USER MOD reduce.3.24.130724 H: found=0, std=0, add=755, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 0 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 70 ASN : amide:sc= 1.52 K(o=2.7,f=-14!) USER MOD Set 1.2: A 73 LYS NZ :NH3+ -158:sc= 1.17 (180deg=-0.24) USER MOD Set 2.1: A 67 TYR OH : rot 180:sc= 0.806 USER MOD Set 2.2: A 78 THR OG1 : rot 176:sc= 0.765 USER MOD Set 3.1: A 63 ASN : amide:sc= 0.0527 K(o=0.097,f=-0.81) USER MOD Set 3.2: A 74 TYR OH : rot 75:sc= 0.0448 USER MOD Set 4.1: A 40 SER OG : rot 95:sc= 1.14 USER MOD Set 4.2: A 52 ASN : amide:sc= -0.372 K(o=0.76,f=-5.5!) USER MOD Set 5.1: A 19 THR OG1 : rot 131:sc= 1.06 USER MOD Set 5.2: A 31 ASN : amide:sc= 0.603 K(o=1.7,f=-1.4) USER MOD Set 6.1: A 1 GLY N :NH3+ -166:sc= 1.19 (180deg=0) USER MOD Set 6.2: A 96 THR OG1 : rot 73:sc= 2.13 USER MOD Single : A 2 SER OG : rot 160:sc= -0.0193 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ -132:sc= 2.37 (180deg=0.082) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0.0129 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot -74:sc= 1.16 USER MOD Single : A 14 CYS SG : rot -160:sc= -1.25 USER MOD Single : A 16 GLN : amide:sc= 0 K(o=0,f=-0.88) USER MOD Single : A 17 CYS SG : rot 180:sc= 0 USER MOD Single : A 18 HIS : no HE2:sc= 0.903 K(o=0.9,f=-4.1!) USER MOD Single : A 26 HIS : no HD1:sc= -0.518 K(o=-0.52,f=-1.7) USER MOD Single : A 27 LYS NZ :NH3+ -126:sc= 1.46 (180deg=0.931) USER MOD Single : A 33 HIS : no HD1:sc= -0.0961 X(o=-0.096,f=0) USER MOD Single : A 39 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 TYR OH : rot 30:sc= 1.23 USER MOD Single : A 47 SER OG : rot 60:sc= 0.157 USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot 179:sc= 2.13 USER MOD Single : A 54 LYS NZ :NH3+ -145:sc= 0.538 (180deg=-1.36!) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 ASN : amide:sc= 0.455 K(o=0.45,f=-0.49) USER MOD Single : A 62 ASN : amide:sc= -0.0149 K(o=-0.015,f=-1.3) USER MOD Single : A 64 MET CE :methyl 180:sc= -0.647 (180deg=-0.647) USER MOD Single : A 65 SER OG : rot 162:sc= 0.467 USER MOD Single : A 69 THR OG1 : rot 79:sc= 0.89 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 ASN : amide:sc= 0.621 K(o=0.62,f=-3.4) USER MOD Single : A 97 TYR OH : rot 150:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ -135:sc= 1.15 (180deg=0.857) USER MOD Single : A 100 LYS NZ :NH3+ -160:sc= -0.0752 (180deg=-0.506) USER MOD Single : A 102 SER OG : rot 15:sc= 0.981 USER MOD ----------------------------------------------------------------- ATOM 42 N GLY A 1 -3.187 2.549 -15.438 1.00 0.00 N ATOM 43 CA GLY A 1 -4.102 3.655 -15.638 1.00 0.00 C ATOM 44 C GLY A 1 -3.278 4.911 -15.909 1.00 0.00 C ATOM 45 O GLY A 1 -2.260 4.853 -16.598 1.00 0.00 O ATOM 0 H1 GLY A 1 -3.711 1.652 -15.488 1.00 0.00 H new ATOM 0 H2 GLY A 1 -2.456 2.565 -16.178 1.00 0.00 H new ATOM 0 H3 GLY A 1 -2.737 2.635 -14.505 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -4.769 3.450 -16.475 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -4.729 3.794 -14.757 1.00 0.00 H new ATOM 46 N SER A 2 -3.697 6.045 -15.352 1.00 0.00 N ATOM 47 CA SER A 2 -3.007 7.316 -15.489 1.00 0.00 C ATOM 48 C SER A 2 -2.123 7.585 -14.265 1.00 0.00 C ATOM 49 O SER A 2 -2.244 6.934 -13.232 1.00 0.00 O ATOM 50 CB SER A 2 -4.048 8.422 -15.686 1.00 0.00 C ATOM 51 OG SER A 2 -3.439 9.564 -16.265 1.00 0.00 O ATOM 0 H SER A 2 -4.542 6.102 -14.783 1.00 0.00 H new ATOM 0 HA SER A 2 -2.349 7.290 -16.358 1.00 0.00 H new ATOM 0 HB2 SER A 2 -4.853 8.065 -16.328 1.00 0.00 H new ATOM 0 HB3 SER A 2 -4.497 8.685 -14.728 1.00 0.00 H new ATOM 0 HG SER A 2 -4.126 10.127 -16.678 1.00 0.00 H new ATOM 52 N ALA A 3 -1.223 8.564 -14.399 1.00 0.00 N ATOM 53 CA ALA A 3 -0.425 9.078 -13.291 1.00 0.00 C ATOM 54 C ALA A 3 -1.253 10.097 -12.508 1.00 0.00 C ATOM 55 O ALA A 3 -1.324 10.056 -11.279 1.00 0.00 O ATOM 56 CB ALA A 3 0.855 9.719 -13.833 1.00 0.00 C ATOM 0 H ALA A 3 -1.029 9.023 -15.289 1.00 0.00 H new ATOM 0 HA ALA A 3 -0.145 8.264 -12.623 1.00 0.00 H new ATOM 0 HB1 ALA A 3 1.449 10.102 -13.004 1.00 0.00 H new ATOM 0 HB2 ALA A 3 1.432 8.973 -14.379 1.00 0.00 H new ATOM 0 HB3 ALA A 3 0.596 10.539 -14.503 1.00 0.00 H new ATOM 57 N LYS A 4 -1.900 11.015 -13.236 1.00 0.00 N ATOM 58 CA LYS A 4 -2.924 11.865 -12.652 1.00 0.00 C ATOM 59 C LYS A 4 -4.093 10.992 -12.193 1.00 0.00 C ATOM 60 O LYS A 4 -4.163 9.819 -12.554 1.00 0.00 O ATOM 61 CB LYS A 4 -3.387 12.939 -13.649 1.00 0.00 C ATOM 62 CG LYS A 4 -3.920 12.345 -14.962 1.00 0.00 C ATOM 63 CD LYS A 4 -4.692 13.393 -15.772 1.00 0.00 C ATOM 64 CE LYS A 4 -5.305 12.731 -17.016 1.00 0.00 C ATOM 65 NZ LYS A 4 -6.087 13.684 -17.832 1.00 0.00 N ATOM 0 H LYS A 4 -1.728 11.182 -14.227 1.00 0.00 H new ATOM 0 HA LYS A 4 -2.510 12.389 -11.791 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -4.167 13.545 -13.187 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -2.554 13.606 -13.870 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -3.089 11.963 -15.555 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -4.571 11.499 -14.743 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -5.477 13.836 -15.159 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -4.025 14.202 -16.069 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -4.510 12.302 -17.625 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -5.949 11.908 -16.707 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -6.480 13.191 -18.659 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -6.863 14.075 -17.261 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -5.469 14.457 -18.151 1.00 0.00 H new ATOM 66 N LYS A 5 -5.005 11.559 -11.398 1.00 0.00 N ATOM 67 CA LYS A 5 -6.161 10.894 -10.798 1.00 0.00 C ATOM 68 C LYS A 5 -5.692 9.980 -9.668 1.00 0.00 C ATOM 69 O LYS A 5 -6.113 10.143 -8.526 1.00 0.00 O ATOM 70 CB LYS A 5 -7.035 10.194 -11.858 1.00 0.00 C ATOM 71 CG LYS A 5 -8.316 9.556 -11.298 1.00 0.00 C ATOM 72 CD LYS A 5 -9.217 9.167 -12.481 1.00 0.00 C ATOM 73 CE LYS A 5 -10.450 8.332 -12.100 1.00 0.00 C ATOM 74 NZ LYS A 5 -10.105 6.990 -11.587 1.00 0.00 N ATOM 0 H LYS A 5 -4.952 12.545 -11.144 1.00 0.00 H new ATOM 0 HA LYS A 5 -6.822 11.638 -10.353 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -7.309 10.920 -12.624 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -6.443 9.422 -12.349 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -8.073 8.677 -10.701 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -8.833 10.255 -10.641 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -9.551 10.076 -12.981 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -8.624 8.606 -13.203 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -11.024 8.867 -11.344 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -11.094 8.226 -12.973 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -10.690 6.275 -12.064 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -9.100 6.795 -11.772 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -10.281 6.954 -10.563 1.00 0.00 H new ATOM 75 N GLY A 6 -4.765 9.073 -9.966 1.00 0.00 N ATOM 76 CA GLY A 6 -4.143 8.191 -8.993 1.00 0.00 C ATOM 77 C GLY A 6 -3.608 8.976 -7.795 1.00 0.00 C ATOM 78 O GLY A 6 -3.792 8.570 -6.649 1.00 0.00 O ATOM 0 H GLY A 6 -4.420 8.931 -10.915 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -4.869 7.453 -8.652 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -3.328 7.643 -9.465 1.00 0.00 H new ATOM 79 N ALA A 7 -2.992 10.133 -8.058 1.00 0.00 N ATOM 80 CA ALA A 7 -2.549 11.056 -7.024 1.00 0.00 C ATOM 81 C ALA A 7 -3.713 11.464 -6.121 1.00 0.00 C ATOM 82 O ALA A 7 -3.628 11.370 -4.900 1.00 0.00 O ATOM 83 CB ALA A 7 -1.906 12.283 -7.679 1.00 0.00 C ATOM 0 H ALA A 7 -2.788 10.452 -9.005 1.00 0.00 H new ATOM 0 HA ALA A 7 -1.809 10.560 -6.397 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -1.573 12.976 -6.906 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -1.051 11.970 -8.278 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -2.636 12.778 -8.320 1.00 0.00 H new ATOM 84 N THR A 8 -4.811 11.920 -6.718 1.00 0.00 N ATOM 85 CA THR A 8 -5.980 12.388 -5.999 1.00 0.00 C ATOM 86 C THR A 8 -6.575 11.245 -5.177 1.00 0.00 C ATOM 87 O THR A 8 -6.970 11.426 -4.026 1.00 0.00 O ATOM 88 CB THR A 8 -6.978 12.924 -7.034 1.00 0.00 C ATOM 89 OG1 THR A 8 -6.282 13.701 -7.994 1.00 0.00 O ATOM 90 CG2 THR A 8 -8.071 13.773 -6.380 1.00 0.00 C ATOM 0 H THR A 8 -4.909 11.973 -7.732 1.00 0.00 H new ATOM 0 HA THR A 8 -5.722 13.184 -5.301 1.00 0.00 H new ATOM 0 HB THR A 8 -7.461 12.073 -7.514 1.00 0.00 H new ATOM 0 HG1 THR A 8 -6.915 14.044 -8.658 1.00 0.00 H new ATOM 0 HG21 THR A 8 -8.758 14.134 -7.145 1.00 0.00 H new ATOM 0 HG22 THR A 8 -8.618 13.168 -5.658 1.00 0.00 H new ATOM 0 HG23 THR A 8 -7.616 14.623 -5.871 1.00 0.00 H new ATOM 91 N LEU A 9 -6.629 10.049 -5.762 1.00 0.00 N ATOM 92 CA LEU A 9 -7.142 8.867 -5.116 1.00 0.00 C ATOM 93 C LEU A 9 -6.268 8.530 -3.907 1.00 0.00 C ATOM 94 O LEU A 9 -6.795 8.366 -2.811 1.00 0.00 O ATOM 95 CB LEU A 9 -7.211 7.742 -6.157 1.00 0.00 C ATOM 96 CG LEU A 9 -8.584 7.577 -6.837 1.00 0.00 C ATOM 97 CD1 LEU A 9 -9.650 7.079 -5.854 1.00 0.00 C ATOM 98 CD2 LEU A 9 -9.081 8.858 -7.517 1.00 0.00 C ATOM 0 H LEU A 9 -6.309 9.884 -6.716 1.00 0.00 H new ATOM 0 HA LEU A 9 -8.151 9.020 -4.732 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -6.461 7.930 -6.925 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -6.945 6.802 -5.674 1.00 0.00 H new ATOM 0 HG LEU A 9 -8.428 6.827 -7.612 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -10.603 6.976 -6.372 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -9.350 6.112 -5.451 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -9.756 7.795 -5.039 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -10.052 8.673 -7.976 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -9.175 9.651 -6.775 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -8.369 9.162 -8.284 1.00 0.00 H new ATOM 99 N PHE A 10 -4.942 8.494 -4.079 1.00 0.00 N ATOM 100 CA PHE A 10 -4.013 8.359 -2.962 1.00 0.00 C ATOM 101 C PHE A 10 -4.360 9.383 -1.879 1.00 0.00 C ATOM 102 O PHE A 10 -4.581 9.031 -0.718 1.00 0.00 O ATOM 103 CB PHE A 10 -2.558 8.515 -3.430 1.00 0.00 C ATOM 104 CG PHE A 10 -1.543 8.367 -2.312 1.00 0.00 C ATOM 105 CD1 PHE A 10 -1.088 7.088 -1.940 1.00 0.00 C ATOM 106 CD2 PHE A 10 -1.164 9.489 -1.550 1.00 0.00 C ATOM 107 CE1 PHE A 10 -0.327 6.927 -0.767 1.00 0.00 C ATOM 108 CE2 PHE A 10 -0.440 9.316 -0.357 1.00 0.00 C ATOM 109 CZ PHE A 10 -0.074 8.028 0.065 1.00 0.00 C ATOM 0 H PHE A 10 -4.490 8.557 -4.991 1.00 0.00 H new ATOM 0 HA PHE A 10 -4.110 7.358 -2.542 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -2.350 7.771 -4.199 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -2.437 9.494 -3.893 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -1.323 6.231 -2.554 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -1.429 10.482 -1.882 1.00 0.00 H new ATOM 0 HE1 PHE A 10 0.063 5.954 -0.507 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -0.165 10.176 0.236 1.00 0.00 H new ATOM 0 HZ PHE A 10 0.400 7.885 1.025 1.00 0.00 