USER MOD reduce.3.24.130724 H: found=0, std=0, add=834, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 834 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 100 SER OG : rot 180:sc= 0.0121 USER MOD Set 1.2: A 101 ASN : amide:sc= 0.0501 K(o=0.062,f=-1) USER MOD Single : A 1 GLY N :NH3+ -144:sc= 0.0188 (180deg=0) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 7 ASN : amide:sc= -0.0762 K(o=-0.076,f=-1) USER MOD Single : A 10 ASN : amide:sc= -0.0565 X(o=-0.057,f=0.13) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot -55:sc= 0.0944 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 GLN : amide:sc= -0.0554 X(o=-0.055,f=-0.3) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 150:sc= -0.765 (180deg=-3.09) USER MOD Single : A 26 SER OG : rot -61:sc= 0.134 USER MOD Single : A 28 SER OG : rot 172:sc= -0.93 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 GLN : amide:sc= -0.198 K(o=-0.2,f=-2!) USER MOD Single : A 45 GLN : amide:sc= -0.132 X(o=-0.13,f=-0.4) USER MOD Single : A 48 GLN : amide:sc= -0.642 X(o=-0.64,f=-0.82) USER MOD Single : A 49 GLN : amide:sc= -0.42 X(o=-0.42,f=0) USER MOD Single : A 51 TYR OH : rot -102:sc= -0.138 USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 180:sc= 0.0658 USER MOD Single : A 59 HIS : no HD1:sc= -0.268 X(o=-0.27,f=-0.013) USER MOD Single : A 63 THR OG1 : rot -35:sc= 0.027 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 66 GLN : amide:sc= 0 X(o=0,f=-0.017) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 HIS : no HE2:sc= -7.74! C(o=-7.7!,f=-8.2!) USER MOD Single : A 74 THR OG1 : rot -109:sc= 1.09 USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 GLN : amide:sc= -0.2 K(o=-0.2,f=-0.89) USER MOD Single : A 82 GLN : amide:sc= -0.0858 X(o=-0.086,f=0) USER MOD Single : A 83 GLN : amide:sc= 0 X(o=0,f=-0.075) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 ASN : amide:sc= -1.31 X(o=-1.3,f=-1) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 95 SER OG : rot 180:sc= -1.21 USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 MET CE :methyl -142:sc= -0.114 (180deg=-1.17) USER MOD Single : A 104 ASN : amide:sc= 0.00176 X(o=0.0018,f=0) USER MOD Single : A 105 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 32.278 -31.270 26.130 1.00 0.00 N ATOM 2 CA GLY A 1 32.844 -30.192 26.989 1.00 0.00 C ATOM 3 C GLY A 1 31.851 -29.690 28.020 1.00 0.00 C ATOM 4 O GLY A 1 30.984 -30.440 28.465 1.00 0.00 O ATOM 0 H1 GLY A 1 33.020 -31.964 25.910 1.00 0.00 H new ATOM 0 H2 GLY A 1 31.500 -31.743 26.633 1.00 0.00 H new ATOM 0 H3 GLY A 1 31.917 -30.857 25.246 1.00 0.00 H new ATOM 0 HA2 GLY A 1 33.733 -30.566 27.497 1.00 0.00 H new ATOM 0 HA3 GLY A 1 33.162 -29.360 26.360 1.00 0.00 H new ATOM 10 N PRO A 2 31.954 -28.412 28.423 1.00 0.00 N ATOM 11 CA PRO A 2 31.050 -27.822 29.415 1.00 0.00 C ATOM 12 C PRO A 2 29.636 -27.641 28.873 1.00 0.00 C ATOM 13 O PRO A 2 29.329 -26.634 28.234 1.00 0.00 O ATOM 14 CB PRO A 2 31.687 -26.462 29.713 1.00 0.00 C ATOM 15 CG PRO A 2 32.466 -26.132 28.488 1.00 0.00 C ATOM 16 CD PRO A 2 32.961 -27.445 27.946 1.00 0.00 C ATOM 0 HA PRO A 2 30.939 -28.457 30.294 1.00 0.00 H new ATOM 0 HB2 PRO A 2 30.929 -25.706 29.916 1.00 0.00 H new ATOM 0 HB3 PRO A 2 32.331 -26.511 30.591 1.00 0.00 H new ATOM 0 HG2 PRO A 2 31.843 -25.618 27.756 1.00 0.00 H new ATOM 0 HG3 PRO A 2 33.298 -25.468 28.722 1.00 0.00 H new ATOM 0 HD2 PRO A 2 33.023 -27.433 26.858 1.00 0.00 H new ATOM 0 HD3 PRO A 2 33.957 -27.684 28.319 1.00 0.00 H new ATOM 24 N GLY A 3 28.780 -28.622 29.133 1.00 0.00 N ATOM 25 CA GLY A 3 27.408 -28.553 28.663 1.00 0.00 C ATOM 26 C GLY A 3 26.764 -29.922 28.547 1.00 0.00 C ATOM 27 O GLY A 3 26.271 -30.294 27.483 1.00 0.00 O ATOM 0 H GLY A 3 29.011 -29.464 29.661 1.00 0.00 H new ATOM 0 HA2 GLY A 3 26.824 -27.937 29.347 1.00 0.00 H new ATOM 0 HA3 GLY A 3 27.385 -28.061 27.691 1.00 0.00 H new ATOM 31 N SER A 4 26.769 -30.670 29.645 1.00 0.00 N ATOM 32 CA SER A 4 26.181 -32.005 29.663 1.00 0.00 C ATOM 33 C SER A 4 24.659 -31.927 29.705 1.00 0.00 C ATOM 34 O SER A 4 24.072 -31.618 30.741 1.00 0.00 O ATOM 35 CB SER A 4 26.697 -32.797 30.865 1.00 0.00 C ATOM 36 OG SER A 4 28.061 -32.508 31.120 1.00 0.00 O ATOM 0 H SER A 4 27.173 -30.375 30.534 1.00 0.00 H new ATOM 0 HA SER A 4 26.476 -32.517 28.747 1.00 0.00 H new ATOM 0 HB2 SER A 4 26.101 -32.557 31.745 1.00 0.00 H new ATOM 0 HB3 SER A 4 26.577 -33.864 30.680 1.00 0.00 H new ATOM 0 HG SER A 4 28.366 -33.026 31.894 1.00 0.00 H new ATOM 42 N LEU A 5 24.025 -32.212 28.572 1.00 0.00 N ATOM 43 CA LEU A 5 22.571 -32.174 28.480 1.00 0.00 C ATOM 44 C LEU A 5 22.050 -33.326 27.625 1.00 0.00 C ATOM 45 O LEU A 5 21.967 -33.216 26.402 1.00 0.00 O ATOM 46 CB LEU A 5 22.110 -30.837 27.896 1.00 0.00 C ATOM 47 CG LEU A 5 20.935 -30.182 28.623 1.00 0.00 C ATOM 48 CD1 LEU A 5 21.369 -29.674 29.988 1.00 0.00 C ATOM 49 CD2 LEU A 5 20.358 -29.049 27.789 1.00 0.00 C ATOM 0 H LEU A 5 24.496 -32.472 27.705 1.00 0.00 H new ATOM 0 HA LEU A 5 22.165 -32.280 29.486 1.00 0.00 H new ATOM 0 HB2 LEU A 5 22.952 -30.145 27.903 1.00 0.00 H new ATOM 0 HB3 LEU A 5 21.832 -30.990 26.853 1.00 0.00 H new ATOM 0 HG LEU A 5 20.158 -30.932 28.768 1.00 0.00 H new ATOM 0 HD11 LEU A 5 20.520 -29.211 30.491 1.00 0.00 H new ATOM 0 HD12 LEU A 5 21.735 -30.508 30.587 1.00 0.00 H new ATOM 0 HD13 LEU A 5 22.164 -28.938 29.867 1.00 0.00 H new ATOM 0 HD21 LEU A 5 19.523 -28.594 28.321 1.00 0.00 H new ATOM 0 HD22 LEU A 5 21.128 -28.298 27.613 1.00 0.00 H new ATOM 0 HD23 LEU A 5 20.009 -29.442 26.834 1.00 0.00 H new ATOM 61 N SER A 6 21.701 -34.430 28.278 1.00 0.00 N ATOM 62 CA SER A 6 21.188 -35.602 27.578 1.00 0.00 C ATOM 63 C SER A 6 20.350 -36.470 28.511 1.00 0.00 C ATOM 64 O SER A 6 20.782 -36.811 29.612 1.00 0.00 O ATOM 65 CB SER A 6 22.343 -36.422 27.001 1.00 0.00 C ATOM 66 OG SER A 6 21.962 -37.061 25.795 1.00 0.00 O ATOM 0 H SER A 6 21.764 -34.537 29.290 1.00 0.00 H new ATOM 0 HA SER A 6 20.552 -35.258 26.763 1.00 0.00 H new ATOM 0 HB2 SER A 6 23.198 -35.772 26.817 1.00 0.00 H new ATOM 0 HB3 SER A 6 22.661 -37.170 27.728 1.00 0.00 H new ATOM 0 HG SER A 6 22.718 -37.577 25.445 1.00 0.00 H new ATOM 72 N ASN A 7 19.149 -36.824 28.063 1.00 0.00 N ATOM 73 CA ASN A 7 18.252 -37.650 28.858 1.00 0.00 C ATOM 74 C ASN A 7 17.165 -38.271 27.985 1.00 0.00 C ATOM 75 O ASN A 7 17.068 -39.493 27.872 1.00 0.00 O ATOM 76 CB ASN A 7 17.613 -36.821 29.973 1.00 0.00 C ATOM 77 CG ASN A 7 17.213 -37.665 31.168 1.00 0.00 C ATOM 78 OD1 ASN A 7 16.407 -38.588 31.048 1.00 0.00 O ATOM 79 ND2 ASN A 7 17.776 -37.350 32.329 1.00 0.00 N ATOM 0 H ASN A 7 18.776 -36.551 27.154 1.00 0.00 H new ATOM 0 HA ASN A 7 18.839 -38.453 29.303 1.00 0.00 H new ATOM 0 HB2 ASN A 7 18.313 -36.050 30.295 1.00 0.00 H new ATOM 0 HB3 ASN A 7 16.733 -36.310 29.583 1.00 0.00 H new ATOM 0 HD21 ASN A 7 17.545 -37.882 33.168 1.00 0.00 H new ATOM 0 HD22 ASN A 7 18.439 -36.577 32.381 1.00 0.00 H new ATOM 86 N PHE A 8 16.352 -37.420 27.368 1.00 0.00 N ATOM 87 CA PHE A 8 15.273 -37.885 26.503 1.00 0.00 C ATOM 88 C PHE A 8 14.971 -36.861 25.413 1.00 0.00 C ATOM 89 O PHE A 8 14.846 -37.209 24.239 1.00 0.00 O ATOM 90 CB PHE A 8 14.015 -38.157 27.327 1.00 0.00 C ATOM 91 CG PHE A 8 13.574 -36.985 28.158 1.00 0.00 C ATOM 92 CD1 PHE A 8 12.704 -36.039 27.639 1.00 0.00 C ATOM 93 CD2 PHE A 8 14.030 -36.830 29.457 1.00 0.00 C ATOM 94 CE1 PHE A 8 12.298 -34.960 28.400 1.00 0.00 C ATOM 95 CE2 PHE A 8 13.627 -35.753 30.223 1.00 0.00 C ATOM 96 CZ PHE A 8 12.760 -34.817 29.694 1.00 0.00 C ATOM 0 H PHE A 8 16.419 -36.406 27.451 1.00 0.00 H new ATOM 0 HA PHE A 8 15.594 -38.811 26.027 1.00 0.00 H new ATOM 0 HB2 PHE A 8 13.205 -38.440 26.655 1.00 0.00 H new ATOM 0 HB3 PHE A 8 14.198 -39.008 27.983 1.00 0.00 H new ATOM 0 HD1 PHE A 8 12.339 -36.147 26.628 1.00 0.00 H new ATOM 0 HD2 PHE A 8 14.708 -37.559 29.876 1.00 0.00 H new ATOM 0 HE1 PHE A 8 11.620 -34.229 27.984 1.00 0.00 H new ATOM 0 HE2 PHE A 8 13.990 -35.643 31.234 1.00 0.00 H new ATOM 0 HZ PHE A 8 12.444 -33.975 30.291 1.00 0.00 H new ATOM 106 N ALA A 9 14.853 -35.599 25.810 1.00 0.00 N ATOM 107 CA ALA A 9 14.565 -34.523 24.867 1.00 0.00 C ATOM 108 C ALA A 9 15.624 -33.429 24.943 1.00 0.00 C ATOM 109 O ALA A 9 16.132 -33.116 26.020 1.00 0.00 O ATOM 110 CB ALA A 9 13.184 -33.946 25.134 1.00 0.00 C ATOM 0 H ALA A 9 14.952 -35.295 26.779 1.00 0.00 H new ATOM 0 HA ALA A 9 14.584 -34.939 23.860 1.00 0.00 H new ATOM 0 HB1 ALA A 9 12.981 -33.144 24.424 1.00 0.00 H new ATOM 0 HB2 ALA A 9 12.434 -34.729 25.021 1.00 0.00 H new ATOM 0 HB3 ALA A 9 13.145 -33.550 26.149 1.00 0.00 H new ATOM 116 N ASN A 10 15.952 -32.851 23.792 1.00 0.00 N ATOM 117 CA ASN A 10 16.950 -31.790 23.728 1.00 0.00 C ATOM 118 C ASN A 10 16.526 -30.700 22.750 1.00 0.00 C ATOM 119 O ASN A 10 17.365 -30.063 22.113 1.00 0.00 O ATOM 120 CB ASN A 10 18.308 -32.362 23.314 1.00 0.00 C ATOM 121 CG ASN A 10 18.970 -33.144 24.431 1.00 0.00 C ATOM 122 OD1 ASN A 10 19.394 -32.574 25.436 1.00 0.00 O ATOM 123 ND2 ASN A 10 19.061 -34.458 24.261 1.00 0.00 N ATOM 0 H ASN A 10 15.542 -33.099 22.892 1.00 0.00 H new ATOM 0 HA ASN A 10 17.036 -31.348 24.721 1.00 0.00 H new ATOM 0 HB2 ASN A 10 18.177 -33.011 22.448 1.00 0.00 H new ATOM 0 HB3 ASN A 10 18.964 -31.548 23.006 1.00 0.00 H new ATOM 0 HD21 ASN A 10 19.496 -35.036 24.980 1.00 0.00 H new ATOM 0 HD22 ASN A 10 18.696 -34.889 23.412 1.00 0.00 H new ATOM 130 N VAL A 11 15.219 -30.492 22.635 1.00 0.00 N ATOM 131 CA VAL A 11 14.682 -29.478 21.735 1.00 0.00 C ATOM 132 C VAL A 11 13.346 -28.947 22.240 1.00 0.00 C ATOM 133 O VAL A 11 12.413 -29.713 22.479 1.00 0.00 O ATOM 134 CB VAL A 11 14.496 -30.035 20.312 1.00 0.00 C ATOM 135 CG1 VAL A 11 14.128 -28.919 19.346 1.00 0.00 C ATOM 136 CG2 VAL A 11 15.751 -30.758 19.850 1.00 0.00 C ATOM 0 H VAL A 11 14.512 -31.012 23.154 1.00 0.00 H new ATOM 0 HA VAL A 11 15.406 -28.663 21.707 1.00 0.00 H new ATOM 0 HB VAL A 11 13.678 -30.755 20.329 1.00 0.00 H new ATOM 0 HG11 VAL A 11 14.001 -29.331 18.345 1.00 0.00 H new ATOM 0 HG12 VAL A 11 13.197 -28.452 19.667 1.00 0.00 H new ATOM 0 HG13 VAL A 11 14.922 -28.173 19.332 1.00 0.00 H new ATOM 0 HG21 VAL A 11 15.598 -31.144 18.842 1.00 0.00 H new ATOM 0 HG22 VAL A 11 16.591 -30.064 19.849 1.00 0.00 H new ATOM 0 HG23 VAL A 11 15.964 -31.585 20.527 1.00 0.00 H new ATOM 146 N GLY A 12 13.262 -27.630 22.400 1.00 0.00 N ATOM 147 CA GLY A 12 12.035 -27.018 22.875 1.00 0.00 C ATOM 148 C GLY A 12 12.141 -26.546 24.313 1.00 0.00 C ATOM 149 O GLY A 12 12.557 -27.301 25.192 1.00 0.00 O ATOM 0 H GLY A 12 14.021 -26.976 22.209 1.00 0.00 H new ATOM 0 HA2 GLY A 12 11.784 -26.172 22.236 1.00 0.00 H new ATOM 0 HA3 GLY A 12 11.218 -27.735 22.790 1.00 0.00 H new ATOM 153 N VAL A 13 11.763 -25.294 24.550 1.00 0.00 N ATOM 154 CA VAL A 13 11.817 -24.722 25.891 1.00 0.00 C ATOM 155 C VAL A 13 10.593 -23.858 26.170 1.00 0.00 C ATOM 156 O VAL A 13 9.970 -23.969 27.225 1.00 0.00 O ATOM 157 CB VAL A 13 13.086 -23.872 26.087 1.00 0.00 C ATOM 158 CG1 VAL A 13 14.321 -24.759 26.146 1.00 0.00 C ATOM 159 CG2 VAL A 13 13.213 -22.839 24.978 1.00 0.00 C ATOM 0 H VAL A 13 11.417 -24.657 23.833 1.00 0.00 H new ATOM 0 HA VAL A 13 11.835 -25.557 26.591 1.00 0.00 H new ATOM 0 HB VAL A 13 13.004 -23.343 27.036 1.00 0.00 H new ATOM 0 HG11 VAL A 13 15.207 -24.140 26.285 1.00 0.00 H new ATOM 0 HG12 VAL A 13 14.230 -25.455 26.980 1.00 0.00 H new ATOM 0 HG13 VAL A 13 14.412 -25.319 25.215 1.00 0.00 H new ATOM 0 HG21 VAL A 13 14.115 -22.248 25.133 1.00 0.00 H new ATOM 0 HG22 VAL A 13 13.272 -23.345 24.014 1.00 0.00 H new ATOM 0 HG23 VAL A 13 12.343 -22.183 24.991 1.00 0.00 H new ATOM 169 N GLY A 14 10.252 -22.998 25.216 1.00 0.00 N ATOM 170 CA GLY A 14 9.103 -22.127 25.379 1.00 0.00 C ATOM 171 C GLY A 14 8.563 -21.627 24.054 1.00 0.00 C ATOM 172 O GLY A 14 9.218 -20.845 23.365 1.00 0.00 O ATOM 0 H GLY A 14 10.751 -22.889 24.333 1.00 0.00 H new ATOM 0 HA2 GLY A 14 8.316 -22.664 25.909 1.00 0.00 H new ATOM 0 HA3 GLY A 14 9.382 -21.275 25.999 1.00 0.00 H new ATOM 176 N THR A 15 7.364 -22.076 23.698 1.00 0.00 N ATOM 177 CA THR A 15 6.734 -21.669 22.448 1.00 0.00 C ATOM 178 C THR A 15 5.364 -21.051 22.704 1.00 0.00 C ATOM 179 O THR A 15 4.802 -21.193 23.791 1.00 0.00 O ATOM 180 CB THR A 15 6.597 -22.868 21.507 1.00 0.00 C ATOM 181 OG1 THR A 15 6.464 -24.069 22.245 1.00 0.00 O ATOM 