USER MOD reduce.3.24.130724 H: found=0, std=0, add=1176, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 1168 hydrogens (33 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 115 GLN : amide:sc= -0.493 X(o=-0.79,f=-0.65!) USER MOD Set 1.2: A 117 TYR OH : rot 180:sc= -0.295 USER MOD Set 2.1: A 98 ASN : amide:sc= 0.96 K(o=0.63,f=-1.9) USER MOD Set 2.2: A 100 ASN : amide:sc= -0.332! C(o=0.63!,f=-5.9!) USER MOD Set 3.1: A 50 LYS NZ :NH3+ 144:sc= 0.209 (180deg=-1.79) USER MOD Set 3.2: A 52 SER OG : rot 180:sc= -0.546 USER MOD Set 3.3: A 57 ASN : amide:sc= -0.929! C(o=-1.3!,f=-22!) USER MOD Set 4.1: A 46 LYS NZ :NH3+ -177:sc= 1.81 (180deg=1.1) USER MOD Set 4.2: A 48 THR OG1 : rot -131:sc= 0.615 USER MOD Set 5.1: A 4 SER OG : rot 70:sc= 0.165 USER MOD Set 5.2: A 130 LYS NZ :NH3+ 166:sc= 0.154 (180deg=0) USER MOD Single : A 0 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 5 THR OG1 : rot -131:sc= -0.984 USER MOD Single : A 7 LYS NZ :NH3+ 171:sc= 1.07 (180deg=0.744) USER MOD Single : A -1 THR OG1 : rot 180:sc= 0 USER MOD Single : A -4 HIS : no HD1:sc=-0.00191 X(o=-0.0019,f=-0.31) USER MOD Single : A -5 HIS : no HD1:sc= -0.262 X(o=-0.26,f=-0.51) USER MOD Single : A -6 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A -7 HIS : no HD1:sc= -0.405 X(o=-0.4,f=-0.53) USER MOD Single : A -8 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A -9 HIS : no HD1:sc= -0.0856 X(o=-0.086,f=-0.26) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 13 ASN : amide:sc= -7.23! K(o=-7.2!,f=-2) USER MOD Single : A 14 TYR OH : rot 166:sc= 0.141 USER MOD Single : A 16 LYS NZ :NH3+ -126:sc= -0.623 (180deg=-1.95!) USER MOD Single : A 18 MET CE :methyl -172:sc= 0 (180deg=-0.113) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 MET CE :methyl 147:sc= -0.546 (180deg=-2.97!) USER MOD Single : A 24 ASN : amide:sc= -1.54 X(o=-1.5,f=-1.6) USER MOD Single : A 27 LYS NZ :NH3+ -154:sc= -0.0603 (180deg=-0.423) USER MOD Single : A 29 LYS NZ :NH3+ -167:sc= -0.0496 (180deg=-0.222) USER MOD Single : A 33 HIS : no HD1:sc= -0.521 K(o=-0.52,f=0.13) USER MOD Single : A 35 ASN : amide:sc= 0.324 X(o=0.32,f=0) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot 41:sc= 1.11 USER MOD Single : A 42 GLN : amide:sc= -1.08 K(o=-1.1,f=-2.8) USER MOD Single : A 45 ASN : amide:sc= -0.97 X(o=-0.97,f=-0.57) USER MOD Single : A 53 SER OG : rot -76:sc= 0.102 USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 ASN : amide:sc= -1.66 K(o=-1.7,f=-6.8!) USER MOD Single : A 70 TYR OH : rot 180:sc= -0.222 USER MOD Single : A 71 ASN : amide:sc= -0.975 X(o=-0.98,f=-1.2) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 THR OG1 : rot -68:sc= -3.39! USER MOD Single : A 83 SER OG : rot -170:sc= -0.0546 USER MOD Single : A 87 ASN : amide:sc= -0.0608 X(o=-0.061,f=-0.0051) USER MOD Single : A 88 LYS NZ :NH3+ 169:sc= 1.22 (180deg=0.897) USER MOD Single : A 92 LYS NZ :NH3+ 171:sc= 1.26 (180deg=1.12) USER MOD Single : A 94 LYS NZ :NH3+ -179:sc= -0.774 (180deg=-0.781) USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A -10 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 ASN : amide:sc= -1.92 K(o=-1.9,f=-2.6!) USER MOD Single : A 104 THR OG1 : rot 143:sc= 0.957 USER MOD Single : A 116 THR OG1 : rot 180:sc= -0.971 USER MOD Single : A 119 TYR OH : rot 180:sc= 0 USER MOD Single : A 125 LYS NZ :NH3+ -136:sc= -0.0767 (180deg=-2.97!) USER MOD Single : A 129 LYS NZ :NH3+ -128:sc= 0.593 (180deg=-0.426) USER MOD Single : A 201 OLA O2 : rot -39:sc= 0.657 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A -10 -46.760 13.417 -6.926 1.00 41.55 N ATOM 2 CA ALA A -10 -46.211 12.314 -7.765 1.00 62.53 C ATOM 3 C ALA A -10 -44.707 12.149 -7.536 1.00 64.32 C ATOM 4 O ALA A -10 -43.922 13.050 -7.842 1.00 33.34 O ATOM 5 CB ALA A -10 -46.497 12.572 -9.238 1.00 3.13 C ATOM 0 H1 ALA A -10 -47.781 13.509 -7.099 1.00 41.55 H new ATOM 0 H2 ALA A -10 -46.597 13.203 -5.921 1.00 41.55 H new ATOM 0 H3 ALA A -10 -46.285 14.309 -7.172 1.00 41.55 H new ATOM 0 HA ALA A -10 -46.704 11.388 -7.470 1.00 62.53 H new ATOM 0 HB1 ALA A -10 -46.089 11.757 -9.836 1.00 3.13 H new ATOM 0 HB2 ALA A -10 -47.574 12.633 -9.394 1.00 3.13 H new ATOM 0 HB3 ALA A -10 -46.033 13.511 -9.540 1.00 3.13 H new ATOM 13 N HIS A -9 -44.313 10.996 -6.990 1.00 45.23 N ATOM 14 CA HIS A -9 -42.903 10.715 -6.714 1.00 2.01 C ATOM 15 C HIS A -9 -42.583 9.225 -6.879 1.00 13.41 C ATOM 16 O HIS A -9 -43.485 8.401 -7.039 1.00 33.13 O ATOM 17 CB HIS A -9 -42.540 11.173 -5.299 1.00 1.42 C ATOM 18 CG HIS A -9 -41.214 11.862 -5.217 1.00 0.42 C ATOM 19 ND1 HIS A -9 -40.856 12.910 -6.038 1.00 24.23 N ATOM 20 CD2 HIS A -9 -40.152 11.645 -4.405 1.00 41.32 C ATOM 21 CE1 HIS A -9 -39.634 13.308 -5.736 1.00 41.11 C ATOM 22 NE2 HIS A -9 -39.185 12.557 -4.748 1.00 52.35 N ATOM 0 H HIS A -9 -44.950 10.243 -6.731 1.00 45.23 H new ATOM 0 HA HIS A -9 -42.306 11.270 -7.438 1.00 2.01 H new ATOM 0 HB2 HIS A -9 -43.314 11.848 -4.934 1.00 1.42 H new ATOM 0 HB3 HIS A -9 -42.533 10.308 -4.636 1.00 1.42 H new ATOM 0 HD2 HIS A -9 -40.079 10.894 -3.632 1.00 41.32 H new ATOM 0 HE1 HIS A -9 -39.094 14.111 -6.216 1.00 41.11 H new ATOM 0 HE2 HIS A -9 -38.268 12.641 -4.310 1.00 52.35 H new ATOM 30 N HIS A -8 -41.287 8.891 -6.841 1.00 40.01 N ATOM 31 CA HIS A -8 -40.833 7.503 -6.990 1.00 51.32 C ATOM 32 C HIS A -8 -39.349 7.368 -6.630 1.00 0.25 C ATOM 33 O HIS A -8 -38.618 8.361 -6.612 1.00 72.14 O ATOM 34 CB HIS A -8 -41.066 7.024 -8.427 1.00 4.02 C ATOM 35 CG HIS A -8 -41.813 5.730 -8.517 1.00 40.21 C ATOM 36 ND1 HIS A -8 -41.205 4.500 -8.384 1.00 71.21 N ATOM 37 CD2 HIS A -8 -43.126 5.476 -8.728 1.00 25.15 C ATOM 38 CE1 HIS A -8 -42.109 3.546 -8.510 1.00 13.51 C ATOM 39 NE2 HIS A -8 -43.283 4.112 -8.719 1.00 4.00 N ATOM 0 H HIS A -8 -40.533 9.565 -6.708 1.00 40.01 H new ATOM 0 HA HIS A -8 -41.410 6.882 -6.305 1.00 51.32 H new ATOM 0 HB2 HIS A -8 -41.618 7.790 -8.971 1.00 4.02 H new ATOM 0 HB3 HIS A -8 -40.102 6.912 -8.924 1.00 4.02 H new ATOM 0 HD2 HIS A -8 -43.905 6.210 -8.876 1.00 25.15 H new ATOM 0 HE1 HIS A -8 -41.920 2.484 -8.452 1.00 13.51 H new ATOM 0 HE2 HIS A -8 -44.164 3.616 -8.852 1.00 4.00 H new ATOM 47 N HIS A -7 -38.905 6.136 -6.348 1.00 0.41 N ATOM 48 CA HIS A -7 -37.503 5.885 -5.991 1.00 40.03 C ATOM 49 C HIS A -7 -37.149 4.393 -6.080 1.00 23.34 C ATOM 50 O HIS A -7 -38.035 3.536 -6.126 1.00 75.22 O ATOM 51 CB HIS A -7 -37.215 6.404 -4.578 1.00 41.13 C ATOM 52 CG HIS A -7 -35.754 6.546 -4.281 1.00 34.40 C ATOM 53 ND1 HIS A -7 -34.884 7.235 -5.098 1.00 44.42 N ATOM 54 CD2 HIS A -7 -35.005 6.070 -3.259 1.00 34.13 C ATOM 55 CE1 HIS A -7 -33.665 7.177 -4.594 1.00 32.30 C ATOM 56 NE2 HIS A -7 -33.709 6.475 -3.477 1.00 25.31 N ATOM 0 H HIS A -7 -39.493 5.302 -6.360 1.00 0.41 H new ATOM 0 HA HIS A -7 -36.882 6.420 -6.710 1.00 40.03 H new ATOM 0 HB2 HIS A -7 -37.700 7.372 -4.449 1.00 41.13 H new ATOM 0 HB3 HIS A -7 -37.661 5.725 -3.852 1.00 41.13 H new ATOM 0 HD2 HIS A -7 -35.360 5.481 -2.426 1.00 34.13 H new ATOM 0 HE1 HIS A -7 -32.782 7.627 -5.023 1.00 32.30 H new ATOM 0 HE2 HIS A -7 -32.913 6.267 -2.875 1.00 25.31 H new ATOM 64 N HIS A -6 -35.839 4.099 -6.098 1.00 12.01 N ATOM 65 CA HIS A -6 -35.339 2.721 -6.175 1.00 45.03 C ATOM 66 C HIS A -6 -34.105 2.537 -5.271 1.00 51.21 C ATOM 67 O HIS A -6 -33.803 3.404 -4.448 1.00 55.12 O ATOM 68 CB HIS A -6 -34.996 2.370 -7.629 1.00 74.24 C ATOM 69 CG HIS A -6 -36.200 2.159 -8.495 1.00 31.35 C ATOM 70 ND1 HIS A -6 -36.644 3.092 -9.406 1.00 4.01 N ATOM 71 CD2 HIS A -6 -37.054 1.112 -8.587 1.00 21.22 C ATOM 72 CE1 HIS A -6 -37.719 2.633 -10.021 1.00 11.51 C ATOM 73 NE2 HIS A -6 -37.989 1.432 -9.543 1.00 13.40 N ATOM 0 H HIS A -6 -35.104 4.805 -6.060 1.00 12.01 H new ATOM 0 HA HIS A -6 -36.120 2.047 -5.823 1.00 45.03 H new ATOM 0 HB2 HIS A -6 -34.389 3.170 -8.054 1.00 74.24 H new ATOM 0 HB3 HIS A -6 -34.387 1.466 -7.642 1.00 74.24 H new ATOM 0 HD2 HIS A -6 -37.009 0.196 -8.016 1.00 21.22 H new ATOM 0 HE1 HIS A -6 -38.281 3.151 -10.784 1.00 11.51 H new ATOM 0 HE2 HIS A -6 -38.765 0.838 -9.835 1.00 13.40 H new ATOM 81 N HIS A -5 -33.396 1.407 -5.419 1.00 52.33 N ATOM 82 CA HIS A -5 -32.205 1.132 -4.602 1.00 44.14 C ATOM 83 C HIS A -5 -31.079 0.493 -5.429 1.00 21.10 C ATOM 84 O HIS A -5 -31.297 0.068 -6.564 1.00 13.21 O ATOM 85 CB HIS A -5 -32.569 0.225 -3.423 1.00 0.53 C ATOM 86 CG HIS A -5 -31.652 0.379 -2.250 1.00 51.34 C ATOM 87 ND1 HIS A -5 -31.224 1.604 -1.783 1.00 31.44 N ATOM 88 CD2 HIS A -5 -31.070 -0.547 -1.452 1.00 3.01 C ATOM 89 CE1 HIS A -5 -30.420 1.426 -0.752 1.00 33.22 C ATOM 90 NE2 HIS A -5 -30.309 0.129 -0.530 1.00 63.34 N ATOM 0 H HIS A -5 -33.625 0.675 -6.091 1.00 52.33 H new ATOM 0 HA HIS A -5 -31.839 2.087 -4.225 1.00 44.14 H new ATOM 0 HB2 HIS A -5 -33.590 0.443 -3.108 1.00 0.53 H new ATOM 0 HB3 HIS A -5 -32.552 -0.813 -3.754 1.00 0.53 H new ATOM 0 HD2 HIS A -5 -31.183 -1.618 -1.527 1.00 3.01 H new ATOM 0 HE1 HIS A -5 -29.935 2.208 -0.186 1.00 33.22 H new ATOM 0 HE2 HIS A -5 -29.749 -0.301 0.206 1.00 63.34 H new ATOM 98 N HIS A -4 -29.872 0.437 -4.848 1.00 60.22 N ATOM 99 CA HIS A -4 -28.702 -0.142 -5.525 1.00 43.42 C ATOM 100 C HIS A -4 -27.766 -0.850 -4.530 1.00 73.41 C ATOM 101 O HIS A -4 -28.145 -1.098 -3.382 1.00 45.34 O ATOM 102 CB HIS A -4 -27.932 0.949 -6.280 1.00 61.51 C ATOM 103 CG HIS A -4 -27.957 2.290 -5.609 1.00 42.01 C ATOM 104 ND1 HIS A -4 -27.695 2.467 -4.267 1.00 32.30 N ATOM 105 CD2 HIS A -4 -28.225 3.523 -6.101 1.00 44.41 C ATOM 106 CE1 HIS A -4 -27.800 3.747 -3.962 1.00 62.32 C ATOM 107 NE2 HIS A -4 -28.121 4.410 -5.058 1.00 43.04 N ATOM 0 H HIS A -4 -29.680 0.786 -3.909 1.00 60.22 H new ATOM 0 HA HIS A -4 -29.065 -0.886 -6.234 1.00 43.42 H new ATOM 0 HB2 HIS A -4 -26.896 0.632 -6.397 1.00 61.51 H new ATOM 0 HB3 HIS A -4 -28.351 1.048 -7.282 1.00 61.51 H new ATOM 0 HD2 HIS A -4 -28.474 3.764 -7.124 1.00 44.41 H new ATOM 0 HE1 HIS A -4 -27.649 4.178 -2.983 1.00 62.32 H new ATOM 0 HE2 HIS A -4 -28.268 5.417 -5.120 1.00 43.04 H new ATOM 115 N VAL A -3 -26.544 -1.181 -4.984 1.00 42.54 N ATOM 116 CA VAL A -3 -25.560 -1.868 -4.141 1.00 0.43 C ATOM 117 C VAL A -3 -24.134 -1.739 -4.710 1.00 41.01 C ATOM 118 O VAL A -3 -23.958 -1.572 -5.919 1.00 53.33 O ATOM 119 CB VAL A -3 -25.928 -3.360 -3.999 1.00 20.50 C ATOM 120 CG1 VAL A -3 -25.695 -4.111 -5.305 1.00 1.30 C ATOM 121 CG2 VAL A -3 -25.156 -4.005 -2.856 1.00 12.22 C ATOM 0 H VAL A -3 -26.218 -0.982 -5.930 1.00 42.54 H new ATOM 0 HA VAL A -3 -25.579 -1.391 -3.161 1.00 0.43 H new ATOM 0 HB VAL A -3 -26.991 -3.420 -3.765 1.00 20.50 H new ATOM 0 HG11 VAL A -3 -25.963 -5.159 -5.175 1.00 1.30 H new ATOM 0 HG12 VAL A -3 -26.311 -3.674 -6.091 1.00 1.30 H new ATOM 0 HG13 VAL A -3 -24.644 -4.037 -5.585 1.00 1.30 H new ATOM 0 HG21 VAL A -3 -25.433 -5.056 -2.777 1.00 12.22 H new ATOM 0 HG22 VAL A -3 -24.086 -3.926 -3.049 1.00 12.22 H new ATOM 0 HG23 VAL A -3 -25.395 -3.496 -1.922 1.00 12.22 H new ATOM 131 N GLY A -2 -23.121 -1.822 -3.830 1.00 51.43 N ATOM 132 CA GLY A -2 -21.733 -1.718 -4.260 1.00 1.55 C ATOM 133 C GLY A -2 -20.862 -2.830 -3.691 1.00 54.31 C ATOM 134 O GLY A -2 -21.325 -3.963 -3.558 1.00 13.10 O ATOM 0 H GLY A -2 -23.245 -1.960 -2.827 1.00 51.43 H new ATOM 0 HA2 GLY A -2 -21.690 -1.748 -5.349 1.00 1.55 H new ATOM 0 HA3 GLY A -2 -21.332 -0.753 -3.952 1.00 1.55 H new ATOM 138 N THR A -1 -19.603 -2.489 -3.348 1.00 4.01 N ATOM 139 CA THR A -1 -18.625 -3.431 -2.777 1.00 63.24 C ATOM 140 C THR A -1 -17.200 -3.074 -3.215 1.00 75.34 C ATOM 141 O THR A -1 -16.846 -3.204 -4.388 1.00 13.20 O ATOM 142 CB THR A -1 -18.914 -4.892 -3.161 1.00 5.43 C ATOM 143 OG1 THR A -1 -17.951 -5.760 -2.581 1.00 71.24 O ATOM 144 CG2 THR A -1 -18.914 -5.139 -4.657 1.00 73.13 C ATOM 0 H THR A -1 -19.236 -1.544 -3.461 1.00 4.01 H new ATOM 0 HA THR A -1 -18.716 -3.340 -1.695 1.00 63.24 H new ATOM 0 HB THR A -1 -19.915 -5.095 -2.781 1.00 5.43 H new ATOM 0 HG1 THR A -1 -18.150 -6.686 -2.834 1.00 71.24 H new ATOM 0 HG21 THR A -1 -19.125 -6.190 -4.852 1.00 73.13 H new ATOM 0 HG22 THR A -1 -19.679 -4.522 -5.128 1.00 73.13 H new ATOM 0 HG23 THR A -1 -17.938 -4.882 -5.068 1.00 73.13 H new ATOM 152 N GLN A 0 -16.389 -2.637 -2.254 1.00 60.44 N ATOM 153 CA GLN A 0 -14.984 -2.273 -2.511 1.00 61.24 C ATOM 154 C GLN A 0 -14.197 -3.462 -3.081 1.00 12.20 C ATOM 155 O GLN A 0 -14.679 -4.597 -3.077 1.00 22.10 O ATOM 156 CB GLN A 0 -14.303 -1.780 -1.227 1.00 71.13 C ATOM 157 CG GLN A 0 -14.761 -0.401 -0.772 1.00 5.53 C ATOM 158 CD GLN A 0 -14.741 -0.253 0.737 1.00 15.54 C ATOM 159 OE1 GLN A 0 -15.783 -0.307 1.391 1.00 60.43 O ATOM 160 NE2 GLN A 0 -13.550 -0.071 1.300 1.00 54.33 N ATOM 0 H GLN A 0 -16.677 -2.523 -1.282 1.00 60.44 H new ATOM 0 HA GLN A 0 -14.987 -1.468 -3.246 1.00 61.24 H new ATOM 0 HB2 GLN A 0 -14.495 -2.497 -0.428 1.00 71.13 H new ATOM 0 HB3 GLN A 0 -13.225 -1.759 -1.385 1.00 71.13 H new ATOM 0 HG2 GLN A 0 -14.117 0.358 -1.217 1.00 5.53 H new ATOM 0 HG3 GLN A 0 -15.771 -0.217 -1.139 1.00 5.53 H new ATOM 0 HE21 GLN A 0 -12.712 -0.033 0.720 1.00 54.33 H new ATOM 0 HE22 GLN A 0 -13.474 0.030 2.312 1.00 54.33 H new ATOM 169 N ALA A 1 -12.986 -3.188 -3.581 1.00 1.21 N ATOM 170 CA ALA A 1 -12.134 -4.229 -4.167 1.00 51.03 C ATOM 171 C ALA A 1 -10.897 -4.528 -3.315 1.00 53.42 C ATOM 172 O ALA A 1 -10.572 -5.691 -3.063 1.00 62.43 O ATOM 173 CB ALA A 1 -11.700 -3.824 -5.573 1.00 43.55 C ATOM 0 H ALA A 1 -12.575 -2.255 -3.591 1.00 1.21 H new ATOM 0 HA ALA A 1 -12.731 -5.140 -4.207 1.00 51.03 H new ATOM 0 HB1 ALA A 1 -11.068 -4.604 -5.998 1.00 43.55 H new ATOM 0 HB2 ALA A 1 -12.581 -3.688 -6.201 1.00 43.55 H new ATOM 0 HB3 ALA A 1 -11.141 -2.890 -5.526 1.00 43.55 H new ATOM 179 N PHE A 2 -10.188 -3.473 -2.913 1.00 12.32 N ATOM 180 CA PHE A 2 -8.952 -3.611 -2.132 1.00 61.12 C ATOM 181 C PHE A 2 -9.178 -4.146 -0.711 1.00 42.03 C ATOM 182 O PHE A 2 -8.257 -4.706 -0.119 1.00 2.02 O ATOM 183 CB PHE A 2 -8.217 -2.267 -2.065 1.00 20.43 C ATOM 184 CG PHE A 2 -7.678 -1.808 -3.394 1.00 25.30 C ATOM 185 CD1 PHE A 2 -8.465 -1.062 -4.257 1.00 54.23 C ATOM 186 CD2 PHE A 2 -6.387 -2.127 -3.781 1.00 43.11 C ATOM 187 CE1 PHE A 2 -7.974 -0.643 -5.479 1.00 4.22 C ATOM 188 CE2 PHE A 2 -5.890 -1.711 -5.002 1.00 23.22 C ATOM 189 CZ PHE A 2 -6.685 -0.968 -5.852 1.00 35.41 C ATOM 0 H PHE A 2 -10.448 -2.508 -3.115 1.00 12.32 H new ATOM 0 HA PHE A 2 -8.345 -4.352 -2.653 1.00 61.12 H new ATOM 0 HB2 PHE A 2 -8.898 -1.509 -1.677 1.00 20.43 H new ATOM 0 HB3 PHE A 2 -7.393 -2.348 -1.356 1.00 20.43 H new ATOM 0 HD1 PHE A 2 -9.474 -0.805 -3.971 1.00 54.23 H new ATOM 0 HD2 PHE A 2 -5.761 -2.708 -3.120 1.00 43.11 H new ATOM 0 HE1 PHE A 2 -8.598 -0.062 -6.142 1.00 4.22 H new ATOM 0 HE2 PHE A 2 -4.881 -1.967 -5.291 1.00 23.22 H new ATOM 0 HZ PHE A 2 -6.299 -0.642 -6.807 1.00 35.41 H new ATOM 199 N ASP A 3 -10.382 -3.961 -0.164 1.00 52.44 N ATOM 200 CA ASP A 3 -10.704 -4.415 1.195 1.00 71.12 C ATOM 201 C ASP A 3 -10.663 -5.948 1.324 1.00 12.10 C ATOM 202 O ASP A 3 -11.706 -6.603 1.390 1.00 13.51 O ATOM 203 CB ASP A 3 -12.084 -3.876 1.611 1.00 72.23 C ATOM 204 CG ASP A 3 -13.225 -4.384 0.739 1.00 2.24 C ATOM 205 OD1 ASP A 3 -13.040 -4.496 -0.492 1.00 42.25 O ATOM 206 OD2 ASP A 3 -14.309 -4.666 1.290 1.00 51.42 O ATOM 0 H ASP A 3 -11.155 -3.498 -0.643 1.00 52.44 H new ATOM 0 HA ASP A 3 -9.940 -4.020 1.865 1.00 71.12 H new ATOM 0 HB2 ASP A 3 -12.277 -4.156 2.647 1.00 72.23 H new ATOM 0 HB3 ASP A 3 -12.066 -2.787 1.573 1.00 72.23 H new ATOM 211 N SER A 4 -9.451 -6.521 1.366 1.00 65.31 N ATOM 212 CA SER A 4 -9.290 -7.970 1.495 1.00 13.01 C ATOM 213 C SER A 4 -8.034 -8.317 2.299 1.00 4.51 C ATOM 214 O SER A 4 -7.447 -7.456 2.954 1.00 13.23 O ATOM 215 CB SER A 4 -9.234 -8.620 0.103 1.00 23.22 C ATOM 216 OG SER A 4 -9.760 -9.941 0.120 1.00 34.23 O ATOM 0 H SER A 4 -8.574 -6.003 1.313 1.00 65.31 H new ATOM 0 HA SER A 4 -10.151 -8.363 2.035 1.00 13.01 H new ATOM 0 HB2 SER A 4 -9.797 -8.013 -0.606 1.00 23.22 H new ATOM 0 HB3 SER A 4 -8.202 -8.643 -0.247 1.00 23.22 H new ATOM 0 HG SER A 4 -10.730 -9.905 0.257 1.00 34.23 H new ATOM 222 N THR A 5 -7.614 -9.580 2.218 1.00 11.40 N ATOM 223 CA THR A 5 -6.415 -10.048 2.905 1.00 54.54 C ATOM 224 C THR A 5 -5.473 -10.693 1.892 1.00 53.03 C ATOM 225 O THR A 5 -5.721 -11.808 1.438 1.00 21.32 O ATOM 226 CB THR A 5 -6.780 -11.053 4.004 1.00 4.00 C ATOM 227 OG1 THR A 5 -7.628 -10.455 4.969 1.00 55.32 O ATOM 228 CG2 THR A 5 -5.576 -11.613 4.734 1.00 64.44 C ATOM 0 H THR A 5 -8.093 -10.301 1.678 1.00 11.40 H new ATOM 0 HA THR A 5 -5.918 -9.198 3.374 1.00 54.54 H new ATOM 0 HB THR A 5 -7.282 -11.872 3.488 1.00 4.00 H new ATOM 0 HG1 THR A 5 -7.283 -10.641 5.867 1.00 55.32 H new ATOM 0 HG21 THR A 5 -5.908 -12.317 5.497 1.00 64.44 H new ATOM 0 HG22 THR A 5 -4.927 -12.127 4.025 1.00 64.44 H new ATOM 0 HG23 THR A 5 -5.026 -10.799 5.206 1.00 64.44 H new ATOM 236 N TRP A 6 -4.404 -9.984 1.524 1.00 12.00 N ATOM 237 CA TRP A 6 -3.450 -10.498 0.545 1.00 43.53 C ATOM 238 C TRP A 6 -2.054 -10.678 1.143 1.00 40.31 C ATOM 239 O TRP A 6 -1.451 -9.732 1.651 1.00 40.14 O ATOM 240 CB TRP A 6 -3.364 -9.589 -0.693 1.00 43.22 C ATOM 241 CG TRP A 6 -4.557 -8.708 -0.932 1.00 0.41 C ATOM 242 CD1 TRP A 6 -5.087 -7.754 -0.110 1.00 72.24 C ATOM 243 CD2 TRP A 6 -5.347 -8.704 -2.108 1.00 1.31 C ATOM 244 NE1 TRP A 6 -6.177 -7.170 -0.715 1.00 3.32 N ATOM 245 CE2 TRP A 6 -6.355 -7.741 -1.947 1.00 51.03 C ATOM 246 CE3 TRP A 6 -5.288 -9.438 -3.279 1.00 31.30 C ATOM 247 CZ2 TRP A 6 -7.307 -7.493 -2.933 1.00 20.11 C ATOM 248 CZ3 TRP A 6 -6.228 -9.200 -4.263 1.00 20.32 C ATOM 249 CH2 TRP A 6 -7.229 -8.233 -4.084 1.00 71.32 C ATOM 0 H TRP A 6 -4.180 -9.058 1.888 1.00 12.00 H new ATOM 0 HA TRP A 6 -3.824 -11.476 0.241 1.00 43.53 H new ATOM 0 HB2 TRP A 6 -2.481 -8.957 -0.598 1.00 43.22 H new ATOM 0 HB3 TRP A 6 -3.215 -10.215 -1.572 1.00 43.22 H new ATOM 0 HD1 TRP A 6 -4.708 -7.497 0.868 1.00 72.24 H new ATOM 0 HE1 TRP A 6 -6.756 -6.434 -0.312 1.00 3.32 H new ATOM 0 HE3 TRP A 6 -4.520 -10.184 -3.422 1.00 31.30 H new ATOM 0 HZ2 TRP A 6 -8.076 -6.747 -2.796 1.00 20.11 H new ATOM 0 HZ3 TRP A 6 -6.192 -9.766 -5.182 1.00 20.32 H new ATOM 0 HH2 TRP A 6 -7.952 -8.069 -4.869 1.00 71.32 H new ATOM 260 N LYS A 7 -1.547 -11.906 1.045 1.00 60.22 N ATOM 261 CA LYS A 7 -0.214 -12.260 1.536 1.00 24.32 C ATOM 262 C LYS A 7 0.781 -12.258 0.383 1.00 55.24 C ATOM 263 O LYS A 7 0.400 -12.502 -0.766 1.00 63.54 O ATOM 264 CB LYS A 7 -0.250 -13.648 2.184 1.00 64.51 C ATOM 265 CG LYS A 7 -0.706 -14.742 1.230 1.00 73.52 C ATOM 266 CD LYS A 7 0.264 -15.914 1.205 1.00 63.34 C ATOM 267 CE LYS A 7 0.242 -16.627 -0.140 1.00 44.11 C ATOM 268 NZ LYS A 7 0.596 -15.712 -1.262 1.00 63.22 N ATOM 0 H LYS A 7 -2.050 -12.686 0.622 1.00 60.22 H new ATOM 0 HA LYS A 7 0.097 -11.525 2.278 1.00 24.32 H new ATOM 0 HB2 LYS A 7 0.744 -13.893 2.559 1.00 64.51 H new ATOM 0 HB3 LYS A 7 -0.919 -13.623 3.045 1.00 64.51 H new ATOM 0 HG2 LYS A 7 -1.694 -15.095 1.527 1.00 73.52 H new ATOM 0 HG3 LYS A 7 -0.804 -14.330 0.226 1.00 73.52 H new ATOM 0 HD2 LYS A 7 1.273 -15.557 1.413 1.00 63.34 H new ATOM 0 HD3 LYS A 7 0.006 -16.618 1.996 1.00 63.34 H new ATOM 0 HE2 LYS A 7 0.942 -17.463 -0.119 1.00 44.11 H new ATOM 0 HE3 LYS A 7 -0.750 -17.046 -0.312 1.00 44.11 H new ATOM 0 HZ1 LYS A 7 0.719 -16.264 -2.135 1.00 63.22 H new ATOM 0 HZ2 LYS A 7 -0.166 -15.017 -1.396 1.00 63.22 H new ATOM 0 HZ3 LYS A 7 1.482 -15.216 -1.039 1.00 63.22 H new ATOM 282 N VAL A 8 2.053 -11.990 0.684 1.00 72.24 N ATOM 283 CA VAL A 8 3.083 -11.969 -0.349 1.00 61.43 C ATOM 284 C VAL A 8 2.982 -13.202 -1.226 1.00 22.33 C ATOM 285 O VAL A 8 3.104 -14.333 -0.752 1.00 12.22 O ATOM 286 CB VAL A 8 4.506 -11.892 0.238 1.00 12.31 C ATOM 287 CG1 VAL A 8 5.543 -12.414 -0.756 1.00 15.10 C ATOM 288 CG2 VAL A 8 4.843 -10.474 0.613 1.00 1.21 C ATOM 0 H VAL A 8 2.390 -11.787 1.625 1.00 72.24 H new ATOM 0 HA VAL A 8 2.909 -11.070 -0.940 1.00 61.43 H new ATOM 0 HB VAL A 8 4.530 -12.519 1.129 1.00 12.31 H new ATOM 0 HG11 VAL A 8 6.537 -12.347 -0.314 1.00 15.10 H new ATOM 0 HG12 VAL A 8 5.323 -13.454 -0.999 1.00 15.10 H new ATOM 0 HG13 VAL A 8 5.509 -11.814 -1.665 1.00 15.10 H new ATOM 0 HG21 VAL A 8 5.851 -10.437 1.026 1.00 1.21 H new ATOM 0 HG22 VAL A 8 4.790 -9.841 -0.273 1.00 1.21 H new ATOM 0 HG23 VAL A 8 4.132 -10.116 1.358 1.00 1.21 H new ATOM 298 N ASP A 9 2.764 -12.971 -2.503 1.00 13.03 N ATOM 299 CA ASP A 9 2.656 -14.047 -3.464 1.00 45.52 C ATOM 300 C ASP A 9 3.922 -14.142 -4.297 1.00 52.21 C ATOM 301 O ASP A 9 4.250 -15.210 -4.816 1.00 1.15 O ATOM 302 CB ASP A 9 1.447 -13.819 -4.359 1.00 72.11 C ATOM 303 CG ASP A 9 0.833 -15.120 -4.848 1.00 25.33 C ATOM 304 OD1 ASP A 9 0.610 -16.028 -4.016 1.00 3.20 O ATOM 305 OD2 ASP A 9 0.573 -15.232 -6.062 1.00 43.25 O ATOM 0 H ASP A 9 2.657 -12.038 -2.902 1.00 13.03 H new ATOM 0 HA ASP A 9 2.527 -14.988 -2.929 1.00 45.52 H new ATOM 0 HB2 ASP A 9 0.696 -13.249 -3.812 1.00 72.11 H new ATOM 0 HB3 ASP A 9 1.743 -13.215 -5.217 1.00 72.11 H new ATOM 310 N ARG A 10 4.622 -13.013 -4.436 1.00 71.31 N ATOM 311 CA ARG A 10 5.842 -12.971 -5.226 1.00 41.02 C ATOM 312 C ARG A 10 6.493 -11.592 -5.174 1.00 34.12 C ATOM 313 O ARG A 10 5.980 -10.672 -4.535 1.00 0.20 O ATOM 314 CB ARG A 10 5.503 -13.309 -6.675 1.00 41.02 C ATOM 315 CG ARG A 10 4.303 -12.514 -7.173 1.00 34.10 C ATOM 316 CD ARG A 10 3.380 -13.325 -8.075 1.00 23.53 C ATOM 317 NE ARG A 10 3.224 -14.708 -7.636 1.00 62.43 N ATOM 318 CZ ARG A 10 2.681 -15.671 -8.384 1.00 74.41 C ATOM 319 NH1 ARG A 10 2.216 -15.400 -9.601 1.00 40.23 N ATOM 320 NH2 ARG A 10 2.590 -16.908 -7.911 1.00 71.31 N ATOM 0 H ARG A 10 4.361 -12.123 -4.012 1.00 71.31 H new ATOM 0 HA ARG A 10 6.545 -13.695 -4.814 1.00 41.02 H new ATOM 0 HB2 ARG A 10 6.365 -13.101 -7.308 1.00 41.02 H new ATOM 0 HB3 ARG A 10 5.294 -14.375 -6.761 1.00 41.02 H new ATOM 0 HG2 ARG A 10 3.736 -12.149 -6.317 1.00 34.10 H new ATOM 0 HG3 ARG A 10 4.656 -11.638 -7.718 1.00 34.10 H new ATOM 0 HD2 ARG A 10 2.401 -12.847 -8.107 1.00 23.53 H new ATOM 0 HD3 ARG A 10 3.773 -13.314 -9.092 1.00 23.53 H new ATOM 0 HE ARG A 10 3.550 -14.954 -6.701 1.00 62.43 H new ATOM 0 HH11 ARG A 10 2.273 -14.450 -9.969 1.00 40.23 H new ATOM 0 HH12 ARG A 10 1.803 -16.142 -10.166 1.00 40.23 H new ATOM 0 HH21 ARG A 10 2.935 -17.123 -6.976 1.00 71.31 H new ATOM 0 HH22 ARG A 10 2.175 -17.643 -8.483 1.00 71.31 H new ATOM 334 N SER A 11 7.622 -11.461 -5.867 1.00 53.11 N ATOM 335 CA SER A 11 8.352 -10.204 -5.928 1.00 4.00 C ATOM 336 C SER A 11 9.193 -10.140 -7.200 1.00 54.52 C ATOM 337 O SER A 11 9.568 -11.175 -7.755 1.00 54.02 O ATOM 338 CB SER A 11 9.244 -10.041 -4.696 1.00 44.14 C ATOM 339 OG SER A 11 10.156 -11.121 -4.576 1.00 42.23 O ATOM 0 H SER A 11 8.051 -12.219 -6.397 1.00 53.11 H new ATOM 0 HA SER A 11 7.630 -9.387 -5.944 1.00 4.00 H new ATOM 0 HB2 SER A 11 9.794 -9.103 -4.764 1.00 44.14 H new ATOM 0 HB3 SER A 11 8.625 -9.983 -3.801 1.00 44.14 H new ATOM 0 HG SER A 11 10.715 -10.991 -3.782 1.00 42.23 H new ATOM 345 N GLU A 12 9.480 -8.925 -7.663 1.00 12.23 N ATOM 346 CA GLU A 12 10.266 -8.734 -8.869 1.00 60.12 C ATOM 347 C GLU A 12 11.242 -7.579 -8.711 1.00 60.42 C ATOM 348 O GLU A 12 10.873 -6.496 -8.251 1.00 61.43 O ATOM 349 CB GLU A 12 9.347 -8.477 -10.060 1.00 64.25 C ATOM 350 CG GLU A 12 8.390 -9.622 -10.337 1.00 53.14 C ATOM 351 CD GLU A 12 6.941 -9.178 -10.378 1.00 60.25 C ATOM 352 OE1 GLU A 12 6.487 -8.538 -9.405 1.00 0.03 O ATOM 353 OE2 GLU A 12 6.259 -9.468 -11.385 1.00 22.13 O ATOM 0 H GLU A 12 9.177 -8.059 -7.216 1.00 12.23 H new ATOM 0 HA GLU A 12 10.839 -9.644 -9.045 1.00 60.12 H new ATOM 0 HB2 GLU A 12 8.773 -7.569 -9.878 1.00 64.25 H new ATOM 0 HB3 GLU A 12 9.955 -8.298 -10.947 1.00 64.25 H new ATOM 0 HG2 GLU A 12 8.651 -10.085 -11.289 1.00 53.14 H new ATOM 0 HG3 GLU A 12 8.510 -10.385 -9.568 1.00 53.14 H new ATOM 360 N ASN A 13 12.485 -7.830 -9.109 1.00 31.20 N ATOM 361 CA ASN A 13 13.555 -6.833 -9.043 1.00 42.23 C ATOM 362 C ASN A 13 14.004 -6.541 -7.602 1.00 61.22 C ATOM 363 O ASN A 13 14.757 -5.595 -7.366 1.00 22.31 O ATOM 364 CB ASN A 13 13.107 -5.536 -9.730 1.00 75.24 C ATOM 365 CG ASN A 13 14.274 -4.659 -10.131 1.00 53.02 C ATOM 366 OD1 ASN A 13 14.754 -4.726 -11.261 1.00 53.23 O ATOM 367 ND2 ASN A 13 14.736 -3.832 -9.205 1.00 4.24 N ATOM 0 H ASN A 13 12.782 -8.730 -9.487 1.00 31.20 H new ATOM 0 HA ASN A 13 14.415 -7.250 -9.566 1.00 42.23 H new ATOM 0 HB2 ASN A 13 12.520 -5.782 -10.615 1.00 75.24 H new ATOM 0 HB3 ASN A 13 12.453 -4.980 -9.058 1.00 75.24 H new ATOM 0 HD21 ASN A 13 15.521 -3.217 -9.417 1.00 4.24 H new ATOM 0 HD22 ASN A 13 14.306 -3.810 -8.280 1.00 4.24 H new ATOM 374 N TYR A 14 13.564 -7.351 -6.639 1.00 43.02 N ATOM 375 CA TYR A 14 13.960 -7.146 -5.243 1.00 4.22 C ATOM 376 C TYR A 14 15.473 -7.239 -5.088 1.00 1.00 C ATOM 377 O TYR A 14 16.064 -6.575 -4.232 1.00 20.22 O ATOM 378 CB TYR A 14 13.303 -8.190 -4.337 1.00 75.13 C ATOM 379 CG TYR A 14 13.035 -7.711 -2.924 1.00 40.31 C ATOM 380 CD1 TYR A 14 12.433 -6.481 -2.685 1.00 44.41 C ATOM 381 CD2 TYR A 14 13.385 -8.493 -1.829 1.00 32.44 C ATOM 382 CE1 TYR A 14 12.188 -6.045 -1.398 1.00 63.31 C ATOM 383 CE2 TYR A 14 13.143 -8.064 -0.537 1.00 42.42 C ATOM 384 CZ TYR A 14 12.544 -6.838 -0.327 1.00 34.41 C ATOM 385 OH TYR A 14 12.297 -6.404 0.956 1.00 23.24 O ATOM 0 H TYR A 14 12.942 -8.144 -6.794 1.00 43.02 H new ATOM 0 HA TYR A 14 13.629 -6.149 -4.951 1.00 4.22 H new ATOM 0 HB2 TYR A 14 12.361 -8.503 -4.787 1.00 75.13 H new ATOM 0 HB3 TYR A 14 13.943 -9.071 -4.294 1.00 75.13 H new ATOM 0 HD1 TYR A 14 12.152 -5.856 -3.520 1.00 44.41 H new ATOM 0 HD2 TYR A 14 13.854 -9.452 -1.990 1.00 32.44 H new ATOM 0 HE1 TYR A 14 11.719 -5.087 -1.231 1.00 63.31 H new ATOM 0 HE2 TYR A 14 13.421 -8.684 0.303 1.00 42.42 H new ATOM 0 HH TYR A 14 12.394 -7.154 1.579 1.00 23.24 H new ATOM 395 N ASP A 15 16.082 -8.084 -5.917 1.00 23.35 N ATOM 396 CA ASP A 15 17.520 -8.305 -5.894 1.00 72.42 C ATOM 397 C ASP A 15 18.300 -6.992 -5.786 1.00 14.04 C ATOM 398 O ASP A 15 19.144 -6.840 -4.900 1.00 21.24 O ATOM 399 CB ASP A 15 17.956 -9.079 -7.145 1.00 2.15 C ATOM 400 CG ASP A 15 17.306 -8.563 -8.418 1.00 40.42 C ATOM 401 OD1 ASP A 15 16.179 -9.003 -8.732 1.00 21.43 O ATOM 402 OD2 ASP A 15 17.921 -7.717 -9.099 1.00 0.44 O ATOM 0 H ASP A 15 15.590 -8.633 -6.622 1.00 23.35 H new ATOM 0 HA ASP A 15 17.747 -8.895 -5.006 1.00 72.42 H new ATOM 0 HB2 ASP A 15 19.040 -9.016 -7.245 1.00 2.15 H new ATOM 0 HB3 ASP A 15 17.708 -10.133 -7.018 1.00 2.15 H new ATOM 407 N LYS A 16 18.018 -6.049 -6.688 1.00 23.40 N ATOM 408 CA LYS A 16 18.703 -4.758 -6.685 1.00 32.21 C ATOM 409 C LYS A 16 18.237 -3.878 -5.528 1.00 43.24 C ATOM 410 O LYS A 16 19.055 -3.239 -4.873 1.00 11.02 O ATOM 411 CB LYS A 16 18.484 -4.023 -8.011 1.00 74.53 C ATOM 412 CG LYS A 16 19.601 -3.043 -8.352 1.00 53.44 C ATOM 413 CD LYS A 16 20.817 -3.749 -8.942 1.00 13.01 C ATOM 414 CE LYS A 16 20.450 -4.609 -10.146 1.00 5.42 C ATOM 415 NZ LYS A 16 20.168 -6.025 -9.764 1.00 13.00 N ATOM 0 H LYS A 16 17.323 -6.156 -7.426 1.00 23.40 H new ATOM 0 HA LYS A 16 19.767 -4.959 -6.558 1.00 32.21 H new ATOM 0 HB2 LYS A 16 18.396 -4.755 -8.813 1.00 74.53 H new ATOM 0 HB3 LYS A 16 17.538 -3.483 -7.967 1.00 74.53 H new ATOM 0 HG2 LYS A 16 19.231 -2.303 -9.062 1.00 53.44 H new ATOM 0 HG3 LYS A 16 19.896 -2.502 -7.453 1.00 53.44 H new ATOM 0 HD2 LYS A 16 21.558 -3.007 -9.239 1.00 13.01 H new ATOM 0 HD3 LYS A 16 21.280 -4.374 -8.178 1.00 13.01 H new ATOM 0 HE2 LYS A 16 19.574 -4.186 -10.639 1.00 5.42 H new ATOM 0 HE3 LYS A 16 21.265 -4.585 -10.869 1.00 5.42 H new ATOM 0 HZ1 LYS A 16 20.762 -6.663 -10.331 1.00 13.00 H new ATOM 0 HZ2 LYS A 16 20.380 -6.161 -8.755 1.00 13.00 H new ATOM 0 HZ3 LYS A 16 19.165 -6.239 -9.939 1.00 13.00 H new ATOM 429 N PHE A 17 16.924 -3.840 -5.286 1.00 21.32 N ATOM 430 CA PHE A 17 16.356 -3.022 -4.206 1.00 53.14 C ATOM 431 C PHE A 17 17.100 -3.242 -2.884 1.00 54.05 C ATOM 432 O PHE A 17 17.369 -2.287 -2.154 1.00 22.43 O ATOM 433 CB PHE A 17 14.861 -3.324 -4.034 1.00 53.54 C ATOM 434 CG PHE A 17 14.216 -2.611 -2.871 1.00 63.54 C ATOM 435 CD1 PHE A 17 13.835 -1.277 -2.970 1.00 14.05 C ATOM 436 CD2 PHE A 17 13.984 -3.280 -1.679 1.00 2.03 C ATOM 437 CE1 PHE A 17 13.239 -0.632 -1.903 1.00 5.21 C ATOM 438 CE2 PHE A 17 13.387 -2.637 -0.611 1.00 31.31 C ATOM 439 CZ PHE A 17 13.015 -1.312 -0.723 1.00 2.31 C ATOM 0 H PHE A 17 16.233 -4.365 -5.822 1.00 21.32 H new ATOM 0 HA PHE A 17 16.475 -1.975 -4.485 1.00 53.14 H new ATOM 0 HB2 PHE A 17 14.338 -3.048 -4.950 1.00 53.54 H new ATOM 0 HB3 PHE A 17 14.731 -4.398 -3.904 1.00 53.54 H new ATOM 0 HD1 PHE A 17 14.007 -0.739 -3.891 1.00 14.05 H new ATOM 0 HD2 PHE A 17 14.273 -4.316 -1.584 1.00 2.03 H new ATOM 0 HE1 PHE A 17 12.948 0.404 -1.992 1.00 5.21 H new ATOM 0 HE2 PHE A 17 13.211 -3.171 0.311 1.00 31.31 H new ATOM 0 HZ PHE A 17 12.550 -0.809 0.111 1.00 2.31 H new ATOM 449 N MET A 18 17.437 -4.499 -2.586 1.00 12.41 N ATOM 450 CA MET A 18 18.157 -4.829 -1.356 1.00 32.52 C ATOM 451 C MET A 18 19.628 -4.440 -1.468 1.00 1.44 C ATOM 452 O MET A 18 20.146 -3.692 -0.637 1.00 55.44 O ATOM 453 CB MET A 18 18.039 -6.324 -1.045 1.00 14.21 C ATOM 454 CG MET A 18 16.609 -6.799 -0.844 1.00 20.12 C ATOM 455 SD MET A 18 16.523 -8.466 -0.162 1.00 35.30 S ATOM 456 CE MET A 18 17.191 -9.424 -1.522 1.00 2.42 C ATOM 0 H MET A 18 17.223 -5.302 -3.178 1.00 12.41 H new ATOM 0 HA MET A 18 17.705 -4.262 -0.542 1.00 32.52 H new ATOM 0 HB2 MET A 18 18.489 -6.891 -1.860 1.00 14.21 H new ATOM 0 HB3 MET A 18 18.615 -6.545 -0.146 1.00 14.21 H new ATOM 0 HG2 MET A 18 16.091 -6.110 -0.177 1.00 20.12 H new ATOM 0 HG3 MET A 18 16.084 -6.773 -1.799 1.00 20.12 H new ATOM 0 HE1 MET A 18 17.072 -10.487 -1.311 1.00 2.42 H new ATOM 0 HE2 MET A 18 16.658 -9.174 -2.439 1.00 2.42 H new ATOM 0 HE3 MET A 18 18.250 -9.194 -1.644 1.00 2.42 H new ATOM 466 N GLU A 19 20.293 -4.954 -2.502 1.00 33.14 N ATOM 467 CA GLU A 19 21.707 -4.665 -2.730 1.00 12.13 C ATOM 468 C GLU A 19 21.964 -3.157 -2.783 1.00 73.11 C ATOM 469 O GLU A 19 22.975 -2.679 -2.266 1.00 14.15 O ATOM 470 CB GLU A 19 22.181 -5.319 -4.030 1.00 43.55 C ATOM 471 CG GLU A 19 22.042 -6.834 -4.033 1.00 64.34 C ATOM 472 CD GLU A 19 23.359 -7.541 -4.278 1.00 11.02 C ATOM 473 OE1 GLU A 19 24.261 -7.427 -3.422 1.00 42.41 O ATOM 474 OE2 GLU A 19 23.486 -8.211 -5.324 1.00 3.41 O ATOM 0 H GLU A 19 19.874 -5.573 -3.196 1.00 33.14 H new ATOM 0 HA GLU A 19 22.270 -5.079 -1.894 1.00 12.13 H new ATOM 0 HB2 GLU A 19 21.611 -4.908 -4.863 1.00 43.55 H new ATOM 0 HB3 GLU A 19 23.226 -5.058 -4.199 1.00 43.55 H new ATOM 0 HG2 GLU A 19 21.632 -7.159 -3.077 1.00 64.34 H new ATOM 0 HG3 GLU A 19 21.328 -7.128 -4.802 1.00 64.34 H new ATOM 481 N LYS A 20 21.041 -2.418 -3.409 1.00 34.31 N ATOM 482 CA LYS A 20 21.151 -0.965 -3.538 1.00 75.12 C ATOM 483 C LYS A 20 21.452 -0.306 -2.201 1.00 52.41 C ATOM 484 O LYS A 20 22.480 0.355 -2.044 1.00 0.31 O ATOM 485 CB LYS A 20 19.858 -0.386 -4.101 1.00 1.30 C ATOM 486 CG LYS A 20 20.082 0.830 -4.970 1.00 71.41 C ATOM 487 CD LYS A 20 19.372 0.678 -6.297 1.00 42.03 C ATOM 488 CE LYS A 20 19.943 1.615 -7.341 1.00 31.24 C ATOM 489 NZ LYS A 20 20.996 0.956 -8.165 1.00 51.13 N ATOM 0 H LYS A 20 20.202 -2.810 -3.837 1.00 34.31 H new ATOM 0 HA LYS A 20 21.977 -0.760 -4.219 1.00 75.12 H new ATOM 0 HB2 LYS A 20 19.347 -1.153 -4.684 1.00 1.30 H new ATOM 0 HB3 LYS A 20 19.197 -0.119 -3.276 1.00 1.30 H new ATOM 0 HG2 LYS A 20 19.719 1.721 -4.458 1.00 71.41 H new ATOM 0 HG3 LYS A 20 21.150 0.972 -5.137 1.00 71.41 H new ATOM 0 HD2 LYS A 20 19.461 -0.352 -6.643 1.00 42.03 H new ATOM 0 HD3 LYS A 20 18.309 0.880 -6.167 1.00 42.03 H new ATOM 0 HE2 LYS A 20 19.141 1.966 -7.990 1.00 31.24 H new ATOM 0 HE3 LYS A 20 20.363 2.493 -6.850 1.00 31.24 H new ATOM 0 HZ1 LYS A 20 21.361 1.631 -8.867 1.00 51.13 H new ATOM 0 HZ2 LYS A 20 21.774 0.643 -7.549 1.00 51.13 H new ATOM 0 HZ3 LYS A 20 20.590 0.133 -8.654 1.00 51.13 H new ATOM 503 N MET A 21 20.543 -0.488 -1.244 1.00 1.05 N ATOM 504 CA MET A 21 20.702 0.090 0.085 1.00 41.22 C ATOM 505 C MET A 21 21.990 -0.402 0.748 1.00 13.10 C ATOM 506 O MET A 21 22.586 0.302 1.566 1.00 1.00 O ATOM 507 CB MET A 21 19.495 -0.249 0.963 1.00 53.53 C ATOM 508 CG MET A 21 18.347 0.737 0.821 1.00 51.42 C ATOM 509 SD MET A 21 17.338 0.422 -0.639 1.00 13.44 S ATOM 510 CE MET A 21 15.698 0.731 0.008 1.00 34.41 C ATOM 0 H MET A 21 19.689 -1.032 -1.367 1.00 1.05 H new ATOM 0 HA MET A 21 20.766 1.173 -0.025 1.00 41.22 H new ATOM 0 HB2 MET A 21 19.140 -1.248 0.709 1.00 53.53 H new ATOM 0 HB3 MET A 21 19.811 -0.279 2.006 1.00 53.53 H new ATOM 0 HG2 MET A 21 17.718 0.687 1.710 1.00 51.42 H new ATOM 0 HG3 MET A 21 18.747 1.750 0.770 1.00 51.42 H new ATOM 0 HE1 MET A 21 15.070 1.150 -0.778 1.00 34.41 H new ATOM 0 HE2 MET A 21 15.263 -0.205 0.360 1.00 34.41 H new ATOM 0 HE3 MET A 21 15.761 1.436 0.837 1.00 34.41 H new ATOM 520 N GLY A 22 22.410 -1.616 0.386 1.00 11.42 N ATOM 521 CA GLY A 22 23.625 -2.191 0.949 1.00 24.52 C ATOM 522 C GLY A 22 23.334 -3.254 1.993 1.00 42.12 C ATOM 523 O GLY A 22 24.078 -3.393 2.963 1.00 14.01 O ATOM 0 H GLY A 22 21.930 -2.212 -0.288 1.00 11.42 H new ATOM 0 HA2 GLY A 22 24.222 -2.627 0.148 1.00 24.52 H new ATOM 0 HA3 GLY A 22 24.224 -1.399 1.398 1.00 24.52 H new ATOM 527 N VAL A 23 22.240 -3.993 1.800 1.00 74.24 N ATOM 528 CA VAL A 23 21.829 -5.039 2.734 1.00 22.24 C ATOM 529 C VAL A 23 22.764 -6.253 2.679 1.00 4.44 C ATOM 530 O VAL A 23 23.185 -6.685 1.604 1.00 54.54 O ATOM 531 CB VAL A 23 20.377 -5.490 2.449 1.00 62.42 C ATOM 532 CG1 VAL A 23 19.898 -6.485 3.495 1.00 63.14 C ATOM 533 CG2 VAL A 23 19.442 -4.289 2.394 1.00 52.34 C ATOM 0 H VAL A 23 21.619 -3.884 0.998 1.00 74.24 H new ATOM 0 HA VAL A 23 21.884 -4.611 3.735 1.00 22.24 H new ATOM 0 HB VAL A 23 20.366 -5.985 1.478 1.00 62.42 H new ATOM 0 HG11 VAL A 23 18.875 -6.785 3.270 1.00 63.14 H new ATOM 0 HG12 VAL A 23 20.544 -7.363 3.485 1.00 63.14 H new ATOM 0 HG13 VAL A 23 19.932 -6.021 4.481 1.00 63.14 H new ATOM 0 HG21 VAL A 23 18.426 -4.628 2.193 1.00 52.34 H new ATOM 0 HG22 VAL A 23 19.467 -3.764 3.349 1.00 52.34 H new ATOM 0 HG23 VAL A 23 19.763 -3.614 1.601 1.00 52.34 H