H new ATOM 110 N LYS A 11 -4.444 10.657 -2.278 1.00 0.00 N ATOM 111 CA LYS A 11 -4.716 11.750 -1.359 1.00 0.00 C ATOM 112 C LYS A 11 -6.046 11.581 -0.618 1.00 0.00 C ATOM 113 O LYS A 11 -6.141 11.974 0.543 1.00 0.00 O ATOM 114 CB LYS A 11 -4.593 13.109 -2.062 1.00 0.00 C ATOM 115 CG LYS A 11 -3.115 13.440 -2.336 1.00 0.00 C ATOM 116 CD LYS A 11 -2.895 14.886 -2.805 1.00 0.00 C ATOM 117 CE LYS A 11 -3.102 15.893 -1.660 1.00 0.00 C ATOM 118 NZ LYS A 11 -2.661 17.256 -2.025 1.00 0.00 N ATOM 0 H LYS A 11 -4.324 10.951 -3.247 1.00 0.00 H new ATOM 0 HA LYS A 11 -3.949 11.720 -0.585 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -5.148 13.092 -3.000 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -5.038 13.888 -1.442 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -2.537 13.267 -1.428 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -2.731 12.757 -3.094 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -1.886 14.990 -3.203 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -3.584 15.113 -3.619 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -4.157 15.916 -1.386 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -2.551 15.559 -0.781 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -2.820 17.899 -1.223 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -1.648 17.242 -2.262 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -3.204 17.588 -2.848 1.00 0.00 H new ATOM 119 N THR A 12 -7.063 11.003 -1.259 1.00 0.00 N ATOM 120 CA THR A 12 -8.387 10.851 -0.664 1.00 0.00 C ATOM 121 C THR A 12 -8.638 9.437 -0.121 1.00 0.00 C ATOM 122 O THR A 12 -9.792 9.096 0.145 1.00 0.00 O ATOM 123 CB THR A 12 -9.461 11.281 -1.678 1.00 0.00 C ATOM 124 OG1 THR A 12 -9.338 10.548 -2.879 1.00 0.00 O ATOM 125 CG2 THR A 12 -9.358 12.777 -1.995 1.00 0.00 C ATOM 0 H THR A 12 -6.990 10.628 -2.205 1.00 0.00 H new ATOM 0 HA THR A 12 -8.443 11.506 0.205 1.00 0.00 H new ATOM 0 HB THR A 12 -10.432 11.079 -1.225 1.00 0.00 H new ATOM 0 HG1 THR A 12 -8.558 10.868 -3.379 1.00 0.00 H new ATOM 0 HG21 THR A 12 -10.130 13.050 -2.714 1.00 0.00 H new ATOM 0 HG22 THR A 12 -9.494 13.353 -1.080 1.00 0.00 H new ATOM 0 HG23 THR A 12 -8.376 12.993 -2.417 1.00 0.00 H new ATOM 126 N ARG A 13 -7.607 8.597 0.036 1.00 0.00 N ATOM 127 CA ARG A 13 -7.747 7.289 0.676 1.00 0.00 C ATOM 128 C ARG A 13 -6.512 6.980 1.514 1.00 0.00 C ATOM 129 O ARG A 13 -6.604 6.763 2.716 1.00 0.00 O ATOM 130 CB ARG A 13 -7.970 6.155 -0.348 1.00 0.00 C ATOM 131 CG ARG A 13 -9.385 6.111 -0.943 1.00 0.00 C ATOM 132 CD ARG A 13 -9.493 6.883 -2.264 1.00 0.00 C ATOM 133 NE ARG A 13 -10.840 6.791 -2.845 1.00 0.00 N ATOM 134 CZ ARG A 13 -11.902 7.529 -2.482 1.00 0.00 C ATOM 135 NH1 ARG A 13 -11.835 8.353 -1.431 1.00 0.00 N ATOM 136 NH2 ARG A 13 -13.040 7.434 -3.179 1.00 0.00 N ATOM 0 H ARG A 13 -6.659 8.806 -0.276 1.00 0.00 H new ATOM 0 HA ARG A 13 -8.629 7.339 1.314 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -7.251 6.267 -1.159 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -7.761 5.200 0.134 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -9.674 5.073 -1.108 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -10.091 6.527 -0.224 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -9.242 7.930 -2.094 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -8.764 6.492 -2.974 1.00 0.00 H new ATOM 0 HE ARG A 13 -10.981 6.107 -3.589 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -10.970 8.426 -0.895 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -12.648 8.908 -1.166 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -13.097 6.805 -3.980 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -13.851 7.991 -2.910 1.00 0.00 H new ATOM 137 N CYS A 14 -5.357 6.899 0.861 1.00 0.00 N ATOM 138 CA CYS A 14 -4.169 6.281 1.421 1.00 0.00 C ATOM 139 C CYS A 14 -3.454 7.275 2.333 1.00 0.00 C ATOM 140 O CYS A 14 -3.085 6.941 3.460 1.00 0.00 O ATOM 141 CB CYS A 14 -3.273 5.822 0.302 1.00 0.00 C ATOM 142 SG CYS A 14 -4.103 4.911 -1.037 1.00 0.00 S ATOM 0 H CYS A 14 -5.222 7.266 -0.081 1.00 0.00 H new ATOM 0 HA CYS A 14 -4.445 5.413 2.019 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -2.779 6.694 -0.126 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -2.492 5.187 0.721 1.00 0.00 H new ATOM 0 HG CYS A 14 -3.225 4.220 -1.701 1.00 0.00 H new ATOM 143 N LEU A 15 -3.293 8.514 1.849 1.00 0.00 N ATOM 144 CA LEU A 15 -2.634 9.622 2.540 1.00 0.00 C ATOM 145 C LEU A 15 -3.093 9.750 3.991 1.00 0.00 C ATOM 146 O LEU A 15 -2.291 10.093 4.861 1.00 0.00 O ATOM 147 CB LEU A 15 -2.929 10.918 1.774 1.00 0.00 C ATOM 148 CG LEU A 15 -2.329 12.206 2.349 1.00 0.00 C ATOM 149 CD1 LEU A 15 -0.895 12.383 1.858 1.00 0.00 C ATOM 150 CD2 LEU A 15 -3.173 13.422 1.948 1.00 0.00 C ATOM 0 H LEU A 15 -3.634 8.779 0.925 1.00 0.00 H new ATOM 0 HA LEU A 15 -1.562 9.428 2.565 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -2.567 10.800 0.753 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -4.010 11.042 1.717 1.00 0.00 H new ATOM 0 HG LEU A 15 -2.327 12.128 3.436 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -0.479 13.301 2.273 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -0.293 11.534 2.180 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -0.888 12.441 0.770 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -2.730 14.326 2.366 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -3.203 13.502 0.861 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -4.187 13.304 2.331 1.00 0.00 H new ATOM 151 N GLN A 16 -4.381 9.491 4.243 1.00 0.00 N ATOM 152 CA GLN A 16 -4.964 9.416 5.576 1.00 0.00 C ATOM 153 C GLN A 16 -3.996 8.736 6.548 1.00 0.00 C ATOM 154 O GLN A 16 -3.678 9.279 7.605 1.00 0.00 O ATOM 155 CB GLN A 16 -6.281 8.626 5.482 1.00 0.00 C ATOM 156 CG GLN A 16 -7.016 8.529 6.827 1.00 0.00 C ATOM 157 CD GLN A 16 -8.275 7.670 6.743 1.00 0.00 C ATOM 158 OE1 GLN A 16 -8.551 7.026 5.736 1.00 0.00 O ATOM 159 NE2 GLN A 16 -9.062 7.645 7.815 1.00 0.00 N ATOM 0 H GLN A 16 -5.061 9.324 3.501 1.00 0.00 H new ATOM 0 HA GLN A 16 -5.159 10.420 5.954 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -6.934 9.103 4.750 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -6.071 7.621 5.115 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -6.344 8.110 7.576 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -7.285 9.530 7.164 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -8.814 8.188 8.642 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -9.913 7.083 7.810 1.00 0.00 H new ATOM 160 N CYS A 17 -3.542 7.540 6.173 1.00 0.00 N ATOM 161 CA CYS A 17 -2.821 6.631 7.046 1.00 0.00 C ATOM 162 C CYS A 17 -1.337 6.565 6.693 1.00 0.00 C ATOM 163 O CYS A 17 -0.508 6.358 7.583 1.00 0.00 O ATOM 164 CB CYS A 17 -3.441 5.267 6.941 1.00 0.00 C ATOM 165 SG CYS A 17 -5.092 5.247 7.712 1.00 0.00 S ATOM 0 H CYS A 17 -3.672 7.173 5.230 1.00 0.00 H new ATOM 0 HA CYS A 17 -2.892 7.000 8.069 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -3.520 4.978 5.893 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -2.799 4.532 7.426 1.00 0.00 H new ATOM 0 HG CYS A 17 -5.606 4.058 7.605 1.00 0.00 H new ATOM 166 N HIS A 18 -1.019 6.715 5.404 1.00 0.00 N ATOM 167 CA HIS A 18 0.306 6.562 4.815 1.00 0.00 C ATOM 168 C HIS A 18 0.913 7.888 4.363 1.00 0.00 C ATOM 169 O HIS A 18 0.284 8.946 4.418 1.00 0.00 O ATOM 170 CB HIS A 18 0.187 5.653 3.588 1.00 0.00 C ATOM 171 CG HIS A 18 -0.060 4.224 3.948 1.00 0.00 C ATOM 172 ND1 HIS A 18 0.928 3.305 4.184 1.00 0.00 N ATOM 173 CD2 HIS A 18 -1.254 3.562 3.898 1.00 0.00 C ATOM 174 CE1 HIS A 18 0.348 2.103 4.257 1.00 0.00 C ATOM 175 NE2 HIS A 18 -0.978 2.206 4.094 1.00 0.00 N ATOM 0 H HIS A 18 -1.723 6.960 4.707 1.00 0.00 H new ATOM 0 HA HIS A 18 0.957 6.142 5.582 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -0.626 6.009 2.955 1.00 0.00 H new ATOM 0 HB3 HIS A 18 1.102 5.722 3.000 1.00 0.00 H new ATOM 0 HD1 HIS A 18 1.924 3.502 4.285 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -2.227 4.003 3.737 1.00 0.00 H new ATOM 0 HE1 HIS A 18 0.876 1.176 4.424 1.00 0.00 H new ATOM 176 N THR A 19 2.147 7.785 3.874 1.00 0.00 N ATOM 177 CA THR A 19 2.868 8.781 3.104 1.00 0.00 C ATOM 178 C THR A 19 3.421 8.089 1.854 1.00 0.00 C ATOM 179 O THR A 19 3.707 6.885 1.867 1.00 0.00 O ATOM 180 CB THR A 19 3.995 9.389 3.948 1.00 0.00 C ATOM 181 OG1 THR A 19 4.608 8.379 4.722 1.00 0.00 O ATOM 182 CG2 THR A 19 3.462 10.463 4.895 1.00 0.00 C ATOM 0 H THR A 19 2.703 6.942 4.019 1.00 0.00 H new ATOM 0 HA THR A 19 2.208 9.598 2.812 1.00 0.00 H new ATOM 0 HB THR A 19 4.714 9.841 3.265 1.00 0.00 H new ATOM 0 HG1 THR A 19 5.581 8.436 4.622 1.00 0.00 H new ATOM 0 HG21 THR A 19 4.285 10.874 5.479 1.00 0.00 H new ATOM 0 HG22 THR A 19 2.995 11.259 4.316 1.00 0.00 H new ATOM 0 HG23 THR A 19 2.725 10.023 5.567 1.00 0.00 H new ATOM 183 N VAL A 20 3.514 8.860 0.773 1.00 0.00 N ATOM 184 CA VAL A 20 3.931 8.440 -0.552 1.00 0.00 C ATOM 185 C VAL A 20 5.373 8.864 -0.829 1.00 0.00 C ATOM 186 O VAL A 20 6.130 8.141 -1.475 1.00 0.00 O ATOM 187 CB VAL A 20 2.943 9.031 -1.569 1.00 0.00 C ATOM 188 CG1 VAL A 20 2.738 10.553 -1.518 1.00 0.00 C ATOM 189 CG2 VAL A 20 3.332 8.636 -2.990 1.00 0.00 C ATOM 0 H VAL A 20 3.285 9.853 0.807 1.00 0.00 H new ATOM 0 HA VAL A 20 3.916 7.353 -0.632 1.00 0.00 H new ATOM 0 HB VAL A 20 1.987 8.598 -1.274 1.00 0.00 H new ATOM 0 HG11 VAL A 20 2.020 10.849 -2.282 1.00 0.00 H new ATOM 0 HG12 VAL A 20 2.360 10.837 -0.536 1.00 0.00 H new ATOM 0 HG13 VAL A 20 3.689 11.054 -1.700 1.00 0.00 H new ATOM 0 HG21 VAL A 20 2.620 9.065 -3.695 1.00 0.00 H new ATOM 0 HG22 VAL A 20 4.331 9.011 -3.211 1.00 0.00 H new ATOM 0 HG23 VAL A 20 3.323 7.550 -3.081 1.00 0.00 H new ATOM 190 N GLU A 21 5.728 10.060 -0.364 1.00 0.00 N ATOM 191 CA GLU A 21 6.974 10.732 -0.641 1.00 0.00 C ATOM 192 C GLU A 21 8.167 9.910 -0.149 1.00 0.00 C ATOM 193 O GLU A 21 8.057 9.069 0.747 1.00 0.00 O ATOM 194 CB GLU A 21 6.922 12.126 0.002 1.00 0.00 C ATOM 195 CG GLU A 21 6.431 12.098 1.464 1.00 0.00 C ATOM 196 CD GLU A 21 4.929 12.346 1.628 1.00 0.00 C ATOM 197 OE1 GLU A 21 4.162 11.380 1.402 1.00 0.00 O ATOM 198 OE2 GLU A 21 4.575 13.492 1.970 1.00 0.00 O ATOM 0 H GLU A 21 5.117 10.605 0.245 1.00 0.00 H new ATOM 0 HA GLU A 21 7.110 10.842 -1.717 1.00 0.00 H new ATOM 0 HB2 GLU A 21 7.915 12.573 -0.033 1.00 0.00 H new ATOM 0 HB3 GLU A 21 6.263 12.766 -0.585 1.00 0.00 H new ATOM 0 HG2 GLU A 21 6.677 11.130 1.899 1.00 0.00 H new ATOM 0 HG3 GLU A 21 6.976 12.851 2.033 1.00 0.00 H new ATOM 216 N PRO A 25 7.121 9.961 7.660 1.00 0.00 N ATOM 217 CA PRO A 25 6.996 9.114 8.840 1.00 0.00 C ATOM 218 C PRO A 25 6.008 7.959 8.628 1.00 0.00 C ATOM 219 O PRO A 25 5.018 8.097 7.913 1.00 0.00 O ATOM 220 CB PRO A 25 6.515 10.051 9.954 1.00 0.00 C ATOM 221 CG PRO A 25 5.744 11.133 9.196 1.00 0.00 C ATOM 222 CD PRO A 25 6.542 11.273 7.901 1.00 0.00 C ATOM 0 HA PRO A 25 7.945 8.635 9.081 1.00 0.00 H new ATOM 0 HB2 PRO A 25 5.879 9.531 10.670 1.00 0.00 H new ATOM 0 HB3 PRO A 25 7.350 10.471 10.515 1.00 0.00 H new ATOM 0 HG2 PRO A 25 4.713 10.836 9.005 1.00 0.00 H new ATOM 0 HG3 PRO A 25 5.709 12.070 9.753 1.00 0.00 H