182 CG2 THR A 15 7.775 -23.032 20.570 1.00 0.00 C ATOM 0 H THR A 15 6.809 -22.723 24.258 1.00 0.00 H new ATOM 0 HA THR A 15 7.369 -20.918 21.979 1.00 0.00 H new ATOM 0 HB THR A 15 5.706 -22.669 20.911 1.00 0.00 H new ATOM 0 HG1 THR A 15 6.376 -24.825 21.627 1.00 0.00 H new ATOM 0 HG21 THR A 15 7.613 -23.900 19.931 1.00 0.00 H new ATOM 0 HG22 THR A 15 7.875 -22.140 19.952 1.00 0.00 H new ATOM 0 HG23 THR A 15 8.686 -23.174 21.152 1.00 0.00 H new ATOM 190 N SER A 16 4.828 -20.369 21.697 1.00 0.00 N ATOM 191 CA SER A 16 3.521 -19.731 21.816 1.00 0.00 C ATOM 192 C SER A 16 3.522 -18.693 22.933 1.00 0.00 C ATOM 193 O SER A 16 3.179 -18.996 24.077 1.00 0.00 O ATOM 194 CB SER A 16 2.440 -20.780 22.077 1.00 0.00 C ATOM 195 OG SER A 16 1.945 -21.318 20.863 1.00 0.00 O ATOM 0 H SER A 16 5.278 -20.244 20.790 1.00 0.00 H new ATOM 0 HA SER A 16 3.304 -19.224 20.876 1.00 0.00 H new ATOM 0 HB2 SER A 16 2.848 -21.581 22.693 1.00 0.00 H new ATOM 0 HB3 SER A 16 1.621 -20.331 22.639 1.00 0.00 H new ATOM 0 HG SER A 16 1.256 -21.987 21.059 1.00 0.00 H new ATOM 201 N SER A 17 3.911 -17.467 22.596 1.00 0.00 N ATOM 202 CA SER A 17 3.957 -16.384 23.572 1.00 0.00 C ATOM 203 C SER A 17 3.802 -15.030 22.887 1.00 0.00 C ATOM 204 O SER A 17 4.419 -14.044 23.294 1.00 0.00 O ATOM 205 CB SER A 17 5.271 -16.429 24.351 1.00 0.00 C ATOM 206 OG SER A 17 5.177 -15.685 25.554 1.00 0.00 O ATOM 0 H SER A 17 4.199 -17.199 21.655 1.00 0.00 H new ATOM 0 HA SER A 17 3.127 -16.516 24.267 1.00 0.00 H new ATOM 0 HB2 SER A 17 5.527 -17.464 24.579 1.00 0.00 H new ATOM 0 HB3 SER A 17 6.077 -16.030 23.735 1.00 0.00 H new ATOM 0 HG SER A 17 4.891 -14.770 25.351 1.00 0.00 H new ATOM 212 N GLY A 18 2.976 -14.986 21.847 1.00 0.00 N ATOM 213 CA GLY A 18 2.756 -13.748 21.124 1.00 0.00 C ATOM 214 C GLY A 18 3.070 -13.875 19.646 1.00 0.00 C ATOM 215 O GLY A 18 3.637 -12.962 19.045 1.00 0.00 O ATOM 0 H GLY A 18 2.454 -15.787 21.492 1.00 0.00 H new ATOM 0 HA2 GLY A 18 1.718 -13.439 21.246 1.00 0.00 H new ATOM 0 HA3 GLY A 18 3.375 -12.963 21.558 1.00 0.00 H new ATOM 219 N LYS A 19 2.700 -15.009 19.061 1.00 0.00 N ATOM 220 CA LYS A 19 2.945 -15.253 17.644 1.00 0.00 C ATOM 221 C LYS A 19 1.743 -15.930 16.994 1.00 0.00 C ATOM 222 O LYS A 19 1.708 -17.153 16.853 1.00 0.00 O ATOM 223 CB LYS A 19 4.193 -16.118 17.462 1.00 0.00 C ATOM 224 CG LYS A 19 4.991 -15.780 16.212 1.00 0.00 C ATOM 225 CD LYS A 19 6.000 -16.869 15.882 1.00 0.00 C ATOM 226 CE LYS A 19 7.399 -16.485 16.335 1.00 0.00 C ATOM 227 NZ LYS A 19 8.421 -17.463 15.868 1.00 0.00 N ATOM 0 H LYS A 19 2.230 -15.773 19.546 1.00 0.00 H new ATOM 0 HA LYS A 19 3.105 -14.291 17.157 1.00 0.00 H new ATOM 0 HB2 LYS A 19 4.835 -16.003 18.335 1.00 0.00 H new ATOM 0 HB3 LYS A 19 3.896 -17.166 17.421 1.00 0.00 H new ATOM 0 HG2 LYS A 19 4.311 -15.646 15.371 1.00 0.00 H new ATOM 0 HG3 LYS A 19 5.511 -14.833 16.356 1.00 0.00 H new ATOM 0 HD2 LYS A 19 5.703 -17.800 16.364 1.00 0.00 H new ATOM 0 HD3 LYS A 19 6.001 -17.052 14.808 1.00 0.00 H new ATOM 0 HE2 LYS A 19 7.645 -15.493 15.955 1.00 0.00 H new ATOM 0 HE3 LYS A 19 7.425 -16.424 17.423 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 9.362 -17.166 16.197 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 8.201 -18.404 16.251 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 8.414 -17.502 14.829 1.00 0.00 H new ATOM 241 N GLN A 20 0.759 -15.128 16.601 1.00 0.00 N ATOM 242 CA GLN A 20 -0.444 -15.651 15.966 1.00 0.00 C ATOM 243 C GLN A 20 -0.891 -14.751 14.819 1.00 0.00 C ATOM 244 O GLN A 20 -0.723 -13.533 14.869 1.00 0.00 O ATOM 245 CB GLN A 20 -1.571 -15.782 16.992 1.00 0.00 C ATOM 246 CG GLN A 20 -2.706 -16.685 16.538 1.00 0.00 C ATOM 247 CD GLN A 20 -2.526 -18.120 16.995 1.00 0.00 C ATOM 248 OE1 GLN A 20 -2.220 -18.380 18.158 1.00 0.00 O ATOM 249 NE2 GLN A 20 -2.716 -19.061 16.077 1.00 0.00 N ATOM 0 H GLN A 20 0.771 -14.114 16.711 1.00 0.00 H new ATOM 0 HA GLN A 20 -0.211 -16.636 15.562 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -1.159 -16.170 17.924 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -1.971 -14.791 17.209 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -3.649 -16.300 16.925 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -2.773 -16.659 15.450 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -2.969 -18.800 15.124 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -2.609 -20.045 16.325 1.00 0.00 H new ATOM 258 N LYS A 21 -1.461 -15.361 13.785 1.00 0.00 N ATOM 259 CA LYS A 21 -1.935 -14.617 12.622 1.00 0.00 C ATOM 260 C LYS A 21 -3.434 -14.358 12.722 1.00 0.00 C ATOM 261 O LYS A 21 -4.242 -15.276 12.584 1.00 0.00 O ATOM 262 CB LYS A 21 -1.622 -15.387 11.337 1.00 0.00 C ATOM 263 CG LYS A 21 -0.219 -15.141 10.807 1.00 0.00 C ATOM 264 CD LYS A 21 0.829 -15.852 11.648 1.00 0.00 C ATOM 265 CE LYS A 21 1.541 -14.887 12.583 1.00 0.00 C ATOM 266 NZ LYS A 21 2.526 -14.037 11.858 1.00 0.00 N ATOM 0 H LYS A 21 -1.606 -16.369 13.728 1.00 0.00 H new ATOM 0 HA LYS A 21 -1.418 -13.658 12.596 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -1.750 -16.454 11.522 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -2.345 -15.108 10.571 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -0.154 -15.486 9.775 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -0.015 -14.070 10.799 1.00 0.00 H new ATOM 0 HD2 LYS A 21 0.355 -16.642 12.231 1.00 0.00 H new ATOM 0 HD3 LYS A 21 1.558 -16.332 10.994 1.00 0.00 H new ATOM 0 HE2 LYS A 21 0.806 -14.251 13.077 1.00 0.00 H new ATOM 0 HE3 LYS A 21 2.052 -15.449 13.365 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 2.990 -13.393 12.530 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 3.242 -14.642 11.408 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 2.035 -13.481 11.129 1.00 0.00 H new ATOM 280 N ARG A 22 -3.800 -13.102 12.965 1.00 0.00 N ATOM 281 CA ARG A 22 -5.204 -12.731 13.086 1.00 0.00 C ATOM 282 C ARG A 22 -5.439 -11.297 12.620 1.00 0.00 C ATOM 283 O ARG A 22 -6.318 -10.605 13.134 1.00 0.00 O ATOM 284 CB ARG A 22 -5.672 -12.890 14.533 1.00 0.00 C ATOM 285 CG ARG A 22 -7.182 -12.982 14.679 1.00 0.00 C ATOM 286 CD ARG A 22 -7.755 -14.112 13.836 1.00 0.00 C ATOM 287 NE ARG A 22 -8.853 -14.798 14.514 1.00 0.00 N ATOM 288 CZ ARG A 22 -9.746 -15.563 13.891 1.00 0.00 C ATOM 289 NH1 ARG A 22 -9.675 -15.742 12.578 1.00 0.00 N ATOM 290 NH2 ARG A 22 -10.712 -16.152 14.583 1.00 0.00 N ATOM 0 H ARG A 22 -3.146 -12.328 13.081 1.00 0.00 H new ATOM 0 HA ARG A 22 -5.782 -13.398 12.446 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -5.219 -13.787 14.956 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -5.310 -12.044 15.118 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -7.438 -13.142 15.726 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -7.636 -12.037 14.380 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -8.109 -13.712 12.886 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -6.967 -14.829 13.606 1.00 0.00 H new ATOM 0 HE ARG A 22 -8.940 -14.684 15.524 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -8.933 -15.292 12.041 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -10.362 -16.329 12.105 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -10.770 -16.019 15.593 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -11.397 -16.738 14.106 1.00 0.00 H new ATOM 304 N TYR A 23 -4.652 -10.855 11.644 1.00 0.00 N ATOM 305 CA TYR A 23 -4.783 -9.503 11.114 1.00 0.00 C ATOM 306 C TYR A 23 -4.214 -9.416 9.691 1.00 0.00 C ATOM 307 O TYR A 23 -4.710 -10.085 8.784 1.00 0.00 O ATOM 308 CB TYR A 23 -4.100 -8.500 12.049 1.00 0.00 C ATOM 309 CG TYR A 23 -4.802 -8.333 13.378 1.00 0.00 C ATOM 310 CD1 TYR A 23 -6.021 -7.672 13.463 1.00 0.00 C ATOM 311 CD2 TYR A 23 -4.246 -8.836 14.548 1.00 0.00 C ATOM 312 CE1 TYR A 23 -6.667 -7.516 14.674 1.00 0.00 C ATOM 313 CE2 TYR A 23 -4.886 -8.684 15.763 1.00 0.00 C ATOM 314 CZ TYR A 23 -6.096 -8.025 15.822 1.00 0.00 C ATOM 315 OH TYR A 23 -6.734 -7.872 17.030 1.00 0.00 O ATOM 0 H TYR A 23 -3.919 -11.412 11.205 1.00 0.00 H new ATOM 0 HA TYR A 23 -5.842 -9.251 11.059 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -3.075 -8.823 12.228 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -4.047 -7.531 11.552 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -6.472 -7.273 12.566 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -3.299 -9.354 14.507 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -7.614 -6.998 14.722 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -4.440 -9.080 16.663 1.00 0.00 H new ATOM 0 HH TYR A 23 -6.199 -8.289 17.738 1.00 0.00 H new ATOM 325 N LYS A 24 -3.181 -8.594 9.489 1.00 0.00 N ATOM 326 CA LYS A 24 -2.572 -8.437 8.171 1.00 0.00 C ATOM 327 C LYS A 24 -3.631 -8.205 7.098 1.00 0.00 C ATOM 328 O LYS A 24 -3.432 -8.539 5.930 1.00 0.00 O ATOM 329 CB LYS A 24 -1.733 -9.666 7.823 1.00 0.00 C ATOM 330 CG LYS A 24 -0.392 -9.712 8.539 1.00 0.00 C ATOM 331 CD LYS A 24 -0.532 -10.263 9.948 1.00 0.00 C ATOM 332 CE LYS A 24 -0.443 -11.782 9.963 1.00 0.00 C ATOM 333 NZ LYS A 24 -1.789 -12.416 10.016 1.00 0.00 N ATOM 0 H LYS A 24 -2.751 -8.029 10.222 1.00 0.00 H new ATOM 0 HA LYS A 24 -1.924 -7.561 8.204 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -2.299 -10.564 8.072 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -1.561 -9.685 6.747 1.00 0.00 H new ATOM 0 HG2 LYS A 24 0.303 -10.331 7.972 1.00 0.00 H new ATOM 0 HG3 LYS A 24 0.035 -8.710 8.580 1.00 0.00 H new ATOM 0 HD2 LYS A 24 0.249 -9.845 10.583 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -1.487 -9.949 10.370 1.00 0.00 H new ATOM 0 HE2 LYS A 24 0.084 -12.124 9.072 1.00 0.00 H new ATOM 0 HE3 LYS A 24 0.144 -12.103 10.824 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -1.758 -13.338 9.535 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -2.070 -12.552 11.008 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -2.481 -11.802 9.542 1.00 0.00 H new ATOM 347 N PHE A 25 -4.757 -7.627 7.503 1.00 0.00 N ATOM 348 CA PHE A 25 -5.843 -7.345 6.577 1.00 0.00 C ATOM 349 C PHE A 25 -5.393 -6.371 5.501 1.00 0.00 C ATOM 350 O PHE A 25 -4.496 -5.560 5.729 1.00 0.00 O ATOM 351 CB PHE A 25 -7.051 -6.781 7.327 1.00 0.00 C ATOM 352 CG PHE A 25 -8.156 -7.782 7.523 1.00 0.00 C ATOM 353 CD1 PHE A 25 -9.040 -8.066 6.494 1.00 0.00 C ATOM 354 CD2 PHE A 25 -8.308 -8.436 8.733 1.00 0.00 C ATOM 355 CE1 PHE A 25 -10.056 -8.987 6.673 1.00 0.00 C ATOM 356 CE2 PHE A 25 -9.322 -9.355 8.917 1.00 0.00 C ATOM 357 CZ PHE A 25 -10.198 -9.632 7.886 1.00 0.00 C ATOM 0 H PHE A 25 -4.939 -7.346 8.466 1.00 0.00 H new ATOM 0 HA PHE A 25 -6.133 -8.280 6.097 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -6.726 -6.415 8.301 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -7.441 -5.924 6.779 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -8.934 -7.564 5.544 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -7.625 -8.225 9.543 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -10.739 -9.202 5.864 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -9.430 -9.857 9.867 1.00 0.00 H new ATOM 0 HZ PHE A 25 -10.992 -10.351 8.028 1.00 0.00 H new ATOM 367 N SER A 26 -6.030 -6.442 4.335 1.00 0.00 N ATOM 368 CA SER A 26 -5.705 -5.547 3.232 1.00 0.00 C ATOM 369 C SER A 26 -6.199 -4.145 3.560 1.00 0.00 C ATOM 370 O SER A 26 -6.964 -3.543 2.806 1.00 0.00 O ATOM 371 CB SER A 26 -6.341 -6.044 1.931 1.00 0.00 C ATOM 372 OG SER A 26 -5.905 -5.276 0.823 1.00 0.00 O ATOM 0 H SER A 26 -6.773 -7.110 4.131 1.00 0.00 H new ATOM 0 HA SER A 26 -4.624 -5.527 3.094 1.00 0.00 H new ATOM 0 HB2 SER A 26 -6.084 -7.092 1.774 1.00 0.00 H new ATOM 0 HB3 SER A 26 -7.427 -5.990 2.010 1.00 0.00 H new ATOM 0 HG SER A 26 -6.171 -4.341 0.948 1.00 0.00 H new ATOM 378 N ALA A 27 -5.762 -3.650 4.713 1.00 0.00 N ATOM 379 CA ALA A 27 -6.145 -2.340 5.204 1.00 0.00 C ATOM 380 C ALA A 27 -5.763 -2.208 6.675 1.00 0.00 C ATOM 381 O ALA A 27 -5.527 -1.104 7.164 1.00 0.00 O ATOM 382 CB ALA A 27 -7.638 -2.117 5.025 1.00 0.00 C ATOM 0 H ALA A 27 -5.128 -4.153 5.334 1.00 0.00 H new ATOM 0 HA ALA A 27 -5.615 -1.581 4.628 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -7.906 -1.129 5.399 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -7.892 -2.185 3.967 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -8.188 -2.877 5.580 1.00 0.00 H new ATOM 