new ATOM 543 N ASN A 24 23.078 -6.791 3.860 1.00 11.41 N ATOM 544 CA ASN A 24 23.956 -7.951 3.996 1.00 23.14 C ATOM 545 C ASN A 24 23.206 -9.255 3.716 1.00 0.10 C ATOM 546 O ASN A 24 21.983 -9.311 3.823 1.00 72.22 O ATOM 547 CB ASN A 24 24.539 -7.965 5.404 1.00 54.24 C ATOM 548 CG ASN A 24 25.347 -9.204 5.683 1.00 14.23 C ATOM 549 OD1 ASN A 24 26.317 -9.502 4.987 1.00 55.42 O ATOM 550 ND2 ASN A 24 24.949 -9.937 6.703 1.00 33.20 N ATOM 0 H ASN A 24 22.729 -6.433 4.749 1.00 11.41 H new ATOM 0 HA ASN A 24 24.758 -7.875 3.262 1.00 23.14 H new ATOM 0 HB2 ASN A 24 25.169 -7.086 5.541 1.00 54.24 H new ATOM 0 HB3 ASN A 24 23.729 -7.893 6.130 1.00 54.24 H new ATOM 0 HD21 ASN A 24 25.451 -10.791 6.944 1.00 33.20 H new ATOM 0 HD22 ASN A 24 24.139 -9.650 7.252 1.00 33.20 H new ATOM 557 N ILE A 25 23.954 -10.301 3.355 1.00 54.42 N ATOM 558 CA ILE A 25 23.373 -11.613 3.054 1.00 72.22 C ATOM 559 C ILE A 25 22.396 -12.072 4.143 1.00 12.24 C ATOM 560 O ILE A 25 21.305 -12.555 3.839 1.00 42.11 O ATOM 561 CB ILE A 25 24.475 -12.682 2.867 1.00 13.12 C ATOM 562 CG1 ILE A 25 23.855 -14.037 2.507 1.00 61.22 C ATOM 563 CG2 ILE A 25 25.339 -12.797 4.117 1.00 44.35 C ATOM 564 CD1 ILE A 25 24.869 -15.074 2.073 1.00 52.24 C ATOM 0 H ILE A 25 24.969 -10.264 3.264 1.00 54.42 H new ATOM 0 HA ILE A 25 22.820 -11.501 2.122 1.00 72.22 H new ATOM 0 HB ILE A 25 25.116 -12.369 2.043 1.00 13.12 H new ATOM 0 HG12 ILE A 25 23.307 -14.416 3.369 1.00 61.22 H new ATOM 0 HG13 ILE A 25 23.130 -13.893 1.706 1.00 61.22 H new ATOM 0 HG21 ILE A 25 26.106 -13.555 3.960 1.00 44.35 H new ATOM 0 HG22 ILE A 25 25.813 -11.837 4.321 1.00 44.35 H new ATOM 0 HG23 ILE A 25 24.716 -13.081 4.965 1.00 44.35 H new ATOM 0 HD11 ILE A 25 24.357 -16.006 1.834 1.00 52.24 H new ATOM 0 HD12 ILE A 25 25.401 -14.716 1.191 1.00 52.24 H new ATOM 0 HD13 ILE A 25 25.581 -15.247 2.880 1.00 52.24 H new ATOM 576 N VAL A 26 22.790 -11.908 5.406 1.00 2.11 N ATOM 577 CA VAL A 26 21.941 -12.298 6.539 1.00 13.11 C ATOM 578 C VAL A 26 20.698 -11.413 6.600 1.00 2.32 C ATOM 579 O VAL A 26 19.581 -11.897 6.813 1.00 72.11 O ATOM 580 CB VAL A 26 22.697 -12.201 7.884 1.00 65.13 C ATOM 581 CG1 VAL A 26 21.818 -12.673 9.033 1.00 20.43 C ATOM 582 CG2 VAL A 26 23.992 -13.002 7.838 1.00 61.24 C ATOM 0 H VAL A 26 23.690 -11.509 5.673 1.00 2.11 H new ATOM 0 HA VAL A 26 21.651 -13.337 6.381 1.00 13.11 H new ATOM 0 HB VAL A 26 22.949 -11.154 8.053 1.00 65.13 H new ATOM 0 HG11 VAL A 26 22.371 -12.596 9.969 1.00 20.43 H new ATOM 0 HG12 VAL A 26 20.924 -12.051 9.087 1.00 20.43 H new ATOM 0 HG13 VAL A 26 21.528 -13.711 8.867 1.00 20.43 H new ATOM 0 HG21 VAL A 26 24.506 -12.918 8.796 1.00 61.24 H new ATOM 0 HG22 VAL A 26 23.765 -14.049 7.638 1.00 61.24 H new ATOM 0 HG23 VAL A 26 24.633 -12.612 7.047 1.00 61.24 H new ATOM 592 N LYS A 27 20.905 -10.118 6.388 1.00 23.21 N ATOM 593 CA LYS A 27 19.822 -9.146 6.393 1.00 0.55 C ATOM 594 C LYS A 27 18.883 -9.386 5.208 1.00 35.41 C ATOM 595 O LYS A 27 17.671 -9.196 5.317 1.00 2.44 O ATOM 596 CB LYS A 27 20.403 -7.730 6.343 1.00 75.22 C ATOM 597 CG LYS A 27 21.255 -7.376 7.555 1.00 2.03 C ATOM 598 CD LYS A 27 20.483 -7.537 8.858 1.00 3.04 C ATOM 599 CE LYS A 27 20.534 -6.270 9.700 1.00 63.21 C ATOM 600 NZ LYS A 27 21.932 -5.820 9.963 1.00 32.42 N ATOM 0 H LYS A 27 21.825 -9.715 6.209 1.00 23.21 H new ATOM 0 HA LYS A 27 19.244 -9.259 7.310 1.00 0.55 H new ATOM 0 HB2 LYS A 27 21.007 -7.626 5.442 1.00 75.22 H new ATOM 0 HB3 LYS A 27 19.585 -7.014 6.263 1.00 75.22 H new ATOM 0 HG2 LYS A 27 22.139 -8.013 7.576 1.00 2.03 H new ATOM 0 HG3 LYS A 27 21.605 -6.348 7.465 1.00 2.03 H new ATOM 0 HD2 LYS A 27 19.445 -7.787 8.638 1.00 3.04 H new ATOM 0 HD3 LYS A 27 20.898 -8.369 9.427 1.00 3.04 H new ATOM 0 HE2 LYS A 27 19.989 -5.476 9.190 1.00 63.21 H new ATOM 0 HE3 LYS A 27 20.027 -6.446 10.649 1.00 63.21 H new ATOM 0 HZ1 LYS A 27 21.959 -5.270 10.845 1.00 32.42 H new ATOM 0 HZ2 LYS A 27 22.553 -6.650 10.053 1.00 32.42 H new ATOM 0 HZ3 LYS A 27 22.260 -5.227 9.174 1.00 32.42 H new ATOM 614 N ARG A 28 19.454 -9.824 4.082 1.00 35.42 N ATOM 615 CA ARG A 28 18.675 -10.115 2.882 1.00 73.41 C ATOM 616 C ARG A 28 17.925 -11.442 3.026 1.00 21.31 C ATOM 617 O ARG A 28 16.983 -11.709 2.281 1.00 20.24 O ATOM 618 CB ARG A 28 19.586 -10.178 1.646 1.00 14.03 C ATOM 619 CG ARG A 28 20.265 -8.859 1.300 1.00 43.03 C ATOM 620 CD ARG A 28 21.446 -9.055 0.357 1.00 43.33 C ATOM 621 NE ARG A 28 21.210 -10.121 -0.623 1.00 51.53 N ATOM 622 CZ ARG A 28 22.082 -11.096 -0.911 1.00 40.33 C ATOM 623 NH1 ARG A 28 23.278 -11.137 -0.326 1.00 72.33 N ATOM 624 NH2 ARG A 28 21.759 -12.028 -1.801 1.00 53.35 N ATOM 0 H ARG A 28 20.456 -9.984 3.980 1.00 35.42 H new ATOM 0 HA ARG A 28 17.951 -9.310 2.755 1.00 73.41 H new ATOM 0 HB2 ARG A 28 20.352 -10.935 1.812 1.00 14.03 H new ATOM 0 HB3 ARG A 28 18.995 -10.505 0.790 1.00 14.03 H new ATOM 0 HG2 ARG A 28 19.540 -8.188 0.839 1.00 43.03 H new ATOM 0 HG3 ARG A 28 20.608 -8.377 2.215 1.00 43.03 H new ATOM 0 HD2 ARG A 28 21.647 -8.121 -0.168 1.00 43.33 H new ATOM 0 HD3 ARG A 28 22.337 -9.291 0.939 1.00 43.33 H new ATOM 0 HE ARG A 28 20.319 -10.120 -1.120 1.00 51.53 H new ATOM 0 HH11 ARG A 28 23.540 -10.420 0.351 1.00 72.33 H new ATOM 0 HH12 ARG A 28 23.932 -11.885 -0.555 1.00 72.33 H new ATOM 0 HH21 ARG A 28 20.850 -11.999 -2.262 1.00 53.35 H new ATOM 0 HH22 ARG A 28 22.420 -12.772 -2.023 1.00 53.35 H new ATOM 638 N LYS A 29 18.355 -12.277 3.977 1.00 42.34 N ATOM 639 CA LYS A 29 17.729 -13.576 4.198 1.00 71.22 C ATOM 640 C LYS A 29 16.334 -13.440 4.799 1.00 43.34 C ATOM 641 O LYS A 29 15.378 -14.008 4.272 1.00 45.01 O ATOM 642 CB LYS A 29 18.601 -14.449 5.105 1.00 55.42 C ATOM 643 CG LYS A 29 19.778 -15.094 4.387 1.00 13.50 C ATOM 644 CD LYS A 29 19.512 -16.557 4.056 1.00 64.11 C ATOM 645 CE LYS A 29 19.200 -17.380 5.301 1.00 44.41 C ATOM 646 NZ LYS A 29 20.206 -17.173 6.381 1.00 25.21 N ATOM 0 H LYS A 29 19.134 -12.073 4.604 1.00 42.34 H new ATOM 0 HA LYS A 29 17.631 -14.054 3.223 1.00 71.22 H new ATOM 0 HB2 LYS A 29 18.978 -13.840 5.927 1.00 55.42 H new ATOM 0 HB3 LYS A 29 17.982 -15.231 5.545 1.00 55.42 H new ATOM 0 HG2 LYS A 29 19.986 -14.546 3.468 1.00 13.50 H new ATOM 0 HG3 LYS A 29 20.668 -15.020 5.011 1.00 13.50 H new ATOM 0 HD2 LYS A 29 18.677 -16.624 3.359 1.00 64.11 H new ATOM 0 HD3 LYS A 29 20.382 -16.978 3.552 1.00 64.11 H new ATOM 0 HE2 LYS A 29 18.211 -17.112 5.672 1.00 44.41 H new ATOM 0 HE3 LYS A 29 19.166 -18.437 5.036 1.00 44.41 H new ATOM 0 HZ1 LYS A 29 20.086 -17.903 7.112 1.00 25.21 H new ATOM 0 HZ2 LYS A 29 21.164 -17.239 5.981 1.00 25.21 H new ATOM 0 HZ3 LYS A 29 20.072 -16.233 6.805 1.00 25.21 H new ATOM 660 N LEU A 30 16.204 -12.702 5.906 1.00 0.04 N ATOM 661 CA LEU A 30 14.895 -12.550 6.534 1.00 2.32 C ATOM 662 C LEU A 30 14.053 -11.452 5.891 1.00 0.13 C ATOM 663 O LEU A 30 12.824 -11.532 5.905 1.00 63.51 O ATOM 664 CB LEU A 30 14.989 -12.319 8.029 1.00 20.41 C ATOM 665 CG LEU A 30 16.099 -11.411 8.529 1.00 54.54 C ATOM 666 CD1 LEU A 30 16.010 -10.051 7.872 1.00 34.44 C ATOM 667 CD2 LEU A 30 15.977 -11.284 10.027 1.00 24.21 C ATOM 0 H LEU A 30 16.968 -12.214 6.373 1.00 0.04 H new ATOM 0 HA LEU A 30 14.391 -13.502 6.367 1.00 2.32 H new ATOM 0 HB2 LEU A 30 14.038 -11.905 8.366 1.00 20.41 H new ATOM 0 HB3 LEU A 30 15.104 -13.289 8.513 1.00 20.41 H new ATOM 0 HG LEU A 30 17.068 -11.840 8.273 1.00 54.54 H new ATOM 0 HD11 LEU A 30 16.813 -9.415 8.243 1.00 34.44 H new ATOM 0 HD12 LEU A 30 16.104 -10.162 6.792 1.00 34.44 H new ATOM 0 HD13 LEU A 30 15.048 -9.595 8.107 1.00 34.44 H new ATOM 0 HD21 LEU A 30 16.768 -10.634 10.403 1.00 24.21 H new ATOM 0 HD22 LEU A 30 15.006 -10.857 10.278 1.00 24.21 H new ATOM 0 HD23 LEU A 30 16.069 -12.269 10.484 1.00 24.21 H new ATOM 679 N ALA A 31 14.702 -10.437 5.319 1.00 13.00 N ATOM 680 CA ALA A 31 13.979 -9.348 4.666 1.00 53.21 C ATOM 681 C ALA A 31 13.446 -9.784 3.298 1.00 45.35 C ATOM 682 O ALA A 31 12.700 -9.043 2.655 1.00 64.14 O ATOM 683 CB ALA A 31 14.867 -8.122 4.530 1.00 32.31 C ATOM 0 H ALA A 31 15.718 -10.347 5.295 1.00 13.00 H new ATOM 0 HA ALA A 31 13.125 -9.087 5.292 1.00 53.21 H new ATOM 0 HB1 ALA A 31 14.311 -7.322 4.041 1.00 32.31 H new ATOM 0 HB2 ALA A 31 15.185 -7.791 5.519 1.00 32.31 H new ATOM 0 HB3 ALA A 31 15.743 -8.372 3.932 1.00 32.31 H new ATOM 689 N ALA A 32 13.825 -10.995 2.870 1.00 21.43 N ATOM 690 CA ALA A 32 13.375 -11.549 1.591 1.00 31.20 C ATOM 691 C ALA A 32 12.313 -12.622 1.825 1.00 72.33 C ATOM 692 O ALA A 32 11.347 -12.734 1.068 1.00 61.14 O ATOM 693 CB ALA A 32 14.548 -12.125 0.814 1.00 2.52 C ATOM 0 H ALA A 32 14.445 -11.611 3.395 1.00 21.43 H new ATOM 0 HA ALA A 32 12.936 -10.744 1.001 1.00 31.20 H new ATOM 0 HB1 ALA A 32 14.193 -12.532 -0.133 1.00 2.52 H new ATOM 0 HB2 ALA A 32 15.278 -11.339 0.620 1.00 2.52 H new ATOM 0 HB3 ALA A 32 15.016 -12.918 1.397 1.00 2.52 H new ATOM 699 N HIS A 33 12.496 -13.392 2.900 1.00 43.24 N ATOM 700 CA HIS A 33 11.563 -14.444 3.281 1.00 1.23 C ATOM 701 C HIS A 33 10.866 -14.044 4.580 1.00 61.14 C ATOM 702 O HIS A 33 10.692 -14.855 5.493 1.00 14.32 O ATOM 703 CB HIS A 33 12.299 -15.777 3.453 1.00 41.43 C ATOM 704 CG HIS A 33 13.137 -16.158 2.270 1.00 14.22 C ATOM 705 ND1 HIS A 33 12.663 -16.924 1.228 1.00 52.35 N ATOM 706 CD2 HIS A 33 14.426 -15.870 1.965 1.00 0.13 C ATOM 707 CE1 HIS A 33 13.620 -17.095 0.336 1.00 13.42 C ATOM 708 NE2 HIS A 33 14.701 -16.464 0.758 1.00 43.33 N ATOM 0 H HIS A 33 13.295 -13.301 3.527 1.00 43.24 H new ATOM 0 HA HIS A 33 10.818 -14.572 2.495 1.00 1.23 H new ATOM 0 HB2 HIS A 33 12.936 -15.719 4.335 1.00 41.43 H new ATOM 0 HB3 HIS A 33 11.568 -16.564 3.639 1.00 41.43 H new ATOM 0 HD2 HIS A 33 15.109 -15.283 2.560 1.00 0.13 H new ATOM 0 HE1 HIS A 33 13.534 -17.656 -0.583 1.00 13.42 H new ATOM 0 HE2 HIS A 33 15.594 -16.424 0.267 1.00 43.33 H new ATOM 716 N ASP A 34 10.493 -12.766 4.656 1.00 42.54 N ATOM 717 CA ASP A 34 9.838 -12.213 5.829 1.00 52.21 C ATOM 718 C ASP A 34 8.409 -12.741 5.980 1.00 21.13 C ATOM 719 O ASP A 34 7.880 -12.782 7.091 1.00 71.41 O ATOM 720 CB ASP A 34 9.862 -10.679 5.746 1.00 1.33 C ATOM 721 CG ASP A 34 8.534 -10.080 5.306 1.00 71.54 C ATOM 722 OD1 ASP A 34 8.263 -10.075 4.086 1.00 32.42 O ATOM 723 OD2 ASP A 34 7.766 -9.622 6.175 1.00 31.20 O ATOM 0 H ASP A 34 10.639 -12.091 3.905 1.00 42.54 H new ATOM 0 HA ASP A 34 10.382 -12.531 6.718 1.00 52.21 H new ATOM 0 HB2 ASP A 34 10.130 -10.273 6.721 1.00 1.33 H new ATOM 0 HB3 ASP A 34 10.641 -10.372 5.048 1.00 1.33 H new ATOM 728 N ASN A 35 7.789 -13.137 4.860 1.00 41.03 N ATOM 729 CA ASN A 35 6.419 -13.656 4.873 1.00 44.03 C ATOM 730 C ASN A 35 5.437 -12.544 5.234 1.00 60.43 C ATOM 731 O ASN A 35 4.639 -12.671 6.168 1.00 3.13 O ATOM 732 CB ASN A 35 6.287 -14.831 5.853 1.00 33.23 C ATOM 733 CG ASN A 35 6.875 -16.117 5.302 1.00 55.54 C ATOM 734 OD1 ASN A 35 6.153 -16.968 4.784 1.00 11.22 O ATOM 735 ND2 ASN A 35 8.190 -16.267 5.413 1.00 5.23 N ATOM 0 H ASN A 35 8.217 -13.107 3.934 1.00 41.03 H new ATOM 0 HA ASN A 35 6.181 -14.022 3.874 1.00 44.03 H new ATOM 0 HB2 ASN A 35 6.787 -14.578 6.788 1.00 33.23 H new ATOM 0 HB3 ASN A 35 5.234 -14.988 6.087 1.00 33.23 H new ATOM 0 HD21 ASN A 35 8.638 -17.113 5.062 1.00 5.23 H new ATOM 0 HD22 ASN A 35 8.752 -15.536 5.850 1.00 5.23 H new ATOM 742 N LEU A 36 5.520 -11.446 4.487 1.00 3.32 N ATOM 743 CA LEU A 36 4.666 -10.288 4.711 1.00 24.14 C ATOM 744 C LEU A 36 3.208 -10.580 4.357 1.00 43.34 C ATOM 745 O LEU A 36 2.838 -10.619 3.180 1.00 74.22 O ATOM 746 CB LEU A 36 5.176 -9.099 3.890 1.00 32.11 C ATOM 747 CG LEU A 36 4.524 -7.753 4.211 1.00 12.43 C ATOM 748 CD1 LEU A 36 5.031 -7.216 5.541 1.00 11.22 C ATOM 749 CD2 LEU A 36 4.793 -6.759 3.091 1.00 62.23 C ATOM 0 H LEU A 36 6.177 -11.336 3.715 1.00 3.32 H new ATOM 0 HA LEU A 36 4.706 -10.046 5.773 1.00 24.14 H new ATOM 0 HB2 LEU A 36 6.251 -9.008 4.043 1.00 32.11 H new ATOM 0 HB3 LEU A 36 5.021 -9.316 2.833 1.00 32.11 H new ATOM 0 HG LEU A 36 3.447 -7.898 4.294 1.00 12.43 H new ATOM 0 HD11 LEU A 36 4.556 -6.258 5.752 1.00 11.22 H new ATOM 0 HD12 LEU A 36 4.790 -7.923 6.335 1.00 11.22 H new ATOM 0 HD13 LEU A 36 6.112 -7.082 5.491 1.00 11.22 H new ATOM 0 HD21 LEU A 36 4.324 -5.805 3.331 1.00 62.23 H new ATOM 0 HD22 LEU A 36 5.868 -6.617 2.981 1.00 62.23 H new ATOM 0 HD23 LEU A 36 4.380 -7.142 2.158 1.00 62.23 H new ATOM 761 N LYS A 37 2.381 -10.755 5.389 1.00 71.12 N ATOM 762 CA LYS A 37 0.950 -11.007 5.200 1.00 60.54 C ATOM 763 C LYS A 37 0.189 -9.699 5.392 1.00 24.21 C ATOM 764 O LYS A 37 0.241 -9.100 6.469 1.00 3.53 O ATOM 765 CB LYS A 37 0.445 -12.074 6.176 1.00 11.53 C ATOM 766 CG LYS A 37 0.641 -13.495 5.673 1.00 13.02 C ATOM 767 CD LYS A 37 -0.081 -14.507 6.550 1.00 72.43 C ATOM 768 CE LYS A 37 -0.499 -15.736 5.757 1.00 71.34 C ATOM 769 NZ LYS A 37 0.573 -16.772 5.716 1.00 32.13 N ATOM 0 H LYS A 37 2.677 -10.727 6.365 1.00 71.12 H new ATOM 0 HA LYS A 37 0.783 -11.384 4.191 1.00 60.54 H new ATOM 0 HB2 LYS A 37 0.963 -11.959 7.128 1.00 11.53 H new ATOM 0 HB3 LYS A 37 -0.615 -11.908 6.368 1.00 11.53 H new ATOM 0 HG2 LYS A 37 0.274 -13.573 4.650 1.00 13.02 H new ATOM 0 HG3 LYS A 37 1.705 -13.729 5.648 1.00 13.02 H new ATOM 0 HD2 LYS A 37 0.569 -14.807 7.372 1.00 72.43 H new ATOM 0 HD3 LYS A 37 -0.962 -14.042 6.994 1.00 72.43 H new ATOM 0 HE2 LYS A 37 -1.398 -16.164 6.200 1.00 71.34 H new ATOM 0 HE3 LYS A 37 -0.755 -15.440 4.740 1.00 71.34 H new ATOM 0 HZ1 LYS A 37 0.244 -17.591 5.165 1.00 32.13 H new ATOM 0 HZ2 LYS A 37 1.424 -16.374 5.269 1.00 32.13 H new ATOM 0 HZ3 LYS A 37 0.800 -17.075 6.685 1.00 32.13 H new ATOM 783 N LEU A 38 -0.474 -9.231 4.333 1.00 53.05 N ATOM 784 CA LEU A 38 -1.190 -7.956 4.385 1.00 55.31 C ATOM 785 C LEU A 38 -2.710 -8.098 4.401 1.00 42.42 C ATOM 786 O LEU A 38 -3.285 -8.971 3.752 1.00 35.15 O ATOM 787 CB LEU A 38 -0.788 -7.080 3.191 1.00 51.31 C ATOM 788 CG LEU A 38 0.684 -6.648 3.135 1.00 54.31 C ATOM 789 CD1 LEU A 38 1.335 -6.723 4.508 1.00 13.53 C ATOM 790 CD2 LEU A 38 1.448 -7.500 2.136 1.00 32.41 C ATOM 0 H LEU A 38 -0.530 -9.712 3.435 1.00 53.05 H new ATOM 0 HA LEU A 38 -0.903 -7.493 5.329 1.00 55.31 H new ATOM 0 HB2 LEU A 38 -1.022 -7.621 2.274 1.00 51.31 H new ATOM 0 HB3 LEU A 38 -1.408 -6.184 3.199 1.00 51.31 H new ATOM 0 HG LEU A 38 0.717 -5.609 2.807 1.00 54.31 H new ATOM 0 HD11 LEU A 38 2.377 -6.411 4.434 1.00 13.53 H new ATOM 0 HD12 LEU A 38 0.807 -6.065 5.198 1.00 13.53 H new ATOM 0 HD13 LEU A 38 1.289 -7.748 4.877 1.00 13.53 H new ATOM 0 HD21 LEU A 38 2.490 -7.181 2.108 1.00 32.41 H new ATOM 0 HD22 LEU A 38 1.397 -8.547 2.436 1.00 32.41 H new ATOM 0 HD23 LEU A 38 1.006 -7.384 1.146 1.00 32.41 H new ATOM 802 N THR A 39 -3.340 -7.176 5.127 1.00 4.12 N ATOM 803 CA THR A 39 -4.794 -7.089 5.239 1.00 34.14 C ATOM 804 C THR A 39 -5.193 -5.647 4.987 1.00 60.12 C ATOM 805 O THR A 39 -4.638 -4.726 5.590 1.00 0.32 O ATOM 806 CB THR A 39 -5.268 -7.551 6.620 1.00 24.24 C ATOM 807 OG1 THR A 39 -4.629 -8.762 6.994 1.00 60.24 O ATOM 808 CG2 THR A 39 -6.763 -7.778 6.693 1.00 13.24 C ATOM 0 H THR A 39 -2.848 -6.459 5.661 1.00 4.12 H new ATOM 0 HA THR A 39 -5.264 -7.744 4.506 1.00 34.14 H new ATOM 0 HB THR A 39 -5.005 -6.742 7.301 1.00 24.24 H new ATOM 0 HG1 THR A 39 -4.945 -9.038 7.880 1.00 60.24 H new ATOM 0 HG21 THR A 39 -7.033 -8.104 7.698 1.00 13.24 H new ATOM 0 HG22 THR A 39 -7.284 -6.849 6.461 1.00 13.24 H new ATOM 0 HG23 THR A 39 -7.050 -8.545 5.974 1.00 13.24 H new ATOM 816 N ILE A 40 -6.113 -5.455 4.057 1.00 63.45 N ATOM 817 CA ILE A 40 -6.541 -4.122 3.674 1.00 32.40 C ATOM 818 C ILE A 40 -7.938 -3.784 4.198 1.00 3.04 C ATOM 819 O ILE A 40 -8.909 -4.488 3.913 1.00 63.13 O ATOM 820 CB ILE A 40 -6.516 -3.976 2.138 1.00 13.50 C ATOM 821 CG1 ILE A 40 -5.340 -4.754 1.528 1.00 43.23 C ATOM 822 CG2 ILE A 40 -6.445 -2.514 1.737 1.00 45.13 C ATOM 823 CD1 ILE A 40 -4.006 -4.050 1.652 1.00 40.54 C ATOM 0 H ILE A 40 -6.579 -6.209 3.552 1.00 63.45 H new ATOM 0 HA ILE A 40 -5.840 -3.420 4.127 1.00 32.40 H new ATOM 0 HB ILE A 40 -7.443 -4.398 1.749 1.00 13.50 H new ATOM 0 HG12 ILE A 40 -5.272 -5.728 2.013 1.00 43.23 H new ATOM 0 HG13 ILE A 40 -5.546 -4.936 0.473 1.00 43.23 H new ATOM 0 HG21 ILE A 40 -6.428 -2.435 0.650 1.00 45.13 H new ATOM 0 HG22 ILE A 40 -7.317 -1.987 2.126 1.00 45.13 H new ATOM 0 HG23 ILE A 40 -5.539 -2.068 2.147 1.00 45.13 H new ATOM 0 HD11 ILE A 40 -3.227 -4.663 1.198 1.00 40.54 H new ATOM 0 HD12 ILE A 40 -4.054 -3.088 1.142 1.00 40.54 H new ATOM 0 HD13 ILE A 40 -3.775 -3.892 2.705 1.00 40.54 H new ATOM 835 N THR A 41 -8.020 -2.688 4.958 1.00 54.24 N ATOM 836 CA THR A 41 -9.282 -2.213 5.529 1.00 51.53 C ATOM 837 C THR A 41 -9.279 -0.681 5.599 1.00 13.25 C ATOM 838 O THR A 41 -8.411 -0.086 6.242 1.00 34.23 O ATOM 839 CB THR A 41 -9.504 -2.817 6.923 1.00 54.44 C ATOM 840 OG1 THR A 41 -8.268 -3.091 7.567 1.00 3.41 O ATOM 841 CG2 THR A 41 -10.298 -4.107 6.893 1.00 35.25 C ATOM 0 H THR A 41 -7.215 -2.107 5.194 1.00 54.24 H new ATOM 0 HA THR A 41 -10.102 -2.534 4.886 1.00 51.53 H new ATOM 0 HB THR A 41 -10.071 -2.065 7.471 1.00 54.44 H new ATOM 0 