new ATOM 0 HD2 PRO A 25 5.899 11.577 7.075 1.00 0.00 H new ATOM 0 HD3 PRO A 25 7.317 12.033 7.998 1.00 0.00 H new ATOM 223 N HIS A 26 6.245 6.830 9.309 1.00 0.00 N ATOM 224 CA HIS A 26 5.307 5.713 9.362 1.00 0.00 C ATOM 225 C HIS A 26 4.176 6.108 10.318 1.00 0.00 C ATOM 226 O HIS A 26 4.259 5.832 11.511 1.00 0.00 O ATOM 227 CB HIS A 26 6.014 4.409 9.795 1.00 0.00 C ATOM 228 CG HIS A 26 7.321 4.140 9.087 1.00 0.00 C ATOM 229 ND1 HIS A 26 7.522 3.281 8.030 1.00 0.00 N ATOM 230 CD2 HIS A 26 8.530 4.712 9.383 1.00 0.00 C ATOM 231 CE1 HIS A 26 8.813 3.377 7.669 1.00 0.00 C ATOM 232 NE2 HIS A 26 9.468 4.235 8.465 1.00 0.00 N ATOM 0 H HIS A 26 7.101 6.670 9.841 1.00 0.00 H new ATOM 0 HA HIS A 26 4.894 5.509 8.374 1.00 0.00 H new ATOM 0 HB2 HIS A 26 6.199 4.450 10.868 1.00 0.00 H new ATOM 0 HB3 HIS A 26 5.341 3.570 9.619 1.00 0.00 H new ATOM 0 HD2 HIS A 26 8.724 5.409 10.185 1.00 0.00 H new ATOM 0 HE1 HIS A 26 9.262 2.836 6.849 1.00 0.00 H new ATOM 0 HE2 HIS A 26 10.454 4.489 8.411 1.00 0.00 H new ATOM 233 N LYS A 27 3.166 6.817 9.804 1.00 0.00 N ATOM 234 CA LYS A 27 2.075 7.386 10.585 1.00 0.00 C ATOM 235 C LYS A 27 1.181 6.284 11.173 1.00 0.00 C ATOM 236 O LYS A 27 1.478 5.742 12.233 1.00 0.00 O ATOM 237 CB LYS A 27 1.276 8.331 9.687 1.00 0.00 C ATOM 238 CG LYS A 27 2.043 9.578 9.246 1.00 0.00 C ATOM 239 CD LYS A 27 1.098 10.524 8.490 1.00 0.00 C ATOM 240 CE LYS A 27 0.349 9.775 7.372 1.00 0.00 C ATOM 241 NZ LYS A 27 -0.250 10.664 6.360 1.00 0.00 N ATOM 0 H LYS A 27 3.087 7.013 8.806 1.00 0.00 H new ATOM 0 HA LYS A 27 2.481 7.944 11.429 1.00 0.00 H new ATOM 0 HB2 LYS A 27 0.953 7.785 8.801 1.00 0.00 H new ATOM 0 HB3 LYS A 27 0.375 8.641 10.216 1.00 0.00 H new ATOM 0 HG2 LYS A 27 2.463 10.085 10.115 1.00 0.00 H new ATOM 0 HG3 LYS A 27 2.879 9.296 8.607 1.00 0.00 H new ATOM 0 HD2 LYS A 27 0.380 10.960 9.185 1.00 0.00 H new ATOM 0 HD3 LYS A 27 1.668 11.349 8.062 1.00 0.00 H new ATOM 0 HE2 LYS A 27 1.040 9.092 6.879 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -0.437 9.166 7.818 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -1.263 10.448 6.264 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -0.134 11.654 6.655 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 0.223 10.518 5.446 1.00 0.00 H new ATOM 242 N VAL A 28 0.070 5.954 10.502 1.00 0.00 N ATOM 243 CA VAL A 28 -0.731 4.795 10.863 1.00 0.00 C ATOM 244 C VAL A 28 -0.169 3.621 10.080 1.00 0.00 C ATOM 245 O VAL A 28 0.127 2.589 10.674 1.00 0.00 O ATOM 246 CB VAL A 28 -2.222 5.044 10.584 1.00 0.00 C ATOM 247 CG1 VAL A 28 -3.062 3.775 10.765 1.00 0.00 C ATOM 248 CG2 VAL A 28 -2.767 6.099 11.547 1.00 0.00 C ATOM 0 H VAL A 28 -0.289 6.480 9.705 1.00 0.00 H new ATOM 0 HA VAL A 28 -0.675 4.585 11.931 1.00 0.00 H new ATOM 0 HB VAL A 28 -2.295 5.378 9.549 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -4.108 3.999 10.557 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -2.712 3.006 10.077 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -2.964 3.417 11.790 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -3.824 6.268 11.341 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -2.648 5.751 12.573 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -2.218 7.031 11.414 1.00 0.00 H new ATOM 249 N GLY A 29 -0.008 3.787 8.763 1.00 0.00 N ATOM 250 CA GLY A 29 0.642 2.827 7.886 1.00 0.00 C ATOM 251 C GLY A 29 2.069 3.284 7.566 1.00 0.00 C ATOM 252 O GLY A 29 2.389 4.463 7.726 1.00 0.00 O ATOM 0 H GLY A 29 -0.338 4.618 8.271 1.00 0.00 H new ATOM 0 HA2 GLY A 29 0.664 1.846 8.361 1.00 0.00 H new ATOM 0 HA3 GLY A 29 0.071 2.721 6.964 1.00 0.00 H new ATOM 253 N PRO A 30 2.947 2.371 7.122 1.00 0.00 N ATOM 254 CA PRO A 30 4.331 2.687 6.821 1.00 0.00 C ATOM 255 C PRO A 30 4.461 3.458 5.511 1.00 0.00 C ATOM 256 O PRO A 30 3.624 3.334 4.622 1.00 0.00 O ATOM 257 CB PRO A 30 5.052 1.343 6.733 1.00 0.00 C ATOM 258 CG PRO A 30 3.946 0.391 6.277 1.00 0.00 C ATOM 259 CD PRO A 30 2.697 0.950 6.958 1.00 0.00 C ATOM 0 HA PRO A 30 4.761 3.329 7.590 1.00 0.00 H new ATOM 0 HB2 PRO A 30 5.878 1.373 6.022 1.00 0.00 H new ATOM 0 HB3 PRO A 30 5.470 1.045 7.695 1.00 0.00 H new ATOM 0 HG2 PRO A 30 3.843 0.384 5.192 1.00 0.00 H new ATOM 0 HG3 PRO A 30 4.147 -0.635 6.585 1.00 0.00 H new ATOM 0 HD2 PRO A 30 1.808 0.775 6.352 1.00 0.00 H new ATOM 0 HD3 PRO A 30 2.526 0.468 7.921 1.00 0.00 H new ATOM 260 N ASN A 31 5.542 4.224 5.367 1.00 0.00 N ATOM 261 CA ASN A 31 5.785 4.995 4.152 1.00 0.00 C ATOM 262 C ASN A 31 5.920 4.047 2.960 1.00 0.00 C ATOM 263 O ASN A 31 6.684 3.079 3.021 1.00 0.00 O ATOM 264 CB ASN A 31 7.051 5.845 4.307 1.00 0.00 C ATOM 265 CG ASN A 31 7.095 7.010 3.319 1.00 0.00 C ATOM 266 OD1 ASN A 31 7.098 8.161 3.734 1.00 0.00 O ATOM 267 ND2 ASN A 31 7.140 6.774 2.014 1.00 0.00 N ATOM 0 H ASN A 31 6.264 4.326 6.080 1.00 0.00 H new ATOM 0 HA ASN A 31 4.942 5.664 3.978 1.00 0.00 H new ATOM 0 HB2 ASN A 31 7.103 6.233 5.324 1.00 0.00 H new ATOM 0 HB3 ASN A 31 7.928 5.215 4.161 1.00 0.00 H new ATOM 0 HD21 ASN A 31 7.177 7.552 1.356 1.00 0.00 H new ATOM 0 HD22 ASN A 31 7.137 5.814 1.669 1.00 0.00 H new ATOM 268 N LEU A 32 5.229 4.320 1.852 1.00 0.00 N ATOM 269 CA LEU A 32 5.171 3.415 0.707 1.00 0.00 C ATOM 270 C LEU A 32 6.289 3.733 -0.294 1.00 0.00 C ATOM 271 O LEU A 32 6.111 3.682 -1.508 1.00 0.00 O ATOM 272 CB LEU A 32 3.754 3.459 0.114 1.00 0.00 C ATOM 273 CG LEU A 32 2.681 3.003 1.124 1.00 0.00 C ATOM 274 CD1 LEU A 32 1.297 3.033 0.470 1.00 0.00 C ATOM 275 CD2 LEU A 32 2.934 1.584 1.653 1.00 0.00 C ATOM 0 H LEU A 32 4.693 5.178 1.725 1.00 0.00 H new ATOM 0 HA LEU A 32 5.356 2.385 1.013 1.00 0.00 H new ATOM 0 HB2 LEU A 32 3.532 4.474 -0.215 1.00 0.00 H new ATOM 0 HB3 LEU A 32 3.712 2.822 -0.769 1.00 0.00 H new ATOM 0 HG LEU A 32 2.731 3.696 1.964 1.00 0.00 H new ATOM 0 HD11 LEU A 32 0.547 2.709 1.191 1.00 0.00 H new ATOM 0 HD12 LEU A 32 1.071 4.048 0.142 1.00 0.00 H new ATOM 0 HD13 LEU A 32 1.286 2.363 -0.390 1.00 0.00 H new ATOM 0 HD21 LEU A 32 2.149 1.314 2.360 1.00 0.00 H new ATOM 0 HD22 LEU A 32 2.931 0.880 0.821 1.00 0.00 H new ATOM 0 HD23 LEU A 32 3.901 1.550 2.154 1.00 0.00 H new ATOM 276 N HIS A 33 7.476 4.022 0.244 1.00 0.00 N ATOM 277 CA HIS A 33 8.685 4.311 -0.516 1.00 0.00 C ATOM 278 C HIS A 33 9.348 2.989 -0.917 1.00 0.00 C ATOM 279 O HIS A 33 9.479 2.090 -0.083 1.00 0.00 O ATOM 280 CB HIS A 33 9.608 5.186 0.347 1.00 0.00 C ATOM 281 CG HIS A 33 10.977 5.471 -0.217 1.00 0.00 C ATOM 282 ND1 HIS A 33 12.085 5.812 0.527 1.00 0.00 N ATOM 283 CD2 HIS A 33 11.328 5.557 -1.539 1.00 0.00 C ATOM 284 CE1 HIS A 33 13.083 6.079 -0.333 1.00 0.00 C ATOM 285 NE2 HIS A 33 12.671 5.929 -1.599 1.00 0.00 N ATOM 0 H HIS A 33 7.622 4.061 1.253 1.00 0.00 H new ATOM 0 HA HIS A 33 8.458 4.859 -1.431 1.00 0.00 H new ATOM 0 HB2 HIS A 33 9.107 6.137 0.527 1.00 0.00 H new ATOM 0 HB3 HIS A 33 9.731 4.702 1.316 1.00 0.00 H new ATOM 0 HD2 HIS A 33 10.681 5.370 -2.383 1.00 0.00 H new ATOM 0 HE1 HIS A 33 14.081 6.374 -0.043 1.00 0.00 H new ATOM 0 HE2 HIS A 33 13.230 6.061 -2.442 1.00 0.00 H new ATOM 286 N GLY A 34 9.728 2.853 -2.194 1.00 0.00 N ATOM 287 CA GLY A 34 10.354 1.647 -2.727 1.00 0.00 C ATOM 288 C GLY A 34 9.455 0.416 -2.595 1.00 0.00 C ATOM 289 O GLY A 34 9.935 -0.717 -2.618 1.00 0.00 O ATOM 0 H GLY A 34 9.606 3.589 -2.890 1.00 0.00 H new ATOM 0 HA2 GLY A 34 10.600 1.803 -3.777 1.00 0.00 H new ATOM 0 HA3 GLY A 34 11.292 1.466 -2.203 1.00 0.00 H new ATOM 290 N ILE A 35 8.143 0.635 -2.438 1.00 0.00 N ATOM 291 CA ILE A 35 7.218 -0.445 -2.152 1.00 0.00 C ATOM 292 C ILE A 35 7.158 -1.421 -3.329 1.00 0.00 C ATOM 293 O ILE A 35 7.206 -2.628 -3.120 1.00 0.00 O ATOM 294 CB ILE A 35 5.862 0.106 -1.685 1.00 0.00 C ATOM 295 CG1 ILE A 35 4.918 -0.997 -1.186 1.00 0.00 C ATOM 296 CG2 ILE A 35 5.131 0.870 -2.777 1.00 0.00 C ATOM 297 CD1 ILE A 35 5.282 -1.431 0.222 1.00 0.00 C ATOM 0 H ILE A 35 7.708 1.555 -2.506 1.00 0.00 H new ATOM 0 HA ILE A 35 7.579 -1.036 -1.310 1.00 0.00 H new ATOM 0 HB ILE A 35 6.112 0.781 -0.866 1.00 0.00 H new ATOM 0 HG12 ILE A 35 3.890 -0.636 -1.204 1.00 0.00 H new ATOM 0 HG13 ILE A 35 4.967 -1.854 -1.858 1.00 0.00 H new ATOM 0 HG21 ILE A 35 4.180 1.236 -2.391 1.00 0.00 H new ATOM 0 HG22 ILE A 35 5.740 1.714 -3.101 1.00 0.00 H new ATOM 0 HG23 ILE A 35 4.948 0.209 -3.624 1.00 0.00 H new ATOM 0 HD11 ILE A 35 4.597 -2.213 0.550 1.00 0.00 H new ATOM 0 HD12 ILE A 35 6.302 -1.814 0.232 1.00 0.00 H new ATOM 0 HD13 ILE A 35 5.208 -0.578 0.896 1.00 0.00 H new ATOM 298 N PHE A 36 7.120 -0.907 -4.564 1.00 0.00 N ATOM 299 CA PHE A 36 7.175 -1.733 -5.763 1.00 0.00 C ATOM 300 C PHE A 36 8.588 -2.274 -5.961 1.00 0.00 C ATOM 301 O PHE A 36 9.304 -1.832 -6.857 1.00 0.00 O ATOM 302 CB PHE A 36 6.676 -0.955 -6.986 1.00 0.00 C ATOM 303 CG PHE A 36 5.180 -0.729 -6.958 1.00 0.00 C ATOM 304 CD1 PHE A 36 4.651 0.309 -6.173 1.00 0.00 C ATOM 305 CD2 PHE A 36 4.315 -1.693 -7.506 1.00 0.00 C ATOM 306 CE1 PHE A 36 3.278 0.358 -5.902 1.00 0.00 C ATOM 307 CE2 PHE A 36 2.938 -1.628 -7.242 1.00 0.00 C ATOM 308 CZ PHE A 36 2.413 -0.596 -6.452 1.00 0.00 C ATOM 0 H PHE A 36 7.050 0.093 -4.754 1.00 0.00 H new ATOM 0 HA PHE A 36 6.508 -2.586 -5.639 1.00 0.00 H new ATOM 0 HB2 PHE A 36 7.185 0.008 -7.033 1.00 0.00 H new ATOM 0 HB3 PHE A 36 6.941 -1.500 -7.892 1.00 0.00 H new ATOM 0 HD1 PHE A 36 5.305 1.072 -5.777 1.00 0.00 H new ATOM 0 HD2 PHE A 36 4.710 -2.482 -8.129 1.00 0.00 H new ATOM 0 HE1 PHE A 36 2.884 1.136 -5.265 1.00 0.00 H new ATOM 0 HE2 PHE A 36 2.278 -2.379 -7.651 1.00 0.00 H new ATOM 0 HZ PHE A 36 1.350 -0.537 -6.269 1.00 0.00 H new ATOM 309 N GLY A 37 8.991 -3.218 -5.112 1.00 0.00 N ATOM 310 CA GLY A 37 10.313 -3.815 -5.147 1.00 0.00 C ATOM 311 C GLY A 37 10.659 -4.412 -3.790 1.00 0.00 C ATOM 312 O GLY A 37 11.064 -5.571 -3.710 1.00 0.00 O ATOM 0 H GLY A 37 8.396 -3.591 -4.372 1.00 0.00 H new ATOM 0 HA2 GLY A 37 10.349 -4.590 -5.913 1.00 0.00 H new ATOM 0 HA3 GLY A 37 11.052 -3.062 -5.420 1.00 0.00 H new ATOM 313 N ARG A 38 10.529 -3.626 -2.717 1.00 0.00 N ATOM 314 CA ARG A 38 10.806 -4.144 -1.385 1.00 0.00 C ATOM 315 C ARG A 38 9.745 -5.192 -1.024 1.00 0.00 C ATOM 316 O ARG A 38 8.552 -4.941 -1.185 1.00 0.00 O ATOM 317 CB ARG A 38 10.892 -2.990 -0.367 1.00 0.00 C ATOM 318 CG ARG A 38 9.531 -2.625 0.238 1.00 0.00 C ATOM 319 CD ARG A 38 9.521 -1.300 1.004 1.00 0.00 C ATOM 320 NE ARG A 38 8.347 -1.240 1.894 1.00 0.00 N ATOM 321 CZ ARG A 38 7.767 -0.133 2.383 1.00 0.00 C ATOM 322 NH1 ARG A 38 8.190 1.082 2.026 1.00 0.00 N ATOM 323 NH2 ARG A 38 6.745 -0.235 3.238 1.00 0.00 N ATOM 0 H ARG A 38 10.239 -2.648 -2.747 1.00 0.00 H new ATOM 0 HA ARG A 38 11.777 -4.639 -1.362 1.00 0.00 H new ATOM 0 HB2 ARG A 38 11.577 -3.269 0.434 1.00 0.00 H new ATOM 0 HB3 ARG A 38 11.314 -2.112 -0.856 1.00 0.00 H new ATOM 0 HG2 ARG A 38 8.792 -2.575 -0.562 1.00 0.00 H new ATOM 0 HG3 ARG A 38 9.219 -3.424 0.911 1.00 0.00 H new ATOM 0 HD2 ARG A 38 10.436 -1.202 1.588 1.00 0.00 H new ATOM 0 HD3 ARG A 38 9.499 -0.466 0.303 1.00 0.00 H new ATOM 0 HE ARG A 38 7.933 -2.132 2.166 1.00 0.00 H new ATOM 0 HH11 ARG A 38 8.966 1.180 1.371 1.00 0.00 H new ATOM 0 HH12 ARG A 38 7.737 1.912 2.408 1.00 0.00 H new ATOM 0 HH21 ARG A 