388 N SER A 28 -5.699 -3.345 7.381 1.00 0.00 N ATOM 389 CA SER A 28 -5.339 -3.336 8.795 1.00 0.00 C ATOM 390 C SER A 28 -4.039 -2.569 9.022 1.00 0.00 C ATOM 391 O SER A 28 -3.828 -1.985 10.085 1.00 0.00 O ATOM 392 CB SER A 28 -5.193 -4.769 9.315 1.00 0.00 C ATOM 393 OG SER A 28 -6.333 -5.159 10.059 1.00 0.00 O ATOM 0 H SER A 28 -5.890 -4.270 6.997 1.00 0.00 H new ATOM 0 HA SER A 28 -6.137 -2.835 9.343 1.00 0.00 H new ATOM 0 HB2 SER A 28 -5.051 -5.451 8.477 1.00 0.00 H new ATOM 0 HB3 SER A 28 -4.303 -4.844 9.941 1.00 0.00 H new ATOM 0 HG SER A 28 -6.275 -6.114 10.270 1.00 0.00 H new ATOM 399 N GLU A 29 -3.173 -2.573 8.013 1.00 0.00 N ATOM 400 CA GLU A 29 -1.893 -1.874 8.101 1.00 0.00 C ATOM 401 C GLU A 29 -2.097 -0.394 8.419 1.00 0.00 C ATOM 402 O GLU A 29 -1.460 0.151 9.324 1.00 0.00 O ATOM 403 CB GLU A 29 -1.116 -2.024 6.792 1.00 0.00 C ATOM 404 CG GLU A 29 -1.921 -1.652 5.558 1.00 0.00 C ATOM 405 CD GLU A 29 -1.638 -0.241 5.080 1.00 0.00 C ATOM 406 OE1 GLU A 29 -1.133 0.569 5.886 1.00 0.00 O ATOM 407 OE2 GLU A 29 -1.921 0.053 3.899 1.00 0.00 O ATOM 0 H GLU A 29 -3.333 -3.051 7.126 1.00 0.00 H new ATOM 0 HA GLU A 29 -1.319 -2.323 8.911 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -0.224 -1.399 6.835 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -0.778 -3.056 6.697 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -1.696 -2.355 4.756 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -2.984 -1.750 5.779 1.00 0.00 H new ATOM 414 N ASP A 30 -2.990 0.250 7.674 1.00 0.00 N ATOM 415 CA ASP A 30 -3.278 1.666 7.878 1.00 0.00 C ATOM 416 C ASP A 30 -3.714 1.928 9.315 1.00 0.00 C ATOM 417 O ASP A 30 -3.452 2.995 9.870 1.00 0.00 O ATOM 418 CB ASP A 30 -4.365 2.131 6.909 1.00 0.00 C ATOM 419 CG ASP A 30 -4.613 3.624 6.992 1.00 0.00 C ATOM 420 OD1 ASP A 30 -3.688 4.399 6.671 1.00 0.00 O ATOM 421 OD2 ASP A 30 -5.733 4.019 7.380 1.00 0.00 O ATOM 0 H ASP A 30 -3.527 -0.186 6.924 1.00 0.00 H new ATOM 0 HA ASP A 30 -2.365 2.230 7.685 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -4.076 1.869 5.891 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -5.292 1.599 7.124 1.00 0.00 H new ATOM 426 N GLU A 31 -4.376 0.945 9.915 1.00 0.00 N ATOM 427 CA GLU A 31 -4.843 1.067 11.290 1.00 0.00 C ATOM 428 C GLU A 31 -3.669 1.046 12.262 1.00 0.00 C ATOM 429 O GLU A 31 -3.726 1.648 13.335 1.00 0.00 O ATOM 430 CB GLU A 31 -5.820 -0.064 11.624 1.00 0.00 C ATOM 431 CG GLU A 31 -7.269 0.275 11.318 1.00 0.00 C ATOM 432 CD GLU A 31 -8.134 -0.959 11.151 1.00 0.00 C ATOM 433 OE1 GLU A 31 -7.992 -1.897 11.964 1.00 0.00 O ATOM 434 OE2 GLU A 31 -8.950 -0.988 10.206 1.00 0.00 O ATOM 0 H GLU A 31 -4.601 0.055 9.470 1.00 0.00 H new ATOM 0 HA GLU A 31 -5.360 2.021 11.390 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -5.537 -0.955 11.063 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -5.729 -0.311 12.682 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -7.672 0.890 12.122 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -7.314 0.872 10.407 1.00 0.00 H new ATOM 441 N ALA A 32 -2.603 0.353 11.879 1.00 0.00 N ATOM 442 CA ALA A 32 -1.418 0.260 12.718 1.00 0.00 C ATOM 443 C ALA A 32 -0.620 1.556 12.679 1.00 0.00 C ATOM 444 O ALA A 32 -0.042 1.970 13.685 1.00 0.00 O ATOM 445 CB ALA A 32 -0.553 -0.913 12.285 1.00 0.00 C ATOM 0 H ALA A 32 -2.536 -0.151 10.995 1.00 0.00 H new ATOM 0 HA ALA A 32 -1.741 0.094 13.746 1.00 0.00 H new ATOM 0 HB1 ALA A 32 0.330 -0.969 12.922 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -1.123 -1.838 12.373 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -0.244 -0.774 11.249 1.00 0.00 H new ATOM 451 N ILE A 33 -0.596 2.198 11.518 1.00 0.00 N ATOM 452 CA ILE A 33 0.131 3.453 11.369 1.00 0.00 C ATOM 453 C ILE A 33 -0.618 4.592 12.040 1.00 0.00 C ATOM 454 O ILE A 33 -0.017 5.444 12.693 1.00 0.00 O ATOM 455 CB ILE A 33 0.376 3.826 9.894 1.00 0.00 C ATOM 456 CG1 ILE A 33 0.721 2.587 9.074 1.00 0.00 C ATOM 457 CG2 ILE A 33 1.488 4.859 9.796 1.00 0.00 C ATOM 458 CD1 ILE A 33 0.809 2.851 7.587 1.00 0.00 C ATOM 0 H ILE A 33 -1.067 1.875 10.673 1.00 0.00 H new ATOM 0 HA ILE A 33 1.098 3.301 11.849 1.00 0.00 H new ATOM 0 HB ILE A 33 -0.539 4.256 9.487 1.00 0.00 H new ATOM 0 HG12 ILE A 33 1.673 2.186 9.420 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -0.033 1.820 9.255 1.00 0.00 H new ATOM 0 HG21 ILE A 33 1.654 5.117 8.750 1.00 0.00 H new ATOM 0 HG22 ILE A 33 1.203 5.754 10.349 1.00 0.00 H new ATOM 0 HG23 ILE A 33 2.405 4.448 10.218 1.00 0.00 H new ATOM 0 HD11 ILE A 33 1.058 1.926 7.067 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -0.150 3.223 7.226 1.00 0.00 H new ATOM 0 HD13 ILE A 33 1.583 3.594 7.395 1.00 0.00 H new ATOM 470 N ILE A 34 -1.937 4.598 11.882 1.00 0.00 N ATOM 471 CA ILE A 34 -2.753 5.637 12.485 1.00 0.00 C ATOM 472 C ILE A 34 -2.724 5.516 14.003 1.00 0.00 C ATOM 473 O ILE A 34 -2.726 6.520 14.717 1.00 0.00 O ATOM 474 CB ILE A 34 -4.214 5.591 11.994 1.00 0.00 C ATOM 475 CG1 ILE A 34 -4.836 4.228 12.290 1.00 0.00 C ATOM 476 CG2 ILE A 34 -4.283 5.900 10.505 1.00 0.00 C ATOM 477 CD1 ILE A 34 -5.505 4.149 13.644 1.00 0.00 C ATOM 0 H ILE A 34 -2.456 3.902 11.347 1.00 0.00 H new ATOM 0 HA ILE A 34 -2.328 6.593 12.180 1.00 0.00 H new ATOM 0 HB ILE A 34 -4.783 6.350 12.530 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -5.570 3.997 11.518 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -4.061 3.464 12.232 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -5.321 5.864 10.174 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -3.878 6.895 10.321 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -3.700 5.163 9.953 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -5.924 3.153 13.785 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -4.771 4.348 14.425 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -6.303 4.889 13.699 1.00 0.00 H new ATOM 489 N LYS A 35 -2.676 4.278 14.490 1.00 0.00 N ATOM 490 CA LYS A 35 -2.624 4.032 15.924 1.00 0.00 C ATOM 491 C LYS A 35 -1.265 4.449 16.474 1.00 0.00 C ATOM 492 O LYS A 35 -1.158 4.942 17.595 1.00 0.00 O ATOM 493 CB LYS A 35 -2.883 2.554 16.224 1.00 0.00 C ATOM 494 CG LYS A 35 -4.283 2.275 16.745 1.00 0.00 C ATOM 495 CD LYS A 35 -4.297 1.088 17.696 1.00 0.00 C ATOM 496 CE LYS A 35 -5.647 0.939 18.379 1.00 0.00 C ATOM 497 NZ LYS A 35 -6.558 0.039 17.619 1.00 0.00 N ATOM 0 H LYS A 35 -2.672 3.436 13.914 1.00 0.00 H new ATOM 0 HA LYS A 35 -3.401 4.624 16.408 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -2.720 1.974 15.316 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -2.155 2.208 16.958 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -4.664 3.158 17.258 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -4.952 2.079 15.907 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -4.064 0.176 17.146 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -3.519 1.214 18.449 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -5.503 0.545 19.385 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -6.111 1.920 18.484 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -7.467 -0.036 18.118 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -6.716 0.428 16.668 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -6.128 -0.904 17.540 1.00 0.00 H new ATOM 511 N GLY A 36 -0.229 4.249 15.664 1.00 0.00 N ATOM 512 CA GLY A 36 1.114 4.612 16.071 1.00 0.00 C ATOM 513 C GLY A 36 1.338 6.111 16.057 1.00 0.00 C ATOM 514 O GLY A 36 2.130 6.636 16.840 1.00 0.00 O ATOM 0 H GLY A 36 -0.298 3.841 14.732 1.00 0.00 H new ATOM 0 HA2 GLY A 36 1.303 4.229 17.074 1.00 0.00 H new ATOM 0 HA3 GLY A 36 1.834 4.134 15.406 1.00 0.00 H new ATOM 518 N LEU A 37 0.638 6.800 15.163 1.00 0.00 N ATOM 519 CA LEU A 37 0.761 8.249 15.045 1.00 0.00 C ATOM 520 C LEU A 37 -0.015 8.956 16.151 1.00 0.00 C ATOM 521 O LEU A 37 0.369 10.037 16.599 1.00 0.00 O ATOM 522 CB LEU A 37 0.254 8.714 13.677 1.00 0.00 C ATOM 523 CG LEU A 37 1.317 8.784 12.579 1.00 0.00 C ATOM 524 CD1 LEU A 37 0.695 8.512 11.218 1.00 0.00 C ATOM 525 CD2 LEU A 37 2.004 10.142 12.589 1.00 0.00 C ATOM 0 H LEU A 37 -0.021 6.379 14.509 1.00 0.00 H new ATOM 0 HA LEU A 37 1.815 8.507 15.144 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -0.538 8.039 13.352 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -0.195 9.701 13.790 1.00 0.00 H new ATOM 0 HG LEU A 37 2.066 8.017 12.775 1.00 0.00 H new ATOM 0 HD11 LEU A 37 1.465 8.566 10.449 1.00 0.00 H new ATOM 0 HD12 LEU A 37 0.247 7.518 11.215 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -0.074 9.257 11.014 1.00 0.00 H new ATOM 0 HD21 LEU A 37 2.757 10.175 11.802 1.00 0.00 H new ATOM 0 HD22 LEU A 37 1.265 10.925 12.417 1.00 0.00 H new ATOM 0 HD23 LEU A 37 2.482 10.301 13.555 1.00 0.00 H new ATOM 537 N ALA A 38 -1.114 8.347 16.582 1.00 0.00 N ATOM 538 CA ALA A 38 -1.949 8.926 17.628 1.00 0.00 C ATOM 539 C ALA A 38 -1.473 8.531 19.025 1.00 0.00 C ATOM 540 O ALA A 38 -1.940 9.084 20.021 1.00 0.00 O ATOM 541 CB ALA A 38 -3.399 8.508 17.430 1.00 0.00 C ATOM 0 H ALA A 38 -1.448 7.452 16.223 1.00 0.00 H new ATOM 0 HA ALA A 38 -1.869 10.010 17.550 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -4.014 8.945 18.216 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -3.749 8.857 16.459 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -3.474 7.421 17.473 1.00 0.00 H new ATOM 547 N ARG A 39 -0.553 7.573 19.101 1.00 0.00 N ATOM 548 CA ARG A 39 -0.040 7.120 20.390 1.00 0.00 C ATOM 549 C ARG A 39 1.316 7.742 20.702 1.00 0.00 C ATOM 550 O ARG A 39 1.543 8.231 21.810 1.00 0.00 O ATOM 551 CB ARG A 39 0.068 5.594 20.415 1.00 0.00 C ATOM 552 CG ARG A 39 -0.168 4.991 21.790 1.00 0.00 C ATOM 553 CD ARG A 39 -1.602 4.515 21.951 1.00 0.00 C ATOM 554 NE ARG A 39 -1.999 4.435 23.357 1.00 0.00 N ATOM 555 CZ ARG A 39 -1.653 3.437 24.167 1.00 0.00 C ATOM 556 NH1 ARG A 39 -0.905 2.438 23.719 1.00 0.00 N ATOM 557 NH2 ARG A 39 -2.059 3.439 25.430 1.00 0.00 N ATOM 0 H ARG A 39 -0.150 7.099 18.292 1.00 0.00 H new ATOM 0 HA ARG A 39 -0.745 7.443 21.156 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -0.655 5.175 19.715 1.00 0.00 H new ATOM 0 HB3 ARG A 39 1.058 5.302 20.064 1.00 0.00 H new ATOM 0 HG2 ARG A 39 0.514 4.154 21.943 1.00 0.00 H new ATOM 0 HG3 ARG A 39 0.059 5.732 22.557 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -2.271 5.195 21.424 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -1.713 3.535 21.487 1.00 0.00 H new ATOM 0 HE ARG A 39 -2.574 5.187 23.738 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -0.591 2.431 22.748 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -0.643 1.676 24.345 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -2.636 4.205 25.779 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -1.795 2.675 26.052 1.00 0.00 H new ATOM 571 N PHE A 40 2.213 7.715 19.729 1.00 0.00 N ATOM 572 CA PHE A 40 3.548 8.274 19.908 1.00 0.00 C ATOM 573 C PHE A 40 4.033 8.963 18.638 1.00 0.00 C ATOM 574 O PHE A 40 3.795 8.483 17.530 1.00 0.00 O ATOM 575 CB PHE A 40 4.534 7.174 20.311 1.00 0.00 C ATOM 576 CG PHE A 40 4.613 6.048 19.320 1.00 0.00 C ATOM 577 CD1 PHE A 40 3.771 4.953 19.427 1.00 0.00 C ATOM 578 CD2 PHE A 40 5.529 6.085 18.281 1.00 0.00 C ATOM 579 CE1 PHE A 40 3.839 3.916 18.518 1.00 0.00 C ATOM 580 CE2 PHE A 40 5.604 5.050 17.369 1.00 0.00 C ATOM 581 CZ PHE A 40 4.758 3.964 17.486 1.00 0.00 C ATOM 0 H PHE A 40 2.043 7.313 18.807 1.00 0.00 H new ATOM 0 HA PHE A 40 3.494 9.019 20.702 1.00 0.00 H new ATOM 0 HB2 PHE A 40 5.525 7.612 20.432 1.00 0.00 H new ATOM 0 HB3 PHE A 40 4.242 6.773 21.282 1.00 0.00 H new ATOM 0 HD1 PHE A 40 3.052 4.910 20.232 1.00 0.00 H new ATOM 0 HD2 PHE A 40 6.192 6.932 18.183 1.00 0.00 H new ATOM 0 HE1 PHE A 40 3.176 3.069 18.613 1.00 0.00 H new ATOM 0 HE2 PHE A 40 6.324 5.090 16.565 1.00 0.00 H new ATOM 0 HZ PHE A 40 4.814 3.155 16.773 1.00 0.00 H new ATOM 591 N THR A 41 4.718 10.090 18.810 1.00 0.00 N ATOM 592 CA THR A 41 5.239 10.845 17.678 1.00 0.00 C ATOM 593 C THR A 41 6.406 11.730 18.107 1.00 0.00 C ATOM 594 O THR A 41 6.619 12.807 17.550 1.00 0.00 O ATOM 595 CB THR A 41 4.136 11.700 17.055 1.00 0.00 C ATOM 596 OG1 THR A 41 3.592 12.592 18.011 1.00 0.00 O ATOM 597 CG2 THR A 41 2.997 10.880 16.489 1.00 0.00 C ATOM 0 H THR A 41 4.924 10.499 19.721 1.00 0.00 H new ATOM 0 HA THR A 41 5.599 10.134 16.934 1.00 