HG1 THR A 41 -7.640 -2.359 7.394 1.00 3.41 H new ATOM 0 HG21 THR A 41 -10.420 -4.483 7.909 1.00 35.25 H new ATOM 0 HG22 THR A 41 -11.278 -3.921 6.455 1.00 35.25 H new ATOM 0 HG23 THR A 41 -9.767 -4.847 6.294 1.00 35.25 H new ATOM 849 N GLN A 42 -10.234 -0.048 4.909 1.00 12.40 N ATOM 850 CA GLN A 42 -10.318 1.418 4.865 1.00 11.23 C ATOM 851 C GLN A 42 -11.710 1.931 5.216 1.00 64.22 C ATOM 852 O GLN A 42 -12.720 1.280 4.935 1.00 53.05 O ATOM 853 CB GLN A 42 -9.945 1.903 3.463 1.00 71.12 C ATOM 854 CG GLN A 42 -9.830 3.417 3.303 1.00 31.40 C ATOM 855 CD GLN A 42 -10.675 3.924 2.153 1.00 54.33 C ATOM 856 OE1 GLN A 42 -11.902 3.955 2.240 1.00 22.20 O ATOM 857 NE2 GLN A 42 -10.025 4.313 1.061 1.00 60.41 N ATOM 0 H GLN A 42 -10.959 -0.526 4.374 1.00 12.40 H new ATOM 0 HA GLN A 42 -9.624 1.808 5.609 1.00 11.23 H new ATOM 0 HB2 GLN A 42 -8.993 1.452 3.182 1.00 71.12 H new ATOM 0 HB3 GLN A 42 -10.692 1.536 2.759 1.00 71.12 H new ATOM 0 HG2 GLN A 42 -10.141 3.905 4.226 1.00 31.40 H new ATOM 0 HG3 GLN A 42 -8.787 3.687 3.135 1.00 31.40 H new ATOM 0 HE21 GLN A 42 -9.006 4.271 1.032 1.00 60.41 H new ATOM 0 HE22 GLN A 42 -10.545 4.654 0.252 1.00 60.41 H new ATOM 866 N GLU A 43 -11.744 3.123 5.807 1.00 44.32 N ATOM 867 CA GLU A 43 -12.992 3.774 6.183 1.00 55.23 C ATOM 868 C GLU A 43 -12.930 5.251 5.806 1.00 62.13 C ATOM 869 O GLU A 43 -12.735 6.118 6.660 1.00 44.33 O ATOM 870 CB GLU A 43 -13.247 3.620 7.682 1.00 52.44 C ATOM 871 CG GLU A 43 -12.938 2.229 8.216 1.00 11.51 C ATOM 872 CD GLU A 43 -12.723 2.209 9.714 1.00 4.24 C ATOM 873 OE1 GLU A 43 -11.687 2.737 10.173 1.00 12.14 O ATOM 874 OE2 GLU A 43 -13.587 1.659 10.428 1.00 11.50 O ATOM 0 H GLU A 43 -10.909 3.662 6.037 1.00 44.32 H new ATOM 0 HA GLU A 43 -13.815 3.300 5.647 1.00 55.23 H new ATOM 0 HB2 GLU A 43 -12.642 4.349 8.221 1.00 52.44 H new ATOM 0 HB3 GLU A 43 -14.291 3.856 7.890 1.00 52.44 H new ATOM 0 HG2 GLU A 43 -13.758 1.557 7.962 1.00 11.51 H new ATOM 0 HG3 GLU A 43 -12.046 1.845 7.721 1.00 11.51 H new ATOM 881 N GLY A 44 -13.082 5.524 4.513 1.00 54.53 N ATOM 882 CA GLY A 44 -13.029 6.893 4.023 1.00 74.33 C ATOM 883 C GLY A 44 -11.725 7.230 3.347 1.00 73.43 C ATOM 884 O GLY A 44 -11.340 6.609 2.358 1.00 0.12 O ATOM 0 H GLY A 44 -13.242 4.820 3.793 1.00 54.53 H new ATOM 0 HA2 GLY A 44 -13.847 7.053 3.321 1.00 74.33 H new ATOM 0 HA3 GLY A 44 -13.186 7.577 4.857 1.00 74.33 H new ATOM 888 N ASN A 45 -11.048 8.214 3.893 1.00 43.43 N ATOM 889 CA ASN A 45 -9.766 8.658 3.376 1.00 4.35 C ATOM 890 C ASN A 45 -8.663 8.255 4.350 1.00 15.04 C ATOM 891 O ASN A 45 -7.542 8.762 4.298 1.00 13.00 O ATOM 892 CB ASN A 45 -9.807 10.173 3.131 1.00 51.14 C ATOM 893 CG ASN A 45 -9.025 10.993 4.146 1.00 52.31 C ATOM 894 OD1 ASN A 45 -9.411 11.092 5.309 1.00 72.44 O ATOM 895 ND2 ASN A 45 -7.924 11.594 3.706 1.00 42.33 N ATOM 0 H ASN A 45 -11.368 8.733 4.711 1.00 43.43 H new ATOM 0 HA ASN A 45 -9.552 8.181 2.420 1.00 4.35 H new ATOM 0 HB2 ASN A 45 -9.414 10.379 2.135 1.00 51.14 H new ATOM 0 HB3 ASN A 45 -10.846 10.502 3.138 1.00 51.14 H new ATOM 0 HD21 ASN A 45 -7.365 12.163 4.342 1.00 42.33 H new ATOM 0 HD22 ASN A 45 -7.638 11.486 2.733 1.00 42.33 H new ATOM 902 N LYS A 46 -9.002 7.303 5.222 1.00 21.13 N ATOM 903 CA LYS A 46 -8.073 6.781 6.207 1.00 43.55 C ATOM 904 C LYS A 46 -7.992 5.275 6.053 1.00 42.34 C ATOM 905 O LYS A 46 -8.985 4.564 6.237 1.00 1.03 O ATOM 906 CB LYS A 46 -8.512 7.165 7.625 1.00 0.23 C ATOM 907 CG LYS A 46 -7.911 6.294 8.723 1.00 40.04 C ATOM 908 CD LYS A 46 -8.883 5.215 9.182 1.00 20.10 C ATOM 909 CE LYS A 46 -8.635 4.813 10.628 1.00 4.01 C ATOM 910 NZ LYS A 46 -9.007 3.393 10.887 1.00 33.42 N ATOM 0 H LYS A 46 -9.928 6.878 5.259 1.00 21.13 H new ATOM 0 HA LYS A 46 -7.086 7.214 6.044 1.00 43.55 H new ATOM 0 HB2 LYS A 46 -8.237 8.204 7.810 1.00 0.23 H new ATOM 0 HB3 LYS A 46 -9.599 7.107 7.685 1.00 0.23 H new ATOM 0 HG2 LYS A 46 -6.996 5.828 8.358 1.00 40.04 H new ATOM 0 HG3 LYS A 46 -7.633 6.919 9.572 1.00 40.04 H new ATOM 0 HD2 LYS A 46 -9.906 5.577 9.075 1.00 20.10 H new ATOM 0 HD3 LYS A 46 -8.786 4.340 8.539 1.00 20.10 H new ATOM 0 HE2 LYS A 46 -7.583 4.961 10.870 1.00 4.01 H new ATOM 0 HE3 LYS A 46 -9.208 5.464 11.288 1.00 4.01 H new ATOM 0 HZ1 LYS A 46 -8.870 3.177 11.895 1.00 33.42 H new ATOM 0 HZ2 LYS A 46 -10.004 3.244 10.633 1.00 33.42 H new ATOM 0 HZ3 LYS A 46 -8.407 2.767 10.314 1.00 33.42 H new ATOM 924 N PHE A 47 -6.819 4.798 5.678 1.00 54.12 N ATOM 925 CA PHE A 47 -6.614 3.381 5.459 1.00 23.11 C ATOM 926 C PHE A 47 -5.793 2.754 6.567 1.00 33.44 C ATOM 927 O PHE A 47 -4.847 3.358 7.078 1.00 43.04 O ATOM 928 CB PHE A 47 -5.930 3.173 4.118 1.00 1.40 C ATOM 929 CG PHE A 47 -6.581 2.131 3.266 1.00 51.31 C ATOM 930 CD1 PHE A 47 -6.748 0.843 3.737 1.00 71.12 C ATOM 931 CD2 PHE A 47 -7.035 2.447 1.997 1.00 62.42 C ATOM 932 CE1 PHE A 47 -7.358 -0.115 2.955 1.00 25.43 C ATOM 933 CE2 PHE A 47 -7.643 1.493 1.207 1.00 40.13 C ATOM 934 CZ PHE A 47 -7.806 0.209 1.686 1.00 72.21 C ATOM 0 H PHE A 47 -5.993 5.374 5.519 1.00 54.12 H new ATOM 0 HA PHE A 47 -7.588 2.891 5.459 1.00 23.11 H new ATOM 0 HB2 PHE A 47 -5.919 4.118 3.575 1.00 1.40 H new ATOM 0 HB3 PHE A 47 -4.891 2.892 4.290 1.00 1.40 H new ATOM 0 HD1 PHE A 47 -6.398 0.584 4.725 1.00 71.12 H new ATOM 0 HD2 PHE A 47 -6.912 3.452 1.621 1.00 62.42 H new ATOM 0 HE1 PHE A 47 -7.486 -1.119 3.333 1.00 25.43 H new ATOM 0 HE2 PHE A 47 -7.990 1.750 0.217 1.00 40.13 H new ATOM 0 HZ PHE A 47 -8.282 -0.541 1.072 1.00 72.21 H new ATOM 944 N THR A 48 -6.159 1.529 6.917 1.00 41.33 N ATOM 945 CA THR A 48 -5.459 0.785 7.953 1.00 22.53 C ATOM 946 C THR A 48 -5.164 -0.633 7.484 1.00 32.44 C ATOM 947 O THR A 48 -6.082 -1.433 7.280 1.00 34.13 O ATOM 948 CB THR A 48 -6.266 0.759 9.257 1.00 32.31 C ATOM 949 OG1 THR A 48 -6.753 2.053 9.584 1.00 52.13 O ATOM 950 CG2 THR A 48 -5.465 0.254 10.444 1.00 42.12 C ATOM 0 H THR A 48 -6.941 1.028 6.496 1.00 41.33 H new ATOM 0 HA THR A 48 -4.515 1.292 8.150 1.00 22.53 H new ATOM 0 HB THR A 48 -7.089 0.070 9.070 1.00 32.31 H new ATOM 0 HG1 THR A 48 -6.547 2.253 10.521 1.00 52.13 H new ATOM 0 HG21 THR A 48 -6.092 0.260 11.335 1.00 42.12 H new ATOM 0 HG22 THR A 48 -5.124 -0.762 10.247 1.00 42.12 H new ATOM 0 HG23 THR A 48 -4.603 0.901 10.603 1.00 42.12 H new ATOM 958 N VAL A 49 -3.883 -0.938 7.312 1.00 51.55 N ATOM 959 CA VAL A 49 -3.471 -2.257 6.867 1.00 11.04 C ATOM 960 C VAL A 49 -2.574 -2.930 7.899 1.00 32.14 C ATOM 961 O VAL A 49 -1.693 -2.294 8.483 1.00 64.22 O ATOM 962 CB VAL A 49 -2.744 -2.199 5.508 1.00 63.23 C ATOM 963 CG1 VAL A 49 -3.641 -1.581 4.447 1.00 24.14 C ATOM 964 CG2 VAL A 49 -1.428 -1.440 5.614 1.00 12.03 C ATOM 0 H VAL A 49 -3.114 -0.287 7.475 1.00 51.55 H new ATOM 0 HA VAL A 49 -4.379 -2.847 6.747 1.00 11.04 H new ATOM 0 HB VAL A 49 -2.512 -3.221 5.210 1.00 63.23 H new ATOM 0 HG11 VAL A 49 -3.110 -1.549 3.496 1.00 24.14 H new ATOM 0 HG12 VAL A 49 -4.544 -2.182 4.339 1.00 24.14 H new ATOM 0 HG13 VAL A 49 -3.913 -0.568 4.745 1.00 24.14 H new ATOM 0 HG21 VAL A 49 -0.941 -1.418 4.639 1.00 12.03 H new ATOM 0 HG22 VAL A 49 -1.622 -0.420 5.946 1.00 12.03 H new ATOM 0 HG23 VAL A 49 -0.778 -1.938 6.333 1.00 12.03 H new ATOM 974 N LYS A 50 -2.812 -4.218 8.117 1.00 51.25 N ATOM 975 CA LYS A 50 -2.035 -4.992 9.077 1.00 34.22 C ATOM 976 C LYS A 50 -1.000 -5.848 8.354 1.00 73.11 C ATOM 977 O LYS A 50 -1.347 -6.695 7.528 1.00 25.42 O ATOM 978 CB LYS A 50 -2.966 -5.865 9.922 1.00 34.45 C ATOM 979 CG LYS A 50 -2.470 -6.110 11.340 1.00 53.15 C ATOM 980 CD LYS A 50 -1.234 -6.997 11.366 1.00 3.50 C ATOM 981 CE LYS A 50 -1.518 -8.380 10.798 1.00 13.15 C ATOM 982 NZ LYS A 50 -0.307 -8.982 10.180 1.00 34.21 N ATOM 0 H LYS A 50 -3.540 -4.750 7.640 1.00 51.25 H new ATOM 0 HA LYS A 50 -1.507 -4.307 9.740 1.00 34.22 H new ATOM 0 HB2 LYS A 50 -3.947 -5.392 9.968 1.00 34.45 H new ATOM 0 HB3 LYS A 50 -3.098 -6.825 9.424 1.00 34.45 H new ATOM 0 HG2 LYS A 50 -2.241 -5.156 11.814 1.00 53.15 H new ATOM 0 HG3 LYS A 50 -3.263 -6.575 11.926 1.00 53.15 H new ATOM 0 HD2 LYS A 50 -0.436 -6.525 10.792 1.00 3.50 H new ATOM 0 HD3 LYS A 50 -0.876 -7.092 12.391 1.00 3.50 H new ATOM 0 HE2 LYS A 50 -1.883 -9.031 11.592 1.00 13.15 H new ATOM 0 HE3 LYS A 50 -2.311 -8.311 10.053 1.00 13.15 H new ATOM 0 HZ1 LYS A 50 -0.301 -10.007 10.355 1.00 34.21 H new ATOM 0 HZ2 LYS A 50 -0.316 -8.806 9.155 1.00 34.21 H new ATOM 0 HZ3 LYS A 50 0.545 -8.555 10.597 1.00 34.21 H new ATOM 996 N GLU A 51 0.274 -5.606 8.660 1.00 41.41 N ATOM 997 CA GLU A 51 1.371 -6.337 8.034 1.00 2.42 C ATOM 998 C GLU A 51 2.188 -7.101 9.073 1.00 40.32 C ATOM 999 O GLU A 51 2.600 -6.533 10.086 1.00 43.43 O ATOM 1000 CB GLU A 51 2.281 -5.367 7.271 1.00 24.43 C ATOM 1001 CG GLU A 51 1.528 -4.276 6.519 1.00 2.05 C ATOM 1002 CD GLU A 51 1.868 -2.882 7.011 1.00 1.34 C ATOM 1003 OE1 GLU A 51 1.275 -2.444 8.021 1.00 61.22 O ATOM 1004 OE2 GLU A 51 2.729 -2.229 6.385 1.00 43.54 O ATOM 0 H GLU A 51 0.571 -4.906 9.340 1.00 41.41 H new ATOM 0 HA GLU A 51 0.942 -7.057 7.338 1.00 2.42 H new ATOM 0 HB2 GLU A 51 2.970 -4.900 7.975 1.00 24.43 H new ATOM 0 HB3 GLU A 51 2.885 -5.933 6.562 1.00 24.43 H new ATOM 0 HG2 GLU A 51 1.759 -4.348 5.456 1.00 2.05 H new ATOM 0 HG3 GLU A 51 0.456 -4.442 6.624 1.00 2.05 H new ATOM 1011 N SER A 52 2.426 -8.387 8.811 1.00 34.51 N ATOM 1012 CA SER A 52 3.204 -9.226 9.719 1.00 24.54 C ATOM 1013 C SER A 52 4.458 -9.743 9.029 1.00 41.21 C ATOM 1014 O SER A 52 4.387 -10.292 7.928 1.00 12.32 O ATOM 1015 CB SER A 52 2.375 -10.412 10.221 1.00 0.53 C ATOM 1016 OG SER A 52 1.438 -10.840 9.247 1.00 74.44 O ATOM 0 H SER A 52 2.090 -8.869 7.977 1.00 34.51 H new ATOM 0 HA SER A 52 3.489 -8.610 10.572 1.00 24.54 H new ATOM 0 HB2 SER A 52 3.038 -11.238 10.477 1.00 0.53 H new ATOM 0 HB3 SER A 52 1.850 -10.130 11.134 1.00 0.53 H new ATOM 0 HG SER A 52 0.926 -11.599 9.597 1.00 74.44 H new ATOM 1022 N SER A 53 5.600 -9.579 9.687 1.00 31.11 N ATOM 1023 CA SER A 53 6.868 -10.042 9.145 1.00 14.42 C ATOM 1024 C SER A 53 7.451 -11.145 10.025 1.00 73.11 C ATOM 1025 O SER A 53 6.854 -11.532 11.034 1.00 45.21 O ATOM 1026 CB SER A 53 7.860 -8.879 9.028 1.00 24.21 C ATOM 1027 OG SER A 53 7.257 -7.748 8.419 1.00 41.33 O ATOM 0 H SER A 53 5.672 -9.127 10.599 1.00 31.11 H new ATOM 0 HA SER A 53 6.689 -10.447 8.149 1.00 14.42 H new ATOM 0 HB2 SER A 53 8.227 -8.609 10.019 1.00 24.21 H new ATOM 0 HB3 SER A 53 8.724 -9.193 8.443 1.00 24.21 H new ATOM 0 HG SER A 53 7.181 -7.898 7.454 1.00 41.33 H new ATOM 1033 N ALA A 54 8.616 -11.651 9.636 1.00 53.43 N ATOM 1034 CA ALA A 54 9.279 -12.715 10.381 1.00 52.45 C ATOM 1035 C ALA A 54 9.920 -12.203 11.674 1.00 3.21 C ATOM 1036 O ALA A 54 10.043 -12.953 12.644 1.00 22.41 O ATOM 1037 CB ALA A 54 10.326 -13.381 9.502 1.00 53.02 C ATOM 0 H ALA A 54 9.122 -11.340 8.807 1.00 53.43 H new ATOM 0 HA ALA A 54 8.520 -13.443 10.666 1.00 52.45 H new ATOM 0 HB1 ALA A 54 10.819 -14.175 10.062 1.00 53.02 H new ATOM 0 HB2 ALA A 54 9.845 -13.804 8.620 1.00 53.02 H new ATOM 0 HB3 ALA A 54 11.065 -12.642 9.193 1.00 53.02 H new ATOM 1043 N PHE A 55 10.341 -10.933 11.682 1.00 40.31 N ATOM 1044 CA PHE A 55 10.987 -10.349 12.862 1.00 4.13 C ATOM 1045 C PHE A 55 10.106 -9.319 13.589 1.00 13.44 C ATOM 1046 O PHE A 55 10.459 -8.876 14.683 1.00 34.45 O ATOM 1047 CB PHE A 55 12.338 -9.722 12.483 1.00 55.21 C ATOM 1048 CG PHE A 55 12.294 -8.808 11.289 1.00 23.13 C ATOM 1049 CD1 PHE A 55 12.425 -9.317 10.008 1.00 2.34 C ATOM 1050 CD2 PHE A 55 12.137 -7.442 11.451 1.00 11.33 C ATOM 1051 CE1 PHE A 55 12.397 -8.481 8.908 1.00 64.22 C ATOM 1052 CE2 PHE A 55 12.111 -6.599 10.356 1.00 72.12 C ATOM 1053 CZ PHE A 55 12.241 -7.119 9.082 1.00 72.43 C ATOM 0 H PHE A 55 10.247 -10.295 10.892 1.00 40.31 H new ATOM 0 HA PHE A 55 11.149 -11.170 13.561 1.00 4.13 H new ATOM 0 HB2 PHE A 55 12.716 -9.162 13.338 1.00 55.21 H new ATOM 0 HB3 PHE A 55 13.052 -10.522 12.285 1.00 55.21 H new ATOM 0 HD1 PHE A 55 12.551 -10.380 9.867 1.00 2.34 H new ATOM 0 HD2 PHE A 55 12.034 -7.031 12.444 1.00 11.33 H new ATOM 0 HE1 PHE A 55 12.497 -8.891 7.914 1.00 64.22 H new ATOM 0 HE2 PHE A 55 11.989 -5.535 10.496 1.00 72.12 H new ATOM 0 HZ PHE A 55 12.221 -6.463 8.225 1.00 72.43 H new ATOM 1063 N ARG A 56 8.966 -8.937 12.998 1.00 34.30 N ATOM 1064 CA ARG A 56 8.074 -7.960 13.633 1.00 13.05 C ATOM 1065 C ARG A 56 6.714 -7.891 12.935 1.00 72.24 C ATOM 1066 O ARG A 56 6.538 -8.426 11.841 1.00 13.31 O ATOM 1067 CB ARG A 56 8.721 -6.570 13.639 1.00 13.22 C ATOM 1068 CG ARG A 56 8.929 -5.984 12.249 1.00 32.30 C ATOM 1069 CD ARG A 56 8.523 -4.518 12.187 1.00 24.50 C ATOM 1070 NE ARG A 56 7.529 -4.271 11.143 1.00 53.23 N ATOM 1071 CZ ARG A 56 7.282 -3.072 10.605 1.00 71.23 C ATOM 1072 NH1 ARG A 56 7.938 -1.992 11.028 1.00 1.03 N ATOM 1073 NH2 ARG A 56 6.372 -2.954 9.642 1.00 24.10 N ATOM 0 H ARG A 56 8.644 -9.284 12.095 1.00 34.30 H new ATOM 0 HA ARG A 56 7.911 -8.291 14.658 1.00 13.05 H new ATOM 0 HB2 ARG A 56 8.097 -5.891 14.220 1.00 13.22 H new ATOM 0 HB3 ARG A 56 9.684 -6.630 14.146 1.00 13.22 H new ATOM 0 HG2 ARG A 56 9.977 -6.083 11.966 1.00 32.30 H new ATOM 0 HG3 ARG A 56 8.347 -6.553 11.524 1.00 32.30 H new ATOM 0 HD2 ARG A 56 8.119 -4.212 13.152 1.00 24.50 H new ATOM 0 HD3 ARG A 56 9.405 -3.905 12.001 1.00 24.50 H new ATOM 0 HE ARG A 56 6.988 -5.066 10.803 1.00 53.23 H new ATOM 0 HH11 ARG A 56 8.635 -2.076 11.768 1.00 1.03 H new ATOM 0 HH12 ARG A 56 7.743 -1.081 10.612 1.00 1.03 H new ATOM 0 HH21 ARG A 56 5.865 -3.777 9.316 1.00 24.10 H new ATOM 0 HH22 ARG A 56 6.181 -2.041 9.230 1.00 24.10 H new ATOM 1087 N ASN A 57 5.759 -7.216 13.581 1.00 31.42 N ATOM 1088 CA ASN A 57 4.409 -7.056 13.037 1.00 54.41 C ATOM 1089 C ASN A 57 3.732 -5.823 13.642 1.00 74.24 C ATOM 1090 O ASN A 57 3.672 -5.683 14.865 1.00 24.15 O ATOM 1091 CB ASN A 57 3.570 -8.311 13.320 1.00 24.20 C ATOM 1092 CG ASN A 57 2.078 -8.081 13.138 1.00 73.23 C ATOM 1093 OD1 ASN A 57 1.548 -8.222 12.038 1.00 51.04 O ATOM 1094 ND2 ASN A 57 1.390 -7.726 14.219 1.00 62.42 N ATOM 0 H ASN A 57 5.898 -6.769 14.487 1.00 31.42 H new ATOM 0 HA ASN A 57 4.484 -6.919 11.958 1.00 54.41 H new ATOM 0 HB2 ASN A 57 3.892 -9.114 12.657 1.00 24.20 H new ATOM 0 HB3 ASN A 57 3.759 -8.645 14.340 1.00 24.20 H new ATOM 0 HD21 ASN A 57 0.386 -7.560 14.153 1.00 62.42 H new ATOM 0 HD22 ASN A 57 1.867 -7.619 15.115 1.00 62.42 H new ATOM 1101 N ILE A 58 3.221 -4.934 12.786 1.00 25.12 N ATOM 1102 CA ILE A 58 2.549 -3.718 13.257 1.00 3.13 C ATOM 1103 C ILE A 58 1.468 -3.240 12.282 1.00 64.23 C ATOM 1104 O ILE A 58 1.468 -3.608 11.104 1.00 22.31 O ATOM 1105 CB ILE A 58 3.550 -2.560 13.492 1.00 20.51 C ATOM 1106 CG1 ILE A 58 4.445 -2.352 12.265 1.00 52.23 C ATOM 1107 CG2 ILE A 58 4.395 -2.822 14.732 1.00 75.41 C ATOM 1108 CD1 ILE A 58 4.914 -0.922 12.093 1.00 21.30 C ATOM 0 H ILE A 58 3.259 -5.031 11.771 1.00 25.12 H new ATOM 0 HA ILE A 58 2.080 -3.989 14.203 1.00 3.13 H new ATOM 0 HB ILE A 58 2.977 -1.647 13.653 1.00 20.51 H new ATOM 0 HG12 ILE A 58 5.315 -3.004 12.345 1.00 52.23 H new ATOM 0 HG13 ILE A 58 3.900 -2.657 11.372 1.00 52.23 H new ATOM 0 HG21 ILE A 58 5.091 -1.996 14.879 1.00 75.41 H new ATOM 0 HG22 ILE A 58 3.746 -2.908 15.603 1.00 75.41 H new ATOM 0 HG23 ILE A 58 4.953 -3.749 14.603 1.00 75.41 H new ATOM 0 HD11 ILE A 58 5.542 -0.849 11.205 1.00 21.30 H new ATOM 0 HD12 ILE A 58 4.050 -0.267 11.981 1.00 21.30 H new ATOM 0 HD13 ILE A 58 5.487 -0.619 12.969 1.00 21.30 H new ATOM 1120 N GLU A 59 0.560 -2.402 12.792 1.00 54.42 N ATOM 1121 CA GLU A 59 -0.531 -1.834 11.995 1.00 12.40 C ATOM 1122 C GLU A 59 -0.151 -0.434 11.511 1.00 51.03 C ATOM 1123 O GLU A 59 0.366 0.376 12.285 1.00 71.13 O ATOM 1124 CB GLU A 59 -1.818 -1.771 12.829 1.00 32.22 C ATOM 1125 CG GLU A 59 -2.973 -1.064 12.130 1.00 25.31 C ATOM 1126 CD GLU A 59 -3.163 0.365 12.608 1.00 15.25 C ATOM 1127 OE1 GLU A 59 -3.872 0.566 13.616 1.00 51.24 O ATOM 1128 OE2 GLU A 59 -2.608 1.284 11.972 1.00 33.42 O ATOM 0 H GLU A 59 0.561 -2.099 13.766 1.00 54.42 H new ATOM 0 HA GLU A 59 -0.704 -2.473 11.129 1.00 12.40 H new ATOM 0 HB2 GLU A 59 -2.126 -2.786 13.082 1.00 32.22 H new ATOM 0 HB3 GLU A 59 -1.606 -1.259 13.768 1.00 32.22 H new ATOM 0 HG2 GLU A 59 -2.795 -1.062 11.055 1.00 25.31 H new ATOM 0 HG3 GLU A 59 -3.892 -1.624 12.300 1.00 25.31 H new ATOM 1135 N VAL A 60 -0.406 -0.154 10.231 1.00 43.31 N ATOM 1136 CA VAL A 60 -0.081 1.153 9.657 1.00 60.32 C ATOM 1137 C VAL A 60 -1.339 1.885 9.188 1.00 25.40 C ATOM 1138 O VAL A 60 -2.156 1.328 8.450 1.00 41.11 O ATOM 1139 CB VAL A 60 0.907 1.020 8.474 1.00 33.43 C ATOM 1140 CG1 VAL A 60 1.106 2.359 7.771 1.00 11.33 C ATOM 1141 CG2 VAL A 60 2.242 0.468 8.953 1.00 22.33 C ATOM 0 H VAL A 60 -0.833 -0.809 9.577 1.00 43.31 H new ATOM 0 HA VAL A 60 0.392 1.735 10.448 1.00 60.32 H new ATOM 0 HB VAL A 60 0.478 0.322 7.755 1.00 33.43 H new ATOM 0 HG11 VAL A 60 1.805 2.235 6.944 1.00 11.33 H new ATOM 0 HG12 VAL A 60 0.150 2.714 7.388 1.00 11.33 H new ATOM 0 HG13 VAL A 60 1.506 3.086 8.478 1.00 11.33 H new ATOM 0 HG21 VAL A 60 2.924 0.381 8.107 1.00 22.33 H new ATOM 0 HG22 VAL A 60 2.669 