38 6.405 -1.155 3.519 1.00 0.00 H new ATOM 0 HH22 ARG A 38 6.305 0.607 3.609 1.00 0.00 H new ATOM 324 N GLN A 39 10.148 -6.356 -0.508 1.00 0.00 N ATOM 325 CA GLN A 39 9.193 -7.312 0.003 1.00 0.00 C ATOM 326 C GLN A 39 8.405 -6.718 1.175 1.00 0.00 C ATOM 327 O GLN A 39 8.813 -5.735 1.796 1.00 0.00 O ATOM 328 CB GLN A 39 9.927 -8.580 0.435 1.00 0.00 C ATOM 329 CG GLN A 39 10.978 -8.352 1.531 1.00 0.00 C ATOM 330 CD GLN A 39 11.413 -9.678 2.140 1.00 0.00 C ATOM 331 OE1 GLN A 39 12.455 -10.219 1.787 1.00 0.00 O ATOM 332 NE2 GLN A 39 10.610 -10.216 3.055 1.00 0.00 N ATOM 0 H GLN A 39 11.123 -6.647 -0.438 1.00 0.00 H new ATOM 0 HA GLN A 39 8.481 -7.561 -0.784 1.00 0.00 H new ATOM 0 HB2 GLN A 39 9.197 -9.306 0.792 1.00 0.00 H new ATOM 0 HB3 GLN A 39 10.414 -9.019 -0.435 1.00 0.00 H new ATOM 0 HG2 GLN A 39 11.842 -7.837 1.112 1.00 0.00 H new ATOM 0 HG3 GLN A 39 10.568 -7.706 2.307 1.00 0.00 H new ATOM 0 HE21 GLN A 39 9.751 -9.737 3.324 1.00 0.00 H new ATOM 0 HE22 GLN A 39 10.854 -11.107 3.487 1.00 0.00 H new ATOM 333 N SER A 40 7.286 -7.351 1.501 1.00 0.00 N ATOM 334 CA SER A 40 6.440 -6.953 2.603 1.00 0.00 C ATOM 335 C SER A 40 7.175 -7.219 3.915 1.00 0.00 C ATOM 336 O SER A 40 8.027 -8.111 3.986 1.00 0.00 O ATOM 337 CB SER A 40 5.074 -7.647 2.486 1.00 0.00 C ATOM 338 OG SER A 40 5.100 -8.988 2.934 1.00 0.00 O ATOM 0 H SER A 40 6.941 -8.167 0.996 1.00 0.00 H new ATOM 0 HA SER A 40 6.229 -5.884 2.579 1.00 0.00 H new ATOM 0 HB2 SER A 40 4.338 -7.090 3.065 1.00 0.00 H new ATOM 0 HB3 SER A 40 4.747 -7.622 1.446 1.00 0.00 H new ATOM 0 HG SER A 40 4.819 -9.025 3.872 1.00 0.00 H new ATOM 339 N GLY A 41 6.870 -6.430 4.946 1.00 0.00 N ATOM 340 CA GLY A 41 7.460 -6.648 6.257 1.00 0.00 C ATOM 341 C GLY A 41 8.979 -6.430 6.258 1.00 0.00 C ATOM 342 O GLY A 41 9.712 -7.297 6.726 1.00 0.00 O ATOM 0 H GLY A 41 6.223 -5.643 4.895 1.00 0.00 H new ATOM 0 HA2 GLY A 41 6.998 -5.973 6.977 1.00 0.00 H new ATOM 0 HA3 GLY A 41 7.241 -7.664 6.587 1.00 0.00 H new ATOM 370 N TYR A 46 9.133 0.275 13.048 1.00 0.00 N ATOM 371 CA TYR A 46 7.703 0.515 12.967 1.00 0.00 C ATOM 372 C TYR A 46 6.908 -0.738 13.383 1.00 0.00 C ATOM 373 O TYR A 46 7.370 -1.870 13.238 1.00 0.00 O ATOM 374 CB TYR A 46 7.374 0.981 11.544 1.00 0.00 C ATOM 375 CG TYR A 46 5.906 0.928 11.195 1.00 0.00 C ATOM 376 CD1 TYR A 46 5.013 1.905 11.678 1.00 0.00 C ATOM 377 CD2 TYR A 46 5.414 -0.174 10.476 1.00 0.00 C ATOM 378 CE1 TYR A 46 3.635 1.790 11.427 1.00 0.00 C ATOM 379 CE2 TYR A 46 4.056 -0.234 10.158 1.00 0.00 C ATOM 380 CZ TYR A 46 3.156 0.694 10.692 1.00 0.00 C ATOM 381 OH TYR A 46 1.834 0.561 10.404 1.00 0.00 O ATOM 0 HA TYR A 46 7.408 1.297 13.666 1.00 0.00 H new ATOM 0 HB2 TYR A 46 7.728 2.004 11.419 1.00 0.00 H new ATOM 0 HB3 TYR A 46 7.926 0.363 10.836 1.00 0.00 H new ATOM 0 HD1 TYR A 46 5.389 2.745 12.243 1.00 0.00 H new ATOM 0 HD2 TYR A 46 6.080 -0.968 10.172 1.00 0.00 H new ATOM 0 HE1 TYR A 46 2.950 2.539 11.797 1.00 0.00 H new ATOM 0 HE2 TYR A 46 3.697 -1.005 9.493 1.00 0.00 H new ATOM 0 HH TYR A 46 1.424 1.448 10.331 1.00 0.00 H new ATOM 382 N SER A 47 5.698 -0.523 13.906 1.00 0.00 N ATOM 383 CA SER A 47 4.812 -1.526 14.473 1.00 0.00 C ATOM 384 C SER A 47 4.184 -2.420 13.393 1.00 0.00 C ATOM 385 O SER A 47 2.983 -2.363 13.139 1.00 0.00 O ATOM 386 CB SER A 47 3.769 -0.772 15.312 1.00 0.00 C ATOM 387 OG SER A 47 3.524 0.511 14.747 1.00 0.00 O ATOM 0 H SER A 47 5.293 0.412 13.944 1.00 0.00 H new ATOM 0 HA SER A 47 5.365 -2.219 15.106 1.00 0.00 H new ATOM 0 HB2 SER A 47 2.842 -1.343 15.353 1.00 0.00 H new ATOM 0 HB3 SER A 47 4.123 -0.665 16.337 1.00 0.00 H new ATOM 0 HG SER A 47 3.182 0.407 13.834 1.00 0.00 H new ATOM 388 N TYR A 48 5.011 -3.267 12.781 1.00 0.00 N ATOM 389 CA TYR A 48 4.625 -4.294 11.835 1.00 0.00 C ATOM 390 C TYR A 48 4.057 -5.539 12.531 1.00 0.00 C ATOM 391 O TYR A 48 3.800 -5.511 13.734 1.00 0.00 O ATOM 392 CB TYR A 48 5.901 -4.664 11.089 1.00 0.00 C ATOM 393 CG TYR A 48 6.240 -3.846 9.872 1.00 0.00 C ATOM 394 CD1 TYR A 48 5.281 -3.566 8.871 1.00 0.00 C ATOM 395 CD2 TYR A 48 7.596 -3.830 9.543 1.00 0.00 C ATOM 396 CE1 TYR A 48 5.694 -3.248 7.564 1.00 0.00 C ATOM 397 CE2 TYR A 48 7.964 -3.775 8.204 1.00 0.00 C ATOM 398 CZ TYR A 48 7.047 -3.379 7.218 1.00 0.00 C ATOM 399 OH TYR A 48 7.460 -3.284 5.916 1.00 0.00 O ATOM 0 H TYR A 48 6.018 -3.248 12.945 1.00 0.00 H new ATOM 0 HA TYR A 48 3.840 -3.925 11.175 1.00 0.00 H new ATOM 0 HB2 TYR A 48 6.735 -4.594 11.788 1.00 0.00 H new ATOM 0 HB3 TYR A 48 5.826 -5.708 10.786 1.00 0.00 H new ATOM 0 HD1 TYR A 48 4.228 -3.596 9.111 1.00 0.00 H new ATOM 0 HD2 TYR A 48 8.348 -3.860 10.317 1.00 0.00 H new ATOM 0 HE1 TYR A 48 4.976 -2.906 6.834 1.00 0.00 H new ATOM 0 HE2 TYR A 48 8.971 -4.041 7.918 1.00 0.00 H new ATOM 0 HH TYR A 48 8.432 -3.400 5.872 1.00 0.00 H new ATOM 400 N THR A 49 3.890 -6.642 11.782 1.00 0.00 N ATOM 401 CA THR A 49 3.349 -7.891 12.299 1.00 0.00 C ATOM 402 C THR A 49 4.127 -9.120 11.820 1.00 0.00 C ATOM 403 O THR A 49 4.603 -9.188 10.683 1.00 0.00 O ATOM 404 CB THR A 49 1.862 -8.032 11.939 1.00 0.00 C ATOM 405 OG1 THR A 49 1.664 -8.385 10.585 1.00 0.00 O ATOM 406 CG2 THR A 49 1.094 -6.742 12.194 1.00 0.00 C ATOM 0 H THR A 49 4.132 -6.682 10.792 1.00 0.00 H new ATOM 0 HA THR A 49 3.455 -7.847 13.383 1.00 0.00 H new ATOM 0 HB THR A 49 1.488 -8.829 12.582 1.00 0.00 H new ATOM 0 HG1 THR A 49 0.704 -8.475 10.407 1.00 0.00 H new ATOM 0 HG21 THR A 49 0.047 -6.883 11.927 1.00 0.00 H new ATOM 0 HG22 THR A 49 1.167 -6.478 13.249 1.00 0.00 H new ATOM 0 HG23 THR A 49 1.518 -5.941 11.589 1.00 0.00 H new ATOM 407 N ASP A 50 4.168 -10.121 12.706 1.00 0.00 N ATOM 408 CA ASP A 50 4.504 -11.509 12.426 1.00 0.00 C ATOM 409 C ASP A 50 3.857 -11.971 11.122 1.00 0.00 C ATOM 410 O ASP A 50 4.516 -12.505 10.233 1.00 0.00 O ATOM 411 CB ASP A 50 3.969 -12.338 13.596 1.00 0.00 C ATOM 412 CG ASP A 50 4.166 -13.827 13.388 1.00 0.00 C ATOM 413 OD1 ASP A 50 5.284 -14.334 13.609 1.00 0.00 O ATOM 414 OD2 ASP A 50 3.191 -14.518 13.027 1.00 0.00 O ATOM 0 H ASP A 50 3.954 -9.969 13.692 1.00 0.00 H new ATOM 0 HA ASP A 50 5.582 -11.627 12.315 1.00 0.00 H new ATOM 0 HB2 ASP A 50 4.472 -12.033 14.514 1.00 0.00 H new ATOM 0 HB3 ASP A 50 2.907 -12.130 13.730 1.00 0.00 H new ATOM 415 N ALA A 51 2.547 -11.744 11.023 1.00 0.00 N ATOM 416 CA ALA A 51 1.750 -12.124 9.871 1.00 0.00 C ATOM 417 C ALA A 51 2.274 -11.491 8.580 1.00 0.00 C ATOM 418 O ALA A 51 2.505 -12.215 7.612 1.00 0.00 O ATOM 419 CB ALA A 51 0.283 -11.775 10.109 1.00 0.00 C ATOM 0 H ALA A 51 2.007 -11.283 11.756 1.00 0.00 H new ATOM 0 HA ALA A 51 1.833 -13.203 9.744 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -0.306 -12.064 9.238 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -0.080 -12.309 10.987 1.00 0.00 H new ATOM 0 HB3 ALA A 51 0.186 -10.702 10.272 1.00 0.00 H new ATOM 420 N ASN A 52 2.461 -10.162 8.536 1.00 0.00 N ATOM 421 CA ASN A 52 2.982 -9.506 7.335 1.00 0.00 C ATOM 422 C ASN A 52 4.319 -10.139 6.937 1.00 0.00 C ATOM 423 O ASN A 52 4.496 -10.531 5.784 1.00 0.00 O ATOM 424 CB ASN A 52 3.068 -7.982 7.541 1.00 0.00 C ATOM 425 CG ASN A 52 3.555 -7.208 6.306 1.00 0.00 C ATOM 426 OD1 ASN A 52 4.148 -7.771 5.392 1.00 0.00 O ATOM 427 ND2 ASN A 52 3.308 -5.900 6.254 1.00 0.00 N ATOM 0 H ASN A 52 2.261 -9.530 9.311 1.00 0.00 H new ATOM 0 HA ASN A 52 2.295 -9.660 6.503 1.00 0.00 H new ATOM 0 HB2 ASN A 52 2.084 -7.609 7.826 1.00 0.00 H new ATOM 0 HB3 ASN A 52 3.740 -7.776 8.374 1.00 0.00 H new ATOM 0 HD21 ASN A 52 3.613 -5.355 5.448 1.00 0.00 H new ATOM 0 HD22 ASN A 52 2.814 -5.443 7.021 1.00 0.00 H new ATOM 428 N ILE A 53 5.233 -10.297 7.901 1.00 0.00 N ATOM 429 CA ILE A 53 6.522 -10.936 7.656 1.00 0.00 C ATOM 430 C ILE A 53 6.331 -12.335 7.053 1.00 0.00 C ATOM 431 O ILE A 53 6.818 -12.614 5.959 1.00 0.00 O ATOM 432 CB ILE A 53 7.364 -10.947 8.947 1.00 0.00 C ATOM 433 CG1 ILE A 53 7.741 -9.503 9.328 1.00 0.00 C ATOM 434 CG2 ILE A 53 8.632 -11.795 8.767 1.00 0.00 C ATOM 435 CD1 ILE A 53 8.312 -9.396 10.744 1.00 0.00 C ATOM 0 H ILE A 53 5.098 -9.987 8.863 1.00 0.00 H new ATOM 0 HA ILE A 53 7.078 -10.357 6.918 1.00 0.00 H new ATOM 0 HB ILE A 53 6.771 -11.391 9.747 1.00 0.00 H new ATOM 0 HG12 ILE A 53 8.473 -9.123 8.616 1.00 0.00 H new ATOM 0 HG13 ILE A 53 6.859 -8.868 9.247 1.00 0.00 H new ATOM 0 HG21 ILE A 53 9.209 -11.787 9.692 1.00 0.00 H new ATOM 0 HG22 ILE A 53 8.353 -12.820 8.522 1.00 0.00 H new ATOM 0 HG23 ILE A 53 9.235 -11.381 7.959 1.00 0.00 H new ATOM 0 HD11 ILE A 53 8.560 -8.357 10.959 1.00 0.00 H new ATOM 0 HD12 ILE A 53 7.572 -9.748 11.462 1.00 0.00 H new ATOM 0 HD13 ILE A 53 9.211 -10.007 10.821 1.00 0.00 H new ATOM 436 N LYS A 54 5.627 -13.232 7.749 1.00 0.00 N ATOM 437 CA LYS A 54 5.412 -14.597 7.281 1.00 0.00 C ATOM 438 C LYS A 54 4.780 -14.613 5.892 1.00 0.00 C ATOM 439 O LYS A 54 5.180 -15.396 5.032 1.00 0.00 O ATOM 440 CB LYS A 54 4.550 -15.377 8.275 1.00 0.00 C ATOM 441 CG LYS A 54 5.364 -15.734 9.521 1.00 0.00 C ATOM 442 CD LYS A 54 4.453 -16.372 10.572 1.00 0.00 C ATOM 443 CE LYS A 54 5.286 -16.821 11.780 1.00 0.00 C ATOM 444 NZ LYS A 54 4.474 -16.867 13.011 1.00 0.00 N ATOM 0 H LYS A 54 5.193 -13.030 8.650 1.00 0.00 H new ATOM 0 HA LYS A 54 6.385 -15.083 7.210 1.00 0.00 H new ATOM 0 HB2 LYS A 54 3.682 -14.782 8.558 1.00 0.00 H new ATOM 0 HB3 LYS A 54 4.174 -16.286 7.805 1.00 0.00 H new ATOM 0 HG2 LYS A 54 6.167 -16.422 9.257 1.00 0.00 H new ATOM 0 HG3 LYS A 54 5.833 -14.839 9.929 1.00 0.00 H new ATOM 0 HD2 LYS A 54 3.692 -15.658 10.888 1.00 0.00 H new ATOM 0 HD3 LYS A 54 3.929 -17.226 10.142 1.00 0.00 H new ATOM 0 HE2 LYS A 54 5.709 -17.806 11.585 1.00 0.00 H new ATOM 0 HE3 LYS A 54 6.123 -16.137 11.920 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 5.059 -16.585 13.823 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 3.669 -16.215 12.921 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 4.121 -17.834 13.158 1.00 0.00 H new ATOM 445 N LYS A 55 3.822 -13.718 5.646 1.00 0.00 N ATOM 446 CA LYS A 55 3.136 -13.611 4.370 1.00 0.00 C ATOM 447 C LYS A 55 3.947 -12.755 3.385 1.00 0.00 C ATOM 448 O LYS A 55 3.363 -12.194 2.464 1.00 0.00 O ATOM 449 CB LYS A 55 1.712 -13.089 4.625 1.00 0.00 C ATOM 450 CG LYS A 55 0.710 -13.245 3.469 1.00 0.00 C ATOM 451 CD LYS A 55 0.491 -14.695 3.023 1.00 0.00 C ATOM 452 CE LYS A 55 -0.752 -14.758 2.122 1.00 0.00 C ATOM 453 NZ LYS A 55 -0.966 -16.101 1.549 1.00 0.00 N ATOM 0 H LYS A 55 3.501 -13.042 6.339 1.00 0.00 H new ATOM 0 HA LYS A 55 3.048 -14.587 3.892 1.00 0.00 H new ATOM 0 HB2 LYS A 55 1.310 -13.604 5.497 1.00 0.00 H new ATOM 0 HB3 LYS A 55 1.776 -12.031 4.881 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -0.247 -12.821 3.772 1.00 0.00 H new ATOM 0 HG3 LYS A 55 1.061 -12.663 2.617 1.00 0.00 H new ATOM 0 HD2 LYS A 55 1.366 -15.059 2.484 1.00 0.00 H new ATOM 0 HD3 LYS A 55 0.360 -15.340 3.891 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -1.630 -14.468 2.699 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -0.648 -14.034 1.314 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -1.816 -16.091 0.950 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -0.141 -16.369 0.976 