0.00 H new ATOM 0 HB THR A 41 4.614 12.243 16.239 1.00 0.00 H new ATOM 0 HG1 THR A 41 2.889 13.131 17.592 1.00 0.00 H new ATOM 0 HG21 THR A 41 2.247 11.545 16.062 1.00 0.00 H new ATOM 0 HG22 THR A 41 3.377 10.216 15.713 1.00 0.00 H new ATOM 0 HG23 THR A 41 2.545 10.287 17.284 1.00 0.00 H new ATOM 605 N LYS A 42 7.160 11.267 19.100 1.00 0.00 N ATOM 606 CA LYS A 42 8.306 12.017 19.601 1.00 0.00 C ATOM 607 C LYS A 42 9.612 11.348 19.182 1.00 0.00 C ATOM 608 O LYS A 42 10.297 10.729 19.997 1.00 0.00 O ATOM 609 CB LYS A 42 8.240 12.129 21.126 1.00 0.00 C ATOM 610 CG LYS A 42 7.600 13.421 21.612 1.00 0.00 C ATOM 611 CD LYS A 42 6.561 13.161 22.691 1.00 0.00 C ATOM 612 CE LYS A 42 5.252 12.670 22.097 1.00 0.00 C ATOM 613 NZ LYS A 42 4.484 11.833 23.060 1.00 0.00 N ATOM 0 H LYS A 42 6.998 10.378 19.572 1.00 0.00 H new ATOM 0 HA LYS A 42 8.275 13.018 19.170 1.00 0.00 H new ATOM 0 HB2 LYS A 42 7.677 11.283 21.521 1.00 0.00 H new ATOM 0 HB3 LYS A 42 9.249 12.058 21.532 1.00 0.00 H new ATOM 0 HG2 LYS A 42 8.371 14.085 22.002 1.00 0.00 H new ATOM 0 HG3 LYS A 42 7.132 13.934 20.772 1.00 0.00 H new ATOM 0 HD2 LYS A 42 6.943 12.421 23.394 1.00 0.00 H new ATOM 0 HD3 LYS A 42 6.385 14.076 23.256 1.00 0.00 H new ATOM 0 HE2 LYS A 42 4.647 13.525 21.796 1.00 0.00 H new ATOM 0 HE3 LYS A 42 5.457 12.092 21.196 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 3.598 11.518 22.616 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 5.051 11.003 23.328 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 4.266 12.392 23.909 1.00 0.00 H new ATOM 627 N GLY A 43 9.950 11.477 17.902 1.00 0.00 N ATOM 628 CA GLY A 43 11.168 10.879 17.391 1.00 0.00 C ATOM 629 C GLY A 43 11.460 11.292 15.968 1.00 0.00 C ATOM 630 O GLY A 43 10.603 11.857 15.291 1.00 0.00 O ATOM 0 H GLY A 43 9.400 11.986 17.210 1.00 0.00 H new ATOM 0 HA2 GLY A 43 12.005 11.165 18.028 1.00 0.00 H new ATOM 0 HA3 GLY A 43 11.085 9.793 17.442 1.00 0.00 H new ATOM 634 N GLN A 44 12.669 10.994 15.507 1.00 0.00 N ATOM 635 CA GLN A 44 13.063 11.321 14.147 1.00 0.00 C ATOM 636 C GLN A 44 12.170 10.575 13.166 1.00 0.00 C ATOM 637 O GLN A 44 12.519 9.492 12.700 1.00 0.00 O ATOM 638 CB GLN A 44 14.529 10.954 13.910 1.00 0.00 C ATOM 639 CG GLN A 44 15.500 11.735 14.780 1.00 0.00 C ATOM 640 CD GLN A 44 16.710 12.225 14.009 1.00 0.00 C ATOM 641 OE1 GLN A 44 16.956 11.801 12.880 1.00 0.00 O ATOM 642 NE2 GLN A 44 17.477 13.123 14.619 1.00 0.00 N ATOM 0 H GLN A 44 13.391 10.527 16.056 1.00 0.00 H new ATOM 0 HA GLN A 44 12.950 12.394 13.994 1.00 0.00 H new ATOM 0 HB2 GLN A 44 14.663 9.889 14.097 1.00 0.00 H new ATOM 0 HB3 GLN A 44 14.773 11.127 12.862 1.00 0.00 H new ATOM 0 HG2 GLN A 44 14.983 12.589 15.219 1.00 0.00 H new ATOM 0 HG3 GLN A 44 15.831 11.104 15.605 1.00 0.00 H new ATOM 0 HE21 GLN A 44 17.236 13.447 15.556 1.00 0.00 H new ATOM 0 HE22 GLN A 44 18.306 13.488 14.151 1.00 0.00 H new ATOM 651 N GLN A 45 11.007 11.159 12.885 1.00 0.00 N ATOM 652 CA GLN A 45 10.027 10.563 11.978 1.00 0.00 C ATOM 653 C GLN A 45 9.218 9.482 12.689 1.00 0.00 C ATOM 654 O GLN A 45 9.677 8.350 12.840 1.00 0.00 O ATOM 655 CB GLN A 45 10.706 9.972 10.742 1.00 0.00 C ATOM 656 CG GLN A 45 11.242 11.022 9.782 1.00 0.00 C ATOM 657 CD GLN A 45 12.583 10.638 9.186 1.00 0.00 C ATOM 658 OE1 GLN A 45 13.460 10.124 9.880 1.00 0.00 O ATOM 659 NE2 GLN A 45 12.749 10.890 7.893 1.00 0.00 N ATOM 0 H GLN A 45 10.718 12.055 13.277 1.00 0.00 H new ATOM 0 HA GLN A 45 9.352 11.357 11.657 1.00 0.00 H new ATOM 0 HB2 GLN A 45 11.527 9.330 11.061 1.00 0.00 H new ATOM 0 HB3 GLN A 45 9.993 9.339 10.214 1.00 0.00 H new ATOM 0 HG2 GLN A 45 10.522 11.175 8.978 1.00 0.00 H new ATOM 0 HG3 GLN A 45 11.341 11.972 10.307 1.00 0.00 H new ATOM 0 HE21 GLN A 45 11.995 11.317 7.356 1.00 0.00 H new ATOM 0 HE22 GLN A 45 13.631 10.656 7.437 1.00 0.00 H new ATOM 668 N ARG A 46 8.016 9.841 13.125 1.00 0.00 N ATOM 669 CA ARG A 46 7.144 8.903 13.823 1.00 0.00 C ATOM 670 C ARG A 46 6.552 7.883 12.857 1.00 0.00 C ATOM 671 O ARG A 46 6.256 6.750 13.240 1.00 0.00 O ATOM 672 CB ARG A 46 6.022 9.659 14.537 1.00 0.00 C ATOM 673 CG ARG A 46 5.096 10.413 13.596 1.00 0.00 C ATOM 674 CD ARG A 46 5.534 11.860 13.423 1.00 0.00 C ATOM 675 NE ARG A 46 4.510 12.801 13.872 1.00 0.00 N ATOM 676 CZ ARG A 46 4.522 14.100 13.587 1.00 0.00 C ATOM 677 NH1 ARG A 46 5.500 14.617 12.853 1.00 0.00 N ATOM 678 NH2 ARG A 46 3.553 14.887 14.036 1.00 0.00 N ATOM 0 H ARG A 46 7.623 10.775 13.008 1.00 0.00 H new ATOM 0 HA ARG A 46 7.743 8.368 14.560 1.00 0.00 H new ATOM 0 HB2 ARG A 46 5.434 8.951 15.121 1.00 0.00 H new ATOM 0 HB3 ARG A 46 6.463 10.365 15.241 1.00 0.00 H new ATOM 0 HG2 ARG A 46 5.081 9.918 12.625 1.00 0.00 H new ATOM 0 HG3 ARG A 46 4.078 10.384 13.985 1.00 0.00 H new ATOM 0 HD2 ARG A 46 6.453 12.030 13.984 1.00 0.00 H new ATOM 0 HD3 ARG A 46 5.762 12.046 12.374 1.00 0.00 H new ATOM 0 HE ARG A 46 3.741 12.440 14.437 1.00 0.00 H new ATOM 0 HH11 ARG A 46 6.248 14.017 12.504 1.00 0.00 H new ATOM 0 HH12 ARG A 46 5.504 15.614 12.638 1.00 0.00 H new ATOM 0 HH21 ARG A 46 2.798 14.496 14.600 1.00 0.00 H new ATOM 0 HH22 ARG A 46 3.563 15.883 13.817 1.00 0.00 H new ATOM 692 N PHE A 47 6.379 8.287 11.604 1.00 0.00 N ATOM 693 CA PHE A 47 5.818 7.405 10.587 1.00 0.00 C ATOM 694 C PHE A 47 6.678 6.157 10.407 1.00 0.00 C ATOM 695 O PHE A 47 6.173 5.034 10.425 1.00 0.00 O ATOM 696 CB PHE A 47 5.690 8.147 9.256 1.00 0.00 C ATOM 697 CG PHE A 47 4.902 9.423 9.355 1.00 0.00 C ATOM 698 CD1 PHE A 47 3.524 9.393 9.487 1.00 0.00 C ATOM 699 CD2 PHE A 47 5.542 10.652 9.317 1.00 0.00 C ATOM 700 CE1 PHE A 47 2.797 10.564 9.579 1.00 0.00 C ATOM 701 CE2 PHE A 47 4.819 11.827 9.408 1.00 0.00 C ATOM 702 CZ PHE A 47 3.446 11.784 9.539 1.00 0.00 C ATOM 0 H PHE A 47 6.619 9.220 11.268 1.00 0.00 H new ATOM 0 HA PHE A 47 4.828 7.093 10.920 1.00 0.00 H new ATOM 0 HB2 PHE A 47 6.687 8.373 8.878 1.00 0.00 H new ATOM 0 HB3 PHE A 47 5.214 7.491 8.527 1.00 0.00 H new ATOM 0 HD1 PHE A 47 3.012 8.443 9.518 1.00 0.00 H new ATOM 0 HD2 PHE A 47 6.616 10.692 9.215 1.00 0.00 H new ATOM 0 HE1 PHE A 47 1.723 10.526 9.682 1.00 0.00 H new ATOM 0 HE2 PHE A 47 5.329 12.779 9.377 1.00 0.00 H new ATOM 0 HZ PHE A 47 2.880 12.701 9.610 1.00 0.00 H new ATOM 712 N GLN A 48 7.981 6.359 10.233 1.00 0.00 N ATOM 713 CA GLN A 48 8.905 5.247 10.049 1.00 0.00 C ATOM 714 C GLN A 48 8.994 4.397 11.311 1.00 0.00 C ATOM 715 O GLN A 48 9.063 3.170 11.240 1.00 0.00 O ATOM 716 CB GLN A 48 10.294 5.764 9.663 1.00 0.00 C ATOM 717 CG GLN A 48 10.961 6.590 10.751 1.00 0.00 C ATOM 718 CD GLN A 48 12.393 6.954 10.409 1.00 0.00 C ATOM 719 OE1 GLN A 48 12.674 7.456 9.321 1.00 0.00 O ATOM 720 NE2 GLN A 48 13.305 6.703 11.339 1.00 0.00 N ATOM 0 H GLN A 48 8.419 7.280 10.216 1.00 0.00 H new ATOM 0 HA GLN A 48 8.524 4.622 9.241 1.00 0.00 H new ATOM 0 HB2 GLN A 48 10.933 4.915 9.419 1.00 0.00 H new ATOM 0 HB3 GLN A 48 10.209 6.369 8.760 1.00 0.00 H new ATOM 0 HG2 GLN A 48 10.387 7.502 10.914 1.00 0.00 H new ATOM 0 HG3 GLN A 48 10.945 6.032 11.687 1.00 0.00 H new ATOM 0 HE21 GLN A 48 13.026 6.286 12.227 1.00 0.00 H new ATOM 0 HE22 GLN A 48 14.285 6.927 11.166 1.00 0.00 H new ATOM 729 N GLN A 49 8.989 5.055 12.467 1.00 0.00 N ATOM 730 CA GLN A 49 9.067 4.355 13.744 1.00 0.00 C ATOM 731 C GLN A 49 7.918 3.362 13.882 1.00 0.00 C ATOM 732 O GLN A 49 8.129 2.188 14.195 1.00 0.00 O ATOM 733 CB GLN A 49 9.039 5.353 14.902 1.00 0.00 C ATOM 734 CG GLN A 49 9.937 4.961 16.064 1.00 0.00 C ATOM 735 CD GLN A 49 9.962 6.007 17.162 1.00 0.00 C ATOM 736 OE1 GLN A 49 9.645 5.720 18.316 1.00 0.00 O ATOM 737 NE2 GLN A 49 10.340 7.229 16.805 1.00 0.00 N ATOM 0 H GLN A 49 8.932 6.070 12.545 1.00 0.00 H new ATOM 0 HA GLN A 49 10.008 3.806 13.776 1.00 0.00 H new ATOM 0 HB2 GLN A 49 9.342 6.333 14.534 1.00 0.00 H new ATOM 0 HB3 GLN A 49 8.015 5.451 15.262 1.00 0.00 H new ATOM 0 HG2 GLN A 49 9.595 4.013 16.479 1.00 0.00 H new ATOM 0 HG3 GLN A 49 10.951 4.801 15.697 1.00 0.00 H new ATOM 0 HE21 GLN A 49 10.594 7.422 15.836 1.00 0.00 H new ATOM 0 HE22 GLN A 49 10.376 7.975 17.500 1.00 0.00 H new ATOM 746 N ILE A 50 6.700 3.837 13.639 1.00 0.00 N ATOM 747 CA ILE A 50 5.520 2.988 13.728 1.00 0.00 C ATOM 748 C ILE A 50 5.633 1.815 12.764 1.00 0.00 C ATOM 749 O ILE A 50 5.312 0.679 13.111 1.00 0.00 O ATOM 750 CB ILE A 50 4.231 3.773 13.417 1.00 0.00 C ATOM 751 CG1 ILE A 50 4.112 4.989 14.336 1.00 0.00 C ATOM 752 CG2 ILE A 50 3.009 2.876 13.562 1.00 0.00 C ATOM 753 CD1 ILE A 50 3.251 6.093 13.763 1.00 0.00 C ATOM 0 H ILE A 50 6.506 4.804 13.379 1.00 0.00 H new ATOM 0 HA ILE A 50 5.465 2.620 14.753 1.00 0.00 H new ATOM 0 HB ILE A 50 4.281 4.121 12.385 1.00 0.00 H new ATOM 0 HG12 ILE A 50 3.696 4.673 15.292 1.00 0.00 H new ATOM 0 HG13 ILE A 50 5.109 5.382 14.537 1.00 0.00 H new ATOM 0 HG21 ILE A 50 2.109 3.448 13.338 1.00 0.00 H new ATOM 0 HG22 ILE A 50 3.088 2.039 12.869 1.00 0.00 H new ATOM 0 HG23 ILE A 50 2.954 2.498 14.583 1.00 0.00 H new ATOM 0 HD11 ILE A 50 3.210 6.925 14.467 1.00 0.00 H new ATOM 0 HD12 ILE A 50 3.678 6.436 12.821 1.00 0.00 H new ATOM 0 HD13 ILE A 50 2.244 5.715 13.588 1.00 0.00 H new ATOM 765 N TYR A 51 6.097 2.101 11.554 1.00 0.00 N ATOM 766 CA TYR A 51 6.261 1.070 10.536 1.00 0.00 C ATOM 767 C TYR A 51 7.157 -0.051 11.044 1.00 0.00 C ATOM 768 O TYR A 51 6.885 -1.231 10.818 1.00 0.00 O ATOM 769 CB TYR A 51 6.848 1.669 9.257 1.00 0.00 C ATOM 770 CG TYR A 51 6.956 0.676 8.123 1.00 0.00 C ATOM 771 CD1 TYR A 51 5.819 0.165 7.511 1.00 0.00 C ATOM 772 CD2 TYR A 51 8.195 0.247 7.666 1.00 0.00 C ATOM 773 CE1 TYR A 51 5.912 -0.745 6.477 1.00 0.00 C ATOM 774 CE2 TYR A 51 8.298 -0.664 6.632 1.00 0.00 C ATOM 775 CZ TYR A 51 7.154 -1.156 6.040 1.00 0.00 C ATOM 776 OH TYR A 51 7.250 -2.066 5.011 1.00 0.00 O ATOM 0 H TYR A 51 6.366 3.038 11.253 1.00 0.00 H new ATOM 0 HA TYR A 51 5.278 0.656 10.312 1.00 0.00 H new ATOM 0 HB2 TYR A 51 6.227 2.506 8.939 1.00 0.00 H new ATOM 0 HB3 TYR A 51 7.838 2.071 9.474 1.00 0.00 H new ATOM 0 HD1 TYR A 51 4.845 0.485 7.850 1.00 0.00 H new ATOM 0 HD2 TYR A 51 9.093 0.632 8.126 1.00 0.00 H new ATOM 0 HE1 TYR A 51 5.017 -1.133 6.013 1.00 0.00 H new ATOM 0 HE2 TYR A 51 9.269 -0.989 6.289 1.00 0.00 H new ATOM 0 HH TYR A 51 7.449 -2.953 5.376 1.00 0.00 H new ATOM 786 N TYR A 52 8.228 0.327 11.729 1.00 0.00 N ATOM 787 CA TYR A 52 9.172 -0.643 12.270 1.00 0.00 C ATOM 788 C TYR A 52 8.550 -1.452 13.399 1.00 0.00 C ATOM 789 O TYR A 52 8.879 -2.622 13.582 1.00 0.00 O ATOM 790 CB TYR A 52 10.437 0.061 12.764 1.00 0.00 C ATOM 791 CG TYR A 52 11.405 0.418 11.660 1.00 0.00 C ATOM 792 CD1 TYR A 52 10.966 1.044 10.500 1.00 0.00 C ATOM 793 CD2 TYR A 52 12.760 0.131 11.778 1.00 0.00 C ATOM 794 CE1 TYR A 52 11.848 1.373 9.489 1.00 0.00 C ATOM 795 CE2 TYR A 52 13.649 0.457 10.770 1.00 0.00 C ATOM 796 CZ TYR A 52 13.187 1.078 9.628 1.00 0.00 C ATOM 797 OH TYR A 52 14.069 1.404 8.623 1.00 0.00 O ATOM 0 H TYR A 52 8.465 1.300 11.924 1.00 0.00 H new ATOM 0 HA TYR A 52 9.437 -1.331 11.467 1.00 0.00 H new ATOM 0 HB2 TYR A 52 10.153 0.970 13.294 1.00 0.00 H new ATOM 0 HB3 TYR A 52 10.942 -0.583 13.484 1.00 0.00 H new ATOM 0 HD1 TYR A 52 9.918 1.277 10.387 1.00 0.00 H new ATOM 0 HD2 TYR A 52 13.124 -0.354 12.671 1.00 0.00 H new ATOM 0 HE1 TYR A 52 11.490 1.859 8.594 1.00 0.00 H new ATOM 0 HE2 TYR A 52 14.699 0.227 10.876 1.00 0.00 H new ATOM 0 HH TYR A 52 14.974 1.129 8.880 1.00 0.00 H new ATOM 807 N ALA A 53 7.655 -0.836 14.156 1.00 0.00 N ATOM 808 CA ALA A 53 7.006 -1.538 15.253 1.00 0.00 C ATOM 809 C ALA A 53 5.948 -2.492 14.719 1.00 0.00 C ATOM 810 O ALA A 53 5.955 -3.684 15.025 1.00 0.00 O ATOM 811 CB ALA A 53 6.385 -0.544 16.225 1.00 0.00 C ATOM 0 H ALA A 53 7.364 0.134 14.034 1.00 0.00 H new ATOM 0 HA ALA A 53 7.758 -2.119 15.787 1.00 0.00 H new ATOM 0 HB1 ALA A 53 5.903 -1.084 17.040 1.00 0.00 H new ATOM 0 HB2 ALA A 53 7.163 0.104 16.629 1.00 0.00 H new ATOM 0 HB3 ALA A 53 5.644 0.061 15.703 1.00 0.00 H new ATOM 817 N TYR A 54 5.049 -1.956 13.902 1.00 0.00 N ATOM 818 CA TYR A 54 3.987 -2.752 13.300 1.00 0.00 C ATOM 819 C TYR A 54 4.484 -3.539 12.078 1.00 0.00 C ATOM 820 O TYR A 54 3.689 -4.169 11.381 1.00 0.00 O ATOM 821 CB TYR A 54 2.785 -1.855 12.950 1.00 0.00 C ATOM 822 CG TYR A 54 2.621 -1.528 11.480 1.00 0.00 C ATOM 823 CD1 TYR A 54 1.883 -2.356 10.643 1.00 0.00 C ATOM 824 CD2 TYR A 54 3.193 -0.388 10.935 1.00 0.00 