1.142 9.696 1.00 22.33 H new ATOM 0 HG23 VAL A 60 2.090 -0.515 9.399 1.00 22.33 H new ATOM 1151 N VAL A 61 -1.478 3.141 9.613 1.00 51.31 N ATOM 1152 CA VAL A 61 -2.623 3.963 9.233 1.00 14.14 C ATOM 1153 C VAL A 61 -2.162 5.244 8.535 1.00 23.40 C ATOM 1154 O VAL A 61 -1.136 5.824 8.900 1.00 4.12 O ATOM 1155 CB VAL A 61 -3.500 4.323 10.455 1.00 72.31 C ATOM 1156 CG1 VAL A 61 -2.722 5.163 11.459 1.00 62.11 C ATOM 1157 CG2 VAL A 61 -4.767 5.044 10.013 1.00 63.33 C ATOM 0 H VAL A 61 -0.809 3.611 10.222 1.00 51.31 H new ATOM 0 HA VAL A 61 -3.226 3.374 8.542 1.00 14.14 H new ATOM 0 HB VAL A 61 -3.788 3.395 10.948 1.00 72.31 H new ATOM 0 HG11 VAL A 61 -3.363 5.402 12.308 1.00 62.11 H new ATOM 0 HG12 VAL A 61 -1.853 4.603 11.806 1.00 62.11 H new ATOM 0 HG13 VAL A 61 -2.392 6.086 10.983 1.00 62.11 H new ATOM 0 HG21 VAL A 61 -5.370 5.289 10.887 1.00 63.33 H new ATOM 0 HG22 VAL A 61 -4.499 5.961 9.489 1.00 63.33 H new ATOM 0 HG23 VAL A 61 -5.339 4.399 9.346 1.00 63.33 H new ATOM 1167 N PHE A 62 -2.917 5.671 7.523 1.00 52.13 N ATOM 1168 CA PHE A 62 -2.580 6.873 6.767 1.00 12.54 C ATOM 1169 C PHE A 62 -3.837 7.594 6.277 1.00 3.10 C ATOM 1170 O PHE A 62 -4.920 7.008 6.219 1.00 42.14 O ATOM 1171 CB PHE A 62 -1.698 6.504 5.565 1.00 24.43 C ATOM 1172 CG PHE A 62 -2.445 6.473 4.257 1.00 24.13 C ATOM 1173 CD1 PHE A 62 -3.365 5.470 3.991 1.00 73.34 C ATOM 1174 CD2 PHE A 62 -2.242 7.459 3.307 1.00 32.33 C ATOM 1175 CE1 PHE A 62 -4.066 5.453 2.800 1.00 40.54 C ATOM 1176 CE2 PHE A 62 -2.938 7.444 2.115 1.00 5.22 C ATOM 1177 CZ PHE A 62 -3.851 6.441 1.862 1.00 2.24 C ATOM 0 H PHE A 62 -3.766 5.201 7.209 1.00 52.13 H new ATOM 0 HA PHE A 62 -2.037 7.546 7.431 1.00 12.54 H new ATOM 0 HB2 PHE A 62 -0.881 7.222 5.490 1.00 24.43 H new ATOM 0 HB3 PHE A 62 -1.249 5.527 5.741 1.00 24.43 H new ATOM 0 HD1 PHE A 62 -3.536 4.694 4.722 1.00 73.34 H new ATOM 0 HD2 PHE A 62 -1.531 8.249 3.500 1.00 32.33 H new ATOM 0 HE1 PHE A 62 -4.781 4.667 2.604 1.00 40.54 H new ATOM 0 HE2 PHE A 62 -2.768 8.217 1.381 1.00 5.22 H new ATOM 0 HZ PHE A 62 -4.397 6.430 0.930 1.00 2.24 H new ATOM 1187 N GLU A 63 -3.665 8.857 5.891 1.00 63.42 N ATOM 1188 CA GLU A 63 -4.758 9.666 5.364 1.00 3.42 C ATOM 1189 C GLU A 63 -4.366 10.231 4.003 1.00 41.15 C ATOM 1190 O GLU A 63 -3.290 10.817 3.859 1.00 14.31 O ATOM 1191 CB GLU A 63 -5.103 10.801 6.327 1.00 15.30 C ATOM 1192 CG GLU A 63 -6.329 10.519 7.181 1.00 5.21 C ATOM 1193 CD GLU A 63 -5.984 9.831 8.487 1.00 21.41 C ATOM 1194 OE1 GLU A 63 -5.789 8.598 8.475 1.00 23.24 O ATOM 1195 OE2 GLU A 63 -5.907 10.524 9.523 1.00 73.55 O ATOM 0 H GLU A 63 -2.770 9.344 5.935 1.00 63.42 H new ATOM 0 HA GLU A 63 -5.640 9.035 5.252 1.00 3.42 H new ATOM 0 HB2 GLU A 63 -4.250 10.985 6.980 1.00 15.30 H new ATOM 0 HB3 GLU A 63 -5.270 11.714 5.755 1.00 15.30 H new ATOM 0 HG2 GLU A 63 -6.843 11.457 7.393 1.00 5.21 H new ATOM 0 HG3 GLU A 63 -7.023 9.895 6.618 1.00 5.21 H new ATOM 1202 N LEU A 64 -5.227 10.037 3.002 1.00 41.24 N ATOM 1203 CA LEU A 64 -4.945 10.520 1.650 1.00 25.31 C ATOM 1204 C LEU A 64 -4.650 12.020 1.644 1.00 64.21 C ATOM 1205 O LEU A 64 -5.553 12.842 1.813 1.00 75.33 O ATOM 1206 CB LEU A 64 -6.117 10.223 0.701 1.00 72.43 C ATOM 1207 CG LEU A 64 -6.200 8.791 0.157 1.00 43.35 C ATOM 1208 CD1 LEU A 64 -7.399 8.646 -0.767 1.00 25.50 C ATOM 1209 CD2 LEU A 64 -4.918 8.419 -0.576 1.00 34.21 C ATOM 0 H LEU A 64 -6.119 9.552 3.101 1.00 41.24 H new ATOM 0 HA LEU A 64 -4.060 9.989 1.299 1.00 25.31 H new ATOM 0 HB2 LEU A 64 -7.047 10.445 1.224 1.00 72.43 H new ATOM 0 HB3 LEU A 64 -6.056 10.908 -0.145 1.00 72.43 H new ATOM 0 HG LEU A 64 -6.323 8.110 0.999 1.00 43.35 H new ATOM 0 HD11 LEU A 64 -7.445 7.625 -1.146 1.00 25.50 H new ATOM 0 HD12 LEU A 64 -8.312 8.870 -0.216 1.00 25.50 H new ATOM 0 HD13 LEU A 64 -7.300 9.339 -1.603 1.00 25.50 H new ATOM 0 HD21 LEU A 64 -4.998 7.400 -0.954 1.00 34.21 H new ATOM 0 HD22 LEU A 64 -4.764 9.104 -1.410 1.00 34.21 H new ATOM 0 HD23 LEU A 64 -4.074 8.487 0.110 1.00 34.21 H new ATOM 1221 N GLY A 65 -3.381 12.361 1.427 1.00 13.13 N ATOM 1222 CA GLY A 65 -2.971 13.759 1.372 1.00 61.23 C ATOM 1223 C GLY A 65 -2.551 14.344 2.713 1.00 33.40 C ATOM 1224 O GLY A 65 -2.544 15.565 2.872 1.00 31.14 O ATOM 0 H GLY A 65 -2.624 11.691 1.287 1.00 13.13 H new ATOM 0 HA2 GLY A 65 -2.141 13.854 0.672 1.00 61.23 H new ATOM 0 HA3 GLY A 65 -3.795 14.351 0.973 1.00 61.23 H new ATOM 1228 N VAL A 66 -2.191 13.492 3.676 1.00 54.12 N ATOM 1229 CA VAL A 66 -1.764 13.964 4.995 1.00 53.02 C ATOM 1230 C VAL A 66 -0.361 13.459 5.332 1.00 43.05 C ATOM 1231 O VAL A 66 -0.181 12.289 5.670 1.00 34.55 O ATOM 1232 CB VAL A 66 -2.746 13.517 6.100 1.00 4.02 C ATOM 1233 CG1 VAL A 66 -2.435 14.219 7.414 1.00 63.24 C ATOM 1234 CG2 VAL A 66 -4.185 13.780 5.678 1.00 60.25 C ATOM 0 H VAL A 66 -2.187 12.478 3.568 1.00 54.12 H new ATOM 0 HA VAL A 66 -1.753 15.053 4.954 1.00 53.02 H new ATOM 0 HB VAL A 66 -2.624 12.444 6.250 1.00 4.02 H new ATOM 0 HG11 VAL A 66 -3.139 13.889 8.178 1.00 63.24 H new ATOM 0 HG12 VAL A 66 -1.420 13.974 7.726 1.00 63.24 H new ATOM 0 HG13 VAL A 66 -2.523 15.297 7.280 1.00 63.24 H new ATOM 0 HG21 VAL A 66 -4.861 13.458 6.470 1.00 60.25 H new ATOM 0 HG22 VAL A 66 -4.322 14.846 5.495 1.00 60.25 H new ATOM 0 HG23 VAL A 66 -4.404 13.225 4.766 1.00 60.25 H new ATOM 1244 N THR A 67 0.632 14.347 5.233 1.00 22.33 N ATOM 1245 CA THR A 67 2.021 13.987 5.520 1.00 62.25 C ATOM 1246 C THR A 67 2.223 13.675 7.000 1.00 44.54 C ATOM 1247 O THR A 67 1.740 14.403 7.871 1.00 11.02 O ATOM 1248 CB THR A 67 2.977 15.102 5.079 1.00 75.24 C ATOM 1249 OG1 THR A 67 2.801 15.405 3.702 1.00 3.31 O ATOM 1250 CG2 THR A 67 4.441 14.756 5.286 1.00 44.42 C ATOM 0 H THR A 67 0.499 15.320 4.956 1.00 22.33 H new ATOM 0 HA THR A 67 2.248 13.086 4.950 1.00 62.25 H new ATOM 0 HB THR A 67 2.727 15.957 5.707 1.00 75.24 H new ATOM 0 HG1 THR A 67 3.419 16.120 3.443 1.00 3.31 H new ATOM 0 HG21 THR A 67 5.062 15.588 4.953 1.00 44.42 H new ATOM 0 HG22 THR A 67 4.624 14.567 6.344 1.00 44.42 H new ATOM 0 HG23 THR A 67 4.689 13.865 4.710 1.00 44.42 H new ATOM 1258 N PHE A 68 2.945 12.587 7.274 1.00 31.50 N ATOM 1259 CA PHE A 68 3.221 12.174 8.648 1.00 0.00 C ATOM 1260 C PHE A 68 4.642 11.621 8.777 1.00 75.51 C ATOM 1261 O PHE A 68 5.349 11.454 7.780 1.00 12.33 O ATOM 1262 CB PHE A 68 2.192 11.131 9.111 1.00 52.04 C ATOM 1263 CG PHE A 68 2.556 9.707 8.779 1.00 41.54 C ATOM 1264 CD1 PHE A 68 2.546 9.262 7.468 1.00 12.23 C ATOM 1265 CD2 PHE A 68 2.903 8.815 9.782 1.00 20.41 C ATOM 1266 CE1 PHE A 68 2.876 7.956 7.161 1.00 43.01 C ATOM 1267 CE2 PHE A 68 3.234 7.508 9.481 1.00 5.12 C ATOM 1268 CZ PHE A 68 3.221 7.078 8.169 1.00 44.54 C ATOM 0 H PHE A 68 3.348 11.978 6.562 1.00 31.50 H new ATOM 0 HA PHE A 68 3.140 13.051 9.290 1.00 0.00 H new ATOM 0 HB2 PHE A 68 2.065 11.218 10.190 1.00 52.04 H new ATOM 0 HB3 PHE A 68 1.229 11.362 8.656 1.00 52.04 H new ATOM 0 HD1 PHE A 68 2.277 9.944 6.675 1.00 12.23 H new ATOM 0 HD2 PHE A 68 2.915 9.146 10.810 1.00 20.41 H new ATOM 0 HE1 PHE A 68 2.864 7.622 6.134 1.00 43.01 H new ATOM 0 HE2 PHE A 68 3.503 6.823 10.271 1.00 5.12 H new ATOM 0 HZ PHE A 68 3.480 6.057 7.932 1.00 44.54 H new ATOM 1278 N ASN A 69 5.049 11.335 10.013 1.00 43.12 N ATOM 1279 CA ASN A 69 6.379 10.798 10.278 1.00 25.13 C ATOM 1280 C ASN A 69 6.304 9.315 10.641 1.00 33.41 C ATOM 1281 O ASN A 69 5.620 8.933 11.594 1.00 42.23 O ATOM 1282 CB ASN A 69 7.053 11.587 11.405 1.00 45.42 C ATOM 1283 CG ASN A 69 8.384 10.992 11.820 1.00 0.14 C ATOM 1284 OD1 ASN A 69 9.439 11.425 11.359 1.00 45.12 O ATOM 1285 ND2 ASN A 69 8.342 9.992 12.696 1.00 22.53 N ATOM 0 H ASN A 69 4.475 11.467 10.846 1.00 43.12 H new ATOM 0 HA ASN A 69 6.976 10.898 9.371 1.00 25.13 H new ATOM 0 HB2 ASN A 69 7.205 12.617 11.082 1.00 45.42 H new ATOM 0 HB3 ASN A 69 6.389 11.619 12.269 1.00 45.42 H new ATOM 0 HD21 ASN A 69 9.207 9.553 13.011 1.00 22.53 H new ATOM 0 HD22 ASN A 69 7.445 9.664 13.053 1.00 22.53 H new ATOM 1292 N TYR A 70 7.019 8.488 9.879 1.00 24.33 N ATOM 1293 CA TYR A 70 7.045 7.047 10.118 1.00 33.55 C ATOM 1294 C TYR A 70 8.433 6.611 10.587 1.00 23.32 C ATOM 1295 O TYR A 70 9.444 7.035 10.024 1.00 71.21 O ATOM 1296 CB TYR A 70 6.646 6.287 8.845 1.00 55.41 C ATOM 1297 CG TYR A 70 6.766 4.782 8.968 1.00 73.43 C ATOM 1298 CD1 TYR A 70 5.753 4.028 9.548 1.00 51.04 C ATOM 1299 CD2 TYR A 70 7.896 4.118 8.506 1.00 40.22 C ATOM 1300 CE1 TYR A 70 5.863 2.655 9.664 1.00 13.53 C ATOM 1301 CE2 TYR A 70 8.013 2.746 8.618 1.00 25.40 C ATOM 1302 CZ TYR A 70 6.994 2.018 9.199 1.00 2.22 C ATOM 1303 OH TYR A 70 7.105 0.648 9.317 1.00 53.12 O ATOM 0 H TYR A 70 7.589 8.793 9.090 1.00 24.33 H new ATOM 0 HA TYR A 70 6.325 6.811 10.902 1.00 33.55 H new ATOM 0 HB2 TYR A 70 5.617 6.540 8.589 1.00 55.41 H new ATOM 0 HB3 TYR A 70 7.272 6.626 8.020 1.00 55.41 H new ATOM 0 HD1 TYR A 70 4.865 4.523 9.914 1.00 51.04 H new ATOM 0 HD2 TYR A 70 8.696 4.684 8.052 1.00 40.22 H new ATOM 0 HE1 TYR A 70 5.066 2.084 10.117 1.00 13.53 H new ATOM 0 HE2 TYR A 70 8.897 2.245 8.253 1.00 25.40 H new ATOM 0 HH TYR A 70 7.961 0.355 8.940 1.00 53.12 H new ATOM 1313 N ASN A 71 8.475 5.769 11.621 1.00 0.22 N ATOM 1314 CA ASN A 71 9.743 5.285 12.168 1.00 4.24 C ATOM 1315 C ASN A 71 10.117 3.922 11.588 1.00 61.42 C ATOM 1316 O ASN A 71 9.251 3.083 11.339 1.00 34.32 O ATOM 1317 CB ASN A 71 9.664 5.191 13.695 1.00 22.50 C ATOM 1318 CG ASN A 71 10.715 6.039 14.384 1.00 0.31 C ATOM 1319 OD1 ASN A 71 11.760 5.536 14.794 1.00 1.51 O ATOM 1320 ND2 ASN A 71 10.443 7.334 14.517 1.00 31.50 N ATOM 0 H ASN A 71 7.647 5.409 12.096 1.00 0.22 H new ATOM 0 HA ASN A 71 10.516 6.000 11.888 1.00 4.24 H new ATOM 0 HB2 ASN A 71 8.674 5.506 14.024 1.00 22.50 H new ATOM 0 HB3 ASN A 71 9.785 4.151 13.999 1.00 22.50 H new ATOM 0 HD21 ASN A 71 11.114 7.952 14.974 1.00 31.50 H new ATOM 0 HD22 ASN A 71 9.564 7.709 14.162 1.00 31.50 H new ATOM 1327 N LEU A 72 11.418 3.709 11.386 1.00 4.10 N ATOM 1328 CA LEU A 72 11.920 2.446 10.845 1.00 63.14 C ATOM 1329 C LEU A 72 12.295 1.480 11.970 1.00 51.42 C ATOM 1330 O LEU A 72 12.261 1.840 13.150 1.00 45.31 O ATOM 1331 CB LEU A 72 13.137 2.695 9.948 1.00 43.25 C ATOM 1332 CG LEU A 72 12.816 3.195 8.537 1.00 71.12 C ATOM 1333 CD1 LEU A 72 14.034 3.869 7.921 1.00 33.34 C ATOM 1334 CD2 LEU A 72 12.337 2.048 7.659 1.00 72.12 C ATOM 0 H LEU A 72 12.144 4.396 11.589 1.00 4.10 H new ATOM 0 HA LEU A 72 11.125 1.996 10.251 1.00 63.14 H new ATOM 0 HB2 LEU A 72 13.785 3.424 10.436 1.00 43.25 H new ATOM 0 HB3 LEU A 72 13.704 1.768 9.867 1.00 43.25 H new ATOM 0 HG LEU A 72 12.014 3.930 8.606 1.00 71.12 H new ATOM 0 HD11 LEU A 72 13.788 4.218 6.918 1.00 33.34 H new ATOM 0 HD12 LEU A 72 14.332 4.717 8.538 1.00 33.34 H new ATOM 0 HD13 LEU A 72 14.856 3.155 7.865 1.00 33.34 H new ATOM 0 HD21 LEU A 72 12.114 2.423 6.660 1.00 72.12 H new ATOM 0 HD22 LEU A 72 13.116 1.288 7.596 1.00 72.12 H new ATOM 0 HD23 LEU A 72 11.437 1.610 8.091 1.00 72.12 H new ATOM 1346 N ALA A 73 12.650 0.251 11.595 1.00 21.44 N ATOM 1347 CA ALA A 73 13.031 -0.779 12.563 1.00 34.41 C ATOM 1348 C ALA A 73 14.234 -0.351 13.411 1.00 52.04 C ATOM 1349 O ALA A 73 14.309 -0.685 14.596 1.00 12.52 O ATOM 1350 CB ALA A 73 13.329 -2.092 11.849 1.00 51.52 C ATOM 0 H ALA A 73 12.682 -0.057 10.623 1.00 21.44 H new ATOM 0 HA ALA A 73 12.187 -0.921 13.238 1.00 34.41 H new ATOM 0 HB1 ALA A 73 13.611 -2.849 12.581 1.00 51.52 H new ATOM 0 HB2 ALA A 73 12.441 -2.422 11.309 1.00 51.52 H new ATOM 0 HB3 ALA A 73 14.148 -1.946 11.145 1.00 51.52 H new ATOM 1356 N ASP A 74 15.174 0.377 12.800 1.00 74.13 N ATOM 1357 CA ASP A 74 16.376 0.836 13.505 1.00 25.12 C ATOM 1358 C ASP A 74 16.166 2.201 14.177 1.00 64.22 C ATOM 1359 O ASP A 74 16.977 2.609 15.013 1.00 4.40 O ATOM 1360 CB ASP A 74 17.575 0.904 12.548 1.00 60.12 C ATOM 1361 CG ASP A 74 17.634 -0.276 11.592 1.00 61.21 C ATOM 1362 OD1 ASP A 74 16.895 -0.263 10.585 1.00 5.34 O ATOM 1363 OD2 ASP A 74 18.419 -1.212 11.851 1.00 1.00 O ATOM 0 H ASP A 74 15.127 0.661 11.821 1.00 74.13 H new ATOM 0 HA ASP A 74 16.582 0.107 14.288 1.00 25.12 H new ATOM 0 HB2 ASP A 74 17.523 1.829 11.973 1.00 60.12 H new ATOM 0 HB3 ASP A 74 18.496 0.941 13.129 1.00 60.12 H new ATOM 1368 N GLY A 75 15.078 2.900 13.826 1.00 41.01 N ATOM 1369 CA GLY A 75 14.801 4.198 14.429 1.00 0.13 C ATOM 1370 C GLY A 75 14.749 5.353 13.434 1.00 72.32 C ATOM 1371 O GLY A 75 14.180 6.401 13.743 1.00 65.34 O ATOM 0 H GLY A 75 14.390 2.590 13.139 1.00 41.01 H new ATOM 0 HA2 GLY A 75 13.849 4.145 14.957 1.00 0.13 H new ATOM 0 HA3 GLY A 75 15.567 4.410 15.175 1.00 0.13 H new ATOM 1375 N THR A 76 15.331 5.179 12.244 1.00 71.52 N ATOM 1376 CA THR A 76 15.323 6.239 11.230 1.00 14.02 C ATOM 1377 C THR A 76 13.896 6.536 10.781 1.00 24.24 C ATOM 1378 O THR A 76 13.197 5.651 10.284 1.00 72.14 O ATOM 1379 CB THR A 76 16.185 5.853 10.021 1.00 43.14 C ATOM 1380 OG1 THR A 76 17.534 5.666 10.413 1.00 2.34 O ATOM 1381 CG2 THR A 76 16.170 6.887 8.907 1.00 5.13 C ATOM 0 H THR A 76 15.809 4.324 11.960 1.00 71.52 H new ATOM 0 HA THR A 76 15.747 7.136 11.680 1.00 14.02 H new ATOM 0 HB THR A 76 15.747 4.931 9.639 1.00 43.14 H new ATOM 0 HG1 THR A 76 18.071 5.419 9.631 1.00 2.34 H new ATOM 0 HG21 THR A 76 16.801 6.547 8.086 1.00 5.13 H new ATOM 0 HG22 THR A 76 15.149 7.021 8.549 1.00 5.13 H new ATOM 0 HG23 THR A 76 16.549 7.836 9.286 1.00 5.13 H new ATOM 1389 N GLU A 77 13.465 7.781 10.965 1.00 21.10 N ATOM 1390 CA GLU A 77 12.115 8.183 10.583 1.00 65.25 C ATOM 1391 C GLU A 77 12.116 8.969 9.274 1.00 53.33 C ATOM 1392 O GLU A 77 13.000 9.792 9.031 1.00 12.43 O ATOM 1393 CB GLU A 77 11.461 9.011 11.692 1.00 4.23 C ATOM 1394 CG GLU A 77 12.299 10.190 12.163 1.00 42.22 C ATOM 1395 CD GLU A 77 12.949 9.942 13.508 1.00 55.32 C ATOM 1396 OE1 GLU A 77 12.212 9.790 14.504 1.00 73.52 O ATOM 1397 OE2 GLU A 77 14.195 9.898 13.566 1.00 41.12 O ATOM 0 H GLU A 77 14.029 8.526 11.375 1.00 21.10 H new ATOM 0 HA GLU A 77 11.534 7.273 10.433 1.00 65.25 H new ATOM 0 HB2 GLU A 77 10.500 9.382 11.335 1.00 4.23 H new ATOM 0 HB3 GLU A 77 11.256 8.361 12.543 1.00 4.23 H new ATOM 0 HG2 GLU A 77 13.072 10.400 11.423 1.00 42.22 H new ATOM 0 HG3 GLU A 77 11.669 11.077 12.226 1.00 42.22 H new ATOM 1404 N LEU A 78 11.107 8.711 8.441 1.00 44.02 N ATOM 1405 CA LEU A 78 10.966 9.390 7.155 1.00 74.41 C ATOM 1406 C LEU A 78 9.655 10.168 7.115 1.00 65.44 C ATOM 1407 O LEU A 78 8.695 9.815 7.806 1.00 53.24 O ATOM 1408 CB LEU A 78 10.992 8.389 5.987 1.00 53.34 C ATOM 1409 CG LEU A 78 11.948 7.195 6.125 1.00 24.10 C ATOM 1410 CD1 LEU A 78 13.285 7.622 6.716 1.00 43.13 C ATOM 1411 CD2 LEU A 78 11.307 6.099 6.965 1.00 53.31 C ATOM 0 H LEU A 78 10.372 8.032 8.637 1.00 44.02 H new ATOM 0 HA LEU A 78 11.809 10.073 7.048 1.00 74.41 H new ATOM 0 HB2 LEU A 78 9.982 8.003 5.847 1.00 53.34 H new ATOM 0 HB3 LEU A 78 11.254 8.932 5.079 1.00 53.34 H new ATOM 0 HG LEU A 78 12.142 6.799 5.128 1.00 24.10 H new ATOM 0 HD11 LEU A 78 13.939 6.754 6.801 1.00 43.13 H new ATOM 0 HD12 LEU A 78 13.749 8.364 6.067 1.00 43.13 H new ATOM 0 HD13 LEU A 78 13.125 8.054 7.704 1.00 43.13 H new ATOM 0 HD21 LEU A 78 11.996 5.259 7.054 1.00 53.31 H new ATOM 0 HD22 LEU A 78 11.078 6.488 7.957 1.00 53.31 H new ATOM 0 HD23 LEU A 78 10.387 5.764 6.486 1.00 53.31 H new ATOM 1423 N ARG A 79 9.610 11.210 6.291 1.00 45.21 N ATOM 1424 CA ARG A 79 8.407 12.016 6.150 1.00 51.34 C ATOM 1425 C ARG A 79 7.770 11.752 4.793 1.00 35.54 C ATOM 1426 O ARG A 79 8.277 12.199 3.760 1.00 14.43 O ATOM 1427 CB ARG A 79 8.723 13.504 6.315 1.00 45.42 C ATOM 1428 CG ARG A 79 7.839 14.196 7.340 1.00 13.20 C ATOM 1429 CD ARG A 79 7.840 15.705 7.155 1.00 13.10 C ATOM 1430 NE ARG A 79 8.895 16.354 7.934 1.00 40.04 N ATOM 1431 CZ ARG A 79 8.883 17.646 8.275 1.00 14.34 C ATOM 1432 NH1 ARG A 79 7.884 18.439 7.887 1.00 31.25 N ATOM 1433 NH2 ARG A 79 9.878 18.149 8.998 1.00 63.35 N ATOM 0 H ARG A 79 10.393 11.514 5.712 1.00 45.21 H new ATOM 0 HA ARG A 79 7.704 11.736 6.935 1.00 51.34 H new ATOM 0 HB2 ARG A 79 9.766 13.616 6.610 1.00 45.42 H new ATOM 0 HB3 ARG A 79 8.609 14.002 5.352 1.00 45.42 H new ATOM 0 HG2 ARG A 79 6.820 13.819 7.255 1.00 13.20 H new ATOM 0 HG3 ARG A 79 8.186 13.952 8.344 1.00 13.20 H new ATOM 0 HD2 ARG A 79 7.973 15.940 6.099 1.00 13.10 H new ATOM 0 HD3 ARG A 79 6.871 16.107 7.452 1.00 13.10 H new ATOM 0 HE ARG A 79 9.687 15.786 8.235 1.00 40.04 H new ATOM 0 HH11 ARG A 79 7.121 18.061 7.326 1.00 31.25 H new ATOM 0 HH12 ARG A 79 7.883 19.424 8.152 1.00 31.25 H new ATOM 0 HH21 ARG A 79 10.649 17.549 9.292 1.00 63.35 H new ATOM 0 HH22 ARG A 79 9.871 19.135 9.259 1.00 63.35 H new ATOM 1447 N GLY A 80 6.668 11.010 4.800 1.00 20.12 N ATOM 1448 CA GLY A 80 5.986 10.684 3.565 1.00 5.12 C ATOM 1449 C GLY A 80 4.573 10.176 3.791 1.00 23.10 C ATOM 1450 O GLY A 80 4.107 10.107 4.932 1.00 3.42 O ATOM 0 H GLY A 80 6.236 10.629 5.641 1.00 20.12 H new ATOM 0 HA2 GLY A 80 5.952 11.569 2.929 1.00 5.12 H new ATOM 0 HA3 GLY A 80 6.558 9.927 3.028 1.00 5.12 H new ATOM 1454 N THR A 81 3.895 9.813 2.698 1.00 23.20 N ATOM 1455 CA THR A 81 2.521 