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -1.092 -16.790 2.318 1.00 0.00 H new ATOM 454 N ASN A 56 5.274 -12.691 3.565 1.00 0.00 N ATOM 455 CA ASN A 56 6.271 -12.149 2.641 1.00 0.00 C ATOM 456 C ASN A 56 5.783 -12.043 1.189 1.00 0.00 C ATOM 457 O ASN A 56 5.793 -13.016 0.440 1.00 0.00 O ATOM 458 CB ASN A 56 7.595 -12.934 2.740 1.00 0.00 C ATOM 459 CG ASN A 56 7.563 -14.348 2.154 1.00 0.00 C ATOM 460 OD1 ASN A 56 8.264 -14.633 1.187 1.00 0.00 O ATOM 461 ND2 ASN A 56 6.804 -15.270 2.742 1.00 0.00 N ATOM 0 H ASN A 56 5.705 -13.042 4.420 1.00 0.00 H new ATOM 0 HA ASN A 56 6.449 -11.122 2.958 1.00 0.00 H new ATOM 0 HB2 ASN A 56 8.374 -12.366 2.232 1.00 0.00 H new ATOM 0 HB3 ASN A 56 7.882 -13.000 3.790 1.00 0.00 H new ATOM 0 HD21 ASN A 56 6.800 -16.227 2.390 1.00 0.00 H new ATOM 0 HD22 ASN A 56 6.227 -15.019 3.545 1.00 0.00 H new ATOM 462 N VAL A 57 5.349 -10.846 0.795 1.00 0.00 N ATOM 463 CA VAL A 57 4.844 -10.543 -0.536 1.00 0.00 C ATOM 464 C VAL A 57 5.782 -9.524 -1.179 1.00 0.00 C ATOM 465 O VAL A 57 6.106 -8.517 -0.568 1.00 0.00 O ATOM 466 CB VAL A 57 3.392 -10.046 -0.405 1.00 0.00 C ATOM 467 CG1 VAL A 57 3.003 -9.009 -1.460 1.00 0.00 C ATOM 468 CG2 VAL A 57 2.436 -11.238 -0.514 1.00 0.00 C ATOM 0 H VAL A 57 5.341 -10.037 1.416 1.00 0.00 H new ATOM 0 HA VAL A 57 4.823 -11.419 -1.184 1.00 0.00 H new ATOM 0 HB VAL A 57 3.318 -9.560 0.568 1.00 0.00 H new ATOM 0 HG11 VAL A 57 1.968 -8.705 -1.306 1.00 0.00 H new ATOM 0 HG12 VAL A 57 3.654 -8.139 -1.372 1.00 0.00 H new ATOM 0 HG13 VAL A 57 3.110 -9.443 -2.454 1.00 0.00 H new ATOM 0 HG21 VAL A 57 1.407 -10.889 -0.422 1.00 0.00 H new ATOM 0 HG22 VAL A 57 2.569 -11.724 -1.481 1.00 0.00 H new ATOM 0 HG23 VAL A 57 2.650 -11.950 0.283 1.00 0.00 H new ATOM 469 N LEU A 58 6.223 -9.773 -2.412 1.00 0.00 N ATOM 470 CA LEU A 58 7.196 -8.934 -3.113 1.00 0.00 C ATOM 471 C LEU A 58 6.666 -7.507 -3.343 1.00 0.00 C ATOM 472 O LEU A 58 7.452 -6.579 -3.487 1.00 0.00 O ATOM 473 CB LEU A 58 7.568 -9.652 -4.415 1.00 0.00 C ATOM 474 CG LEU A 58 8.932 -9.328 -5.055 1.00 0.00 C ATOM 475 CD1 LEU A 58 9.208 -10.384 -6.136 1.00 0.00 C ATOM 476 CD2 LEU A 58 9.007 -7.942 -5.708 1.00 0.00 C ATOM 0 H LEU A 58 5.910 -10.574 -2.960 1.00 0.00 H new ATOM 0 HA LEU A 58 8.091 -8.800 -2.506 1.00 0.00 H new ATOM 0 HB2 LEU A 58 7.534 -10.725 -4.226 1.00 0.00 H new ATOM 0 HB3 LEU A 58 6.794 -9.433 -5.150 1.00 0.00 H new ATOM 0 HG LEU A 58 9.670 -9.335 -4.253 1.00 0.00 H new ATOM 0 HD11 LEU A 58 10.169 -10.180 -6.607 1.00 0.00 H new ATOM 0 HD12 LEU A 58 9.231 -11.374 -5.680 1.00 0.00 H new ATOM 0 HD13 LEU A 58 8.420 -10.349 -6.888 1.00 0.00 H new ATOM 0 HD21 LEU A 58 9.999 -7.794 -6.134 1.00 0.00 H new ATOM 0 HD22 LEU A 58 8.259 -7.871 -6.497 1.00 0.00 H new ATOM 0 HD23 LEU A 58 8.816 -7.175 -4.957 1.00 0.00 H new ATOM 477 N TRP A 59 5.338 -7.344 -3.383 1.00 0.00 N ATOM 478 CA TRP A 59 4.642 -6.103 -3.701 1.00 0.00 C ATOM 479 C TRP A 59 4.870 -5.705 -5.161 1.00 0.00 C ATOM 480 O TRP A 59 5.697 -4.851 -5.466 1.00 0.00 O ATOM 481 CB TRP A 59 4.937 -4.959 -2.710 1.00 0.00 C ATOM 482 CG TRP A 59 4.411 -5.085 -1.306 1.00 0.00 C ATOM 483 CD1 TRP A 59 5.114 -4.817 -0.179 1.00 0.00 C ATOM 484 CD2 TRP A 59 3.081 -5.485 -0.852 1.00 0.00 C ATOM 485 NE1 TRP A 59 4.315 -5.019 0.931 1.00 0.00 N ATOM 486 CE2 TRP A 59 3.080 -5.513 0.574 1.00 0.00 C ATOM 487 CE3 TRP A 59 1.874 -5.846 -1.491 1.00 0.00 C ATOM 488 CZ2 TRP A 59 1.976 -5.948 1.322 1.00 0.00 C ATOM 489 CZ3 TRP A 59 0.775 -6.320 -0.755 1.00 0.00 C ATOM 490 CH2 TRP A 59 0.832 -6.394 0.647 1.00 0.00 C ATOM 0 H TRP A 59 4.696 -8.111 -3.185 1.00 0.00 H new ATOM 0 HA TRP A 59 3.577 -6.299 -3.580 1.00 0.00 H new ATOM 0 HB2 TRP A 59 6.019 -4.839 -2.651 1.00 0.00 H new ATOM 0 HB3 TRP A 59 4.537 -4.038 -3.135 1.00 0.00 H new ATOM 0 HD1 TRP A 59 6.144 -4.494 -0.152 1.00 0.00 H new ATOM 0 HE1 TRP A 59 4.603 -4.827 1.890 1.00 0.00 H new ATOM 0 HE3 TRP A 59 1.795 -5.756 -2.564 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 2.007 -5.939 2.402 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 -0.121 -6.630 -1.271 1.00 0.00 H new ATOM 0 HH2 TRP A 59 -0.003 -6.793 1.203 1.00 0.00 H new ATOM 491 N ASP A 60 4.081 -6.307 -6.057 1.00 0.00 N ATOM 492 CA ASP A 60 3.869 -5.847 -7.420 1.00 0.00 C ATOM 493 C ASP A 60 2.436 -5.313 -7.517 1.00 0.00 C ATOM 494 O ASP A 60 1.655 -5.443 -6.571 1.00 0.00 O ATOM 495 CB ASP A 60 4.070 -7.015 -8.398 1.00 0.00 C ATOM 496 CG ASP A 60 2.787 -7.815 -8.564 1.00 0.00 C ATOM 497 OD1 ASP A 60 2.313 -8.359 -7.544 1.00 0.00 O ATOM 498 OD2 ASP A 60 2.227 -7.768 -9.679 1.00 0.00 O ATOM 0 H ASP A 60 3.558 -7.155 -5.839 1.00 0.00 H new ATOM 0 HA ASP A 60 4.580 -5.061 -7.676 1.00 0.00 H new ATOM 0 HB2 ASP A 60 4.391 -6.632 -9.366 1.00 0.00 H new ATOM 0 HB3 ASP A 60 4.864 -7.666 -8.033 1.00 0.00 H new ATOM 499 N GLU A 61 2.073 -4.751 -8.669 1.00 0.00 N ATOM 500 CA GLU A 61 0.729 -4.272 -8.952 1.00 0.00 C ATOM 501 C GLU A 61 -0.345 -5.332 -8.695 1.00 0.00 C ATOM 502 O GLU A 61 -1.388 -5.015 -8.125 1.00 0.00 O ATOM 503 CB GLU A 61 0.651 -3.760 -10.393 1.00 0.00 C ATOM 504 CG GLU A 61 1.635 -2.626 -10.680 1.00 0.00 C ATOM 505 CD GLU A 61 2.955 -3.115 -11.246 1.00 0.00 C ATOM 506 OE1 GLU A 61 3.765 -3.644 -10.457 1.00 0.00 O ATOM 507 OE2 GLU A 61 3.177 -2.898 -12.458 1.00 0.00 O ATOM 0 H GLU A 61 2.721 -4.615 -9.445 1.00 0.00 H new ATOM 0 HA GLU A 61 0.525 -3.453 -8.263 1.00 0.00 H new ATOM 0 HB2 GLU A 61 0.848 -4.586 -11.077 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -0.363 -3.413 -10.595 1.00 0.00 H new ATOM 0 HG2 GLU A 61 1.181 -1.928 -11.383 1.00 0.00 H new ATOM 0 HG3 GLU A 61 1.823 -2.074 -9.759 1.00 0.00 H new ATOM 508 N ASN A 62 -0.126 -6.574 -9.127 1.00 0.00 N ATOM 509 CA ASN A 62 -1.106 -7.640 -8.976 1.00 0.00 C ATOM 510 C ASN A 62 -1.359 -7.915 -7.492 1.00 0.00 C ATOM 511 O ASN A 62 -2.478 -7.745 -6.998 1.00 0.00 O ATOM 512 CB ASN A 62 -0.618 -8.887 -9.722 1.00 0.00 C ATOM 513 CG ASN A 62 -1.677 -9.979 -9.825 1.00 0.00 C ATOM 514 OD1 ASN A 62 -2.811 -9.818 -9.391 1.00 0.00 O ATOM 515 ND2 ASN A 62 -1.317 -11.104 -10.436 1.00 0.00 N ATOM 0 H ASN A 62 0.735 -6.865 -9.590 1.00 0.00 H new ATOM 0 HA ASN A 62 -2.058 -7.339 -9.413 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -0.301 -8.601 -10.725 1.00 0.00 H new ATOM 0 HB3 ASN A 62 0.259 -9.287 -9.213 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -1.992 -11.860 -10.553 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -0.366 -11.211 -10.788 1.00 0.00 H new ATOM 516 N ASN A 63 -0.302 -8.291 -6.765 1.00 0.00 N ATOM 517 CA ASN A 63 -0.379 -8.581 -5.340 1.00 0.00 C ATOM 518 C ASN A 63 -0.979 -7.391 -4.594 1.00 0.00 C ATOM 519 O ASN A 63 -1.899 -7.550 -3.787 1.00 0.00 O ATOM 520 CB ASN A 63 1.017 -8.886 -4.780 1.00 0.00 C ATOM 521 CG ASN A 63 1.609 -10.213 -5.257 1.00 0.00 C ATOM 522 OD1 ASN A 63 0.903 -11.199 -5.432 1.00 0.00 O ATOM 523 ND2 ASN A 63 2.927 -10.278 -5.416 1.00 0.00 N ATOM 0 H ASN A 63 0.634 -8.402 -7.156 1.00 0.00 H new ATOM 0 HA ASN A 63 -1.017 -9.454 -5.200 1.00 0.00 H new ATOM 0 HB2 ASN A 63 1.693 -8.078 -5.060 1.00 0.00 H new ATOM 0 HB3 ASN A 63 0.965 -8.895 -3.691 1.00 0.00 H new ATOM 0 HD21 ASN A 63 3.365 -11.158 -5.688 1.00 0.00 H new ATOM 0 HD22 ASN A 63 3.500 -9.448 -5.266 1.00 0.00 H new ATOM 524 N MET A 64 -0.453 -6.192 -4.855 1.00 0.00 N ATOM 525 CA MET A 64 -0.902 -4.996 -4.167 1.00 0.00 C ATOM 526 C MET A 64 -2.356 -4.679 -4.504 1.00 0.00 C ATOM 527 O MET A 64 -3.088 -4.238 -3.625 1.00 0.00 O ATOM 528 CB MET A 64 0.033 -3.814 -4.433 1.00 0.00 C ATOM 529 CG MET A 64 -0.246 -2.704 -3.409 1.00 0.00 C ATOM 530 SD MET A 64 0.820 -1.246 -3.459 1.00 0.00 S ATOM 531 CE MET A 64 2.447 -2.006 -3.277 1.00 0.00 C ATOM 0 H MET A 64 0.285 -6.031 -5.540 1.00 0.00 H new ATOM 0 HA MET A 64 -0.862 -5.188 -3.095 1.00 0.00 H new ATOM 0 HB2 MET A 64 1.072 -4.135 -4.364 1.00 0.00 H new ATOM 0 HB3 MET A 64 -0.118 -3.437 -5.445 1.00 0.00 H new ATOM 0 HG2 MET A 64 -1.276 -2.374 -3.541 1.00 0.00 H new ATOM 0 HG3 MET A 64 -0.176 -3.139 -2.412 1.00 0.00 H new ATOM 0 HE1 MET A 64 3.214 -1.231 -3.289 1.00 0.00 H new ATOM 0 HE2 MET A 64 2.492 -2.547 -2.332 1.00 0.00 H new ATOM 0 HE3 MET A 64 2.619 -2.700 -4.100 1.00 0.00 H new ATOM 532 N SER A 65 -2.795 -4.901 -5.747 1.00 0.00 N ATOM 533 CA SER A 65 -4.195 -4.724 -6.101 1.00 0.00 C ATOM 534 C SER A 65 -5.066 -5.607 -5.209 1.00 0.00 C ATOM 535 O SER A 65 -6.022 -5.114 -4.607 1.00 0.00 O ATOM 536 CB SER A 65 -4.443 -5.004 -7.591 1.00 0.00 C ATOM 537 OG SER A 65 -5.822 -4.864 -7.905 1.00 0.00 O ATOM 0 H SER A 65 -2.199 -5.202 -6.518 1.00 0.00 H new ATOM 0 HA SER A 65 -4.468 -3.682 -5.932 1.00 0.00 H new ATOM 0 HB2 SER A 65 -3.855 -4.316 -8.198 1.00 0.00 H new ATOM 0 HB3 SER A 65 -4.109 -6.012 -7.837 1.00 0.00 H new ATOM 0 HG SER A 65 -5.928 -4.758 -8.873 1.00 0.00 H new ATOM 538 N GLU A 66 -4.751 -6.903 -5.125 1.00 0.00 N ATOM 539 CA GLU A 66 -5.526 -7.821 -4.298 1.00 0.00 C ATOM 540 C GLU A 66 -5.543 -7.320 -2.855 1.00 0.00 C ATOM 541 O GLU A 66 -6.607 -7.148 -2.257 1.00 0.00 O ATOM 542 CB GLU A 66 -4.953 -9.240 -4.400 1.00 0.00 C ATOM 543 CG GLU A 66 -5.837 -10.297 -3.709 1.00 0.00 C ATOM 544 CD GLU A 66 -7.264 -10.405 -4.238 1.00 0.00 C ATOM 545 OE1 GLU A 66 -7.484 -10.042 -5.412 1.00 0.00 O ATOM 546 OE2 GLU A 66 -8.123 -10.835 -3.433 1.00 0.00 O ATOM 0 H GLU A 66 -3.969 -7.334 -5.618 1.00 0.00 H new ATOM 0 HA GLU A 66 -6.555 -7.858 -4.656 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -4.835 -9.504 -5.451 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -3.959 -9.258 -3.953 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -5.356 -11.270 -3.809 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -5.879 -10.071 -2.644 1.00 0.00 H new ATOM 547 N TYR A 67 -4.356 -7.036 -2.316 1.00 0.00 N ATOM 548 CA TYR A 67 -4.219 -6.478 -0.976 1.00 0.00 C ATOM 549 C TYR A 67 -5.140 -5.273 -0.775 1.00 0.00 C ATOM 550 O TYR A 67 -5.984 -5.290 0.112 1.00 0.00 O ATOM 551 CB TYR A 67 -2.758 -6.131 -0.690 1.00 0.00 C ATOM 552 CG TYR A 67 -2.517 -5.568 0.696 1.00 0.00 C ATOM 553 CD1 TYR A 67 -2.608 -6.409 1.815 1.00 0.00 C ATOM 554 CD2 TYR A 67 -2.268 -4.197 0.884 1.00 0.00 C ATOM 555 CE1 TYR A 67 -2.459 -5.893 3.111 1.00 0.00 C ATOM 556 CE2 TYR A 67 -2.217 -3.669 2.184 1.00 0.00 C ATOM 557 CZ TYR A 67 -2.340 -4.514 3.302 1.00 0.00 C ATOM 558 OH TYR A 67 -2.643 -4.012 4.531 1.00 0.00 O ATOM 0 H TYR A 67 -3.469 -7.187 -2.796 1.00 0.00 H new ATOM 0 HA TYR A 67 -4.530 -7.235 -0.256 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -2.151 -7.027 -0.817 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -2.416 -5.407 -1.429 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -2.795 -7.464 1.677 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -2.116 -3.552 0.031 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -2.436 -6.561 3.960 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -2.082 -2.607 2.327 1.00 0.00 H new ATOM 0 HH TYR A 67 -2.517 -3.040 4.528 1.00 0.00 H new ATOM 559 N LEU A 68 -5.022 -4.243 -1.611 1.00 0.00 N ATOM 560 CA LEU A 68 -5.898 -3.076 -1.570 1.00 0.00 C ATOM 561 C LEU A 68 -7.370 -3.469 -1.646 1.00 0.00 C ATOM 