C ATOM 825 CE1 TYR A 54 1.725 -2.057 9.304 1.00 0.00 C ATOM 826 CE2 TYR A 54 3.038 -0.081 9.597 1.00 0.00 C ATOM 827 CZ TYR A 54 2.305 -0.919 8.785 1.00 0.00 C ATOM 828 OH TYR A 54 2.148 -0.619 7.452 1.00 0.00 O ATOM 0 H TYR A 54 5.035 -0.970 13.641 1.00 0.00 H new ATOM 0 HA TYR A 54 3.661 -3.491 14.031 1.00 0.00 H new ATOM 0 HB2 TYR A 54 1.875 -2.344 13.299 1.00 0.00 H new ATOM 0 HB3 TYR A 54 2.878 -0.921 13.504 1.00 0.00 H new ATOM 0 HD1 TYR A 54 1.426 -3.248 11.046 1.00 0.00 H new ATOM 0 HD2 TYR A 54 3.769 0.271 11.567 1.00 0.00 H new ATOM 0 HE1 TYR A 54 1.150 -2.712 8.666 1.00 0.00 H new ATOM 0 HE2 TYR A 54 3.489 0.812 9.189 1.00 0.00 H new ATOM 0 HH TYR A 54 2.618 0.216 7.247 1.00 0.00 H new ATOM 838 N ARG A 55 5.794 -3.503 11.810 1.00 0.00 N ATOM 839 CA ARG A 55 6.353 -4.216 10.660 1.00 0.00 C ATOM 840 C ARG A 55 5.938 -5.684 10.657 1.00 0.00 C ATOM 841 O ARG A 55 5.886 -6.319 9.603 1.00 0.00 O ATOM 842 CB ARG A 55 7.880 -4.116 10.658 1.00 0.00 C ATOM 843 CG ARG A 55 8.530 -4.666 11.918 1.00 0.00 C ATOM 844 CD ARG A 55 8.837 -6.150 11.799 1.00 0.00 C ATOM 845 NE ARG A 55 9.556 -6.651 12.967 1.00 0.00 N ATOM 846 CZ ARG A 55 10.241 -7.793 12.984 1.00 0.00 C ATOM 847 NH1 ARG A 55 10.304 -8.553 11.899 1.00 0.00 N ATOM 848 NH2 ARG A 55 10.865 -8.175 14.090 1.00 0.00 N ATOM 0 H ARG A 55 6.479 -2.993 12.368 1.00 0.00 H new ATOM 0 HA ARG A 55 5.957 -3.745 9.760 1.00 0.00 H new ATOM 0 HB2 ARG A 55 8.269 -4.655 9.794 1.00 0.00 H new ATOM 0 HB3 ARG A 55 8.167 -3.071 10.538 1.00 0.00 H new ATOM 0 HG2 ARG A 55 9.452 -4.120 12.118 1.00 0.00 H new ATOM 0 HG3 ARG A 55 7.870 -4.499 12.769 1.00 0.00 H new ATOM 0 HD2 ARG A 55 7.907 -6.705 11.679 1.00 0.00 H new ATOM 0 HD3 ARG A 55 9.431 -6.327 10.903 1.00 0.00 H new ATOM 0 HE ARG A 55 9.532 -6.093 13.821 1.00 0.00 H new ATOM 0 HH11 ARG A 55 9.826 -8.264 11.045 1.00 0.00 H new ATOM 0 HH12 ARG A 55 10.830 -9.427 11.918 1.00 0.00 H new ATOM 0 HH21 ARG A 55 10.820 -7.594 14.927 1.00 0.00 H new ATOM 0 HH22 ARG A 55 11.390 -9.050 14.103 1.00 0.00 H new ATOM 862 N SER A 56 5.637 -6.219 11.835 1.00 0.00 N ATOM 863 CA SER A 56 5.225 -7.614 11.954 1.00 0.00 C ATOM 864 C SER A 56 3.970 -7.888 11.127 1.00 0.00 C ATOM 865 O SER A 56 3.674 -9.034 10.792 1.00 0.00 O ATOM 866 CB SER A 56 4.972 -7.970 13.420 1.00 0.00 C ATOM 867 OG SER A 56 4.613 -6.822 14.170 1.00 0.00 O ATOM 0 H SER A 56 5.670 -5.711 12.719 1.00 0.00 H new ATOM 0 HA SER A 56 6.032 -8.237 11.569 1.00 0.00 H new ATOM 0 HB2 SER A 56 4.178 -8.713 13.485 1.00 0.00 H new ATOM 0 HB3 SER A 56 5.867 -8.422 13.847 1.00 0.00 H new ATOM 0 HG SER A 56 4.455 -7.077 15.103 1.00 0.00 H new ATOM 873 N VAL A 57 3.233 -6.827 10.805 1.00 0.00 N ATOM 874 CA VAL A 57 2.009 -6.952 10.023 1.00 0.00 C ATOM 875 C VAL A 57 2.307 -7.045 8.528 1.00 0.00 C ATOM 876 O VAL A 57 2.105 -8.091 7.909 1.00 0.00 O ATOM 877 CB VAL A 57 1.065 -5.758 10.276 1.00 0.00 C ATOM 878 CG1 VAL A 57 -0.177 -5.850 9.400 1.00 0.00 C ATOM 879 CG2 VAL A 57 0.683 -5.684 11.746 1.00 0.00 C ATOM 0 H VAL A 57 3.464 -5.871 11.075 1.00 0.00 H new ATOM 0 HA VAL A 57 1.522 -7.873 10.344 1.00 0.00 H new ATOM 0 HB VAL A 57 1.595 -4.843 10.011 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -0.826 -4.997 9.598 1.00 0.00 H new ATOM 0 HG12 VAL A 57 0.117 -5.847 8.350 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -0.713 -6.773 9.624 1.00 0.00 H new ATOM 0 HG21 VAL A 57 0.017 -4.836 11.907 1.00 0.00 H new ATOM 0 HG22 VAL A 57 0.176 -6.604 12.037 1.00 0.00 H new ATOM 0 HG23 VAL A 57 1.582 -5.559 12.350 1.00 0.00 H new ATOM 889 N TRP A 58 2.772 -5.942 7.953 1.00 0.00 N ATOM 890 CA TRP A 58 3.079 -5.891 6.528 1.00 0.00 C ATOM 891 C TRP A 58 4.425 -6.548 6.215 1.00 0.00 C ATOM 892 O TRP A 58 4.475 -7.722 5.850 1.00 0.00 O ATOM 893 CB TRP A 58 3.057 -4.441 6.038 1.00 0.00 C ATOM 894 CG TRP A 58 1.936 -4.146 5.085 1.00 0.00 C ATOM 895 CD1 TRP A 58 1.947 -3.223 4.081 1.00 0.00 C ATOM 896 CD2 TRP A 58 0.642 -4.769 5.044 1.00 0.00 C ATOM 897 NE1 TRP A 58 0.749 -3.236 3.412 1.00 0.00 N ATOM 898 CE2 TRP A 58 -0.069 -4.175 3.983 1.00 0.00 C ATOM 899 CE3 TRP A 58 0.016 -5.770 5.794 1.00 0.00 C ATOM 900 CZ2 TRP A 58 -1.369 -4.549 3.656 1.00 0.00 C ATOM 901 CZ3 TRP A 58 -1.275 -6.139 5.467 1.00 0.00 C ATOM 902 CH2 TRP A 58 -1.955 -5.530 4.405 1.00 0.00 C ATOM 0 H TRP A 58 2.945 -5.070 8.452 1.00 0.00 H new ATOM 0 HA TRP A 58 2.312 -6.456 5.998 1.00 0.00 H new ATOM 0 HB2 TRP A 58 2.976 -3.777 6.898 1.00 0.00 H new ATOM 0 HB3 TRP A 58 4.006 -4.217 5.551 1.00 0.00 H new ATOM 0 HD1 TRP A 58 2.779 -2.575 3.846 1.00 0.00 H new ATOM 0 HE1 TRP A 58 0.507 -2.643 2.618 1.00 0.00 H new ATOM 0 HE3 TRP A 58 0.533 -6.246 6.614 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 -1.896 -4.080 2.838 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 -1.768 -6.910 6.040 1.00 0.00 H new ATOM 0 HH2 TRP A 58 -2.963 -5.842 4.173 1.00 0.00 H new ATOM 913 N HIS A 59 5.513 -5.793 6.348 1.00 0.00 N ATOM 914 CA HIS A 59 6.841 -6.329 6.064 1.00 0.00 C ATOM 915 C HIS A 59 7.936 -5.498 6.733 1.00 0.00 C ATOM 916 O HIS A 59 7.815 -4.279 6.853 1.00 0.00 O ATOM 917 CB HIS A 59 7.077 -6.374 4.551 1.00 0.00 C ATOM 918 CG HIS A 59 7.726 -7.639 4.082 1.00 0.00 C ATOM 919 ND1 HIS A 59 7.083 -8.861 4.085 1.00 0.00 N ATOM 920 CD2 HIS A 59 8.965 -7.870 3.591 1.00 0.00 C ATOM 921 CE1 HIS A 59 7.901 -9.787 3.618 1.00 0.00 C ATOM 922 NE2 HIS A 59 9.049 -9.211 3.310 1.00 0.00 N ATOM 0 H HIS A 59 5.502 -4.818 6.648 1.00 0.00 H new ATOM 0 HA HIS A 59 6.886 -7.339 6.471 1.00 0.00 H new ATOM 0 HB2 HIS A 59 6.122 -6.254 4.039 1.00 0.00 H new ATOM 0 HB3 HIS A 59 7.701 -5.528 4.264 1.00 0.00 H new ATOM 0 HD2 HIS A 59 9.744 -7.136 3.447 1.00 0.00 H new ATOM 0 HE1 HIS A 59 7.670 -10.836 3.507 1.00 0.00 H new ATOM 0 HE2 HIS A 59 9.866 -9.686 2.926 1.00 0.00 H new ATOM 931 N PRO A 60 9.028 -6.151 7.176 1.00 0.00 N ATOM 932 CA PRO A 60 10.150 -5.477 7.830 1.00 0.00 C ATOM 933 C PRO A 60 11.093 -4.821 6.824 1.00 0.00 C ATOM 934 O PRO A 60 10.702 -4.521 5.696 1.00 0.00 O ATOM 935 CB PRO A 60 10.875 -6.614 8.578 1.00 0.00 C ATOM 936 CG PRO A 60 10.090 -7.862 8.306 1.00 0.00 C ATOM 937 CD PRO A 60 9.267 -7.593 7.080 1.00 0.00 C ATOM 0 HA PRO A 60 9.813 -4.671 8.481 1.00 0.00 H new ATOM 0 HB2 PRO A 60 11.902 -6.717 8.228 1.00 0.00 H new ATOM 0 HB3 PRO A 60 10.921 -6.409 9.647 1.00 0.00 H new ATOM 0 HG2 PRO A 60 10.755 -8.711 8.148 1.00 0.00 H new ATOM 0 HG3 PRO A 60 9.452 -8.111 9.154 1.00 0.00 H new ATOM 0 HD2 PRO A 60 9.800 -7.857 6.166 1.00 0.00 H new ATOM 0 HD3 PRO A 60 8.336 -8.161 7.082 1.00 0.00 H new ATOM 945 N ALA A 61 12.339 -4.602 7.241 1.00 0.00 N ATOM 946 CA ALA A 61 13.341 -3.986 6.379 1.00 0.00 C ATOM 947 C ALA A 61 12.960 -2.556 6.016 1.00 0.00 C ATOM 948 O ALA A 61 11.828 -2.129 6.241 1.00 0.00 O ATOM 949 CB ALA A 61 13.538 -4.818 5.119 1.00 0.00 C ATOM 0 H ALA A 61 12.677 -4.843 8.173 1.00 0.00 H new ATOM 0 HA ALA A 61 14.280 -3.951 6.931 1.00 0.00 H new ATOM 0 HB1 ALA A 61 14.289 -4.346 4.485 1.00 0.00 H new ATOM 0 HB2 ALA A 61 13.871 -5.819 5.392 1.00 0.00 H new ATOM 0 HB3 ALA A 61 12.595 -4.885 4.576 1.00 0.00 H new ATOM 955 N ARG A 62 13.914 -1.822 5.450 1.00 0.00 N ATOM 956 CA ARG A 62 13.682 -0.439 5.053 1.00 0.00 C ATOM 957 C ARG A 62 12.601 -0.357 3.981 1.00 0.00 C ATOM 958 O ARG A 62 12.760 -0.887 2.883 1.00 0.00 O ATOM 959 CB ARG A 62 14.977 0.191 4.537 1.00 0.00 C ATOM 960 CG ARG A 62 15.965 0.543 5.638 1.00 0.00 C ATOM 961 CD ARG A 62 17.377 0.683 5.093 1.00 0.00 C ATOM 962 NE ARG A 62 17.443 1.636 3.987 1.00 0.00 N ATOM 963 CZ ARG A 62 17.383 2.956 4.141 1.00 0.00 C ATOM 964 NH1 ARG A 62 17.252 3.485 5.351 1.00 0.00 N ATOM 965 NH2 ARG A 62 17.452 3.751 3.080 1.00 0.00 N ATOM 0 H ARG A 62 14.855 -2.163 5.256 1.00 0.00 H new ATOM 0 HA ARG A 62 13.343 0.113 5.930 1.00 0.00 H new ATOM 0 HB2 ARG A 62 15.454 -0.498 3.840 1.00 0.00 H new ATOM 0 HB3 ARG A 62 14.734 1.094 3.977 1.00 0.00 H new ATOM 0 HG2 ARG A 62 15.663 1.476 6.115 1.00 0.00 H new ATOM 0 HG3 ARG A 62 15.945 -0.229 6.407 1.00 0.00 H new ATOM 0 HD2 ARG A 62 18.044 1.007 5.892 1.00 0.00 H new ATOM 0 HD3 ARG A 62 17.734 -0.290 4.755 1.00 0.00 H new ATOM 0 HE ARG A 62 17.541 1.267 3.041 1.00 0.00 H new ATOM 0 HH11 ARG A 62 17.197 2.879 6.169 1.00 0.00 H new ATOM 0 HH12 ARG A 62 17.207 4.498 5.463 1.00 0.00 H new ATOM 0 HH21 ARG A 62 17.551 3.350 2.148 1.00 0.00 H new ATOM 0 HH22 ARG A 62 17.406 4.763 3.197 1.00 0.00 H new ATOM 979 N THR A 63 11.499 0.310 4.310 1.00 0.00 N ATOM 980 CA THR A 63 10.391 0.462 3.376 1.00 0.00 C ATOM 981 C THR A 63 9.518 1.652 3.751 1.00 0.00 C ATOM 982 O THR A 63 8.323 1.675 3.457 1.00 0.00 O ATOM 983 CB THR A 63 9.549 -0.814 3.342 1.00 0.00 C ATOM 984 OG1 THR A 63 10.379 -1.962 3.327 1.00 0.00 O ATOM 985 CG2 THR A 63 8.632 -0.896 2.142 1.00 0.00 C ATOM 0 H THR A 63 11.350 0.753 5.216 1.00 0.00 H new ATOM 0 HA THR A 63 10.807 0.642 2.385 1.00 0.00 H new ATOM 0 HB THR A 63 8.937 -0.779 4.244 1.00 0.00 H new ATOM 0 HG1 THR A 63 11.190 -1.773 2.810 1.00 0.00 H new ATOM 0 HG21 THR A 63 8.064 -1.826 2.181 1.00 0.00 H new ATOM 0 HG22 THR A 63 7.944 -0.050 2.151 1.00 0.00 H new ATOM 0 HG23 THR A 63 9.226 -0.871 1.228 1.00 0.00 H new ATOM 993 N VAL A 64 10.121 2.646 4.397 1.00 0.00 N ATOM 994 CA VAL A 64 9.392 3.842 4.802 1.00 0.00 C ATOM 995 C VAL A 64 8.778 4.533 3.590 1.00 0.00 C ATOM 996 O VAL A 64 7.736 5.180 3.693 1.00 0.00 O ATOM 997 CB VAL A 64 10.301 4.833 5.557 1.00 0.00 C ATOM 998 CG1 VAL A 64 9.532 6.090 5.940 1.00 0.00 C ATOM 999 CG2 VAL A 64 10.897 4.170 6.789 1.00 0.00 C ATOM 0 H VAL A 64 11.109 2.647 4.650 1.00 0.00 H new ATOM 0 HA VAL A 64 8.598 3.523 5.477 1.00 0.00 H new ATOM 0 HB VAL A 64 11.115 5.126 4.894 1.00 0.00 H new ATOM 0 HG11 VAL A 64 10.194 6.774 6.471 1.00 0.00 H new ATOM 0 HG12 VAL A 64 9.156 6.575 5.039 1.00 0.00 H new ATOM 0 HG13 VAL A 64 8.694 5.822 6.584 1.00 0.00 H new ATOM 0 HG21 VAL A 64 11.536 4.881 7.312 1.00 0.00 H new ATOM 0 HG22 VAL A 64 10.095 3.847 7.453 1.00 0.00 H new ATOM 0 HG23 VAL A 64 11.488 3.305 6.487 1.00 0.00 H new ATOM 1009 N SER A 65 9.424 4.380 2.435 1.00 0.00 N ATOM 1010 CA SER A 65 8.928 4.980 1.203 1.00 0.00 C ATOM 1011 C SER A 65 7.522 4.477 0.908 1.00 0.00 C ATOM 1012 O SER A 65 6.616 5.259 0.615 1.00 0.00 O ATOM 1013 CB SER A 65 9.862 4.655 0.035 1.00 0.00 C ATOM 1014 OG SER A 65 10.082 5.796 -0.775 1.00 0.00 O ATOM 0 H SER A 65 10.288 3.848 2.329 1.00 0.00 H new ATOM 0 HA SER A 65 8.897 6.062 1.330 1.00 0.00 H new ATOM 0 HB2 SER A 65 10.814 4.288 0.418 1.00 0.00 H new ATOM 0 HB3 SER A 65 9.431 3.855 -0.567 1.00 0.00 H new ATOM 0 HG SER A 65 10.683 5.562 -1.513 1.00 0.00 H new ATOM 1020 N GLN A 66 7.346 3.167 1.008 1.00 0.00 N ATOM 1021 CA GLN A 66 6.046 2.555 0.773 1.00 0.00 C ATOM 1022 C GLN A 66 5.030 3.102 1.767 1.00 0.00 C ATOM 1023 O GLN A 66 3.879 3.364 1.419 1.00 0.00 O ATOM 1024 CB GLN A 66 6.139 1.031 0.895 1.00 0.00 C ATOM 1025 CG GLN A 66 5.539 0.289 -0.288 1.00 0.00 C ATOM 1026 CD GLN A 66 6.575 -0.480 -1.084 1.00 0.00 C ATOM 1027 OE1 GLN A 66 7.589 0.077 -1.506 1.00 0.00 O ATOM 1028 NE2 GLN A 66 6.325 -1.768 -1.295 1.00 0.00 N ATOM 0 H GLN A 66 8.086 2.508 1.250 1.00 0.00 H new ATOM 0 HA GLN A 66 5.722 2.799 -0.239 1.00 0.00 H new ATOM 0 HB2 GLN A 66 7.186 0.746 0.999 1.00 0.00 H new ATOM 0 HB3 GLN A 66 5.631 0.716 1.807 1.00 0.00 H new ATOM 0 HG2 GLN A 66 4.776 -0.402 0.071 1.00 0.00 H new ATOM 0 HG3 GLN A 66 5.039 1.002 -0.943 1.00 0.00 H new ATOM 0 HE21 GLN A 66 5.472 -2.189 -0.927 1.00 0.00 H new ATOM 0 HE22 GLN A 66 6.986 -2.336 -1.825 1.00 0.00 H new ATOM 1037 N LEU A 67 5.479 3.291 3.005 1.00 0.00 N ATOM 1038 CA LEU A 67 4.625 3.826 4.061 1.00 0.00 C ATOM 1039 C LEU A 67 4.055 5.170 3.646 1.00 0.00 C ATOM 1040 O LEU A 67 2.851 5.407 3.743 1.00 0.00 O ATOM 1041 CB LEU A 67 5.420 3.973 5.359 1.00 0.00 C ATOM 1042 CG LEU A 67 4.586 3.907 6.638 1.00 0.00 C ATOM 1043 CD1 LEU A 67 3.547 5.018 6.653 1.00 0.00 C ATOM 1044 CD2 LEU A 67 3.920 2.546 6.764 1.00 0.00 C ATOM 0 H LEU A 67 6.432 3.081 3.302 1.00 0.00 H new ATOM 0 HA LEU A 67 3.802 3.132 4.228 1.00 0.00 H new ATOM 0 HB2 LEU A 67 6.176 3.189 5.395 1.00 0.00 H new ATOM 0 HB3 LEU A 67 5.950 4.925 5.337 1.00 0.00 H new ATOM 0 HG LEU A 67 5.247 4.047 7.493 1.00 0.00 H new ATOM 0 HD11 LEU A 67 2.962 4.956 7.571 1.00 0.00 H new ATOM 0 HD12 LEU A 67 4.048 5.985 