9.290 2.756 1.00 3.01 C ATOM 1456 C THR A 81 2.022 8.929 1.356 1.00 23.23 C ATOM 1457 O THR A 81 2.809 8.848 0.409 1.00 65.31 O ATOM 1458 CB THR A 81 1.545 10.293 3.404 1.00 44.13 C ATOM 1459 OG1 THR A 81 2.190 11.506 3.744 1.00 5.01 O ATOM 1460 CG2 THR A 81 0.873 9.750 4.654 1.00 53.55 C ATOM 0 H THR A 81 4.277 9.871 1.754 1.00 23.20 H new ATOM 0 HA THR A 81 2.550 8.395 3.378 1.00 3.01 H new ATOM 0 HB THR A 81 0.782 10.471 2.646 1.00 44.13 H new ATOM 0 HG1 THR A 81 2.822 11.347 4.476 1.00 5.01 H new ATOM 0 HG21 THR A 81 0.199 10.504 5.061 1.00 53.55 H new ATOM 0 HG22 THR A 81 0.306 8.854 4.402 1.00 53.55 H new ATOM 0 HG23 THR A 81 1.632 9.502 5.396 1.00 53.55 H new ATOM 1468 N TRP A 82 0.709 8.713 1.234 1.00 2.44 N ATOM 1469 CA TRP A 82 0.105 8.362 -0.045 1.00 71.44 C ATOM 1470 C TRP A 82 -0.945 9.389 -0.466 1.00 1.42 C ATOM 1471 O TRP A 82 -1.585 10.024 0.377 1.00 12.53 O ATOM 1472 CB TRP A 82 -0.525 6.973 0.035 1.00 1.30 C ATOM 1473 CG TRP A 82 0.470 5.868 -0.111 1.00 33.42 C ATOM 1474 CD1 TRP A 82 1.328 5.405 0.845 1.00 4.21 C ATOM 1475 CD2 TRP A 82 0.714 5.088 -1.283 1.00 22.31 C ATOM 1476 NE1 TRP A 82 2.089 4.381 0.337 1.00 0.34 N ATOM 1477 CE2 TRP A 82 1.730 4.167 -0.968 1.00 33.30 C ATOM 1478 CE3 TRP A 82 0.169 5.077 -2.570 1.00 34.10 C ATOM 1479 CZ2 TRP A 82 2.213 3.247 -1.892 1.00 32.11 C ATOM 1480 CZ3 TRP A 82 0.650 4.164 -3.486 1.00 51.42 C ATOM 1481 CH2 TRP A 82 1.663 3.259 -3.143 1.00 21.24 C ATOM 0 H TRP A 82 0.048 8.776 2.008 1.00 2.44 H new ATOM 0 HA TRP A 82 0.893 8.358 -0.798 1.00 71.44 H new ATOM 0 HB2 TRP A 82 -1.038 6.868 0.991 1.00 1.30 H new ATOM 0 HB3 TRP A 82 -1.281 6.878 -0.744 1.00 1.30 H new ATOM 0 HD1 TRP A 82 1.398 5.788 1.852 1.00 4.21 H new ATOM 0 HE1 TRP A 82 2.805 3.864 0.848 1.00 0.34 H new ATOM 0 HE3 TRP A 82 -0.614 5.770 -2.842 1.00 34.10 H new ATOM 0 HZ2 TRP A 82 2.994 2.549 -1.631 1.00 32.11 H new ATOM 0 HZ3 TRP A 82 0.239 4.147 -4.484 1.00 51.42 H new ATOM 0 HH2 TRP A 82 2.017 2.556 -3.883 1.00 21.24 H new ATOM 1492 N SER A 83 -1.114 9.541 -1.778 1.00 0.45 N ATOM 1493 CA SER A 83 -2.081 10.480 -2.333 1.00 45.33 C ATOM 1494 C SER A 83 -2.359 10.166 -3.797 1.00 14.00 C ATOM 1495 O SER A 83 -1.433 9.929 -4.574 1.00 21.33 O ATOM 1496 CB SER A 83 -1.575 11.917 -2.199 1.00 45.54 C ATOM 1497 OG SER A 83 -2.518 12.726 -1.516 1.00 64.21 O ATOM 0 H SER A 83 -0.588 9.020 -2.480 1.00 0.45 H new ATOM 0 HA SER A 83 -3.009 10.378 -1.770 1.00 45.33 H new ATOM 0 HB2 SER A 83 -0.627 11.924 -1.661 1.00 45.54 H new ATOM 0 HB3 SER A 83 -1.383 12.332 -3.188 1.00 45.54 H new ATOM 0 HG SER A 83 -2.249 13.666 -1.580 1.00 64.21 H new ATOM 1503 N LEU A 84 -3.638 10.162 -4.170 1.00 31.40 N ATOM 1504 CA LEU A 84 -4.026 9.877 -5.543 1.00 34.22 C ATOM 1505 C LEU A 84 -3.922 11.129 -6.407 1.00 61.13 C ATOM 1506 O LEU A 84 -4.291 12.228 -5.984 1.00 43.23 O ATOM 1507 CB LEU A 84 -5.453 9.312 -5.591 1.00 23.12 C ATOM 1508 CG LEU A 84 -6.237 9.590 -6.881 1.00 1.51 C ATOM 1509 CD1 LEU A 84 -5.918 8.553 -7.949 1.00 32.23 C ATOM 1510 CD2 LEU A 84 -7.726 9.614 -6.589 1.00 4.53 C ATOM 0 H LEU A 84 -4.418 10.353 -3.540 1.00 31.40 H new ATOM 0 HA LEU A 84 -3.341 9.129 -5.942 1.00 34.22 H new ATOM 0 HB2 LEU A 84 -5.402 8.233 -5.444 1.00 23.12 H new ATOM 0 HB3 LEU A 84 -6.014 9.722 -4.751 1.00 23.12 H new ATOM 0 HG LEU A 84 -5.936 10.566 -7.263 1.00 1.51 H new ATOM 0 HD11 LEU A 84 -6.487 8.774 -8.852 1.00 32.23 H new ATOM 0 HD12 LEU A 84 -4.852 8.580 -8.176 1.00 32.23 H new ATOM 0 HD13 LEU A 84 -6.186 7.561 -7.585 1.00 32.23 H new ATOM 0 HD21 LEU A 84 -8.274 9.812 -7.510 1.00 4.53 H new ATOM 0 HD22 LEU A 84 -8.033 8.650 -6.184 1.00 4.53 H new ATOM 0 HD23 LEU A 84 -7.942 10.398 -5.863 1.00 4.53 H new ATOM 1522 N GLU A 85 -3.435 10.941 -7.625 1.00 64.11 N ATOM 1523 CA GLU A 85 -3.294 12.034 -8.581 1.00 75.32 C ATOM 1524 C GLU A 85 -3.684 11.554 -9.968 1.00 62.42 C ATOM 1525 O GLU A 85 -3.273 10.475 -10.401 1.00 4.22 O ATOM 1526 CB GLU A 85 -1.869 12.584 -8.590 1.00 42.01 C ATOM 1527 CG GLU A 85 -1.544 13.447 -7.378 1.00 31.23 C ATOM 1528 CD GLU A 85 -1.346 14.912 -7.730 1.00 52.24 C ATOM 1529 OE1 GLU A 85 -2.226 15.489 -8.407 1.00 22.42 O ATOM 1530 OE2 GLU A 85 -0.312 15.483 -7.326 1.00 72.51 O ATOM 0 H GLU A 85 -3.128 10.035 -7.978 1.00 64.11 H new ATOM 0 HA GLU A 85 -3.959 12.843 -8.278 1.00 75.32 H new ATOM 0 HB2 GLU A 85 -1.167 11.751 -8.632 1.00 42.01 H new ATOM 0 HB3 GLU A 85 -1.721 13.172 -9.496 1.00 42.01 H new ATOM 0 HG2 GLU A 85 -2.350 13.360 -6.650 1.00 31.23 H new ATOM 0 HG3 GLU A 85 -0.640 13.068 -6.901 1.00 31.23 H new ATOM 1537 N GLY A 86 -4.495 12.350 -10.647 1.00 12.52 N ATOM 1538 CA GLY A 86 -4.957 11.988 -11.968 1.00 64.22 C ATOM 1539 C GLY A 86 -5.825 10.757 -11.931 1.00 60.35 C ATOM 1540 O GLY A 86 -6.982 10.805 -11.513 1.00 22.34 O ATOM 0 H GLY A 86 -4.843 13.245 -10.303 1.00 12.52 H new ATOM 0 HA2 GLY A 86 -5.518 12.817 -12.398 1.00 64.22 H new ATOM 0 HA3 GLY A 86 -4.100 11.811 -12.618 1.00 64.22 H new ATOM 1544 N ASN A 87 -5.250 9.658 -12.367 1.00 1.24 N ATOM 1545 CA ASN A 87 -5.941 8.370 -12.393 1.00 21.44 C ATOM 1546 C ASN A 87 -5.125 7.272 -11.698 1.00 4.41 C ATOM 1547 O ASN A 87 -5.386 6.084 -11.898 1.00 23.54 O ATOM 1548 CB ASN A 87 -6.228 7.975 -13.840 1.00 60.33 C ATOM 1549 CG ASN A 87 -7.714 7.888 -14.145 1.00 23.22 C ATOM 1550 OD1 ASN A 87 -8.175 6.918 -14.750 1.00 61.22 O ATOM 1551 ND2 ASN A 87 -8.474 8.901 -13.734 1.00 63.23 N ATOM 0 H ASN A 87 -4.292 9.623 -12.715 1.00 1.24 H new ATOM 0 HA ASN A 87 -6.878 8.477 -11.846 1.00 21.44 H new ATOM 0 HB2 ASN A 87 -5.767 8.702 -14.508 1.00 60.33 H new ATOM 0 HB3 ASN A 87 -5.762 7.012 -14.048 1.00 60.33 H new ATOM 0 HD21 ASN A 87 -9.477 8.893 -13.917 1.00 63.23 H new ATOM 0 HD22 ASN A 87 -8.053 9.685 -13.236 1.00 63.23 H new ATOM 1558 N LYS A 88 -4.132 7.666 -10.893 1.00 64.32 N ATOM 1559 CA LYS A 88 -3.280 6.691 -10.195 1.00 52.43 C ATOM 1560 C LYS A 88 -2.946 7.140 -8.771 1.00 52.45 C ATOM 1561 O LYS A 88 -3.107 8.312 -8.426 1.00 52.42 O ATOM 1562 CB LYS A 88 -1.989 6.459 -10.987 1.00 32.32 C ATOM 1563 CG LYS A 88 -2.023 5.212 -11.860 1.00 55.01 C ATOM 1564 CD LYS A 88 -2.523 5.522 -13.263 1.00 71.31 C ATOM 1565 CE LYS A 88 -2.315 4.347 -14.208 1.00 53.02 C ATOM 1566 NZ LYS A 88 -3.399 3.330 -14.090 1.00 72.34 N ATOM 0 H LYS A 88 -3.898 8.642 -10.709 1.00 64.32 H new ATOM 0 HA LYS A 88 -3.839 5.758 -10.125 1.00 52.43 H new ATOM 0 HB2 LYS A 88 -1.798 7.328 -11.617 1.00 32.32 H new ATOM 0 HB3 LYS A 88 -1.154 6.381 -10.290 1.00 32.32 H new ATOM 0 HG2 LYS A 88 -1.024 4.780 -11.917 1.00 55.01 H new ATOM 0 HG3 LYS A 88 -2.668 4.463 -11.401 1.00 55.01 H new ATOM 0 HD2 LYS A 88 -3.583 5.774 -13.224 1.00 71.31 H new ATOM 0 HD3 LYS A 88 -2.001 6.397 -13.650 1.00 71.31 H new ATOM 0 HE2 LYS A 88 -2.272 4.712 -15.234 1.00 53.02 H new ATOM 0 HE3 LYS A 88 -1.354 3.878 -13.996 1.00 53.02 H new ATOM 0 HZ1 LYS A 88 -3.322 2.648 -14.871 1.00 72.34 H new ATOM 0 HZ2 LYS A 88 -3.308 2.829 -13.183 1.00 72.34 H new ATOM 0 HZ3 LYS A 88 -4.324 3.802 -14.133 1.00 72.34 H new ATOM 1580 N LEU A 89 -2.480 6.193 -7.944 1.00 61.13 N ATOM 1581 CA LEU A 89 -2.133 6.493 -6.554 1.00 43.02 C ATOM 1582 C LEU A 89 -0.633 6.649 -6.354 1.00 44.33 C ATOM 1583 O LEU A 89 0.165 5.837 -6.830 1.00 32.12 O ATOM 1584 CB LEU A 89 -2.679 5.428 -5.605 1.00 42.03 C ATOM 1585 CG LEU A 89 -3.762 5.952 -4.671 1.00 14.45 C ATOM 1586 CD1 LEU A 89 -4.793 4.883 -4.368 1.00 0.51 C ATOM 1587 CD2 LEU A 89 -3.158 6.505 -3.391 1.00 0.44 C ATOM 0 H LEU A 89 -2.337 5.220 -8.214 1.00 61.13 H new ATOM 0 HA LEU A 89 -2.601 7.449 -6.319 1.00 43.02 H new ATOM 0 HB2 LEU A 89 -3.082 4.602 -6.191 1.00 42.03 H new ATOM 0 HB3 LEU A 89 -1.859 5.026 -5.010 1.00 42.03 H new ATOM 0 HG LEU A 89 -4.272 6.768 -5.182 1.00 14.45 H new ATOM 0 HD11 LEU A 89 -5.552 5.289 -3.699 1.00 0.51 H new ATOM 0 HD12 LEU A 89 -5.264 4.558 -5.296 1.00 0.51 H new ATOM 0 HD13 LEU A 89 -4.306 4.033 -3.891 1.00 0.51 H new ATOM 0 HD21 LEU A 89 -3.953 6.872 -2.742 1.00 0.44 H new ATOM 0 HD22 LEU A 89 -2.607 5.717 -2.878 1.00 0.44 H new ATOM 0 HD23 LEU A 89 -2.480 7.323 -3.633 1.00 0.44 H new ATOM 1599 N ILE A 90 -0.275 7.717 -5.643 1.00 20.31 N ATOM 1600 CA ILE A 90 1.114 8.051 -5.357 1.00 1.33 C ATOM 1601 C ILE A 90 1.494 7.765 -3.904 1.00 73.44 C ATOM 1602 O ILE A 90 0.726 8.039 -2.982 1.00 20.44 O ATOM 1603 CB ILE A 90 1.367 9.550 -5.632 1.00 4.10 C ATOM 1604 CG1 ILE A 90 0.969 9.914 -7.067 1.00 51.03 C ATOM 1605 CG2 ILE A 90 2.826 9.911 -5.374 1.00 1.00 C ATOM 1606 CD1 ILE A 90 1.630 9.051 -8.123 1.00 22.33 C ATOM 0 H ILE A 90 -0.946 8.376 -5.248 1.00 20.31 H new ATOM 0 HA ILE A 90 1.725 7.425 -6.008 1.00 1.33 H new ATOM 0 HB ILE A 90 0.746 10.127 -4.947 1.00 4.10 H new ATOM 0 HG12 ILE A 90 -0.113 9.829 -7.167 1.00 51.03 H new ATOM 0 HG13 ILE A 90 1.225 10.957 -7.251 1.00 51.03 H new ATOM 0 HG21 ILE A 90 2.979 10.971 -5.574 1.00 1.00 H new ATOM 0 HG22 ILE A 90 3.075 9.699 -4.334 1.00 1.00 H new ATOM 0 HG23 ILE A 90 3.468 9.321 -6.029 1.00 1.00 H new ATOM 0 HD11 ILE A 90 1.299 9.369 -9.112 1.00 22.33 H new ATOM 0 HD12 ILE A 90 2.713 9.154 -8.052 1.00 22.33 H new ATOM 0 HD13 ILE A 90 1.354 8.008 -7.966 1.00 22.33 H new ATOM 1618 N GLY A 91 2.706 7.248 -3.718 1.00 11.44 N ATOM 1619 CA GLY A 91 3.224 6.965 -2.393 1.00 34.30 C ATOM 1620 C GLY A 91 4.671 7.399 -2.302 1.00 1.33 C ATOM 1621 O GLY A 91 5.515 6.889 -3.038 1.00 53.25 O ATOM 0 H GLY A 91 3.347 7.017 -4.477 1.00 11.44 H new ATOM 0 HA2 GLY A 91 2.631 7.487 -1.642 1.00 34.30 H new ATOM 0 HA3 GLY A 91 3.141 5.899 -2.181 1.00 34.30 H new ATOM 1625 N LYS A 92 4.966 8.370 -1.444 1.00 23.42 N ATOM 1626 CA LYS A 92 6.328 8.876 -1.336 1.00 62.21 C ATOM 1627 C LYS A 92 6.791 9.048 0.104 1.00 60.24 C ATOM 1628 O LYS A 92 6.037 9.495 0.968 1.00 45.22 O ATOM 1629 CB LYS A 92 6.438 10.209 -2.069 1.00 51.24 C ATOM 1630 CG LYS A 92 7.098 10.093 -3.430 1.00 23.40 C ATOM 1631 CD LYS A 92 6.406 10.967 -4.465 1.00 20.43 C ATOM 1632 CE LYS A 92 6.576 12.448 -4.157 1.00 73.31 C ATOM 1633 NZ LYS A 92 7.459 13.126 -5.145 1.00 21.42 N ATOM 0 H LYS A 92 4.291 8.816 -0.822 1.00 23.42 H new ATOM 0 HA LYS A 92 6.979 8.130 -1.792 1.00 62.21 H new ATOM 0 HB2 LYS A 92 5.441 10.632 -2.191 1.00 51.24 H new ATOM 0 HB3 LYS A 92 7.007 10.907 -1.455 1.00 51.24 H new ATOM 0 HG2 LYS A 92 8.146 10.381 -3.352 1.00 23.40 H new ATOM 0 HG3 LYS A 92 7.077 9.054 -3.758 1.00 23.40 H new ATOM 0 HD2 LYS A 92 6.813 10.752 -5.453 1.00 20.43 H new ATOM 0 HD3 LYS A 92 5.344 10.722 -4.497 1.00 20.43 H new ATOM 0 HE2 LYS A 92 5.599 12.932 -4.152 1.00 73.31 H new ATOM 0 HE3 LYS A 92 6.994 12.565 -3.157 1.00 73.31 H new ATOM 0 HZ1 LYS A 92 7.427 14.154 -4.991 1.00 21.42 H new ATOM 0 HZ2 LYS A 92 8.436 12.788 -5.027 1.00 21.42 H new ATOM 0 HZ3 LYS A 92 7.132 12.910 -6.108 1.00 21.42 H new ATOM 1647 N PHE A 93 8.061 8.716 0.326 1.00 55.42 N ATOM 1648 CA PHE A 93 8.702 8.847 1.631 1.00 52.52 C ATOM 1649 C PHE A 93 10.168 9.222 1.421 1.00 0.02 C ATOM 1650 O PHE A 93 10.813 8.701 0.507 1.00 21.33 O ATOM 1651 CB PHE A 93 8.599 7.548 2.438 1.00 22.45 C ATOM 1652 CG PHE A 93 7.196 7.188 2.842 1.00 11.02 C ATOM 1653 CD1 PHE A 93 6.353 6.527 1.961 1.00 61.11 C ATOM 1654 CD2 PHE A 93 6.720 7.509 4.102 1.00 4.00 C ATOM 1655 CE1 PHE A 93 5.064 6.194 2.331 1.00 3.31 C ATOM 1656 CE2 PHE A 93 5.431 7.179 4.477 1.00 14.40 C ATOM 1657 CZ PHE A 93 4.602 6.520 3.590 1.00 43.22 C ATOM 0 H PHE A 93 8.677 8.347 -0.399 1.00 55.42 H new ATOM 0 HA PHE A 93 8.192 9.625 2.199 1.00 52.52 H new ATOM 0 HB2 PHE A 93 9.017 6.732 1.848 1.00 22.45 H new ATOM 0 HB3 PHE A 93 9.212 7.640 3.335 1.00 22.45 H new ATOM 0 HD1 PHE A 93 6.708 6.270 0.974 1.00 61.11 H new ATOM 0 HD2 PHE A 93 7.364 8.023 4.800 1.00 4.00 H new ATOM 0 HE1 PHE A 93 4.418 5.679 1.635 1.00 3.31 H new ATOM 0 HE2 PHE A 93 5.072 7.436 5.463 1.00 14.40 H new ATOM 0 HZ PHE A 93 3.595 6.261 3.881 1.00 43.22 H new ATOM 1667 N LYS A 94 10.687 10.144 2.231 1.00 20.41 N ATOM 1668 CA LYS A 94 12.075 10.591 2.069 1.00 73.43 C ATOM 1669 C LYS A 94 12.921 10.421 3.329 1.00 0.35 C ATOM 1670 O LYS A 94 12.486 10.760 4.433 1.00 11.12 O ATOM 1671 CB LYS A 94 12.100 12.065 1.662 1.00 3.53 C ATOM 1672 CG LYS A 94 12.033 12.294 0.163 1.00 3.51 C ATOM 1673 CD LYS A 94 13.206 13.133 -0.315 1.00 21.40 C ATOM 1674 CE LYS A 94 12.894 14.621 -0.263 1.00 74.22 C ATOM 1675 NZ LYS A 94 12.142 15.077 -1.465 1.00 44.32 N ATOM 0 H LYS A 94 10.180 10.591 2.995 1.00 20.41 H new ATOM 0 HA LYS A 94 12.509 9.958 1.295 1.00 73.43 H new ATOM 0 HB2 LYS A 94 11.261 12.576 2.135 1.00 3.53 H new ATOM 0 HB3 LYS A 94 13.011 12.522 2.049 1.00 3.53 H new ATOM 0 HG2 LYS A 94 12.033 11.335 -0.355 1.00 3.51 H new ATOM 0 HG3 LYS A 94 11.098 12.793 -0.090 1.00 3.51 H new ATOM 0 HD2 LYS A 94 14.079 12.923 0.303 1.00 21.40 H new ATOM 0 HD3 LYS A 94 13.463 12.851 -1.336 1.00 21.40 H new ATOM 0 HE2 LYS A 94 12.312 14.838 0.633 1.00 74.22 H new ATOM 0 HE3 LYS A 94 13.824 15.184 -0.183 1.00 74.22 H new ATOM 0 HZ1 LYS A 94 11.965 16.100 -1.397 1.00 44.32 H new ATOM 0 HZ2 LYS A 94 12.700 14.879 -2.320 1.00 44.32 H new ATOM 0 HZ3 LYS A 94 11.235 14.572 -1.519 1.00 44.32 H new ATOM 1689 N ARG A 95 14.160 9.939 3.140 1.00 20.31 N ATOM 1690 CA ARG A 95 15.102 9.778 4.250 1.00 34.34 C ATOM 1691 C ARG A 95 15.414 11.140 4.863 1.00 4.43 C ATOM 1692 O ARG A 95 15.420 12.156 4.164 1.00 43.14 O ATOM 1693 CB ARG A 95 16.414 9.166 3.761 1.00 61.13 C ATOM 1694 CG ARG A 95 16.397 7.656 3.631 1.00 63.13 C ATOM 1695 CD ARG A 95 17.302 7.193 2.501 1.00 21.50 C ATOM 1696 NE ARG A 95 18.156 6.072 2.899 1.00 13.12 N ATOM 1697 CZ ARG A 95 19.470 5.992 2.650 1.00 2.33 C ATOM 1698 NH1 ARG A 95 20.121 7.000 2.072 1.00 45.44 N ATOM 1699 NH2 ARG A 95 20.140 4.899 3.000 1.00 1.10 N ATOM 0 H ARG A 95 14.528 9.656 2.232 1.00 20.31 H new ATOM 0 HA ARG A 95 14.643 9.120 4.988 1.00 34.34 H new ATOM 0 HB2 ARG A 95 16.662 9.598 2.791 1.00 61.13 H new ATOM 0 HB3 ARG A 95 17.210 9.449 4.449 1.00 61.13 H new ATOM 0 HG2 ARG A 95 16.720 7.204 4.568 1.00 63.13 H new ATOM 0 HG3 ARG A 95 15.378 7.315 3.448 1.00 63.13 H new ATOM 0 HD2 ARG A 95 16.692 6.897 1.647 1.00 21.50 H new ATOM 0 HD3 ARG A 95 17.926 8.025 2.174 1.00 21.50 H new ATOM 0 HE ARG A 95 17.720 5.298 3.401 1.00 13.12 H new ATOM 0 HH11 ARG A 95 19.619 7.849 1.812 1.00 45.44 H new ATOM 0 HH12 ARG A 95 21.122 6.923 1.889 1.00 45.44 H new ATOM 0 HH21 ARG A 95 19.654 4.127 3.456 1.00 1.10 H new ATOM 0 HH22 ARG A 95 21.140 4.832 2.813 1.00 1.10 H new ATOM 1713 N THR A 96 15.708 11.156 6.157 1.00 12.42 N ATOM 1714 CA THR A 96 16.051 12.398 6.844 1.00 71.44 C ATOM 1715 C THR A 96 17.548 12.682 6.717 1.00 43.04 C ATOM 1716 O THR A 96 17.990 13.820 6.884 1.00 55.51 O ATOM 1717 CB THR A 96 15.638 12.325 8.321 1.00 14.53 C ATOM 1718 OG1 THR A 96 15.943 13.536 8.992 1.00 23.42 O ATOM 1719 CG2 THR A 96 16.302 11.197 9.084 1.00 13.31 C ATOM 0 H THR A 96 15.716 10.327 6.751 1.00 12.42 H new ATOM 0 HA THR A 96 15.505 13.216 6.375 1.00 71.44 H new ATOM 0 HB THR A 96 14.564 12.142 8.304 1.00 14.53 H new ATOM 0 HG1 THR A 96 15.670 13.468 9.931 1.00 23.42 H new ATOM 0 HG21 THR A 96 15.962 11.209 10.120 1.00 13.31 H new ATOM 0 HG22 THR A 96 16.039 10.244 8.626 1.00 13.31 H new ATOM 0 HG23 THR A 96 17.384 11.326 9.056 1.00 13.31 H new ATOM 1727 N ASP A 97 18.319 11.635 6.417 1.00 52.55 N ATOM 1728 CA ASP A 97 19.767 11.752 6.265 1.00 20.54 C ATOM 1729 C ASP A 97 20.139 12.724 5.145 1.00 75.24 C ATOM 1730 O ASP A 97 20.685 13.796 5.407 1.00 61.44 O ATOM 1731 CB ASP A 97 20.413 10.378 5.997 1.00 0.20 C ATOM 1732 CG ASP A 97 19.446 9.336 5.467 1.00 24.51 C ATOM 1733 OD1 ASP A 97 18.689 8.759 6.277 1.00 61.23 O ATOM 1734 OD2 ASP A 97 19.444 9.103 4.241 1.00 60.22 O ATOM 0 H ASP A 97 17.960 10.691 6.274 1.00 52.55 H new ATOM 0 HA ASP A 97 20.153 12.145 7.206 1.00 20.54 H new ATOM 0 HB2 ASP A 97 21.225 10.503 5.281 1.00 0.20 H new ATOM 0 HB3 ASP A 97 20.857 10.010 6.922 1.00 0.20 H new ATOM 1739 N ASN A 98 19.861 12.338 3.899 1.00 54.01 N ATOM 1740 CA ASN A 98 20.195 13.179 2.746 1.00 64.15 C ATOM 1741 C ASN A 98 18.962 13.587 1.937 1.00 33.43 C ATOM 1742 O ASN A 98 19.057 14.471 1.084 1.00 60.31 O ATOM 1743 CB ASN A 98 21.194 12.470 1.819 1.00 55.15 C ATOM 1744 CG ASN A 98 21.774 11.206 2.424 1.00 41.12 C ATOM 1745 OD1 ASN A 98 22.714 11.259 3.215 1.00 42.33 O ATOM 1746 ND2 ASN A 98 21.214 10.060 2.053 1.00 12.13 N ATOM 0 H ASN A 98 19.409 11.455 3.662 1.00 54.01 H new ATOM 0 HA ASN A 98 20.646 14.084 3.153 1.00 64.15 H new ATOM 0 HB2 ASN A 98 20.697 12.222 0.881 1.00 55.15 H new ATOM 0 HB3 ASN A 98 22.006 13.156 1.578 1.00 55.15 H new ATOM 0 HD21 ASN A 98 21.562 9.177 2.427 1.00 12.13 H new ATOM 0 HD22 ASN A 98 20.436 10.063 1.394 1.00 12.13 H new ATOM 1753 N GLY A 99 17.807 12.958 2.190 1.00 14.42 N ATOM 1754 CA GLY A 99 16.615 13.312 1.445 1.00 60.44 C ATOM 1755 C GLY A 99 16.395 12.437 0.223 1.00 33.13 C ATOM 1756 O GLY A 99 15.946 12.930 -0.813 1.00 20.23 O ATOM 0 H GLY A 99 17.683 12.223 2.886 1.00 14.42 H new ATOM 0 HA2 GLY A 99 15.748 13.235 2.101 1.00 60.44 H new ATOM 0 