562 O LEU A 68 -8.202 -2.847 -0.990 1.00 0.00 O ATOM 563 CB LEU A 68 -5.550 -2.108 -2.703 1.00 0.00 C ATOM 564 CG LEU A 68 -4.662 -0.933 -2.282 1.00 0.00 C ATOM 565 CD1 LEU A 68 -3.478 -1.331 -1.400 1.00 0.00 C ATOM 566 CD2 LEU A 68 -4.124 -0.253 -3.543 1.00 0.00 C ATOM 0 H LEU A 68 -4.311 -4.196 -2.340 1.00 0.00 H new ATOM 0 HA LEU A 68 -5.737 -2.580 -0.613 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -5.047 -2.662 -3.496 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -6.475 -1.715 -3.126 1.00 0.00 H new ATOM 0 HG LEU A 68 -5.286 -0.267 -1.686 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -2.899 -0.443 -1.146 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -3.846 -1.799 -0.487 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -2.844 -2.035 -1.938 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -3.489 0.587 -3.261 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -3.542 -0.969 -4.123 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -4.958 0.109 -4.145 1.00 0.00 H new ATOM 567 N THR A 69 -7.711 -4.466 -2.462 1.00 0.00 N ATOM 568 CA THR A 69 -9.082 -4.939 -2.572 1.00 0.00 C ATOM 569 C THR A 69 -9.548 -5.577 -1.255 1.00 0.00 C ATOM 570 O THR A 69 -10.709 -5.411 -0.888 1.00 0.00 O ATOM 571 CB THR A 69 -9.234 -5.865 -3.789 1.00 0.00 C ATOM 572 OG1 THR A 69 -8.753 -5.203 -4.938 1.00 0.00 O ATOM 573 CG2 THR A 69 -10.699 -6.228 -4.049 1.00 0.00 C ATOM 0 H THR A 69 -7.048 -4.962 -3.058 1.00 0.00 H new ATOM 0 HA THR A 69 -9.744 -4.090 -2.745 1.00 0.00 H new ATOM 0 HB THR A 69 -8.671 -6.775 -3.579 1.00 0.00 H new ATOM 0 HG1 THR A 69 -7.774 -5.244 -4.953 1.00 0.00 H new ATOM 0 HG21 THR A 69 -10.763 -6.884 -4.917 1.00 0.00 H new ATOM 0 HG22 THR A 69 -11.107 -6.740 -3.177 1.00 0.00 H new ATOM 0 HG23 THR A 69 -11.271 -5.320 -4.237 1.00 0.00 H new ATOM 574 N ASN A 70 -8.681 -6.314 -0.545 1.00 0.00 N ATOM 575 CA ASN A 70 -9.041 -6.982 0.708 1.00 0.00 C ATOM 576 C ASN A 70 -7.820 -7.255 1.612 1.00 0.00 C ATOM 577 O ASN A 70 -7.332 -8.385 1.675 1.00 0.00 O ATOM 578 CB ASN A 70 -9.889 -8.244 0.448 1.00 0.00 C ATOM 579 CG ASN A 70 -9.281 -9.291 -0.489 1.00 0.00 C ATOM 580 OD1 ASN A 70 -9.050 -10.432 -0.101 1.00 0.00 O ATOM 581 ND2 ASN A 70 -9.126 -8.976 -1.766 1.00 0.00 N ATOM 0 H ASN A 70 -7.712 -6.462 -0.826 1.00 0.00 H new ATOM 0 HA ASN A 70 -9.667 -6.290 1.271 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -10.094 -8.721 1.406 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -10.848 -7.932 0.035 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -8.813 -9.683 -2.431 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -9.319 -8.026 -2.084 1.00 0.00 H new ATOM 582 N PRO A 71 -7.343 -6.244 2.365 1.00 0.00 N ATOM 583 CA PRO A 71 -6.040 -6.303 3.021 1.00 0.00 C ATOM 584 C PRO A 71 -5.997 -7.345 4.137 1.00 0.00 C ATOM 585 O PRO A 71 -5.143 -8.227 4.136 1.00 0.00 O ATOM 586 CB PRO A 71 -5.730 -4.880 3.511 1.00 0.00 C ATOM 587 CG PRO A 71 -7.050 -4.115 3.427 1.00 0.00 C ATOM 588 CD PRO A 71 -7.926 -4.912 2.461 1.00 0.00 C ATOM 0 HA PRO A 71 -5.270 -6.633 2.324 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -5.349 -4.892 4.532 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -4.966 -4.411 2.891 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -7.520 -4.035 4.407 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -6.892 -3.099 3.066 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -8.953 -4.965 2.824 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -7.958 -4.433 1.483 1.00 0.00 H new ATOM 601 N LYS A 73 -7.579 -9.923 4.596 1.00 0.00 N ATOM 602 CA LYS A 73 -7.754 -11.266 4.087 1.00 0.00 C ATOM 603 C LYS A 73 -6.446 -11.688 3.434 1.00 0.00 C ATOM 604 O LYS A 73 -5.932 -12.776 3.683 1.00 0.00 O ATOM 605 CB LYS A 73 -8.899 -11.215 3.079 1.00 0.00 C ATOM 606 CG LYS A 73 -9.238 -12.571 2.457 1.00 0.00 C ATOM 607 CD LYS A 73 -10.582 -12.448 1.724 1.00 0.00 C ATOM 608 CE LYS A 73 -10.678 -13.339 0.480 1.00 0.00 C ATOM 609 NZ LYS A 73 -9.717 -12.950 -0.579 1.00 0.00 N ATOM 0 HA LYS A 73 -7.997 -11.989 4.866 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -9.787 -10.820 3.572 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -8.639 -10.516 2.284 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -8.455 -12.876 1.763 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -9.296 -13.338 3.229 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -11.388 -12.707 2.411 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -10.734 -11.409 1.431 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -10.497 -14.375 0.766 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -11.691 -13.290 0.081 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -10.051 -13.304 -1.498 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -9.640 -11.913 -0.615 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -8.784 -13.359 -0.369 1.00 0.00 H new ATOM 610 N TYR A 74 -5.923 -10.813 2.574 1.00 0.00 N ATOM 611 CA TYR A 74 -4.702 -11.081 1.837 1.00 0.00 C ATOM 612 C TYR A 74 -3.506 -11.257 2.783 1.00 0.00 C ATOM 613 O TYR A 74 -2.699 -12.167 2.590 1.00 0.00 O ATOM 614 CB TYR A 74 -4.484 -9.967 0.815 1.00 0.00 C ATOM 615 CG TYR A 74 -3.409 -10.279 -0.202 1.00 0.00 C ATOM 616 CD1 TYR A 74 -3.705 -11.145 -1.270 1.00 0.00 C ATOM 617 CD2 TYR A 74 -2.112 -9.755 -0.068 1.00 0.00 C ATOM 618 CE1 TYR A 74 -2.717 -11.458 -2.215 1.00 0.00 C ATOM 619 CE2 TYR A 74 -1.139 -10.030 -1.041 1.00 0.00 C ATOM 620 CZ TYR A 74 -1.435 -10.903 -2.100 1.00 0.00 C ATOM 621 OH TYR A 74 -0.452 -11.325 -2.936 1.00 0.00 O ATOM 0 H TYR A 74 -6.338 -9.903 2.374 1.00 0.00 H new ATOM 0 HA TYR A 74 -4.797 -12.025 1.300 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -5.422 -9.776 0.293 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -4.219 -9.050 1.341 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -4.694 -11.569 -1.362 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -1.864 -9.140 0.785 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -2.944 -12.127 -3.032 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -0.164 -9.571 -0.975 1.00 0.00 H new ATOM 0 HH TYR A 74 -0.593 -10.941 -3.827 1.00 0.00 H new ATOM 622 N ILE A 75 -3.404 -10.411 3.815 1.00 0.00 N ATOM 623 CA ILE A 75 -2.439 -10.574 4.904 1.00 0.00 C ATOM 624 C ILE A 75 -3.235 -10.986 6.147 1.00 0.00 C ATOM 625 O ILE A 75 -4.010 -10.173 6.651 1.00 0.00 O ATOM 626 CB ILE A 75 -1.635 -9.282 5.154 1.00 0.00 C ATOM 627 CG1 ILE A 75 -0.870 -8.784 3.913 1.00 0.00 C ATOM 628 CG2 ILE A 75 -0.664 -9.446 6.339 1.00 0.00 C ATOM 629 CD1 ILE A 75 0.229 -9.710 3.390 1.00 0.00 C ATOM 0 H ILE A 75 -3.996 -9.587 3.917 1.00 0.00 H new ATOM 0 HA ILE A 75 -1.703 -11.336 4.647 1.00 0.00 H new ATOM 0 HB ILE A 75 -2.377 -8.521 5.397 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -1.588 -8.615 3.111 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -0.423 -7.818 4.149 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -0.113 -8.518 6.489 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -1.228 -9.683 7.241 1.00 0.00 H new ATOM 0 HG23 ILE A 75 0.036 -10.254 6.126 1.00 0.00 H new ATOM 0 HD11 ILE A 75 0.699 -9.259 2.516 1.00 0.00 H new ATOM 0 HD12 ILE A 75 0.978 -9.861 4.167 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -0.206 -10.670 3.113 1.00 0.00 H new ATOM 630 N PRO A 76 -3.073 -12.216 6.665 1.00 0.00 N ATOM 631 CA PRO A 76 -3.858 -12.712 7.787 1.00 0.00 C ATOM 632 C PRO A 76 -3.329 -12.130 9.104 1.00 0.00 C ATOM 633 O PRO A 76 -2.826 -12.857 9.957 1.00 0.00 O ATOM 634 CB PRO A 76 -3.725 -14.237 7.706 1.00 0.00 C ATOM 635 CG PRO A 76 -2.313 -14.423 7.150 1.00 0.00 C ATOM 636 CD PRO A 76 -2.176 -13.252 6.175 1.00 0.00 C ATOM 0 HA PRO A 76 -4.906 -12.415 7.749 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -3.840 -14.706 8.683 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -4.479 -14.675 7.052 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -1.560 -14.384 7.937 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -2.199 -15.383 6.647 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -1.148 -12.893 6.139 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -2.444 -13.554 5.163 1.00 0.00 H new ATOM 637 N GLY A 77 -3.440 -10.809 9.261 1.00 0.00 N ATOM 638 CA GLY A 77 -2.978 -10.072 10.428 1.00 0.00 C ATOM 639 C GLY A 77 -2.219 -8.816 10.006 1.00 0.00 C ATOM 640 O GLY A 77 -1.092 -8.594 10.443 1.00 0.00 O ATOM 0 H GLY A 77 -3.867 -10.209 8.555 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -3.829 -9.797 11.051 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -2.332 -10.707 11.034 1.00 0.00 H new ATOM 641 N THR A 78 -2.843 -7.986 9.168 1.00 0.00 N ATOM 642 CA THR A 78 -2.387 -6.626 8.917 1.00 0.00 C ATOM 643 C THR A 78 -3.129 -5.719 9.898 1.00 0.00 C ATOM 644 O THR A 78 -4.327 -5.892 10.123 1.00 0.00 O ATOM 645 CB THR A 78 -2.594 -6.229 7.441 1.00 0.00 C ATOM 646 OG1 THR A 78 -2.441 -4.841 7.246 1.00 0.00 O ATOM 647 CG2 THR A 78 -3.969 -6.607 6.902 1.00 0.00 C ATOM 0 H THR A 78 -3.680 -8.243 8.645 1.00 0.00 H new ATOM 0 HA THR A 78 -1.314 -6.530 9.081 1.00 0.00 H new ATOM 0 HB THR A 78 -1.828 -6.786 6.901 1.00 0.00 H new ATOM 0 HG1 THR A 78 -2.521 -4.634 6.291 1.00 0.00 H new ATOM 0 HG21 THR A 78 -4.048 -6.300 5.859 1.00 0.00 H new ATOM 0 HG22 THR A 78 -4.104 -7.686 6.973 1.00 0.00 H new ATOM 0 HG23 THR A 78 -4.740 -6.106 7.488 1.00 0.00 H new ATOM 648 N LYS A 79 -2.409 -4.773 10.501 1.00 0.00 N ATOM 649 CA LYS A 79 -2.961 -3.724 11.350 1.00 0.00 C ATOM 650 C LYS A 79 -4.086 -2.994 10.601 1.00 0.00 C ATOM 651 O LYS A 79 -5.122 -2.652 11.170 1.00 0.00 O ATOM 652 CB LYS A 79 -1.793 -2.780 11.666 1.00 0.00 C ATOM 653 CG LYS A 79 -1.977 -1.746 12.782 1.00 0.00 C ATOM 654 CD LYS A 79 -3.269 -0.916 12.780 1.00 0.00 C ATOM 655 CE LYS A 79 -3.124 0.292 13.718 1.00 0.00 C ATOM 656 NZ LYS A 79 -4.357 1.104 13.776 1.00 0.00 N ATOM 0 H LYS A 79 -1.395 -4.716 10.408 1.00 0.00 H new ATOM 0 HA LYS A 79 -3.394 -4.119 12.269 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -0.929 -3.394 11.920 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -1.544 -2.242 10.752 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -1.915 -2.268 13.737 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -1.135 -1.055 12.742 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -3.490 -0.576 11.768 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -4.108 -1.535 13.099 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -2.873 -0.056 14.720 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -2.296 0.915 13.380 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -4.213 1.908 14.420 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -4.584 1.459 12.825 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -5.143 0.518 14.123 1.00 0.00 H new ATOM 657 N ALA A 80 -3.819 -2.699 9.329 1.00 0.00 N ATOM 658 CA ALA A 80 -4.681 -1.979 8.402 1.00 0.00 C ATOM 659 C ALA A 80 -6.167 -2.333 8.530 1.00 0.00 C ATOM 660 O ALA A 80 -6.557 -3.496 8.441 1.00 0.00 O ATOM 661 CB ALA A 80 -4.230 -2.248 6.967 1.00 0.00 C ATOM 0 H ALA A 80 -2.939 -2.976 8.895 1.00 0.00 H