6.606 1.00 0.00 H new ATOM 0 HD13 LEU A 67 2.886 4.910 5.793 1.00 0.00 H new ATOM 0 HD21 LEU A 67 3.329 2.513 7.680 1.00 0.00 H new ATOM 0 HD22 LEU A 67 3.269 2.379 5.906 1.00 0.00 H new ATOM 0 HD23 LEU A 67 4.684 1.769 6.797 1.00 0.00 H new ATOM 1056 N TYR A 68 4.929 6.038 3.165 1.00 0.00 N ATOM 1057 CA TYR A 68 4.518 7.355 2.714 1.00 0.00 C ATOM 1058 C TYR A 68 3.573 7.223 1.525 1.00 0.00 C ATOM 1059 O TYR A 68 2.720 8.077 1.300 1.00 0.00 O ATOM 1060 CB TYR A 68 5.738 8.195 2.332 1.00 0.00 C ATOM 1061 CG TYR A 68 6.493 8.745 3.524 1.00 0.00 C ATOM 1062 CD1 TYR A 68 6.804 7.934 4.610 1.00 0.00 C ATOM 1063 CD2 TYR A 68 6.893 10.074 3.563 1.00 0.00 C ATOM 1064 CE1 TYR A 68 7.492 8.433 5.699 1.00 0.00 C ATOM 1065 CE2 TYR A 68 7.583 10.580 4.649 1.00 0.00 C ATOM 1066 CZ TYR A 68 7.879 9.756 5.713 1.00 0.00 C ATOM 1067 OH TYR A 68 8.565 10.257 6.796 1.00 0.00 O ATOM 0 H TYR A 68 5.928 5.853 3.077 1.00 0.00 H new ATOM 0 HA TYR A 68 3.996 7.859 3.528 1.00 0.00 H new ATOM 0 HB2 TYR A 68 6.415 7.586 1.733 1.00 0.00 H new ATOM 0 HB3 TYR A 68 5.415 9.024 1.703 1.00 0.00 H new ATOM 0 HD1 TYR A 68 6.503 6.897 4.602 1.00 0.00 H new ATOM 0 HD2 TYR A 68 6.661 10.723 2.731 1.00 0.00 H new ATOM 0 HE1 TYR A 68 7.725 7.790 6.535 1.00 0.00 H new ATOM 0 HE2 TYR A 68 7.888 11.616 4.663 1.00 0.00 H new ATOM 0 HH TYR A 68 8.764 11.205 6.647 1.00 0.00 H new ATOM 1077 N ASP A 69 3.735 6.140 0.768 1.00 0.00 N ATOM 1078 CA ASP A 69 2.897 5.891 -0.399 1.00 0.00 C ATOM 1079 C ASP A 69 1.453 5.621 0.002 1.00 0.00 C ATOM 1080 O ASP A 69 0.529 6.227 -0.542 1.00 0.00 O ATOM 1081 CB ASP A 69 3.448 4.715 -1.211 1.00 0.00 C ATOM 1082 CG ASP A 69 3.677 5.074 -2.666 1.00 0.00 C ATOM 1083 OD1 ASP A 69 4.018 6.244 -2.944 1.00 0.00 O ATOM 1084 OD2 ASP A 69 3.514 4.187 -3.529 1.00 0.00 O ATOM 0 H ASP A 69 4.439 5.422 0.943 1.00 0.00 H new ATOM 0 HA ASP A 69 2.913 6.788 -1.017 1.00 0.00 H new ATOM 0 HB2 ASP A 69 4.387 4.381 -0.770 1.00 0.00 H new ATOM 0 HB3 ASP A 69 2.752 3.878 -1.151 1.00 0.00 H new ATOM 1089 N HIS A 70 1.256 4.723 0.960 1.00 0.00 N ATOM 1090 CA HIS A 70 -0.097 4.410 1.423 1.00 0.00 C ATOM 1091 C HIS A 70 -0.608 5.530 2.316 1.00 0.00 C ATOM 1092 O HIS A 70 -1.807 5.808 2.364 1.00 0.00 O ATOM 1093 CB HIS A 70 -0.167 3.071 2.176 1.00 0.00 C ATOM 1094 CG HIS A 70 1.097 2.271 2.165 1.00 0.00 C ATOM 1095 ND1 HIS A 70 1.896 2.121 3.276 1.00 0.00 N ATOM 1096 CD2 HIS A 70 1.692 1.562 1.176 1.00 0.00 C ATOM 1097 CE1 HIS A 70 2.928 1.358 2.975 1.00 0.00 C ATOM 1098 NE2 HIS A 70 2.830 1.002 1.708 1.00 0.00 N ATOM 0 H HIS A 70 2.000 4.205 1.427 1.00 0.00 H new ATOM 0 HA HIS A 70 -0.728 4.318 0.539 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -0.445 3.268 3.211 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -0.964 2.468 1.741 1.00 0.00 H new ATOM 0 HD1 HIS A 70 1.717 2.536 4.190 1.00 0.00 H new ATOM 0 HD2 HIS A 70 1.339 1.456 0.161 1.00 0.00 H new ATOM 0 HE1 HIS A 70 3.720 1.072 3.651 1.00 0.00 H new ATOM 1107 N TRP A 71 0.316 6.173 3.019 1.00 0.00 N ATOM 1108 CA TRP A 71 -0.026 7.268 3.911 1.00 0.00 C ATOM 1109 C TRP A 71 -0.342 8.531 3.117 1.00 0.00 C ATOM 1110 O TRP A 71 -1.173 9.341 3.527 1.00 0.00 O ATOM 1111 CB TRP A 71 1.126 7.526 4.885 1.00 0.00 C ATOM 1112 CG TRP A 71 0.759 8.448 6.008 1.00 0.00 C ATOM 1113 CD1 TRP A 71 1.390 9.606 6.357 1.00 0.00 C ATOM 1114 CD2 TRP A 71 -0.326 8.287 6.929 1.00 0.00 C ATOM 1115 NE1 TRP A 71 0.764 10.177 7.439 1.00 0.00 N ATOM 1116 CE2 TRP A 71 -0.292 9.387 7.809 1.00 0.00 C ATOM 1117 CE3 TRP A 71 -1.324 7.323 7.097 1.00 0.00 C ATOM 1118 CZ2 TRP A 71 -1.216 9.546 8.839 1.00 0.00 C ATOM 1119 CZ3 TRP A 71 -2.240 7.482 8.118 1.00 0.00 C ATOM 1120 CH2 TRP A 71 -2.181 8.586 8.979 1.00 0.00 C ATOM 0 H TRP A 71 1.311 5.952 2.987 1.00 0.00 H new ATOM 0 HA TRP A 71 -0.915 6.991 4.478 1.00 0.00 H new ATOM 0 HB2 TRP A 71 1.461 6.575 5.300 1.00 0.00 H new ATOM 0 HB3 TRP A 71 1.968 7.949 4.337 1.00 0.00 H new ATOM 0 HD1 TRP A 71 2.255 10.014 5.856 1.00 0.00 H new ATOM 0 HE1 TRP A 71 1.041 11.048 7.893 1.00 0.00 H new ATOM 0 HE3 TRP A 71 -1.378 6.468 6.439 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 -1.172 10.396 9.503 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 -3.015 6.743 8.255 1.00 0.00 H new ATOM 0 HH2 TRP A 71 -2.912 8.681 9.769 1.00 0.00 H new ATOM 1131 N ARG A 72 0.319 8.690 1.971 1.00 0.00 N ATOM 1132 CA ARG A 72 0.093 9.853 1.121 1.00 0.00 C ATOM 1133 C ARG A 72 -1.180 9.676 0.302 1.00 0.00 C ATOM 1134 O ARG A 72 -1.875 10.644 -0.003 1.00 0.00 O ATOM 1135 CB ARG A 72 1.286 10.079 0.191 1.00 0.00 C ATOM 1136 CG ARG A 72 1.153 11.319 -0.678 1.00 0.00 C ATOM 1137 CD ARG A 72 1.890 12.504 -0.073 1.00 0.00 C ATOM 1138 NE ARG A 72 0.997 13.367 0.696 1.00 0.00 N ATOM 1139 CZ ARG A 72 1.418 14.263 1.586 1.00 0.00 C ATOM 1140 NH1 ARG A 72 2.716 14.415 1.821 1.00 0.00 N ATOM 1141 NH2 ARG A 72 0.541 15.008 2.244 1.00 0.00 N ATOM 0 H ARG A 72 1.011 8.031 1.613 1.00 0.00 H new ATOM 0 HA ARG A 72 -0.021 10.727 1.763 1.00 0.00 H new ATOM 0 HB2 ARG A 72 2.193 10.161 0.790 1.00 0.00 H new ATOM 0 HB3 ARG A 72 1.406 9.206 -0.451 1.00 0.00 H new ATOM 0 HG2 ARG A 72 1.549 11.112 -1.672 1.00 0.00 H new ATOM 0 HG3 ARG A 72 0.099 11.568 -0.800 1.00 0.00 H new ATOM 0 HD2 ARG A 72 2.690 12.142 0.573 1.00 0.00 H new ATOM 0 HD3 ARG A 72 2.359 13.084 -0.868 1.00 0.00 H new ATOM 0 HE ARG A 72 -0.007 13.278 0.542 1.00 0.00 H new ATOM 0 HH11 ARG A 72 3.396 13.844 1.319 1.00 0.00 H new ATOM 0 HH12 ARG A 72 3.034 15.103 2.504 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -0.457 14.895 2.069 1.00 0.00 H new ATOM 0 HH22 ARG A 72 0.865 15.694 2.926 1.00 0.00 H new ATOM 1155 N GLY A 73 -1.481 8.429 -0.046 1.00 0.00 N ATOM 1156 CA GLY A 73 -2.673 8.143 -0.821 1.00 0.00 C ATOM 1157 C GLY A 73 -3.927 8.169 0.030 1.00 0.00 C ATOM 1158 O GLY A 73 -5.010 8.490 -0.459 1.00 0.00 O ATOM 0 H GLY A 73 -0.920 7.612 0.195 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -2.766 8.873 -1.625 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -2.574 7.164 -1.290 1.00 0.00 H new ATOM 1162 N THR A 74 -3.778 7.832 1.308 1.00 0.00 N ATOM 1163 CA THR A 74 -4.907 7.821 2.229 1.00 0.00 C ATOM 1164 C THR A 74 -5.206 9.229 2.738 1.00 0.00 C ATOM 1165 O THR A 74 -6.366 9.606 2.902 1.00 0.00 O ATOM 1166 CB THR A 74 -4.623 6.891 3.410 1.00 0.00 C ATOM 1167 OG1 THR A 74 -3.303 7.080 3.889 1.00 0.00 O ATOM 1168 CG2 THR A 74 -4.781 5.425 3.069 1.00 0.00 C ATOM 0 H THR A 74 -2.888 7.564 1.727 1.00 0.00 H new ATOM 0 HA THR A 74 -5.780 7.454 1.689 1.00 0.00 H new ATOM 0 HB THR A 74 -5.361 7.153 4.168 1.00 0.00 H new ATOM 0 HG1 THR A 74 -2.758 6.298 3.662 1.00 0.00 H new ATOM 0 HG21 THR A 74 -4.565 4.821 3.950 1.00 0.00 H new ATOM 0 HG22 THR A 74 -5.803 5.236 2.741 1.00 0.00 H new ATOM 0 HG23 THR A 74 -4.089 5.161 2.270 1.00 0.00 H new ATOM 1176 N LEU A 75 -4.152 10.000 2.981 1.00 0.00 N ATOM 1177 CA LEU A 75 -4.302 11.367 3.468 1.00 0.00 C ATOM 1178 C LEU A 75 -4.548 12.333 2.314 1.00 0.00 C ATOM 1179 O LEU A 75 -5.633 12.899 2.188 1.00 0.00 O ATOM 1180 CB LEU A 75 -3.056 11.791 4.250 1.00 0.00 C ATOM 1181 CG LEU A 75 -3.327 12.682 5.463 1.00 0.00 C ATOM 1182 CD1 LEU A 75 -4.133 13.907 5.055 1.00 0.00 C ATOM 1183 CD2 LEU A 75 -4.053 11.900 6.547 1.00 0.00 C ATOM 0 H LEU A 75 -3.185 9.703 2.849 1.00 0.00 H new ATOM 0 HA LEU A 75 -5.166 11.397 4.131 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -2.534 10.895 4.586 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -2.383 12.318 3.574 1.00 0.00 H new ATOM 0 HG LEU A 75 -2.371 13.018 5.865 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -4.317 14.530 5.930 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -3.575 14.479 4.313 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -5.085 13.591 4.629 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -4.238 12.550 7.403 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -5.003 11.534 6.157 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -3.439 11.055 6.859 1.00 0.00 H new ATOM 1195 N ARG A 76 -3.533 12.516 1.475 1.00 0.00 N ATOM 1196 CA ARG A 76 -3.639 13.417 0.332 1.00 0.00 C ATOM 1197 C ARG A 76 -3.945 14.840 0.786 1.00 0.00 C ATOM 1198 O ARG A 76 -4.254 15.076 1.954 1.00 0.00 O ATOM 1199 CB ARG A 76 -4.726 12.931 -0.629 1.00 0.00 C ATOM 1200 CG ARG A 76 -4.279 11.787 -1.526 1.00 0.00 C ATOM 1201 CD ARG A 76 -4.647 12.036 -2.981 1.00 0.00 C ATOM 1202 NE ARG A 76 -3.468 12.292 -3.806 1.00 0.00 N ATOM 1203 CZ ARG A 76 -3.446 12.163 -5.131 1.00 0.00 C ATOM 1204 NH1 ARG A 76 -4.537 11.783 -5.786 1.00 0.00 N ATOM 1205 NH2 ARG A 76 -2.331 12.413 -5.802 1.00 0.00 N ATOM 0 H ARG A 76 -2.629 12.053 1.565 1.00 0.00 H new ATOM 0 HA ARG A 76 -2.680 13.419 -0.186 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -5.593 12.611 -0.051 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -5.048 13.765 -1.252 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -3.200 11.658 -1.441 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -4.739 10.858 -1.188 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -5.183 11.172 -3.373 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -5.325 12.887 -3.043 1.00 0.00 H new ATOM 0 HE ARG A 76 -2.611 12.587 -3.339 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -5.397 11.588 -5.274 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -4.515 11.686 -6.801 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -1.490 12.704 -5.303 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -2.314 12.314 -6.817 1.00 0.00 H new ATOM 1219 N TYR A 77 -3.856 15.786 -0.144 1.00 0.00 N ATOM 1220 CA TYR A 77 -4.124 17.186 0.162 1.00 0.00 C ATOM 1221 C TYR A 77 -4.890 17.856 -0.974 1.00 0.00 C ATOM 1222 O TYR A 77 -5.917 18.496 -0.751 1.00 0.00 O ATOM 1223 CB TYR A 77 -2.815 17.933 0.419 1.00 0.00 C ATOM 1224 CG TYR A 77 -1.772 17.717 -0.654 1.00 0.00 C ATOM 1225 CD1 TYR A 77 -1.037 16.539 -0.709 1.00 0.00 C ATOM 1226 CD2 TYR A 77 -1.520 18.691 -1.613 1.00 0.00 C ATOM 1227 CE1 TYR A 77 -0.083 16.338 -1.687 1.00 0.00 C ATOM 1228 CE2 TYR A 77 -0.568 18.497 -2.594 1.00 0.00 C ATOM 1229 CZ TYR A 77 0.148 17.320 -2.628 1.00 0.00 C ATOM 1230 OH TYR A 77 1.097 17.123 -3.604 1.00 0.00 O ATOM 0 H TYR A 77 -3.600 15.608 -1.115 1.00 0.00 H new ATOM 0 HA TYR A 77 -4.739 17.223 1.061 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -3.025 18.999 0.500 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -2.408 17.615 1.379 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -1.215 15.768 0.026 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -2.078 19.615 -1.590 1.00 0.00 H new ATOM 0 HE1 TYR A 77 0.480 15.416 -1.715 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -0.385 19.264 -3.332 1.00 0.00 H new ATOM 0 HH TYR A 77 1.135 17.910 -4.187 1.00 0.00 H new ATOM 1240 N LYS A 78 -4.384 17.703 -2.194 1.00 0.00 N ATOM 1241 CA LYS A 78 -5.022 18.293 -3.366 1.00 0.00 C ATOM 1242 C LYS A 78 -4.281 17.904 -4.641 1.00 0.00 C ATOM 1243 O LYS A 78 -3.236 17.254 -4.592 1.00 0.00 O ATOM 1244 CB LYS A 78 -5.072 19.817 -3.230 1.00 0.00 C ATOM 1245 CG LYS A 78 -6.484 20.380 -3.239 1.00 0.00 C ATOM 1246 CD LYS A 78 -6.717 21.326 -2.071 1.00 0.00 C ATOM 1247 CE LYS A 78 -8.186 21.377 -1.681 1.00 0.00 C ATOM 1248 NZ LYS A 78 -8.965 22.281 -2.570 1.00 0.00 N ATOM 0 H LYS A 78 -3.535 17.176 -2.397 1.00 0.00 H new ATOM 0 HA LYS A 78 -6.040 17.909 -3.430 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -4.579 20.107 -2.302 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -4.505 20.266 -4.046 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -6.660 20.908 -4.176 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -7.203 19.562 -3.194 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -6.123 21.003 -1.216 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -6.375 22.326 -2.337 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -8.608 20.373 -1.724 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -8.276 21.716 -0.649 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -9.961 22.288 -2.271 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -8.579 23.245 -2.510 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -8.900 21.943 -3.551 1.00 0.00 H new ATOM 1262 N VAL A 79 -4.830 18.305 -5.783 1.00 0.00 N ATOM 1263 CA VAL A 79 -4.221 17.999 -7.072 1.00 0.00 C