HA3 GLY A 99 16.686 14.353 1.131 1.00 60.44 H new ATOM 1760 N ASN A 100 16.711 11.142 0.327 1.00 74.43 N ATOM 1761 CA ASN A 100 16.528 10.232 -0.803 1.00 44.31 C ATOM 1762 C ASN A 100 15.044 10.065 -1.108 1.00 43.34 C ATOM 1763 O ASN A 100 14.279 9.573 -0.275 1.00 1.23 O ATOM 1764 CB ASN A 100 17.153 8.868 -0.526 1.00 32.25 C ATOM 1765 CG ASN A 100 18.625 8.968 -0.183 1.00 2.45 C ATOM 1766 OD1 ASN A 100 18.984 9.326 0.938 1.00 53.33 O ATOM 1767 ND2 ASN A 100 19.489 8.661 -1.146 1.00 24.11 N ATOM 0 H ASN A 100 17.089 10.708 1.169 1.00 74.43 H new ATOM 0 HA ASN A 100 17.030 10.668 -1.666 1.00 44.31 H new ATOM 0 HB2 ASN A 100 16.623 8.388 0.297 1.00 32.25 H new ATOM 0 HB3 ASN A 100 17.029 8.230 -1.401 1.00 32.25 H new ATOM 0 HD21 ASN A 100 20.492 8.718 -0.969 1.00 24.11 H new ATOM 0 HD22 ASN A 100 19.149 8.368 -2.062 1.00 24.11 H new ATOM 1774 N GLU A 101 14.641 10.501 -2.295 1.00 22.52 N ATOM 1775 CA GLU A 101 13.251 10.430 -2.711 1.00 32.12 C ATOM 1776 C GLU A 101 12.870 9.050 -3.226 1.00 22.24 C ATOM 1777 O GLU A 101 13.314 8.633 -4.297 1.00 42.32 O ATOM 1778 CB GLU A 101 12.968 11.467 -3.798 1.00 2.45 C ATOM 1779 CG GLU A 101 11.892 12.456 -3.406 1.00 1.02 C ATOM 1780 CD GLU A 101 10.503 11.843 -3.413 1.00 13.44 C ATOM 1781 OE1 GLU A 101 10.095 11.279 -2.375 1.00 64.13 O ATOM 1782 OE2 GLU A 101 9.824 11.926 -4.459 1.00 74.23 O ATOM 0 H GLU A 101 15.265 10.910 -2.990 1.00 22.52 H new ATOM 0 HA GLU A 101 12.647 10.638 -1.828 1.00 32.12 H new ATOM 0 HB2 GLU A 101 13.887 12.009 -4.024 1.00 2.45 H new ATOM 0 HB3 GLU A 101 12.667 10.955 -4.712 1.00 2.45 H new ATOM 0 HG2 GLU A 101 12.108 12.846 -2.411 1.00 1.02 H new ATOM 0 HG3 GLU A 101 11.915 13.303 -4.092 1.00 1.02 H new ATOM 1789 N LEU A 102 12.007 8.368 -2.478 1.00 41.21 N ATOM 1790 CA LEU A 102 11.519 7.059 -2.886 1.00 2.00 C ATOM 1791 C LEU A 102 10.105 7.202 -3.404 1.00 35.24 C ATOM 1792 O LEU A 102 9.332 8.020 -2.897 1.00 65.52 O ATOM 1793 CB LEU A 102 11.535 6.055 -1.741 1.00 20.22 C ATOM 1794 CG LEU A 102 11.306 4.601 -2.168 1.00 63.55 C ATOM 1795 CD1 LEU A 102 12.615 3.953 -2.593 1.00 24.43 C ATOM 1796 CD2 LEU A 102 10.648 3.807 -1.051 1.00 61.14 C ATOM 0 H LEU A 102 11.634 8.701 -1.589 1.00 41.21 H new ATOM 0 HA LEU A 102 12.183 6.682 -3.664 1.00 2.00 H new ATOM 0 HB2 LEU A 102 12.494 6.123 -1.228 1.00 20.22 H new ATOM 0 HB3 LEU A 102 10.767 6.334 -1.019 1.00 20.22 H new ATOM 0 HG LEU A 102 10.632 4.600 -3.025 1.00 63.55 H new ATOM 0 HD11 LEU A 102 12.430 2.921 -2.892 1.00 24.43 H new ATOM 0 HD12 LEU A 102 13.038 4.504 -3.433 1.00 24.43 H new ATOM 0 HD13 LEU A 102 13.316 3.969 -1.759 1.00 24.43 H new ATOM 0 HD21 LEU A 102 10.495 2.778 -1.377 1.00 61.14 H new ATOM 0 HD22 LEU A 102 11.290 3.817 -0.170 1.00 61.14 H new ATOM 0 HD23 LEU A 102 9.686 4.256 -0.804 1.00 61.14 H new ATOM 1808 N ASN A 103 9.767 6.425 -4.418 1.00 22.34 N ATOM 1809 CA ASN A 103 8.439 6.505 -4.996 1.00 0.05 C ATOM 1810 C ASN A 103 7.775 5.137 -5.056 1.00 32.40 C ATOM 1811 O ASN A 103 8.376 4.163 -5.508 1.00 33.12 O ATOM 1812 CB ASN A 103 8.492 7.139 -6.397 1.00 52.15 C ATOM 1813 CG ASN A 103 9.885 7.624 -6.776 1.00 74.21 C ATOM 1814 OD1 ASN A 103 10.505 7.102 -7.702 1.00 52.44 O ATOM 1815 ND2 ASN A 103 10.384 8.627 -6.056 1.00 22.52 N ATOM 0 H ASN A 103 10.385 5.740 -4.853 1.00 22.34 H new ATOM 0 HA ASN A 103 7.836 7.141 -4.348 1.00 0.05 H new ATOM 0 HB2 ASN A 103 8.154 6.410 -7.133 1.00 52.15 H new ATOM 0 HB3 ASN A 103 7.797 7.978 -6.437 1.00 52.15 H new ATOM 0 HD21 ASN A 103 11.314 8.991 -6.264 1.00 22.52 H new ATOM 0 HD22 ASN A 103 9.836 9.031 -5.296 1.00 22.52 H new ATOM 1822 N THR A 104 6.529 5.074 -4.596 1.00 21.42 N ATOM 1823 CA THR A 104 5.775 3.827 -4.597 1.00 25.23 C ATOM 1824 C THR A 104 4.365 4.034 -5.148 1.00 51.23 C ATOM 1825 O THR A 104 3.638 4.922 -4.705 1.00 61.42 O ATOM 1826 CB THR A 104 5.718 3.226 -3.186 1.00 42.52 C ATOM 1827 OG1 THR A 104 4.907 2.063 -3.161 1.00 23.22 O ATOM 1828 CG2 THR A 104 5.187 4.173 -2.132 1.00 24.22 C ATOM 0 H THR A 104 6.021 5.873 -4.218 1.00 21.42 H new ATOM 0 HA THR A 104 6.293 3.126 -5.251 1.00 25.23 H new ATOM 0 HB THR A 104 6.756 2.995 -2.946 1.00 42.52 H new ATOM 0 HG1 THR A 104 5.301 1.403 -2.553 1.00 23.22 H new ATOM 0 HG21 THR A 104 5.179 3.672 -1.164 1.00 24.22 H new ATOM 0 HG22 THR A 104 5.826 5.054 -2.079 1.00 24.22 H new ATOM 0 HG23 THR A 104 4.173 4.476 -2.393 1.00 24.22 H new ATOM 1836 N VAL A 105 3.994 3.204 -6.119 1.00 20.15 N ATOM 1837 CA VAL A 105 2.667 3.283 -6.744 1.00 20.20 C ATOM 1838 C VAL A 105 1.803 2.085 -6.343 1.00 42.35 C ATOM 1839 O VAL A 105 2.304 0.961 -6.253 1.00 42.25 O ATOM 1840 CB VAL A 105 2.762 3.338 -8.288 1.00 0.21 C ATOM 1841 CG1 VAL A 105 1.568 4.077 -8.872 1.00 73.52 C ATOM 1842 CG2 VAL A 105 4.066 3.989 -8.736 1.00 34.11 C ATOM 0 H VAL A 105 4.591 2.467 -6.494 1.00 20.15 H new ATOM 0 HA VAL A 105 2.207 4.204 -6.387 1.00 20.20 H new ATOM 0 HB VAL A 105 2.752 2.314 -8.661 1.00 0.21 H new ATOM 0 HG11 VAL A 105 1.653 4.105 -9.958 1.00 73.52 H new ATOM 0 HG12 VAL A 105 0.649 3.561 -8.593 1.00 73.52 H new ATOM 0 HG13 VAL A 105 1.545 5.095 -8.484 1.00 73.52 H new ATOM 0 HG21 VAL A 105 4.105 4.014 -9.825 1.00 34.11 H new ATOM 0 HG22 VAL A 105 4.117 5.006 -8.348 1.00 34.11 H new ATOM 0 HG23 VAL A 105 4.910 3.413 -8.356 1.00 34.11 H new ATOM 1852 N ARG A 106 0.504 2.318 -6.100 1.00 13.20 N ATOM 1853 CA ARG A 106 -0.396 1.226 -5.707 1.00 34.51 C ATOM 1854 C ARG A 106 -1.416 0.924 -6.801 1.00 60.22 C ATOM 1855 O ARG A 106 -2.136 1.819 -7.243 1.00 12.12 O ATOM 1856 CB ARG A 106 -1.126 1.573 -4.406 1.00 32.31 C ATOM 1857 CG ARG A 106 -0.626 0.796 -3.198 1.00 51.51 C ATOM 1858 CD ARG A 106 -1.650 0.794 -2.075 1.00 54.04 C ATOM 1859 NE ARG A 106 -1.608 2.028 -1.290 1.00 40.21 N ATOM 1860 CZ ARG A 106 -1.027 2.141 -0.090 1.00 73.12 C ATOM 1861 NH1 ARG A 106 -0.397 1.110 0.466 1.00 4.01 N ATOM 1862 NH2 ARG A 106 -1.070 3.298 0.556 1.00 12.20 N ATOM 0 H ARG A 106 0.061 3.234 -6.167 1.00 13.20 H new ATOM 0 HA ARG A 106 0.216 0.338 -5.552 1.00 34.51 H new ATOM 0 HB2 ARG A 106 -1.016 2.640 -4.212 1.00 32.31 H new ATOM 0 HB3 ARG A 106 -2.191 1.381 -4.535 1.00 32.31 H new ATOM 0 HG2 ARG A 106 -0.403 -0.230 -3.491 1.00 51.51 H new ATOM 0 HG3 ARG A 106 0.306 1.235 -2.842 1.00 51.51 H new ATOM 0 HD2 ARG A 106 -2.648 0.666 -2.495 1.00 54.04 H new ATOM 0 HD3 ARG A 106 -1.468 -0.058 -1.420 1.00 54.04 H new ATOM 0 HE ARG A 106 -2.051 2.858 -1.684 1.00 40.21 H new ATOM 0 HH11 ARG A 106 -0.351 0.216 -0.023 1.00 4.01 H new ATOM 0 HH12 ARG A 106 0.041 1.213 1.382 1.00 4.01 H new ATOM 0 HH21 ARG A 106 -1.545 4.098 0.138 1.00 12.20 H new ATOM 0 HH22 ARG A 106 -0.628 3.388 1.471 1.00 12.20 H new ATOM 1876 N GLU A 107 -1.480 -0.341 -7.235 1.00 44.54 N ATOM 1877 CA GLU A 107 -2.428 -0.738 -8.276 1.00 24.13 C ATOM 1878 C GLU A 107 -2.875 -2.188 -8.099 1.00 22.43 C ATOM 1879 O GLU A 107 -2.296 -2.934 -7.307 1.00 22.14 O ATOM 1880 CB GLU A 107 -1.793 -0.557 -9.656 1.00 31.42 C ATOM 1881 CG GLU A 107 -2.803 -0.371 -10.777 1.00 32.33 C ATOM 1882 CD GLU A 107 -2.238 0.411 -11.943 1.00 55.31 C ATOM 1883 OE1 GLU A 107 -1.329 -0.108 -12.622 1.00 42.53 O ATOM 1884 OE2 GLU A 107 -2.708 1.543 -12.178 1.00 4.10 O ATOM 0 H GLU A 107 -0.892 -1.097 -6.884 1.00 44.54 H new ATOM 0 HA GLU A 107 -3.307 -0.100 -8.191 1.00 24.13 H new ATOM 0 HB2 GLU A 107 -1.130 0.308 -9.630 1.00 31.42 H new ATOM 0 HB3 GLU A 107 -1.174 -1.427 -9.878 1.00 31.42 H new ATOM 0 HG2 GLU A 107 -3.137 -1.348 -11.127 1.00 32.33 H new ATOM 0 HG3 GLU A 107 -3.681 0.145 -10.389 1.00 32.33 H new ATOM 1891 N ILE A 108 -3.902 -2.588 -8.853 1.00 13.10 N ATOM 1892 CA ILE A 108 -4.404 -3.952 -8.790 1.00 44.22 C ATOM 1893 C ILE A 108 -4.658 -4.514 -10.188 1.00 5.23 C ATOM 1894 O ILE A 108 -5.311 -3.876 -11.018 1.00 41.25 O ATOM 1895 CB ILE A 108 -5.695 -4.077 -7.949 1.00 35.41 C ATOM 1896 CG1 ILE A 108 -5.934 -5.551 -7.629 1.00 34.13 C ATOM 1897 CG2 ILE A 108 -6.891 -3.475 -8.679 1.00 11.13 C ATOM 1898 CD1 ILE A 108 -6.663 -5.788 -6.335 1.00 52.04 C ATOM 0 H ILE A 108 -4.397 -1.985 -9.510 1.00 13.10 H new ATOM 0 HA ILE A 108 -3.624 -4.533 -8.298 1.00 44.22 H new ATOM 0 HB ILE A 108 -5.574 -3.518 -7.021 1.00 35.41 H new ATOM 0 HG12 ILE A 108 -6.504 -6.001 -8.442 1.00 34.13 H new ATOM 0 HG13 ILE A 108 -4.973 -6.064 -7.591 1.00 34.13 H new ATOM 0 HG21 ILE A 108 -7.784 -3.578 -8.062 1.00 11.13 H new ATOM 0 HG22 ILE A 108 -6.705 -2.419 -8.873 1.00 11.13 H new ATOM 0 HG23 ILE A 108 -7.041 -3.997 -9.624 1.00 11.13 H new ATOM 0 HD11 ILE A 108 -6.793 -6.859 -6.181 1.00 52.04 H new ATOM 0 HD12 ILE A 108 -6.085 -5.371 -5.510 1.00 52.04 H new ATOM 0 HD13 ILE A 108 -7.640 -5.306 -6.374 1.00 52.04 H new ATOM 1910 N ILE A 109 -4.142 -5.718 -10.431 1.00 5.03 N ATOM 1911 CA ILE A 109 -4.312 -6.397 -11.712 1.00 60.42 C ATOM 1912 C ILE A 109 -5.079 -7.697 -11.526 1.00 52.15 C ATOM 1913 O ILE A 109 -4.792 -8.455 -10.599 1.00 62.33 O ATOM 1914 CB ILE A 109 -2.961 -6.707 -12.396 1.00 4.41 C ATOM 1915 CG1 ILE A 109 -1.932 -7.237 -11.383 1.00 44.01 C ATOM 1916 CG2 ILE A 109 -2.436 -5.477 -13.127 1.00 51.21 C ATOM 1917 CD1 ILE A 109 -1.212 -6.157 -10.602 1.00 20.33 C ATOM 0 H ILE A 109 -3.598 -6.246 -9.749 1.00 5.03 H new ATOM 0 HA ILE A 109 -4.872 -5.717 -12.354 1.00 60.42 H new ATOM 0 HB ILE A 109 -3.126 -7.493 -13.133 1.00 4.41 H new ATOM 0 HG12 ILE A 109 -2.439 -7.900 -10.681 1.00 44.01 H new ATOM 0 HG13 ILE A 109 -1.194 -7.839 -11.914 1.00 44.01 H new ATOM 0 HG21 ILE A 109 -1.484 -5.715 -13.602 1.00 51.21 H new ATOM 0 HG22 ILE A 109 -3.155 -5.171 -13.887 1.00 51.21 H new ATOM 0 HG23 ILE A 109 -2.293 -4.664 -12.415 1.00 51.21 H new ATOM 0 HD11 ILE A 109 -0.505 -6.617 -9.911 1.00 20.33 H new ATOM 0 HD12 ILE A 109 -0.674 -5.507 -11.292 1.00 20.33 H new ATOM 0 HD13 ILE A 109 -1.938 -5.569 -10.040 1.00 20.33 H new ATOM 1929 N GLY A 110 -6.048 -7.959 -12.405 1.00 40.35 N ATOM 1930 CA GLY A 110 -6.829 -9.185 -12.305 1.00 2.25 C ATOM 1931 C GLY A 110 -7.342 -9.433 -10.905 1.00 53.53 C ATOM 1932 O GLY A 110 -8.291 -8.789 -10.456 1.00 42.33 O ATOM 0 H GLY A 110 -6.305 -7.348 -13.180 1.00 40.35 H new ATOM 0 HA2 GLY A 110 -7.673 -9.132 -12.993 1.00 2.25 H new ATOM 0 HA3 GLY A 110 -6.215 -10.029 -12.618 1.00 2.25 H new ATOM 1936 N ASP A 111 -6.706 -10.370 -10.223 1.00 13.12 N ATOM 1937 CA ASP A 111 -7.079 -10.728 -8.861 1.00 4.21 C ATOM 1938 C ASP A 111 -5.873 -10.678 -7.912 1.00 14.11 C ATOM 1939 O ASP A 111 -5.832 -11.397 -6.912 1.00 4.43 O ATOM 1940 CB ASP A 111 -7.714 -12.120 -8.859 1.00 3.13 C ATOM 1941 CG ASP A 111 -8.833 -12.247 -7.845 1.00 20.42 C ATOM 1942 OD1 ASP A 111 -9.983 -11.895 -8.184 1.00 22.43 O ATOM 1943 OD2 ASP A 111 -8.562 -12.695 -6.711 1.00 54.32 O ATOM 0 H ASP A 111 -5.920 -10.903 -10.594 1.00 13.12 H new ATOM 0 HA ASP A 111 -7.802 -9.999 -8.497 1.00 4.21 H new ATOM 0 HB2 ASP A 111 -8.103 -12.340 -9.853 1.00 3.13 H new ATOM 0 HB3 ASP A 111 -6.948 -12.865 -8.645 1.00 3.13 H new ATOM 1948 N GLU A 112 -4.891 -9.826 -8.228 1.00 11.22 N ATOM 1949 CA GLU A 112 -3.690 -9.687 -7.401 1.00 2.02 C ATOM 1950 C GLU A 112 -3.361 -8.217 -7.142 1.00 34.30 C ATOM 1951 O GLU A 112 -3.446 -7.385 -8.048 1.00 53.14 O ATOM 1952 CB GLU A 112 -2.495 -10.365 -8.075 1.00 62.51 C ATOM 1953 CG GLU A 112 -2.711 -11.839 -8.373 1.00 21.30 C ATOM 1954 CD GLU A 112 -1.427 -12.547 -8.765 1.00 44.23 C ATOM 1955 OE1 GLU A 112 -0.949 -12.327 -9.900 1.00 34.22 O ATOM 1956 OE2 GLU A 112 -0.896 -13.316 -7.937 1.00 53.22 O ATOM 0 H GLU A 112 -4.906 -9.223 -9.051 1.00 11.22 H new ATOM 0 HA GLU A 112 -3.891 -10.172 -6.446 1.00 2.02 H new ATOM 0 HB2 GLU A 112 -2.273 -9.845 -9.007 1.00 62.51 H new ATOM 0 HB3 GLU A 112 -1.620 -10.258 -7.434 1.00 62.51 H new ATOM 0 HG2 GLU A 112 -3.137 -12.325 -7.495 1.00 21.30 H new ATOM 0 HG3 GLU A 112 -3.439 -11.941 -9.178 1.00 21.30 H new ATOM 1963 N LEU A 113 -2.968 -7.909 -5.905 1.00 43.42 N ATOM 1964 CA LEU A 113 -2.609 -6.544 -5.524 1.00 5.40 C ATOM 1965 C LEU A 113 -1.122 -6.309 -5.712 1.00 43.01 C ATOM 1966 O LEU A 113 -0.311 -7.217 -5.516 1.00 2.14 O ATOM 1967 CB LEU A 113 -2.986 -6.282 -4.064 1.00 4.00 C ATOM 1968 CG LEU A 113 -2.617 -4.893 -3.537 1.00 4.02 C ATOM 1969 CD1 LEU A 113 -3.533 -3.834 -4.127 1.00 0.24 C ATOM 1970 CD2 LEU A 113 -2.673 -4.869 -2.019 1.00 24.50 C ATOM 0 H LEU A 113 -2.890 -8.589 -5.149 1.00 43.42 H new ATOM 0 HA LEU A 113 -3.160 -5.858 -6.167 1.00 5.40 H new ATOM 0 HB2 LEU A 113 -4.061 -6.422 -3.952 1.00 4.00 H new ATOM 0 HB3 LEU A 113 -2.500 -7.031 -3.439 1.00 4.00 H new ATOM 0 HG LEU A 113 -1.596 -4.667 -3.846 1.00 4.02 H new ATOM 0 HD11 LEU A 113 -3.254 -2.854 -3.739 1.00 0.24 H new ATOM 0 HD12 LEU A 113 -3.438 -3.835 -5.213 1.00 0.24 H new ATOM 0 HD13 LEU A 113 -4.565 -4.052 -3.853 1.00 0.24 H new ATOM 0 HD21 LEU A 113 -2.408 -3.874 -1.661 1.00 24.50 H new ATOM 0 HD22 LEU A 113 -3.682 -5.117 -1.688 1.00 24.50 H new ATOM 0 HD23 LEU A 113 -1.970 -5.599 -1.617 1.00 24.50 H new ATOM 1982 N VAL A 114 -0.764 -5.091 -6.111 1.00 1.13 N ATOM 1983 CA VAL A 114 0.623 -4.760 -6.341 1.00 14.23 C ATOM 1984 C VAL A 114 1.019 -3.390 -5.799 1.00 13.24 C ATOM 1985 O VAL A 114 0.228 -2.442 -5.792 1.00 62.34 O ATOM 1986 CB VAL A 114 0.950 -4.779 -7.832 1.00 53.42 C ATOM 1987 CG1 VAL A 114 1.138 -6.201 -8.334 1.00 5.02 C ATOM 1988 CG2 VAL A 114 -0.103 -4.045 -8.636 1.00 54.41 C ATOM 0 H VAL A 114 -1.418 -4.326 -6.279 1.00 1.13 H new ATOM 0 HA VAL A 114 1.188 -5.522 -5.804 1.00 14.23 H new ATOM 0 HB VAL A 114 1.894 -4.252 -7.971 1.00 53.42 H new ATOM 0 HG11 VAL A 114 1.370 -6.183 -9.399 1.00 5.02 H new ATOM 0 HG12 VAL A 114 1.958 -6.673 -7.792 1.00 5.02 H new ATOM 0 HG13 VAL A 114 0.222 -6.768 -8.172 1.00 5.02 H new ATOM 0 HG21 VAL A 114 0.159 -4.077 -9.694 1.00 54.41 H new ATOM 0 HG22 VAL A 114 -1.072 -4.522 -8.488 1.00 54.41 H new ATOM 0 HG23 VAL A 114 -0.155 -3.007 -8.306 1.00 54.41 H new ATOM 1998 N GLN A 115 2.280 -3.309 -5.393 1.00 11.00 N ATOM 1999 CA GLN A 115 2.880 -2.079 -4.888 1.00 51.34 C ATOM 2000 C GLN A 115 4.310 -1.961 -5.421 1.00 4.24 C ATOM 2001 O GLN A 115 5.213 -2.662 -4.955 1.00 1.45 O ATOM 2002 CB GLN A 115 2.871 -2.047 -3.357 1.00 41.14 C ATOM 2003 CG GLN A 115 2.807 -0.639 -2.785 1.00 43.52 C ATOM 2004 CD GLN A 115 1.999 -0.558 -1.503 1.00 11.10 C ATOM 2005 OE1 GLN A 115 0.910 -1.122 -1.402 1.00 2.40 O ATOM 2006 NE2 GLN A 115 2.528 0.149 -0.511 1.00 40.24 N ATOM 0 H GLN A 115 2.921 -4.102 -5.405 1.00 11.00 H new ATOM 0 HA GLN A 115 2.291 -1.230 -5.236 1.00 51.34 H new ATOM 0 HB2 GLN A 115 2.017 -2.618 -2.994 1.00 41.14 H new ATOM 0 HB3 GLN A 115 3.768 -2.542 -2.985 1.00 41.14 H new ATOM 0 HG2 GLN A 115 3.820 -0.284 -2.593 1.00 43.52 H new ATOM 0 HG3 GLN A 115 2.370 0.029 -3.527 1.00 43.52 H new ATOM 0 HE21 GLN A 115 3.434 0.602 -0.634 1.00 40.24 H new ATOM 0 HE22 GLN A 115 2.029 0.239 0.374 1.00 40.24 H new ATOM 2015 N THR A 116 4.507 -1.095 -6.415 1.00 62.11 N ATOM 2016 CA THR A 116 5.824 -0.914 -7.024 1.00 35.22 C ATOM 2017 C THR A 116 6.589 0.229 -6.368 1.00 51.32 C ATOM 2018 O THR A 116 6.061 1.330 -6.214 1.00 61.55 O ATOM 2019 CB THR A 116 5.688 -0.650 -8.528 1.00 32.14 C ATOM 2020 OG1 THR A 116 5.010 -1.719 -9.166 1.00 12.40 O ATOM 2021 CG2 THR A 116 7.020 -0.465 -9.229 1.00 14.34 C ATOM 0 H THR A 116 3.774 -0.509 -6.814 1.00 62.11 H new ATOM 0 HA THR A 116 6.386 -1.835 -6.869 1.00 35.22 H new ATOM 0 HB THR A 116 5.123 0.279 -8.607 1.00 32.14 H new ATOM 0 HG1 THR A 116 4.932 -1.531 -10.125 1.00 12.40 H new ATOM 0 HG21 THR A 116 6.850 -0.282 -10.290 1.00 14.34 H new ATOM 0 HG22 THR A 116 7.545 0.385 -8.794 1.00 14.34 H new ATOM 0 HG23 THR A 116 7.623 -1.365 -9.108 1.00 14.34 H new ATOM 2029 N TYR A 117 7.842 -0.043 -6.001 1.00 33.44 N ATOM 2030 CA TYR A 117 8.703 0.958 -5.376 1.00 20.44 C ATOM 2031 C TYR A 117 9.909 1.251 -6.262 1.00 14.33 C ATOM 2032 O TYR A 117 10.478 0.346 -6.876 1.00 51.24 O ATOM 2033 CB TYR A 117 9.196 0.489 -4.004 1.00 72.24 C ATOM 2034 CG TYR A 117 8.096 0.147 -3.023 1.00 71.41 C ATOM 2035 CD1 TYR A 117 7.327 -1.001 -3.176 1.00 32.30 C ATOM 2036 CD2 TYR A 117 7.833 0.972 -1.937 1.00 54.33 C ATOM 2037 CE1 TYR A 117 6.326 -1.313 -2.276 1.00 32.12 C ATOM 2038 CE2 TYR A 117 6.835 0.666 -1.033 1.00 31.21 C ATOM 2039 CZ TYR A 117 6.085 -0.477 -1.206 1.00 23.30 C ATOM 2040 OH TYR A 117 5.090 -0.782 -0.305 1.00 42.41 O ATOM 0 H TYR A 117 8.284 -0.954 -6.127 1.00 33.44 H new ATOM 0 HA TYR A 117 8.110 1.864 -5.248 1.00 20.44 H new ATOM 0 HB2 TYR A 117 9.829 -0.388 -4.140 1.00 72.24 H new ATOM 0 HB3 TYR A 117 9.821 1.270 -3.571 1.00 72.24 H new ATOM 0 HD1 TYR A 117 7.515 -1.659 -4.011 1.00 32.30 H new ATOM 0 HD2 TYR A 117 8.419 1.868 -1.797 1.00 54.33 H new ATOM 0 HE1 TYR A 117 5.735 -2.207 -2.410 1.00 32.12 H new ATOM 0 HE2 TYR A 117 6.643 1.319 -0.195 1.00 31.21 H new ATOM 0 HH TYR A 117 5.053 -0.090 0.388 1.00 42.41 H new ATOM 2050 N VAL A 118 10.292 2.517 -6.315 1.00 74.42 N ATOM 2051 CA VAL A 118 11.436 2.949 -7.119 1.00 62.15 C ATOM 2052 C VAL A 118 12.507 3.604 -6.243 1.00 44.02 C ATOM 2053 O VAL A 118 12.215 4.536 -5.488 1.00 20.14 O ATOM 2054 CB VAL