ATOM 1264 C VAL A 79 -2.847 18.649 -7.199 1.00 0.00 C ATOM 1265 O VAL A 79 -2.421 19.398 -6.321 1.00 0.00 O ATOM 1266 CB VAL A 79 -5.108 18.473 -8.239 1.00 0.00 C ATOM 1267 CG1 VAL A 79 -6.375 17.635 -8.321 1.00 0.00 C ATOM 1268 CG2 VAL A 79 -5.446 19.949 -8.090 1.00 0.00 C ATOM 0 H VAL A 79 -5.695 18.842 -5.842 1.00 0.00 H new ATOM 0 HA VAL A 79 -4.115 16.915 -7.122 1.00 0.00 H new ATOM 0 HB VAL A 79 -4.553 18.344 -9.168 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -6.989 17.984 -9.151 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -6.110 16.590 -8.480 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -6.935 17.730 -7.391 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -6.073 20.265 -8.924 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -5.981 20.107 -7.154 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -4.526 20.534 -8.086 1.00 0.00 H new ATOM 1278 N ILE A 80 -2.159 18.356 -8.297 1.00 0.00 N ATOM 1279 CA ILE A 80 -0.833 18.911 -8.538 1.00 0.00 C ATOM 1280 C ILE A 80 -0.761 19.585 -9.905 1.00 0.00 C ATOM 1281 O ILE A 80 -0.417 18.952 -10.903 1.00 0.00 O ATOM 1282 CB ILE A 80 0.256 17.825 -8.457 1.00 0.00 C ATOM 1283 CG1 ILE A 80 0.083 16.994 -7.184 1.00 0.00 C ATOM 1284 CG2 ILE A 80 1.639 18.458 -8.500 1.00 0.00 C ATOM 1285 CD1 ILE A 80 -0.905 15.858 -7.333 1.00 0.00 C ATOM 0 H ILE A 80 -2.498 17.737 -9.034 1.00 0.00 H new ATOM 0 HA ILE A 80 -0.654 19.652 -7.759 1.00 0.00 H new ATOM 0 HB ILE A 80 0.154 17.163 -9.317 1.00 0.00 H new ATOM 0 HG12 ILE A 80 1.051 16.587 -6.891 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -0.246 17.647 -6.376 1.00 0.00 H new ATOM 0 HG21 ILE A 80 2.398 17.678 -8.442 1.00 0.00 H new ATOM 0 HG22 ILE A 80 1.757 19.011 -9.432 1.00 0.00 H new ATOM 0 HG23 ILE A 80 1.754 19.139 -7.657 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -0.977 15.312 -6.392 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -1.884 16.259 -7.595 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -0.567 15.183 -8.119 1.00 0.00 H new ATOM 1297 N GLN A 81 -1.087 20.874 -9.942 1.00 0.00 N ATOM 1298 CA GLN A 81 -1.060 21.633 -11.186 1.00 0.00 C ATOM 1299 C GLN A 81 0.370 22.013 -11.560 1.00 0.00 C ATOM 1300 O GLN A 81 1.307 21.764 -10.803 1.00 0.00 O ATOM 1301 CB GLN A 81 -1.918 22.894 -11.056 1.00 0.00 C ATOM 1302 CG GLN A 81 -3.411 22.614 -11.042 1.00 0.00 C ATOM 1303 CD GLN A 81 -3.896 21.969 -12.325 1.00 0.00 C ATOM 1304 OE1 GLN A 81 -3.314 22.168 -13.392 1.00 0.00 O ATOM 1305 NE2 GLN A 81 -4.969 21.191 -12.229 1.00 0.00 N ATOM 0 H GLN A 81 -1.373 21.413 -9.125 1.00 0.00 H new ATOM 0 HA GLN A 81 -1.468 21.003 -11.977 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -1.646 23.416 -10.138 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -1.690 23.565 -11.884 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -3.647 21.962 -10.201 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -3.950 23.548 -10.883 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -5.420 21.054 -11.325 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -5.341 20.731 -13.060 1.00 0.00 H new ATOM 1314 N GLN A 82 0.527 22.615 -12.735 1.00 0.00 N ATOM 1315 CA GLN A 82 1.843 23.028 -13.211 1.00 0.00 C ATOM 1316 C GLN A 82 2.071 24.514 -12.959 1.00 0.00 C ATOM 1317 O GLN A 82 2.758 25.188 -13.729 1.00 0.00 O ATOM 1318 CB GLN A 82 1.986 22.726 -14.704 1.00 0.00 C ATOM 1319 CG GLN A 82 1.858 21.247 -15.040 1.00 0.00 C ATOM 1320 CD GLN A 82 0.665 20.954 -15.928 1.00 0.00 C ATOM 1321 OE1 GLN A 82 0.811 20.732 -17.130 1.00 0.00 O ATOM 1322 NE2 GLN A 82 -0.525 20.949 -15.338 1.00 0.00 N ATOM 0 H GLN A 82 -0.239 22.827 -13.374 1.00 0.00 H new ATOM 0 HA GLN A 82 2.595 22.464 -12.659 1.00 0.00 H new ATOM 0 HB2 GLN A 82 1.226 23.282 -15.253 1.00 0.00 H new ATOM 0 HB3 GLN A 82 2.956 23.086 -15.048 1.00 0.00 H new ATOM 0 HG2 GLN A 82 2.768 20.911 -15.537 1.00 0.00 H new ATOM 0 HG3 GLN A 82 1.769 20.674 -14.117 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -0.599 21.138 -14.339 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -1.364 20.756 -15.884 1.00 0.00 H new ATOM 1331 N GLN A 83 1.492 25.023 -11.875 1.00 0.00 N ATOM 1332 CA GLN A 83 1.634 26.431 -11.521 1.00 0.00 C ATOM 1333 C GLN A 83 1.910 26.591 -10.029 1.00 0.00 C ATOM 1334 O GLN A 83 0.987 26.576 -9.213 1.00 0.00 O ATOM 1335 CB GLN A 83 0.373 27.205 -11.908 1.00 0.00 C ATOM 1336 CG GLN A 83 0.660 28.572 -12.511 1.00 0.00 C ATOM 1337 CD GLN A 83 0.709 29.671 -11.468 1.00 0.00 C ATOM 1338 OE1 GLN A 83 -0.265 29.909 -10.754 1.00 0.00 O ATOM 1339 NE2 GLN A 83 1.848 30.347 -11.375 1.00 0.00 N ATOM 0 H GLN A 83 0.920 24.481 -11.227 1.00 0.00 H new ATOM 0 HA GLN A 83 2.482 26.836 -12.073 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -0.201 26.615 -12.623 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -0.252 27.331 -11.024 1.00 0.00 H new ATOM 0 HG2 GLN A 83 1.611 28.538 -13.043 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -0.108 28.809 -13.247 1.00 0.00 H new ATOM 0 HE21 GLN A 83 2.630 30.115 -11.988 1.00 0.00 H new ATOM 0 HE22 GLN A 83 1.941 31.098 -10.691 1.00 0.00 H new ATOM 1348 N GLY A 84 3.183 26.746 -9.680 1.00 0.00 N ATOM 1349 CA GLY A 84 3.557 26.907 -8.287 1.00 0.00 C ATOM 1350 C GLY A 84 4.397 28.148 -8.052 1.00 0.00 C ATOM 1351 O GLY A 84 4.861 28.780 -9.000 1.00 0.00 O ATOM 0 H GLY A 84 3.963 26.763 -10.337 1.00 0.00 H new ATOM 0 HA2 GLY A 84 2.656 26.961 -7.676 1.00 0.00 H new ATOM 0 HA3 GLY A 84 4.113 26.028 -7.959 1.00 0.00 H new ATOM 1355 N TYR A 85 4.595 28.495 -6.785 1.00 0.00 N ATOM 1356 CA TYR A 85 5.385 29.668 -6.427 1.00 0.00 C ATOM 1357 C TYR A 85 6.837 29.496 -6.857 1.00 0.00 C ATOM 1358 O TYR A 85 7.325 30.209 -7.733 1.00 0.00 O ATOM 1359 CB TYR A 85 5.312 29.915 -4.919 1.00 0.00 C ATOM 1360 CG TYR A 85 5.627 31.341 -4.525 1.00 0.00 C ATOM 1361 CD1 TYR A 85 6.942 31.776 -4.414 1.00 0.00 C ATOM 1362 CD2 TYR A 85 4.610 32.249 -4.263 1.00 0.00 C ATOM 1363 CE1 TYR A 85 7.234 33.078 -4.052 1.00 0.00 C ATOM 1364 CE2 TYR A 85 4.893 33.553 -3.902 1.00 0.00 C ATOM 1365 CZ TYR A 85 6.206 33.962 -3.798 1.00 0.00 C ATOM 1366 OH TYR A 85 6.492 35.259 -3.438 1.00 0.00 O ATOM 0 H TYR A 85 4.219 27.981 -5.988 1.00 0.00 H new ATOM 0 HA TYR A 85 4.970 30.530 -6.950 1.00 0.00 H new ATOM 0 HB2 TYR A 85 4.313 29.661 -4.565 1.00 0.00 H new ATOM 0 HB3 TYR A 85 6.008 29.245 -4.415 1.00 0.00 H new ATOM 0 HD1 TYR A 85 7.749 31.086 -4.614 1.00 0.00 H new ATOM 0 HD2 TYR A 85 3.581 31.931 -4.343 1.00 0.00 H new ATOM 0 HE1 TYR A 85 8.261 33.401 -3.969 1.00 0.00 H new ATOM 0 HE2 TYR A 85 4.090 34.248 -3.703 1.00 0.00 H new ATOM 0 HH TYR A 85 5.656 35.751 -3.296 1.00 0.00 H new ATOM 1376 N ARG A 86 7.525 28.545 -6.234 1.00 0.00 N ATOM 1377 CA ARG A 86 8.924 28.279 -6.551 1.00 0.00 C ATOM 1378 C ARG A 86 9.261 26.809 -6.333 1.00 0.00 C ATOM 1379 O ARG A 86 9.477 26.371 -5.202 1.00 0.00 O ATOM 1380 CB ARG A 86 9.837 29.156 -5.694 1.00 0.00 C ATOM 1381 CG ARG A 86 10.146 30.507 -6.318 1.00 0.00 C ATOM 1382 CD ARG A 86 10.568 31.522 -5.269 1.00 0.00 C ATOM 1383 NE ARG A 86 11.295 32.645 -5.856 1.00 0.00 N ATOM 1384 CZ ARG A 86 10.712 33.639 -6.521 1.00 0.00 C ATOM 1385 NH1 ARG A 86 9.394 33.653 -6.688 1.00 0.00 N ATOM 1386 NH2 ARG A 86 11.447 34.621 -7.022 1.00 0.00 N ATOM 0 H ARG A 86 7.137 27.945 -5.506 1.00 0.00 H new ATOM 0 HA ARG A 86 9.084 28.517 -7.602 1.00 0.00 H new ATOM 0 HB2 ARG A 86 9.368 29.313 -4.722 1.00 0.00 H new ATOM 0 HB3 ARG A 86 10.772 28.626 -5.515 1.00 0.00 H new ATOM 0 HG2 ARG A 86 10.939 30.395 -7.057 1.00 0.00 H new ATOM 0 HG3 ARG A 86 9.267 30.874 -6.848 1.00 0.00 H new ATOM 0 HD2 ARG A 86 9.685 31.894 -4.748 1.00 0.00 H new ATOM 0 HD3 ARG A 86 11.196 31.034 -4.524 1.00 0.00 H new ATOM 0 HE ARG A 86 12.309 32.668 -5.750 1.00 0.00 H new ATOM 0 HH11 ARG A 86 8.823 32.899 -6.305 1.00 0.00 H new ATOM 0 HH12 ARG A 86 8.953 34.418 -7.199 1.00 0.00 H new ATOM 0 HH21 ARG A 86 12.459 34.615 -6.898 1.00 0.00 H new ATOM 0 HH22 ARG A 86 11.000 35.383 -7.532 1.00 0.00 H new ATOM 1400 N GLY A 87 9.302 26.047 -7.422 1.00 0.00 N ATOM 1401 CA GLY A 87 9.613 24.633 -7.327 1.00 0.00 C ATOM 1402 C GLY A 87 10.269 24.096 -8.584 1.00 0.00 C ATOM 1403 O GLY A 87 9.735 24.247 -9.683 1.00 0.00 O ATOM 0 H GLY A 87 9.125 26.384 -8.368 1.00 0.00 H new ATOM 0 HA2 GLY A 87 10.274 24.466 -6.477 1.00 0.00 H new ATOM 0 HA3 GLY A 87 8.697 24.075 -7.133 1.00 0.00 H new ATOM 1407 N LYS A 88 11.428 23.465 -8.422 1.00 0.00 N ATOM 1408 CA LYS A 88 12.156 22.903 -9.554 1.00 0.00 C ATOM 1409 C LYS A 88 12.519 23.989 -10.562 1.00 0.00 C ATOM 1410 O LYS A 88 12.574 23.740 -11.766 1.00 0.00 O ATOM 1411 CB LYS A 88 11.319 21.817 -10.235 1.00 0.00 C ATOM 1412 CG LYS A 88 12.132 20.606 -10.665 1.00 0.00 C ATOM 1413 CD LYS A 88 11.241 19.399 -10.914 1.00 0.00 C ATOM 1414 CE LYS A 88 12.013 18.263 -11.564 1.00 0.00 C ATOM 1415 NZ LYS A 88 11.345 16.948 -11.356 1.00 0.00 N ATOM 0 H LYS A 88 11.883 23.330 -7.519 1.00 0.00 H new ATOM 0 HA LYS A 88 13.078 22.460 -9.178 1.00 0.00 H new ATOM 0 HB2 LYS A 88 10.533 21.494 -9.553 1.00 0.00 H new ATOM 0 HB3 LYS A 88 10.827 22.243 -11.109 1.00 0.00 H new ATOM 0 HG2 LYS A 88 12.688 20.843 -11.572 1.00 0.00 H new ATOM 0 HG3 LYS A 88 12.865 20.366 -9.895 1.00 0.00 H new ATOM 0 HD2 LYS A 88 10.816 19.058 -9.970 1.00 0.00 H new ATOM 0 HD3 LYS A 88 10.407 19.687 -11.554 1.00 0.00 H new ATOM 0 HE2 LYS A 88 12.111 18.455 -12.632 1.00 0.00 H new ATOM 0 HE3 LYS A 88 13.022 18.227 -11.152 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 11.902 16.199 -11.814 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 11.274 16.752 -10.337 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 10.392 16.973 -11.771 1.00 0.00 H new ATOM 1429 N ASN A 89 12.769 25.194 -10.060 1.00 0.00 N ATOM 1430 CA ASN A 89 13.129 26.318 -10.917 1.00 0.00 C ATOM 1431 C ASN A 89 14.634 26.364 -11.151 1.00 0.00 C ATOM 1432 O ASN A 89 15.413 26.573 -10.222 1.00 0.00 O ATOM 1433 CB ASN A 89 12.659 27.634 -10.291 1.00 0.00 C ATOM 1434 CG ASN A 89 13.302 27.896 -8.943 1.00 0.00 C ATOM 1435 OD1 ASN A 89 12.805 27.450 -7.909 1.00 0.00 O ATOM 1436 ND2 ASN A 89 14.413 28.622 -8.948 1.00 0.00 N ATOM 0 H ASN A 89 12.729 25.417 -9.065 1.00 0.00 H new ATOM 0 HA ASN A 89 12.634 26.182 -11.879 1.00 0.00 H new ATOM 0 HB2 ASN A 89 12.890 28.457 -10.967 1.00 0.00 H new ATOM 0 HB3 ASN A 89 11.575 27.611 -10.175 1.00 0.00 H new ATOM 0 HD21 ASN A 89 14.890 28.830 -8.071 1.00 0.00 H new ATOM 0 HD22 ASN A 89 14.790 28.972 -9.829 1.00 0.00 H new ATOM 1443 N SER A 90 15.039 26.165 -12.401 1.00 0.00 N ATOM 1444 CA SER A 90 16.451 26.182 -12.760 1.00 0.00 C ATOM 1445 C SER A 90 16.701 27.111 -13.943 1.00 0.00 C ATOM 1446 O SER A 90 16.527 26.721 -15.098 1.00 0.00 O ATOM 1447 CB SER A 90 16.931 24.768 -13.097 1.00 0.00 C ATOM 1448 OG SER A 90 16.557 23.849 -12.086 1.00 0.00 O ATOM 0 H SER A 90 14.408 25.990 -13.183 1.00 0.00 H new ATOM 0 HA SER A 90 17.013 26.555 -11.903 1.00 0.00 H new ATOM 0 HB2 SER A 90 16.509 24.455 -14.052 1.00 0.00 H new ATOM 0 HB3 SER A 90 18.015 24.766 -13.212 1.00 0.00 H new ATOM 0 HG SER A 90 16.873 22.953 -12.325 1.00 0.00 H new ATOM 1454 N VAL A 91 17.110 28.340 -13.649 1.00 0.00 N ATOM 1455 CA VAL A 91 17.381 29.325 -14.688 1.00 0.00 C ATOM 1456 C VAL A 91 18.344 30.398 -14.191 1.00 0.00 C ATOM 1457 O VAL A 91 18.172 30.945 -13.102 1.00 0.00 O ATOM 1458 CB VAL A 91 16.085 30.001 -15.175 1.00 0.00 C ATOM 1459 CG1 VAL A 91 15.188 28.993 -15.877 1.00 0.00 C ATOM 1460 CG2 VAL A 91 15.356 30.658 -14.013 1.00 0.00 C ATOM 0 H VAL A 91 17.261 28.678 -12.698 1.00 0.00 H new ATOM 0 HA VAL A 91 17.837 28.788 -15.520 1.00 0.00 H new ATOM 0 HB VAL A 91 16.349 30.778 -15.893 1.00 0.00 H new ATOM 0 HG11 VAL A 91 14.278 29.489 -16.214 1.00 0.00 H new ATOM 0 HG12 VAL A 91 15.713 28.575 -16.736 1.00 0.00 H new ATOM 0 HG13 VAL A 91 14.930 28.192 -15.185 1.00 0.00 H new ATOM 0 HG21 VAL A 91 14.443 31.130 -14.376 1.00 0.00 H new ATOM 0 HG22 VAL A 91 15.102 29.903 -13.269 1.00 0.00 H new ATOM 0 HG23 VAL A 91 15.999 31.412 -13.560 1.00 0.00 H new ATOM 1470 N ALA A 92 19.359 30.697 -14.997 1.00 0.00 N ATOM 1471 CA ALA A 92 20.348 31.705 -14.638 1.00 0.00 C ATOM 1472 C ALA A 92 20.566 32.691 -15.781 1.00 0.00 C ATOM 1473 O ALA A 92 21.669 33.206 -15.968 1.00 0.00 O ATOM 1474 CB ALA A 92 21.661 31.042 -14.253 1.00 