A 118 11.013 3.934 -8.232 1.00 22.43 C ATOM 2055 CG1 VAL A 118 12.018 3.910 -9.374 1.00 53.11 C ATOM 2056 CG2 VAL A 118 9.615 3.608 -8.746 1.00 42.23 C ATOM 0 H VAL A 118 9.827 3.271 -5.809 1.00 74.42 H new ATOM 0 HA VAL A 118 11.849 2.055 -7.585 1.00 62.15 H new ATOM 0 HB VAL A 118 10.993 4.937 -7.807 1.00 22.43 H new ATOM 0 HG11 VAL A 118 11.705 4.609 -10.149 1.00 53.11 H new ATOM 0 HG12 VAL A 118 13.000 4.199 -9.000 1.00 53.11 H new ATOM 0 HG13 VAL A 118 12.070 2.905 -9.792 1.00 53.11 H new ATOM 0 HG21 VAL A 118 9.341 4.316 -9.528 1.00 42.23 H new ATOM 0 HG22 VAL A 118 9.603 2.596 -9.151 1.00 42.23 H new ATOM 0 HG23 VAL A 118 8.900 3.679 -7.926 1.00 42.23 H new ATOM 2066 N TYR A 119 13.744 3.107 -6.348 1.00 3.24 N ATOM 2067 CA TYR A 119 14.866 3.633 -5.566 1.00 63.11 C ATOM 2068 C TYR A 119 16.111 3.799 -6.439 1.00 63.42 C ATOM 2069 O TYR A 119 16.721 2.813 -6.860 1.00 21.25 O ATOM 2070 CB TYR A 119 15.175 2.701 -4.382 1.00 44.42 C ATOM 2071 CG TYR A 119 16.244 3.226 -3.438 1.00 55.04 C ATOM 2072 CD1 TYR A 119 16.022 4.364 -2.665 1.00 42.53 C ATOM 2073 CD2 TYR A 119 17.476 2.584 -3.322 1.00 12.04 C ATOM 2074 CE1 TYR A 119 16.993 4.848 -1.804 1.00 25.40 C ATOM 2075 CE2 TYR A 119 18.452 3.059 -2.470 1.00 63.42 C ATOM 2076 CZ TYR A 119 18.208 4.191 -1.711 1.00 34.43 C ATOM 2077 OH TYR A 119 19.182 4.669 -0.865 1.00 61.11 O ATOM 0 H TYR A 119 13.993 2.338 -6.970 1.00 3.24 H new ATOM 0 HA TYR A 119 14.581 4.613 -5.183 1.00 63.11 H new ATOM 0 HB2 TYR A 119 14.258 2.533 -3.817 1.00 44.42 H new ATOM 0 HB3 TYR A 119 15.492 1.733 -4.769 1.00 44.42 H new ATOM 0 HD1 TYR A 119 15.075 4.878 -2.739 1.00 42.53 H new ATOM 0 HD2 TYR A 119 17.670 1.699 -3.910 1.00 12.04 H new ATOM 0 HE1 TYR A 119 16.804 5.730 -1.210 1.00 25.40 H new ATOM 0 HE2 TYR A 119 19.402 2.550 -2.396 1.00 63.42 H new ATOM 0 HH TYR A 119 19.973 4.092 -0.917 1.00 61.11 H new ATOM 2087 N GLU A 120 16.485 5.056 -6.698 1.00 75.32 N ATOM 2088 CA GLU A 120 17.664 5.373 -7.510 1.00 60.12 C ATOM 2089 C GLU A 120 17.593 4.717 -8.892 1.00 55.22 C ATOM 2090 O GLU A 120 18.536 4.049 -9.322 1.00 34.55 O ATOM 2091 CB GLU A 120 18.938 4.938 -6.774 1.00 12.03 C ATOM 2092 CG GLU A 120 19.212 5.733 -5.505 1.00 34.31 C ATOM 2093 CD GLU A 120 19.533 7.190 -5.784 1.00 12.43 C ATOM 2094 OE1 GLU A 120 18.587 7.991 -5.934 1.00 65.54 O ATOM 2095 OE2 GLU A 120 20.732 7.531 -5.857 1.00 2.14 O ATOM 0 H GLU A 120 15.984 5.876 -6.354 1.00 75.32 H new ATOM 0 HA GLU A 120 17.687 6.452 -7.662 1.00 60.12 H new ATOM 0 HB2 GLU A 120 18.858 3.881 -6.520 1.00 12.03 H new ATOM 0 HB3 GLU A 120 19.789 5.040 -7.447 1.00 12.03 H new ATOM 0 HG2 GLU A 120 18.342 5.676 -4.851 1.00 34.31 H new ATOM 0 HG3 GLU A 120 20.045 5.278 -4.969 1.00 34.31 H new ATOM 2102 N GLY A 121 16.466 4.911 -9.584 1.00 2.31 N ATOM 2103 CA GLY A 121 16.288 4.335 -10.911 1.00 60.42 C ATOM 2104 C GLY A 121 15.761 2.906 -10.877 1.00 63.33 C ATOM 2105 O GLY A 121 15.080 2.473 -11.809 1.00 25.31 O ATOM 0 H GLY A 121 15.673 5.458 -9.248 1.00 2.31 H new ATOM 0 HA2 GLY A 121 15.598 4.957 -11.481 1.00 60.42 H new ATOM 0 HA3 GLY A 121 17.242 4.352 -11.439 1.00 60.42 H new ATOM 2109 N VAL A 122 16.081 2.174 -9.807 1.00 64.25 N ATOM 2110 CA VAL A 122 15.647 0.790 -9.654 1.00 73.12 C ATOM 2111 C VAL A 122 14.168 0.710 -9.292 1.00 72.41 C ATOM 2112 O VAL A 122 13.747 1.198 -8.241 1.00 60.51 O ATOM 2113 CB VAL A 122 16.488 0.066 -8.577 1.00 72.45 C ATOM 2114 CG1 VAL A 122 15.758 -1.148 -8.017 1.00 42.44 C ATOM 2115 CG2 VAL A 122 17.840 -0.335 -9.147 1.00 52.32 C ATOM 0 H VAL A 122 16.643 2.523 -9.031 1.00 64.25 H new ATOM 0 HA VAL A 122 15.796 0.294 -10.613 1.00 73.12 H new ATOM 0 HB VAL A 122 16.645 0.761 -7.752 1.00 72.45 H new ATOM 0 HG11 VAL A 122 16.380 -1.631 -7.263 1.00 42.44 H new ATOM 0 HG12 VAL A 122 14.819 -0.831 -7.564 1.00 42.44 H new ATOM 0 HG13 VAL A 122 15.552 -1.852 -8.823 1.00 42.44 H new ATOM 0 HG21 VAL A 122 18.422 -0.844 -8.379 1.00 52.32 H new ATOM 0 HG22 VAL A 122 17.693 -1.005 -9.994 1.00 52.32 H new ATOM 0 HG23 VAL A 122 18.374 0.556 -9.477 1.00 52.32 H new ATOM 2125 N GLU A 123 13.390 0.083 -10.169 1.00 34.40 N ATOM 2126 CA GLU A 123 11.962 -0.079 -9.955 1.00 3.04 C ATOM 2127 C GLU A 123 11.631 -1.536 -9.636 1.00 64.34 C ATOM 2128 O GLU A 123 11.607 -2.391 -10.525 1.00 64.33 O ATOM 2129 CB GLU A 123 11.188 0.393 -11.189 1.00 24.20 C ATOM 2130 CG GLU A 123 9.687 0.486 -10.970 1.00 63.23 C ATOM 2131 CD GLU A 123 8.920 -0.588 -11.717 1.00 73.42 C ATOM 2132 OE1 GLU A 123 8.936 -1.753 -11.268 1.00 12.54 O ATOM 2133 OE2 GLU A 123 8.302 -0.264 -12.750 1.00 33.14 O ATOM 0 H GLU A 123 13.731 -0.323 -11.040 1.00 34.40 H new ATOM 0 HA GLU A 123 11.664 0.532 -9.103 1.00 3.04 H new ATOM 0 HB2 GLU A 123 11.564 1.371 -11.490 1.00 24.20 H new ATOM 0 HB3 GLU A 123 11.384 -0.292 -12.014 1.00 24.20 H new ATOM 0 HG2 GLU A 123 9.474 0.405 -9.904 1.00 63.23 H new ATOM 0 HG3 GLU A 123 9.337 1.467 -11.291 1.00 63.23 H new ATOM 2140 N ALA A 124 11.379 -1.805 -8.357 1.00 44.34 N ATOM 2141 CA ALA A 124 11.044 -3.150 -7.897 1.00 12.21 C ATOM 2142 C ALA A 124 9.628 -3.184 -7.332 1.00 3.45 C ATOM 2143 O ALA A 124 9.176 -2.214 -6.721 1.00 11.22 O ATOM 2144 CB ALA A 124 12.043 -3.617 -6.849 1.00 24.12 C ATOM 0 H ALA A 124 11.401 -1.104 -7.617 1.00 44.34 H new ATOM 0 HA ALA A 124 11.093 -3.828 -8.749 1.00 12.21 H new ATOM 0 HB1 ALA A 124 11.779 -4.621 -6.517 1.00 24.12 H new ATOM 0 HB2 ALA A 124 13.044 -3.629 -7.280 1.00 24.12 H new ATOM 0 HB3 ALA A 124 12.023 -2.936 -5.998 1.00 24.12 H new ATOM 2150 N LYS A 125 8.928 -4.298 -7.535 1.00 23.22 N ATOM 2151 CA LYS A 125 7.560 -4.434 -7.037 1.00 45.24 C ATOM 2152 C LYS A 125 7.313 -5.802 -6.413 1.00 34.12 C ATOM 2153 O LYS A 125 7.869 -6.813 -6.847 1.00 3.13 O ATOM 2154 CB LYS A 125 6.527 -4.198 -8.152 1.00 74.41 C ATOM 2155 CG LYS A 125 7.111 -4.038 -9.550 1.00 13.30 C ATOM 2156 CD LYS A 125 7.592 -5.368 -10.115 1.00 4.11 C ATOM 2157 CE LYS A 125 7.025 -5.629 -11.506 1.00 12.33 C ATOM 2158 NZ LYS A 125 5.828 -6.521 -11.472 1.00 1.01 N ATOM 0 H LYS A 125 9.281 -5.113 -8.036 1.00 23.22 H new ATOM 0 HA LYS A 125 7.441 -3.671 -6.268 1.00 45.24 H new ATOM 0 HB2 LYS A 125 5.827 -5.034 -8.161 1.00 74.41 H new ATOM 0 HB3 LYS A 125 5.952 -3.304 -7.910 1.00 74.41 H new ATOM 0 HG2 LYS A 125 6.357 -3.612 -10.213 1.00 13.30 H new ATOM 0 HG3 LYS A 125 7.942 -3.334 -9.519 1.00 13.30 H new ATOM 0 HD2 LYS A 125 8.681 -5.372 -10.160 1.00 4.11 H new ATOM 0 HD3 LYS A 125 7.298 -6.176 -9.445 1.00 4.11 H new ATOM 0 HE2 LYS A 125 6.755 -4.680 -11.970 1.00 12.33 H new ATOM 0 HE3 LYS A 125 7.795 -6.082 -12.131 1.00 12.33 H new ATOM 0 HZ1 LYS A 125 5.902 -7.231 -12.229 1.00 1.01 H new ATOM 0 HZ2 LYS A 125 5.779 -7.001 -10.551 1.00 1.01 H new ATOM 0 HZ3 LYS A 125 4.968 -5.953 -11.613 1.00 1.01 H new ATOM 2172 N ARG A 126 6.441 -5.816 -5.408 1.00 62.24 N ATOM 2173 CA ARG A 126 6.056 -7.040 -4.718 1.00 12.32 C ATOM 2174 C ARG A 126 4.577 -7.306 -4.967 1.00 62.22 C ATOM 2175 O ARG A 126 3.734 -6.451 -4.684 1.00 33.43 O ATOM 2176 CB ARG A 126 6.322 -6.918 -3.215 1.00 44.04 C ATOM 2177 CG ARG A 126 6.217 -8.242 -2.474 1.00 2.12 C ATOM 2178 CD ARG A 126 7.066 -8.251 -1.214 1.00 11.30 C ATOM 2179 NE ARG A 126 7.642 -9.571 -0.955 1.00 11.52 N ATOM 2180 CZ ARG A 126 7.994 -10.012 0.255 1.00 5.52 C ATOM 2181 NH1 ARG A 126 7.847 -9.237 1.329 1.00 3.04 N ATOM 2182 NH2 ARG A 126 8.500 -11.235 0.391 1.00 62.22 N ATOM 0 H ARG A 126 5.982 -4.978 -5.050 1.00 62.24 H new ATOM 0 HA ARG A 126 6.650 -7.870 -5.102 1.00 12.32 H new ATOM 0 HB2 ARG A 126 7.318 -6.503 -3.062 1.00 44.04 H new ATOM 0 HB3 ARG A 126 5.613 -6.212 -2.784 1.00 44.04 H new ATOM 0 HG2 ARG A 126 5.176 -8.431 -2.212 1.00 2.12 H new ATOM 0 HG3 ARG A 126 6.533 -9.053 -3.131 1.00 2.12 H new ATOM 0 HD2 ARG A 126 7.867 -7.518 -1.310 1.00 11.30 H new ATOM 0 HD3 ARG A 126 6.456 -7.947 -0.363 1.00 11.30 H new ATOM 0 HE ARG A 126 7.784 -10.194 -1.750 1.00 11.52 H new ATOM 0 HH11 ARG A 126 7.462 -8.297 1.231 1.00 3.04 H new ATOM 0 HH12 ARG A 126 8.119 -9.583 2.249 1.00 3.04 H new ATOM 0 HH21 ARG A 126 8.618 -11.832 -0.428 1.00 62.22 H new ATOM 0 HH22 ARG A 126 8.770 -11.575 1.314 1.00 62.22 H new ATOM 2196 N ILE A 127 4.263 -8.485 -5.498 1.00 60.44 N ATOM 2197 CA ILE A 127 2.877 -8.844 -5.778 1.00 55.24 C ATOM 2198 C ILE A 127 2.283 -9.599 -4.604 1.00 34.20 C ATOM 2199 O ILE A 127 2.849 -10.596 -4.148 1.00 73.23 O ATOM 2200 CB ILE A 127 2.734 -9.729 -7.034 1.00 21.42 C ATOM 2201 CG1 ILE A 127 3.554 -9.182 -8.204 1.00 53.42 C ATOM 2202 CG2 ILE A 127 1.269 -9.863 -7.426 1.00 53.35 C ATOM 2203 CD1 ILE A 127 3.784 -10.208 -9.294 1.00 20.21 C ATOM 0 H ILE A 127 4.945 -9.203 -5.741 1.00 60.44 H new ATOM 0 HA ILE A 127 2.348 -7.907 -5.951 1.00 55.24 H new ATOM 0 HB ILE A 127 3.125 -10.717 -6.790 1.00 21.42 H new ATOM 0 HG12 ILE A 127 3.042 -8.318 -8.628 1.00 53.42 H new ATOM 0 HG13 ILE A 127 4.517 -8.831 -7.833 1.00 53.42 H new ATOM 0 HG21 ILE A 127 1.186 -10.490 -8.314 1.00 53.35 H new ATOM 0 HG22 ILE A 127 0.713 -10.319 -6.606 1.00 53.35 H new ATOM 0 HG23 ILE A 127 0.858 -8.876 -7.639 1.00 53.35 H new ATOM 0 HD11 ILE A 127 4.371 -9.761 -10.096 1.00 20.21 H new ATOM 0 HD12 ILE A 127 4.322 -11.062 -8.882 1.00 20.21 H new ATOM 0 HD13 ILE A 127 2.824 -10.541 -9.689 1.00 20.21 H new ATOM 2215 N PHE A 128 1.137 -9.136 -4.127 1.00 4.04 N ATOM 2216 CA PHE A 128 0.475 -9.796 -3.020 1.00 24.12 C ATOM 2217 C PHE A 128 -0.849 -10.385 -3.479 1.00 12.40 C ATOM 2218 O PHE A 128 -1.698 -9.680 -4.030 1.00 74.43 O ATOM 2219 CB PHE A 128 0.232 -8.812 -1.867 1.00 12.01 C ATOM 2220 CG PHE A 128 1.358 -7.837 -1.651 1.00 34.22 C ATOM 2221 CD1 PHE A 128 2.464 -8.190 -0.893 1.00 33.20 C ATOM 2222 CD2 PHE A 128 1.307 -6.568 -2.206 1.00 54.02 C ATOM 2223 CE1 PHE A 128 3.498 -7.295 -0.694 1.00 64.21 C ATOM 2224 CE2 PHE A 128 2.339 -5.669 -2.010 1.00 45.01 C ATOM 2225 CZ PHE A 128 3.435 -6.033 -1.253 1.00 14.11 C ATOM 0 H PHE A 128 0.653 -8.314 -4.487 1.00 4.04 H new ATOM 0 HA PHE A 128 1.122 -10.598 -2.664 1.00 24.12 H new ATOM 0 HB2 PHE A 128 -0.685 -8.256 -2.064 1.00 12.01 H new ATOM 0 HB3 PHE A 128 0.071 -9.376 -0.948 1.00 12.01 H new ATOM 0 HD1 PHE A 128 2.518 -9.175 -0.453 1.00 33.20 H new ATOM 0 HD2 PHE A 128 0.452 -6.278 -2.798 1.00 54.02 H new ATOM 0 HE1 PHE A 128 4.355 -7.582 -0.102 1.00 64.21 H new ATOM 0 HE2 PHE A 128 2.288 -4.683 -2.448 1.00 45.01 H new ATOM 0 HZ PHE A 128 4.242 -5.332 -1.098 1.00 14.11 H new ATOM 2235 N LYS A 129 -1.023 -11.674 -3.224 1.00 52.01 N ATOM 2236 CA LYS A 129 -2.254 -12.369 -3.584 1.00 61.23 C ATOM 2237 C LYS A 129 -3.041 -12.693 -2.328 1.00 52.55 C ATOM 2238 O LYS A 129 -2.462 -12.869 -1.255 1.00 32.11 O ATOM 2239 CB LYS A 129 -1.951 -13.650 -4.363 1.00 5.34 C ATOM 2240 CG LYS A 129 -3.150 -14.229 -5.103 1.00 21.43 C ATOM 2241 CD LYS A 129 -3.898 -15.266 -4.273 1.00 54.41 C ATOM 2242 CE LYS A 129 -2.964 -16.300 -3.654 1.00 61.32 C ATOM 2243 NZ LYS A 129 -2.049 -16.909 -4.661 1.00 60.31 N ATOM 0 H LYS A 129 -0.326 -12.263 -2.768 1.00 52.01 H new ATOM 0 HA LYS A 129 -2.847 -11.717 -4.225 1.00 61.23 H new ATOM 0 HB2 LYS A 129 -1.158 -13.445 -5.083 1.00 5.34 H new ATOM 0 HB3 LYS A 129 -1.568 -14.400 -3.671 1.00 5.34 H new ATOM 0 HG2 LYS A 129 -3.832 -13.422 -5.372 1.00 21.43 H new ATOM 0 HG3 LYS A 129 -2.813 -14.686 -6.034 1.00 21.43 H new ATOM 0 HD2 LYS A 129 -4.453 -14.762 -3.482 1.00 54.41 H new ATOM 0 HD3 LYS A 129 -4.630 -15.772 -4.903 1.00 54.41 H new ATOM 0 HE2 LYS A 129 -2.374 -15.829 -2.868 1.00 61.32 H new ATOM 0 HE3 LYS A 129 -3.555 -17.085 -3.182 1.00 61.32 H new ATOM 0 HZ1 LYS A 129 -2.109 -17.946 -4.602 1.00 60.31 H new ATOM 0 HZ2 LYS A 129 -2.326 -16.599 -5.614 1.00 60.31 H new ATOM 0 HZ3 LYS A 129 -1.072 -16.607 -4.470 1.00 60.31 H new ATOM 2257 N LYS A 130 -4.359 -12.765 -2.463 1.00 40.21 N ATOM 2258 CA LYS A 130 -5.224 -13.059 -1.321 1.00 43.41 C ATOM 2259 C LYS A 130 -4.708 -14.245 -0.524 1.00 13.11 C ATOM 2260 O LYS A 130 -4.149 -15.193 -1.080 1.00 23.14 O ATOM 2261 CB LYS A 130 -6.649 -13.366 -1.752 1.00 53.25 C ATOM 2262 CG LYS A 130 -7.238 -12.361 -2.728 1.00 51.34 C ATOM 2263 CD LYS A 130 -8.367 -11.573 -2.089 1.00 25.40 C ATOM 2264 CE LYS A 130 -9.229 -10.891 -3.135 1.00 34.45 C ATOM 2265 NZ LYS A 130 -10.663 -10.840 -2.732 1.00 32.53 N ATOM 0 H LYS A 130 -4.853 -12.625 -3.345 1.00 40.21 H new ATOM 0 HA LYS A 130 -5.217 -12.162 -0.702 1.00 43.41 H new ATOM 0 HB2 LYS A 130 -6.673 -14.355 -2.209 1.00 53.25 H new ATOM 0 HB3 LYS A 130 -7.283 -13.409 -0.866 1.00 53.25 H new ATOM 0 HG2 LYS A 130 -6.459 -11.677 -3.065 1.00 51.34 H new ATOM 0 HG3 LYS A 130 -7.609 -12.882 -3.611 1.00 51.34 H new ATOM 0 HD2 LYS A 130 -8.983 -12.241 -1.487 1.00 25.40 H new ATOM 0 HD3 LYS A 130 -7.953 -10.825 -1.413 1.00 25.40 H new ATOM 0 HE2 LYS A 130 -8.863 -9.878 -3.301 1.00 34.45 H new ATOM 0 HE3 LYS A 130 -9.138 -11.422 -4.082 1.00 34.45 H new ATOM 0 HZ1 LYS A 130 -11.172 -10.171 -3.344 1.00 32.53 H new ATOM 0 HZ2 LYS A 130 -11.084 -11.786 -2.827 1.00 32.53 H new ATOM 0 HZ3 LYS A 130 -10.735 -10.527 -1.743 1.00 32.53 H new ATOM 2279 N ASP A 131 -4.919 -14.187 0.778 1.00 33.44 N ATOM 2280 CA ASP A 131 -4.498 -15.254 1.670 1.00 55.01 C ATOM 2281 C ASP A 131 -5.699 -16.070 2.140 1.00 62.41 C ATOM 2282 O ASP A 131 -5.680 -17.305 1.963 1.00 62.41 O ATOM 2283 CB ASP A 131 -3.744 -14.682 2.876 1.00 0.44 C ATOM 2284 CG ASP A 131 -3.197 -15.766 3.786 1.00 25.35 C ATOM 2285 OD1 ASP A 131 -2.271 -16.489 3.361 1.00 75.41 O ATOM 2286 OD2 ASP A 131 -3.697 -15.896 4.924 1.00 15.32 O ATOM 2287 OXT ASP A 131 -6.650 -15.466 2.681 1.00 62.41 O ATOM 0 H ASP A 131 -5.382 -13.407 1.245 1.00 33.44 H new ATOM 0 HA ASP A 131 -3.827 -15.912 1.118 1.00 55.01 H new ATOM 0 HB2 ASP A 131 -2.922 -14.058 2.524 1.00 0.44 H new ATOM 0 HB3 ASP A 131 -4.413 -14.037 3.446 1.00 0.44 H new TER 2292 ASP A 131 HETATM 2293 C1 OLA A 201 1.896 2.513 2.921 1.00 20.00 C HETATM 2294 O1 OLA A 201 0.662 2.643 2.772 1.00 20.00 O HETATM 2295 O2 OLA A 201 2.665 3.475 3.130 1.00 20.00 O HETATM 2296 C2 OLA A 201 2.487 1.117 2.842 1.00 20.00 C HETATM 2297 C3 OLA A 201 2.888 0.569 4.203 1.00 20.00 C HETATM 2298 C4 OLA A 201 4.362 0.806 4.486 1.00 20.00 C HETATM 2299 C5 OLA A 201 4.820 0.059 5.729 1.00 20.00 C HETATM 2300 C6 OLA A 201 6.239 0.442 6.123 1.00 20.00 C HETATM 2301 C7 OLA A 201 7.259 -0.051 5.105 1.00 20.00 C HETATM 2302 C8 OLA A 201 8.235 -1.039 5.725 1.00 20.00 C HETATM 2303 C9 OLA A 201 9.289 -0.287 6.542 1.00 20.00 C HETATM 2304 C10 OLA A 201 10.585 -0.988 6.954 1.00 20.00 C HETATM 2305 C11 OLA A 201 10.834 -2.443 6.550 1.00 20.00 C HETATM 2306 C12 OLA A 201 11.731 -3.116 7.577 1.00 20.00 C HETATM 2307 C13 OLA A 201 13.189 -2.729 7.382 1.00 20.00 C HETATM 2308 C14 OLA A 201 14.068 -3.288 8.490 1.00 20.00 C HETATM 2309 C15 OLA A 201 15.545 -3.091 8.183 1.00 20.00 C HETATM 2310 C16 OLA A 201 16.420 -3.484 9.366 1.00 20.00 C HETATM 2311 C17 OLA A 201 16.901 -4.925 9.258 1.00 20.00 C HETATM 2312 C18 OLA A 201 15.861 -5.973 9.591 1.00 20.00 C HETATM 0 H183 OLA A 201 15.520 -5.834 10.617 1.00 20.00 H new HETATM 0 H182 OLA A 201 15.015 -5.875 8.911 1.00 20.00 H new HETATM 0 H181 OLA A 201 16.298 -6.966 9.485 1.00 20.00 H new HETATM 0 H172 OLA A 201 17.257 -5.098 8.243 1.00 20.00 H new HETATM 0 H171 OLA A 201 17.755 -5.058 9.922 1.00 20.00 H new HETATM 0 H162 OLA A 201 17.280 -2.817 9.420 1.00 20.00 H new HETATM 0 H161 OLA A 201 15.859 -3.356 10.292 1.00 20.00 H new HETATM 0 H152 OLA A 201 15.819 -3.687 7.313 1.00 20.00 H new HETATM 0 H151 OLA A 201 15.728 -2.048 7.925 1.00 20.00 H new HETATM 0 H142 OLA A 201 13.823 -2.798 9.432 1.00 20.00 H new HETATM 0 H141 OLA A 201 13.861 -4.350 8.619 1.00 20.00 H new HETATM 0 H132 OLA A 201 13.539 -3.098 6.418 1.00 20.00 H new HETATM 0 H131 OLA A 201 13.278 -1.643 7.359 1.00 20.00 H new HETATM 0 H122 OLA A 201 11.410 -2.837 8.581 1.00 20.00 H new HETATM 0 H121 OLA A 201 11.627 -4.198 7.499 1.00 20.00 H new HETATM 0 H112 OLA A 201 9.887 -2.977 6.476 1.00 20.00 H new HETATM 0 H111 OLA A 201 11.300 -2.482 5.565 1.00 20.00 H new HETATM 0 HO2 OLA A 201 2.385 4.242 2.588 1.00 20.00 H new HETATM 0 H9 OLA A 201 9.116 0.750 6.831 1.00 20.00 H new HETATM 0 H82 OLA A 201 7.699 -1.740 6.364 1.00 20.00 H new HETATM 0 H81 OLA A 201 8.718 -1.625 4.943 1.00 20.00 H new HETATM 0 H72 OLA A 201 6.742 -0.524 4.271 1.00 20.00 H new HETATM 0 H71 OLA A 201 7.809 0.798 4.699 1.00 20.00 H new HETATM 0 H62 OLA A 201 6.311 1.526 6.215 1.00 20.00 H new HETATM 0 H61 OLA A 201 6.470 0.023 7.102 1.00 20.00 H new HETATM 0 H52 OLA A 201 4.142 0.275 6.554 1.00 20.00 H new HETATM 0 H51 OLA A 201 4.769 -1.015 5.548 1.00 20.00 H new HETATM 0 H42 OLA A 201 4.954 0.485 3.629 1.00 20.00 H new HETATM 0 H41 OLA A 201 4.541 1.873 4.615 1.00 20.00 H new HETATM 0 H32 OLA A 201 2.287 1.043 4.979 1.00 20.00 H new HETATM 0 H31 OLA A 201 2.676 -0.499 4.243 1.00 20.00 H new HETATM 0 H22 OLA A 201 1.761 0.445 2.385 1.00 20.00 H new HETATM 0 H21 OLA A 201 3.361 1.134 2.190 1.00 20.00 H new HETATM 0 H10 OLA A 201 11.333 -0.450 7.537 1.00 20.00 H new