0.00 C ATOM 0 H ALA A 92 19.517 30.255 -15.903 1.00 0.00 H new ATOM 0 HA ALA A 92 19.969 32.261 -13.780 1.00 0.00 H new ATOM 0 HB1 ALA A 92 22.391 31.807 -13.987 1.00 0.00 H new ATOM 0 HB2 ALA A 92 21.499 30.383 -13.400 1.00 0.00 H new ATOM 0 HB3 ALA A 92 22.036 30.460 -15.095 1.00 0.00 H new ATOM 1480 N ALA A 93 19.507 32.952 -16.540 1.00 0.00 N ATOM 1481 CA ALA A 93 19.579 33.877 -17.664 1.00 0.00 C ATOM 1482 C ALA A 93 18.329 34.745 -17.738 1.00 0.00 C ATOM 1483 O ALA A 93 17.358 34.396 -18.410 1.00 0.00 O ATOM 1484 CB ALA A 93 19.773 33.114 -18.965 1.00 0.00 C ATOM 0 H ALA A 93 18.587 32.535 -16.396 1.00 0.00 H new ATOM 0 HA ALA A 93 20.437 34.532 -17.510 1.00 0.00 H new ATOM 0 HB1 ALA A 93 19.825 33.818 -19.795 1.00 0.00 H new ATOM 0 HB2 ALA A 93 20.699 32.541 -18.916 1.00 0.00 H new ATOM 0 HB3 ALA A 93 18.934 32.435 -19.117 1.00 0.00 H new ATOM 1490 N ARG A 94 18.357 35.875 -17.040 1.00 0.00 N ATOM 1491 CA ARG A 94 17.224 36.794 -17.023 1.00 0.00 C ATOM 1492 C ARG A 94 17.429 37.940 -18.009 1.00 0.00 C ATOM 1493 O ARG A 94 16.947 39.052 -17.791 1.00 0.00 O ATOM 1494 CB ARG A 94 17.019 37.351 -15.611 1.00 0.00 C ATOM 1495 CG ARG A 94 16.060 36.531 -14.765 1.00 0.00 C ATOM 1496 CD ARG A 94 16.476 36.522 -13.304 1.00 0.00 C ATOM 1497 NE ARG A 94 15.852 35.428 -12.562 1.00 0.00 N ATOM 1498 CZ ARG A 94 16.168 35.107 -11.311 1.00 0.00 C ATOM 1499 NH1 ARG A 94 17.097 35.791 -10.656 1.00 0.00 N ATOM 1500 NH2 ARG A 94 15.551 34.098 -10.710 1.00 0.00 N ATOM 0 H ARG A 94 19.153 36.177 -16.478 1.00 0.00 H new ATOM 0 HA ARG A 94 16.335 36.240 -17.325 1.00 0.00 H new ATOM 0 HB2 ARG A 94 17.984 37.401 -15.106 1.00 0.00 H new ATOM 0 HB3 ARG A 94 16.644 38.372 -15.683 1.00 0.00 H new ATOM 0 HG2 ARG A 94 15.053 36.939 -14.855 1.00 0.00 H new ATOM 0 HG3 ARG A 94 16.025 35.508 -15.141 1.00 0.00 H new ATOM 0 HD2 ARG A 94 17.560 36.433 -13.237 1.00 0.00 H new ATOM 0 HD3 ARG A 94 16.205 37.472 -12.844 1.00 0.00 H new ATOM 0 HE ARG A 94 15.132 34.879 -13.031 1.00 0.00 H new ATOM 0 HH11 ARG A 94 17.574 36.569 -11.112 1.00 0.00 H new ATOM 0 HH12 ARG A 94 17.334 35.539 -9.696 1.00 0.00 H new ATOM 0 HH21 ARG A 94 14.835 33.569 -11.208 1.00 0.00 H new ATOM 0 HH22 ARG A 94 15.793 33.851 -9.750 1.00 0.00 H new ATOM 1514 N SER A 95 18.147 37.663 -19.094 1.00 0.00 N ATOM 1515 CA SER A 95 18.412 38.676 -20.112 1.00 0.00 C ATOM 1516 C SER A 95 17.935 38.208 -21.486 1.00 0.00 C ATOM 1517 O SER A 95 17.933 37.012 -21.777 1.00 0.00 O ATOM 1518 CB SER A 95 19.907 39.000 -20.160 1.00 0.00 C ATOM 1519 OG SER A 95 20.205 39.879 -21.230 1.00 0.00 O ATOM 0 H SER A 95 18.555 36.749 -19.291 1.00 0.00 H new ATOM 0 HA SER A 95 17.860 39.577 -19.845 1.00 0.00 H new ATOM 0 HB2 SER A 95 20.214 39.453 -19.217 1.00 0.00 H new ATOM 0 HB3 SER A 95 20.478 38.079 -20.273 1.00 0.00 H new ATOM 0 HG SER A 95 21.166 40.071 -21.237 1.00 0.00 H new ATOM 1525 N PRO A 96 17.522 39.152 -22.351 1.00 0.00 N ATOM 1526 CA PRO A 96 17.040 38.831 -23.700 1.00 0.00 C ATOM 1527 C PRO A 96 18.019 37.953 -24.472 1.00 0.00 C ATOM 1528 O PRO A 96 19.188 37.835 -24.104 1.00 0.00 O ATOM 1529 CB PRO A 96 16.912 40.202 -24.367 1.00 0.00 C ATOM 1530 CG PRO A 96 16.706 41.154 -23.240 1.00 0.00 C ATOM 1531 CD PRO A 96 17.492 40.602 -22.083 1.00 0.00 C ATOM 0 HA PRO A 96 16.109 38.265 -23.676 1.00 0.00 H new ATOM 0 HB2 PRO A 96 17.808 40.450 -24.936 1.00 0.00 H new ATOM 0 HB3 PRO A 96 16.074 40.226 -25.064 1.00 0.00 H new ATOM 0 HG2 PRO A 96 17.051 42.153 -23.505 1.00 0.00 H new ATOM 0 HG3 PRO A 96 15.649 41.238 -22.989 1.00 0.00 H new ATOM 0 HD2 PRO A 96 18.496 41.024 -22.042 1.00 0.00 H new ATOM 0 HD3 PRO A 96 17.013 40.825 -21.129 1.00 0.00 H new ATOM 1539 N GLU A 97 17.534 37.338 -25.547 1.00 0.00 N ATOM 1540 CA GLU A 97 18.365 36.472 -26.374 1.00 0.00 C ATOM 1541 C GLU A 97 19.218 37.293 -27.336 1.00 0.00 C ATOM 1542 O GLU A 97 18.709 37.852 -28.309 1.00 0.00 O ATOM 1543 CB GLU A 97 17.493 35.491 -27.158 1.00 0.00 C ATOM 1544 CG GLU A 97 16.467 36.169 -28.053 1.00 0.00 C ATOM 1545 CD GLU A 97 16.745 35.955 -29.528 1.00 0.00 C ATOM 1546 OE1 GLU A 97 17.224 34.859 -29.889 1.00 0.00 O ATOM 1547 OE2 GLU A 97 16.484 36.881 -30.323 1.00 0.00 O ATOM 0 H GLU A 97 16.569 37.424 -25.865 1.00 0.00 H new ATOM 0 HA GLU A 97 19.029 35.911 -25.716 1.00 0.00 H new ATOM 0 HB2 GLU A 97 18.134 34.857 -27.770 1.00 0.00 H new ATOM 0 HB3 GLU A 97 16.975 34.837 -26.456 1.00 0.00 H new ATOM 0 HG2 GLU A 97 15.474 35.787 -27.815 1.00 0.00 H new ATOM 0 HG3 GLU A 97 16.456 37.238 -27.841 1.00 0.00 H new ATOM 1554 N LYS A 98 20.516 37.362 -27.059 1.00 0.00 N ATOM 1555 CA LYS A 98 21.437 38.115 -27.901 1.00 0.00 C ATOM 1556 C LYS A 98 22.844 37.530 -27.833 1.00 0.00 C ATOM 1557 O LYS A 98 23.208 36.878 -26.853 1.00 0.00 O ATOM 1558 CB LYS A 98 21.463 39.585 -27.478 1.00 0.00 C ATOM 1559 CG LYS A 98 21.592 40.552 -28.644 1.00 0.00 C ATOM 1560 CD LYS A 98 20.314 40.608 -29.467 1.00 0.00 C ATOM 1561 CE LYS A 98 19.545 41.895 -29.214 1.00 0.00 C ATOM 1562 NZ LYS A 98 20.177 43.063 -29.887 1.00 0.00 N ATOM 0 H LYS A 98 20.953 36.906 -26.258 1.00 0.00 H new ATOM 0 HA LYS A 98 21.085 38.046 -28.930 1.00 0.00 H new ATOM 0 HB2 LYS A 98 20.550 39.812 -26.928 1.00 0.00 H new ATOM 0 HB3 LYS A 98 22.296 39.742 -26.793 1.00 0.00 H new ATOM 0 HG2 LYS A 98 21.827 41.548 -28.268 1.00 0.00 H new ATOM 0 HG3 LYS A 98 22.423 40.247 -29.281 1.00 0.00 H new ATOM 0 HD2 LYS A 98 20.558 40.531 -30.526 1.00 0.00 H new ATOM 0 HD3 LYS A 98 19.684 39.753 -29.222 1.00 0.00 H new ATOM 0 HE2 LYS A 98 18.521 41.782 -29.570 1.00 0.00 H new ATOM 0 HE3 LYS A 98 19.491 42.080 -28.141 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 19.622 43.920 -29.689 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 21.145 43.188 -29.529 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 20.206 42.898 -30.913 1.00 0.00 H new ATOM 1576 N ALA A 99 23.629 37.765 -28.878 1.00 0.00 N ATOM 1577 CA ALA A 99 24.995 37.262 -28.938 1.00 0.00 C ATOM 1578 C ALA A 99 25.894 37.993 -27.946 1.00 0.00 C ATOM 1579 O ALA A 99 26.259 39.149 -28.160 1.00 0.00 O ATOM 1580 CB ALA A 99 25.544 37.396 -30.351 1.00 0.00 C ATOM 0 H ALA A 99 23.342 38.302 -29.696 1.00 0.00 H new ATOM 0 HA ALA A 99 24.981 36.207 -28.664 1.00 0.00 H new ATOM 0 HB1 ALA A 99 26.565 37.017 -30.382 1.00 0.00 H new ATOM 0 HB2 ALA A 99 24.923 36.822 -31.039 1.00 0.00 H new ATOM 0 HB3 ALA A 99 25.538 38.445 -30.646 1.00 0.00 H new ATOM 1586 N SER A 100 26.246 37.311 -26.862 1.00 0.00 N ATOM 1587 CA SER A 100 27.105 37.896 -25.836 1.00 0.00 C ATOM 1588 C SER A 100 28.501 37.285 -25.884 1.00 0.00 C ATOM 1589 O SER A 100 29.502 38.001 -25.912 1.00 0.00 O ATOM 1590 CB SER A 100 26.492 37.688 -24.448 1.00 0.00 C ATOM 1591 OG SER A 100 25.680 36.527 -24.418 1.00 0.00 O ATOM 0 H SER A 100 25.951 36.354 -26.670 1.00 0.00 H new ATOM 0 HA SER A 100 27.188 38.965 -26.032 1.00 0.00 H new ATOM 0 HB2 SER A 100 27.286 37.600 -23.706 1.00 0.00 H new ATOM 0 HB3 SER A 100 25.896 38.559 -24.176 1.00 0.00 H new ATOM 0 HG SER A 100 25.302 36.415 -23.521 1.00 0.00 H new ATOM 1597 N ASN A 101 28.560 35.957 -25.893 1.00 0.00 N ATOM 1598 CA ASN A 101 29.834 35.250 -25.938 1.00 0.00 C ATOM 1599 C ASN A 101 30.241 34.954 -27.377 1.00 0.00 C ATOM 1600 O ASN A 101 29.401 34.626 -28.215 1.00 0.00 O ATOM 1601 CB ASN A 101 29.744 33.944 -25.143 1.00 0.00 C ATOM 1602 CG ASN A 101 28.551 33.103 -25.548 1.00 0.00 C ATOM 1603 OD1 ASN A 101 27.423 33.362 -25.130 1.00 0.00 O ATOM 1604 ND2 ASN A 101 28.794 32.086 -26.368 1.00 0.00 N ATOM 0 H ASN A 101 27.741 35.350 -25.870 1.00 0.00 H new ATOM 0 HA ASN A 101 30.593 35.891 -25.489 1.00 0.00 H new ATOM 0 HB2 ASN A 101 30.658 33.368 -25.290 1.00 0.00 H new ATOM 0 HB3 ASN A 101 29.680 34.173 -24.079 1.00 0.00 H new ATOM 0 HD21 ASN A 101 28.030 31.484 -26.675 1.00 0.00 H new ATOM 0 HD22 ASN A 101 29.745 31.907 -26.691 1.00 0.00 H new ATOM 1611 N MET A 102 31.535 35.074 -27.658 1.00 0.00 N ATOM 1612 CA MET A 102 32.053 34.822 -28.997 1.00 0.00 C ATOM 1613 C MET A 102 32.749 33.465 -29.063 1.00 0.00 C ATOM 1614 O MET A 102 33.059 32.864 -28.034 1.00 0.00 O ATOM 1615 CB MET A 102 33.025 35.928 -29.409 1.00 0.00 C ATOM 1616 CG MET A 102 32.912 36.320 -30.874 1.00 0.00 C ATOM 1617 SD MET A 102 32.860 38.107 -31.116 1.00 0.00 S ATOM 1618 CE MET A 102 31.333 38.517 -30.275 1.00 0.00 C ATOM 0 H MET A 102 32.243 35.344 -26.976 1.00 0.00 H new ATOM 0 HA MET A 102 31.211 34.814 -29.690 1.00 0.00 H new ATOM 0 HB2 MET A 102 32.845 36.808 -28.791 1.00 0.00 H new ATOM 0 HB3 MET A 102 34.044 35.599 -29.207 1.00 0.00 H new ATOM 0 HG2 MET A 102 33.759 35.908 -31.422 1.00 0.00 H new ATOM 0 HG3 MET A 102 32.012 35.874 -31.297 1.00 0.00 H new ATOM 0 HE1 MET A 102 30.812 39.299 -30.827 1.00 0.00 H new ATOM 0 HE2 MET A 102 30.701 37.631 -30.216 1.00 0.00 H new ATOM 0 HE3 MET A 102 31.556 38.871 -29.268 1.00 0.00 H new ATOM 1628 N GLU A 103 32.991 32.988 -30.281 1.00 0.00 N ATOM 1629 CA GLU A 103 33.649 31.702 -30.480 1.00 0.00 C ATOM 1630 C GLU A 103 34.217 31.596 -31.893 1.00 0.00 C ATOM 1631 O GLU A 103 33.871 30.687 -32.647 1.00 0.00 O ATOM 1632 CB GLU A 103 32.667 30.559 -30.222 1.00 0.00 C ATOM 1633 CG GLU A 103 33.328 29.193 -30.150 1.00 0.00 C ATOM 1634 CD GLU A 103 34.440 29.138 -29.122 1.00 0.00 C ATOM 1635 OE1 GLU A 103 35.560 29.596 -29.432 1.00 0.00 O ATOM 1636 OE2 GLU A 103 34.193 28.637 -28.004 1.00 0.00 O ATOM 0 H GLU A 103 32.741 33.472 -31.143 1.00 0.00 H new ATOM 0 HA GLU A 103 34.474 31.628 -29.771 1.00 0.00 H new ATOM 0 HB2 GLU A 103 32.140 30.748 -29.287 1.00 0.00 H new ATOM 0 HB3 GLU A 103 31.918 30.549 -31.014 1.00 0.00 H new ATOM 0 HG2 GLU A 103 32.576 28.442 -29.907 1.00 0.00 H new ATOM 0 HG3 GLU A 103 33.731 28.936 -31.130 1.00 0.00 H new ATOM 1643 N ASN A 104 35.091 32.532 -32.245 1.00 0.00 N ATOM 1644 CA ASN A 104 35.709 32.545 -33.567 1.00 0.00 C ATOM 1645 C ASN A 104 34.653 32.675 -34.659 1.00 0.00 C ATOM 1646 O ASN A 104 33.459 32.523 -34.403 1.00 0.00 O ATOM 1647 CB ASN A 104 36.527 31.271 -33.783 1.00 0.00 C ATOM 1648 CG ASN A 104 37.705 31.170 -32.831 1.00 0.00 C ATOM 1649 OD1 ASN A 104 38.785 31.696 -33.104 1.00 0.00 O ATOM 1650 ND2 ASN A 104 37.501 30.495 -31.706 1.00 0.00 N ATOM 0 H ASN A 104 35.388 33.292 -31.634 1.00 0.00 H new ATOM 0 HA ASN A 104 36.372 33.408 -33.622 1.00 0.00 H new ATOM 0 HB2 ASN A 104 35.882 30.402 -33.652 1.00 0.00 H new ATOM 0 HB3 ASN A 104 36.891 31.246 -34.810 1.00 0.00 H new ATOM 0 HD21 ASN A 104 38.255 30.396 -31.027 1.00 0.00 H new ATOM 0 HD22 ASN A 104 36.590 30.076 -31.521 1.00 0.00 H new ATOM 1657 N ASN A 105 35.101 32.957 -35.878 1.00 0.00 N ATOM 1658 CA ASN A 105 34.194 33.108 -37.010 1.00 0.00 C ATOM 1659 C ASN A 105 33.205 34.242 -36.766 1.00 0.00 C ATOM 1660 O ASN A 105 32.060 34.187 -37.216 1.00 0.00 O ATOM 1661 CB ASN A 105 33.438 31.802 -37.263 1.00 0.00 C ATOM 1662 CG ASN A 105 34.174 30.885 -38.222 1.00 0.00 C ATOM 1663 OD1 ASN A 105 33.904 30.879 -39.422 1.00 0.00 O ATOM 1664 ND2 ASN A 105 35.110 30.104 -37.692 1.00 0.00 N ATOM 0 H ASN A 105 36.087 33.086 -36.107 1.00 0.00 H new ATOM 0 HA ASN A 105 34.789 33.351 -37.890 1.00 0.00 H new ATOM 0 HB2 ASN A 105 33.284 31.285 -36.316 1.00 0.00 H new ATOM 0 HB3 ASN A 105 32.451 32.029 -37.666 1.00 0.00 H new ATOM 0 HD21 ASN A 105 35.638 29.466 -38.287 1.00 0.00 H new ATOM 0 HD22 ASN A 105 35.300 30.143 -36.691 1.00 0.00 H new ATOM 1671 N GLU A 106 33.653 35.268 -36.050 1.00 0.00 N ATOM 1672 CA GLU A 106 32.806 36.415 -35.745 1.00 0.00 C ATOM 1673 C GLU A 106 33.488 37.718 -36.151 1.00 0.00 C ATOM 1674 O GLU A 106 32.837 38.538 -36.832 1.00 0.00 O ATOM 1675 CB GLU A 106 32.471 36.446 -34.253 1.00 0.00 C ATOM 1676 CG GLU A 106 31.058 36.922 -33.956 1.00 0.00 C ATOM 1677 CD GLU A 106 30.284 35.950 -33.086 1.00 0.00 C ATOM 1678 OE1 GLU A 106 30.391 34.728 -33.321 1.00 0.00 O ATOM 1679 OE2 GLU A 106 29.570 36.412 -32.171 1.00 0.00 O ATOM 1680 OXT GLU A 106 34.668 37.906 -35.787 1.00 0.00 O ATOM 0 H GLU A 106 34.598 35.329 -35.670 1.00 0.00 H new ATOM 0 HA GLU A 106 31.883 36.315 -36.316 1.00 0.00 H new ATOM 0 HB2 GLU A 106 32.603 35.447 -33.839 1.00 0.00 H new ATOM 0 HB3 GLU A 106 33.180 37.099 -33.744 1.00 0.00 H new ATOM 0 HG2 GLU A 106 31.102 37.892 -33.460 1.00 0.00 H new ATOM 0 HG3 GLU A 106 30.523 37.068 -34.895 1.00 0.00 H new TER 1687 GLU A 106