new ATOM 0 HA ALA A 80 -4.585 -0.924 8.658 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -4.877 -1.708 6.275 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -3.201 -1.911 6.840 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -4.290 -3.317 6.761 1.00 0.00 H new ATOM 662 N ALA A 81 -7.003 -1.303 8.672 1.00 0.00 N ATOM 663 CA ALA A 81 -8.450 -1.421 8.685 1.00 0.00 C ATOM 664 C ALA A 81 -9.038 -0.250 7.901 1.00 0.00 C ATOM 665 O ALA A 81 -9.294 0.806 8.473 1.00 0.00 O ATOM 666 CB ALA A 81 -8.947 -1.460 10.135 1.00 0.00 C ATOM 0 H ALA A 81 -6.678 -0.343 8.783 1.00 0.00 H new ATOM 0 HA ALA A 81 -8.773 -2.347 8.209 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -10.033 -1.549 10.145 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -8.508 -2.316 10.647 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -8.653 -0.543 10.645 1.00 0.00 H new ATOM 667 N PHE A 82 -9.236 -0.432 6.592 1.00 0.00 N ATOM 668 CA PHE A 82 -9.916 0.532 5.741 1.00 0.00 C ATOM 669 C PHE A 82 -10.817 -0.227 4.759 1.00 0.00 C ATOM 670 O PHE A 82 -10.707 -1.448 4.630 1.00 0.00 O ATOM 671 CB PHE A 82 -8.900 1.475 5.064 1.00 0.00 C ATOM 672 CG PHE A 82 -8.488 1.110 3.648 1.00 0.00 C ATOM 673 CD1 PHE A 82 -7.415 0.230 3.409 1.00 0.00 C ATOM 674 CD2 PHE A 82 -9.198 1.649 2.559 1.00 0.00 C ATOM 675 CE1 PHE A 82 -7.111 -0.166 2.093 1.00 0.00 C ATOM 676 CE2 PHE A 82 -8.908 1.233 1.251 1.00 0.00 C ATOM 677 CZ PHE A 82 -7.889 0.299 1.018 1.00 0.00 C ATOM 0 H PHE A 82 -8.922 -1.265 6.094 1.00 0.00 H new ATOM 0 HA PHE A 82 -10.559 1.185 6.331 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -9.322 2.480 5.050 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -8.003 1.514 5.683 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -6.826 -0.141 4.235 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -9.969 2.386 2.731 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -6.278 -0.829 1.908 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -9.471 1.633 0.421 1.00 0.00 H new ATOM 0 HZ PHE A 82 -7.702 -0.062 0.017 1.00 0.00 H new ATOM 678 N GLY A 83 -11.739 0.487 4.110 1.00 0.00 N ATOM 679 CA GLY A 83 -12.686 -0.085 3.167 1.00 0.00 C ATOM 680 C GLY A 83 -12.000 -0.473 1.858 1.00 0.00 C ATOM 681 O GLY A 83 -11.822 0.376 0.987 1.00 0.00 O ATOM 0 H GLY A 83 -11.845 1.494 4.231 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -13.156 -0.964 3.608 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -13.480 0.634 2.965 1.00 0.00 H new ATOM 682 N GLY A 84 -11.638 -1.756 1.737 1.00 0.00 N ATOM 683 CA GLY A 84 -11.028 -2.378 0.565 1.00 0.00 C ATOM 684 C GLY A 84 -11.475 -1.779 -0.778 1.00 0.00 C ATOM 685 O GLY A 84 -12.670 -1.607 -1.030 1.00 0.00 O ATOM 0 H GLY A 84 -11.772 -2.421 2.499 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -9.944 -2.290 0.645 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -11.263 -3.442 0.570 1.00 0.00 H new ATOM 686 N LEU A 85 -10.516 -1.465 -1.656 1.00 0.00 N ATOM 687 CA LEU A 85 -10.747 -0.790 -2.929 1.00 0.00 C ATOM 688 C LEU A 85 -11.520 -1.664 -3.925 1.00 0.00 C ATOM 689 O LEU A 85 -10.951 -2.230 -4.865 1.00 0.00 O ATOM 690 CB LEU A 85 -9.420 -0.330 -3.548 1.00 0.00 C ATOM 691 CG LEU A 85 -8.712 0.864 -2.898 1.00 0.00 C ATOM 692 CD1 LEU A 85 -7.647 1.362 -3.881 1.00 0.00 C ATOM 693 CD2 LEU A 85 -9.638 2.028 -2.533 1.00 0.00 C ATOM 0 H LEU A 85 -9.533 -1.681 -1.492 1.00 0.00 H new ATOM 0 HA LEU A 85 -11.365 0.082 -2.714 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -8.732 -1.176 -3.536 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -9.604 -0.083 -4.594 1.00 0.00 H new ATOM 0 HG LEU A 85 -8.289 0.515 -1.956 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -7.123 2.214 -3.448 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -6.935 0.562 -4.082 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -8.125 1.665 -4.813 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -9.054 2.829 -2.079 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -10.126 2.401 -3.433 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -10.393 1.684 -1.826 1.00 0.00 H new ATOM 694 N LYS A 86 -12.845 -1.693 -3.769 1.00 0.00 N ATOM 695 CA LYS A 86 -13.772 -2.265 -4.732 1.00 0.00 C ATOM 696 C LYS A 86 -13.517 -1.701 -6.131 1.00 0.00 C ATOM 697 O LYS A 86 -13.392 -2.465 -7.087 1.00 0.00 O ATOM 698 CB LYS A 86 -15.221 -1.990 -4.289 1.00 0.00 C ATOM 699 CG LYS A 86 -15.846 -3.195 -3.576 1.00 0.00 C ATOM 700 CD LYS A 86 -16.282 -4.258 -4.600 1.00 0.00 C ATOM 701 CE LYS A 86 -16.875 -5.488 -3.897 1.00 0.00 C ATOM 702 NZ LYS A 86 -17.306 -6.523 -4.862 1.00 0.00 N ATOM 0 H LYS A 86 -13.309 -1.308 -2.946 1.00 0.00 H new ATOM 0 HA LYS A 86 -13.615 -3.343 -4.773 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -15.238 -1.127 -3.624 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -15.823 -1.733 -5.160 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -15.127 -3.626 -2.879 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -16.706 -2.872 -2.989 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -17.020 -3.832 -5.280 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -15.426 -4.558 -5.205 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -16.134 -5.911 -3.219 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -17.726 -5.183 -3.288 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -17.700 -7.336 -4.346 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -18.032 -6.128 -5.493 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -16.489 -6.834 -5.426 1.00 0.00 H new ATOM 703 N LYS A 87 -13.459 -0.371 -6.255 1.00 0.00 N ATOM 704 CA LYS A 87 -13.369 0.289 -7.544 1.00 0.00 C ATOM 705 C LYS A 87 -12.008 0.062 -8.212 1.00 0.00 C ATOM 706 O LYS A 87 -11.133 0.928 -8.179 1.00 0.00 O ATOM 707 CB LYS A 87 -13.680 1.781 -7.422 1.00 0.00 C ATOM 708 CG LYS A 87 -15.089 2.076 -6.881 1.00 0.00 C ATOM 709 CD LYS A 87 -15.427 3.570 -7.038 1.00 0.00 C ATOM 710 CE LYS A 87 -15.934 3.951 -8.439 1.00 0.00 C ATOM 711 NZ LYS A 87 -17.333 3.529 -8.670 1.00 0.00 N ATOM 0 H LYS A 87 -13.474 0.269 -5.461 1.00 0.00 H new ATOM 0 HA LYS A 87 -14.123 -0.163 -8.189 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -12.944 2.244 -6.765 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -13.571 2.247 -8.401 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -15.823 1.473 -7.415 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -15.148 1.793 -5.830 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -16.185 3.840 -6.302 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -14.538 4.159 -6.811 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -15.858 5.031 -8.568 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -15.291 3.494 -9.191 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -17.626 3.809 -9.628 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -17.404 2.496 -8.574 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -17.953 3.985 -7.971 1.00 0.00 H new ATOM 712 N GLU A 88 -11.890 -1.082 -8.890 1.00 0.00 N ATOM 713 CA GLU A 88 -10.879 -1.389 -9.894 1.00 0.00 C ATOM 714 C GLU A 88 -10.488 -0.133 -10.686 1.00 0.00 C ATOM 715 O GLU A 88 -9.309 0.194 -10.802 1.00 0.00 O ATOM 716 CB GLU A 88 -11.435 -2.512 -10.787 1.00 0.00 C ATOM 717 CG GLU A 88 -10.474 -2.956 -11.899 1.00 0.00 C ATOM 718 CD GLU A 88 -10.577 -2.067 -13.131 1.00 0.00 C ATOM 719 OE1 GLU A 88 -11.636 -2.139 -13.790 1.00 0.00 O ATOM 720 OE2 GLU A 88 -9.626 -1.289 -13.360 1.00 0.00 O ATOM 0 H GLU A 88 -12.534 -1.859 -8.742 1.00 0.00 H new ATOM 0 HA GLU A 88 -9.957 -1.733 -9.425 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -11.676 -3.373 -10.163 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -12.368 -2.175 -11.239 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -9.451 -2.937 -11.523 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -10.693 -3.987 -12.177 1.00 0.00 H new ATOM 721 N LYS A 89 -11.501 0.589 -11.174 1.00 0.00 N ATOM 722 CA LYS A 89 -11.346 1.730 -12.066 1.00 0.00 C ATOM 723 C LYS A 89 -10.410 2.791 -11.484 1.00 0.00 C ATOM 724 O LYS A 89 -9.644 3.423 -12.204 1.00 0.00 O ATOM 725 CB LYS A 89 -12.716 2.323 -12.388 1.00 0.00 C ATOM 726 CG LYS A 89 -13.326 1.760 -13.686 1.00 0.00 C ATOM 727 CD LYS A 89 -13.721 0.278 -13.571 1.00 0.00 C ATOM 728 CE LYS A 89 -13.760 -0.450 -14.922 1.00 0.00 C ATOM 729 NZ LYS A 89 -14.767 0.097 -15.851 1.00 0.00 N ATOM 0 H LYS A 89 -12.475 0.386 -10.950 1.00 0.00 H new ATOM 0 HA LYS A 89 -10.884 1.378 -12.988 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -13.395 2.126 -11.559 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -12.626 3.406 -12.475 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -14.206 2.345 -13.951 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -12.609 1.877 -14.499 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -13.014 -0.229 -12.914 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -14.701 0.207 -13.100 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -12.776 -0.390 -15.387 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -13.969 -1.506 -14.752 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -14.743 -0.437 -16.743 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -15.712 0.017 -15.425 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -14.557 1.098 -16.041 1.00 0.00 H new ATOM 730 N ASP A 90 -10.534 3.022 -10.181 1.00 0.00 N ATOM 731 CA ASP A 90 -9.720 3.964 -9.432 1.00 0.00 C ATOM 732 C ASP A 90 -8.416 3.320 -8.977 1.00 0.00 C ATOM 733 O ASP A 90 -7.342 3.907 -9.098 1.00 0.00 O ATOM 734 CB ASP A 90 -10.535 4.454 -8.237 1.00 0.00 C ATOM 735 CG ASP A 90 -11.555 5.506 -8.647 1.00 0.00 C ATOM 736 OD1 ASP A 90 -11.118 6.493 -9.283 1.00 0.00 O ATOM 737 OD2 ASP A 90 -12.750 5.292 -8.348 1.00 0.00 O ATOM 0 H ASP A 90 -11.225 2.543 -9.603 1.00 0.00 H new ATOM 0 HA ASP A 90 -9.452 4.808 -10.068 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -11.048 3.610 -7.775 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -9.865 4.870 -7.485 1.00 0.00 H new ATOM 738 N ARG A 91 -8.523 2.108 -8.432 1.00 0.00 N ATOM 739 CA ARG A 91 -7.387 1.292 -8.027 1.00 0.00 C ATOM 740 C ARG A 91 -6.295 1.289 -9.091 1.00 0.00 C ATOM 741 O ARG A 91 -5.143 1.555 -8.774 1.00 0.00 O ATOM 742 CB ARG A 91 -7.875 -0.117 -7.699 1.00 0.00 C ATOM 743 CG ARG A 91 -6.784 -1.096 -7.273 1.00 0.00 C ATOM 744 CD ARG A 91 -7.232 -2.093 -6.190 1.00 0.00 C ATOM 745 NE ARG A 91 -8.632 -2.525 -6.307 1.00 0.00 N ATOM 746 CZ ARG A 91 -9.140 -3.381 -7.201 1.00 0.00 C ATOM 747 NH1 ARG A 91 -8.359 -3.973 -8.113 1.00 0.00 N ATOM 748 NH2 ARG A 91 -10.455 -3.614 -7.161 1.00 0.00 N ATOM 0 H ARG A 91 -9.423 1.660 -8.258 1.00 0.00 H new ATOM 0 HA ARG A 91 -6.936 1.721 -7.132 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -8.615 -0.052 -6.902 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -8.384 -0.522 -8.574 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -6.446 -1.652 -8.148 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -5.928 -0.532 -6.903 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -6.588 -2.972 -6.233 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -7.085 -1.638 -5.211 1.00 0.00 H new ATOM 0 HE ARG A 91 -9.288 -2.129 -5.633 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -7.359 -3.774 -8.134 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -8.764 -4.623 -8.787 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -11.035 -3.145 -6.465 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -10.879 -4.260 -7.826 1.00 0.00 H new ATOM 749 N ASN A 92 -6.640 0.997 -10.342 1.00 0.00 N ATOM 750 CA ASN A 92 -5.647 0.971 -11.417 1.00 0.00 C ATOM 751 C ASN A 92 -4.851 2.287 -11.520 1.00 0.00 C ATOM 752 O ASN A 92 -3.616 2.256 -11.548 1.00 0.00 O ATOM 753 CB ASN A 92 -6.235 0.479 -12.752 1.00 0.00 C ATOM 754 CG ASN A 92 -7.171 1.462 -13.448 1.00 0.00 C ATOM 755 OD1 ASN A 92 -6.762 2.549 -13.835 1.00 0.00 O ATOM 756 ND2 ASN A 92 -8.428 1.098 -13.657 1.00 0.00 N ATOM 0 H ASN A 92 -7.591 0.776 -10.637 1.00 0.00 H new ATOM 0 HA ASN A 92 -4.906 0.219 -11.145 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -5.413 0.243 -13.428 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -6.777 -0.450 -12.572 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -9.066 1.726 -14.145 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -8.757 0.190 -13.330 1.00 0.00 H new ATOM 757 N ASP A 93 -5.531 3.441 -11.514 1.00 0.00 N ATOM 758 CA ASP A 93 -4.879 4.750 -11.531 1.00 0.00 C ATOM 759 C ASP A 93 -3.971 4.883 -10.312 1.00 0.00 C ATOM 760 O ASP A 93 -2.781 5.166 -10.427 1.00 0.00 O ATOM 761 CB ASP A 93 -5.897 5.893 -11.518 1.00 0.00 C ATOM 762 CG ASP A 93 -6.615 6.144 -12.832 1.00 0.00 C ATOM 763 OD1 ASP A 93 -5.923 6.271 -13.865 1.00 0.00 O ATOM 764 OD2 ASP A 93 -7.854 6.299 -12.760 1.00 0.00 O ATOM 0 H ASP A 93 -6.550 3.490 -11.497 1.00 0.00 H new ATOM 0 HA ASP A 93 -4.299 4.819 -12.452 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -6.643 5.683 -10.751 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -5.385 6.809 -11.223 1.00 0.00 H new ATOM 765 N LEU A 94 -4.554 4.685 -9.128 1.00 0.00 N ATOM 766 CA LEU A 94 -3.852 4.762 -7.854 1.00 0.00 C ATOM 767 C LEU A 94 -2.563 3.934 -7.895 1.00 0.00 C ATOM 768 O LEU A 94 -1.483 4.467 -7.657 1.00 0.00 O ATOM 769 CB LEU A 94 -4.832 4.371 -6.739 1.00 0.00 C ATOM 770 CG LEU A 94 -4.227 4.104 -5.355 1.00 0.00 C ATOM 771 CD1 LEU A 94 -3.214 5.147 -4.889 1.00 0.00 C ATOM 772 CD2 LEU A 94 -5.339 4.119 -4.317 1.00 0.00 C ATOM 0 H LEU A 94 -5.545 4.463 -9.031 1.00 0.00 H new ATOM 0 HA LEU A 94 -3.517 5.778 -7.644 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -5.571 5.167 -6.640 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -5.368 3.476 -7.055 1.00 0.00 H new ATOM 0 HG LEU A 94 -3.716 3.146 -5.449 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -2.840 4.876 -3.902 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -2.383 5.187 -5.593 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -3.695 6.124 -4.839 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -4.918 3.930 -3.330 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -5.828 5.093 -4.322 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -6.069 3.345 -4.554 1.00 0.00 H new ATOM 773 N ILE A 95 -2.651 2.650 -8.237 1.00 0.00 N ATOM 774 CA ILE A 95 -1.489 1.782 -8.337 1.00 0.00 C ATOM 775 C ILE A 95 -0.463 2.378 -9.302 1.00 0.00 C ATOM 776 O ILE A 95 0.712 2.460 -8.958 1.00 0.00 O ATOM 777 CB ILE A 95 -1.906 0.363 -8.752 1.00 0.00 C ATOM 778 CG1 ILE A 95 -2.807 -0.299 -7.689 1.00 0.00 C ATOM 779 CG2 ILE A 95 -0.631 -0.473 -8.947 1.00 0.00 C ATOM 780 CD1 ILE A 95 -3.584 -1.475 -8.283 1.00 0.00 C ATOM 0 H ILE A 95 -3.533 2.186 -8.452 1.00 0.00 H new ATOM 0 HA ILE A 95 -1.018 1.708 -7.357 1.00 0.00 H new ATOM 0 HB ILE A 95 -2.480 0.418 -9.677 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -2.197 -0.646 -6.855 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -3.504 0.437 -7.289 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -0.902 -1.487 -9.243 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -0.015 -0.021 -9.724 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -0.071 -0.505 -8.013 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -4.211 -1.923 -7.512 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -4.212 -1.121 -9.101 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -2.884 -2.220 -8.660 1.00 0.00 H new ATOM 781 N THR A 96 -0.890 2.797 -10.497 1.00 0.00 N ATOM 782 CA THR A 96 0.015 3.402 -11.473 1.00 0.00 C ATOM 783 C THR A 96 0.767 4.584 -10.859 1.00 0.00 C ATOM 784 O THR A 96 1.993 4.677 -10.957 1.00 0.00 O ATOM 785 CB THR A 96 -0.780 3.845 -12.709 1.00 0.00 C ATOM 786 OG1 THR A 96 -1.479 2.734 -13.230 1.00 0.00 O ATOM 787 CG2 THR A 96 0.140 4.438 -13.777 1.00 0.00 C ATOM 0 H THR A 96 -1.858 2.727 -10.810 1.00 0.00 H new ATOM 0 HA THR A 96 0.754 2.660 -11.775 1.00 0.00 H new ATOM 0 HB THR A 96 -1.485 4.622 -12.413 1.00 0.00 H new ATOM 0 HG1 THR A 96 -2.228 2.512 -12.639 1.00 0.00 H new ATOM 0 HG21 THR A 96 -0.453 4.742 -14.640 1.00 0.00 H new ATOM 0 HG22 THR A 96 0.659 5.305 -13.369 1.00 0.00 H new ATOM 0 HG23 THR A 96 0.870 3.690 -14.084 1.00 0.00 H new ATOM 788 N TYR A 97 0.027 5.497 -10.232 1.00 0.00 N ATOM 789 CA TYR A 97 0.617 6.636 -9.557 1.00 0.00 C ATOM 790 C TYR A 97 1.639 6.156 -8.524 1.00 0.00 C ATOM 791 O TYR A 97 2.777 6.620 -8.522 1.00 0.00 O ATOM 792 CB TYR A 97 -0.490 7.483 -8.919 1.00 0.00 C ATOM 793 CG TYR A 97 0.004 8.490 -7.903 1.00 0.00 C ATOM 794 CD1 TYR A 97 0.704 9.631 -8.331 1.00 0.00 C ATOM 795 CD2 TYR A 97 -0.144 8.233 -6.527 1.00 0.00 C ATOM 796 CE1 TYR A 97 1.240 10.524 -7.387 1.00 0.00 C ATOM 797 CE2 TYR A 97 0.379 9.134 -5.584 1.00 0.00 C ATOM 798 CZ TYR A 97 1.073 10.277 -6.013 1.00 0.00 C ATOM 799 OH TYR A 97 1.541 11.167 -5.094 1.00 0.00 O ATOM 0 H TYR A 97 -0.991 5.463 -10.181 1.00 0.00 H new ATOM 0 HA TYR A 97 1.146 7.263 -10.274 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -1.026 8.012 -9.707 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -1.207 6.819 -8.436 1.00 0.00 H new ATOM 0 HD1 TYR A 97 0.830 9.822 -9.386 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -0.659 7.343 -6.196 1.00 0.00 H new ATOM 0 HE1 TYR A 97 1.780 11.399 -7.717 1.00 0.00 H new ATOM 0 HE2 TYR A 97 0.247 8.947 -4.528 1.00 0.00 H new ATOM 0 HH TYR A 97 0.978 11.136 -4.293 1.00 0.00 H new ATOM 800 N LEU A 98 1.236 5.229 -7.652 1.00 0.00 N ATOM 801 CA LEU A 98 2.069 4.744 -6.559 1.00 0.00 C ATOM 802 C LEU A 98 3.370 4.147 -7.084 1.00 0.00 C ATOM 803 O LEU A 98 4.454 4.456 -6.589 1.00 0.00 O ATOM 804 CB LEU A 98 1.304 3.696 -5.733 1.00 0.00 C ATOM 805 CG LEU A 98 1.356 4.001 -4.225 1.00 0.00 C ATOM 806 CD1 LEU A 98 -0.053 4.258 -3.714 1.00 0.00 C ATOM 807 CD2 LEU A 98 1.946 2.849 -3.424 1.00 0.00 C ATOM 0 H LEU A 98 0.315 4.793 -7.688 1.00 0.00 H new ATOM 0 HA LEU A 98 2.316 5.592 -5.920 1.00 0.00 H new ATOM 0 HB2 LEU A 98 0.265 3.664 -6.061 1.00 0.00 H new ATOM 0 HB3 LEU A 98 1.727 2.709 -5.918 1.00 0.00 H new ATOM 0 HG LEU A 98 1.993 4.876 -4.094 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -0.019 4.474 -2.646 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -0.482 5.109 -4.243 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -0.669 3.375 -3.886 1.00 0.00 H new ATOM 0 HD21 LEU A 98 1.962 3.112 -2.366 1.00 0.00 H new ATOM 0 HD22 LEU A 98 1.337 1.957 -3.567 1.00 0.00 H new ATOM 0 HD23 LEU A 98 2.963 2.653 -3.764 1.00 0.00 H new ATOM 808 N LYS A 99 3.244 3.291 -8.097 1.00 0.00 N ATOM 809 CA LYS A 99 4.359 2.686 -8.791 1.00 0.00 C ATOM 810 C LYS A 99 5.395 3.746 -9.156 1.00 0.00 C ATOM 811 O LYS A 99 6.572 3.599 -8.824 1.00 0.00 O ATOM 812 CB LYS A 99 3.838 1.893 -9.998 1.00 0.00 C ATOM 813 CG LYS A 99 5.015 1.264 -10.751 1.00 0.00 C ATOM 814 CD LYS A 99 4.527 0.182 -11.721 1.00 0.00 C ATOM 815 CE LYS A 99 5.721 -0.556 -12.344 1.00 0.00 C ATOM 816 NZ LYS A 99 5.292 -1.664 -13.221 1.00 0.00 N ATOM 0 H LYS A 99 2.337 2.997 -8.460 1.00 0.00 H new ATOM 0 HA LYS A 99 4.873 1.977 -8.142 1.00 0.00 H new ATOM 0 HB2 LYS A 99 3.150 1.116 -9.665 1.00 0.00 H new ATOM 0 HB3 LYS A 99 3.278 2.551 -10.663 1.00 0.00 H new ATOM 0 HG2 LYS A 99 5.554 2.035 -11.301 1.00 0.00 H new ATOM 0 HG3 LYS A 99 5.717 0.830 -10.039 1.00 0.00 H new ATOM 0 HD2 LYS A 99 3.888 -0.527 -11.194 1.00 0.00 H new ATOM 0 HD3 LYS A 99 3.921 0.635 -12.506 1.00 0.00 H new ATOM 0 HE2 LYS A 99 6.323 0.148 -12.918 1.00 0.00 H new ATOM 0 HE3 LYS A 99 6.359 -0.947 -11.551 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 5.868 -2.507 -13.023 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 4.290 -1.880 -13.043 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 5.415 -1.387 -14.216 1.00 0.00 H new ATOM 817 N LYS A 100 4.964 4.831 -9.803 1.00 0.00 N ATOM 818 CA LYS A 100 5.887 5.888 -10.165 1.00 0.00 C ATOM 819 C LYS A 100 6.406 6.601 -8.928 1.00 0.00 C ATOM 820 O LYS A 100 7.567 6.975 -8.837 1.00 0.00 O ATOM 821 CB LYS A 100 5.203 6.906 -11.072 1.00 0.00 C ATOM 822 CG LYS A 100 6.309 7.442 -11.983 1.00 0.00 C ATOM 823 CD LYS A 100 5.870 8.639 -12.833 1.00 0.00 C ATOM 824 CE LYS A 100 5.039 8.214 -14.047 1.00 0.00 C ATOM 825 NZ LYS A 100 5.831 7.379 -14.975 1.00 0.00 N ATOM 0 H LYS A 100 3.996 4.992 -10.080 1.00 0.00 H new ATOM 0 HA LYS A 100 6.723 5.430 -10.693 1.00 0.00 H new ATOM 0 HB2 LYS A 100 4.405 6.442 -11.653 1.00 0.00 H new ATOM 0 HB3 LYS A 100 4.749 7.708 -10.491 1.00 0.00 H new ATOM 0 HG2 LYS A 100 7.163 7.733 -11.372 1.00 0.00 H new ATOM 0 HG3 LYS A 100 6.646 6.642 -12.642 1.00 0.00 H new ATOM 0 HD2 LYS A 100 5.287 9.325 -12.218 1.00 0.00 H new ATOM 0 HD3 LYS A 100 6.751 9.185 -13.171 1.00 0.00 H new ATOM 0 HE2 LYS A 100 4.162 7.659 -13.714 1.00 0.00 H new ATOM 0 HE3 LYS A 100 4.677 9.099 -14.570 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 5.386 7.387 -15.915 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 6.797 7.759 -15.046 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 5.868 6.403 -14.618 1.00 0.00 H new ATOM 826 N ALA A 101 5.519 6.839 -7.978 1.00 0.00 N ATOM 827 CA ALA A 101 5.888 7.498 -6.738 1.00 0.00 C ATOM 828 C ALA A 101 7.047 6.793 -6.020 1.00 0.00 C ATOM 829 O ALA A 101 7.895 7.447 -5.418 1.00 0.00 O ATOM 830 CB ALA A 101 4.663 7.636 -5.848 1.00 0.00 C ATOM 0 H ALA A 101 4.533 6.584 -8.043 1.00 0.00 H new ATOM 0 HA ALA A 101 6.257 8.495 -6.979 1.00 0.00 H new ATOM 0 HB1 ALA A 101 4.943 8.131 -4.918 1.00 0.00 H new ATOM 0 HB2 ALA A 101 3.906 8.229 -6.361 1.00 0.00 H new ATOM 0 HB3 ALA A 101 4.261 6.647 -5.626 1.00 0.00 H new ATOM 831 N SER A 102 7.092 5.460 -6.095 1.00 0.00 N ATOM 832 CA SER A 102 8.187 4.669 -5.539 1.00 0.00 C ATOM 833 C SER A 102 9.448 4.627 -6.421 1.00 0.00 C ATOM 834 O SER A 102 10.439 4.026 -6.006 1.00 0.00 O ATOM 835 CB SER A 102 7.682 3.258 -5.223 1.00 0.00 C ATOM 836 OG SER A 102 6.975 2.678 -6.301 1.00 0.00 O ATOM 0 H SER A 102 6.367 4.900 -6.544 1.00 0.00 H new ATOM 0 HA SER A 102 8.506 5.168 -4.624 1.00 0.00 H new ATOM 0 HB2 SER A 102 8.529 2.622 -4.965 1.00 0.00 H new ATOM 0 HB3 SER A 102 7.034 3.296 -4.347 1.00 0.00 H new ATOM 0 HG SER A 102 7.151 3.188 -7.119 1.00 0.00 H new ATOM 837 N GLU A 103 9.403 5.223 -7.613 1.00 0.00 N ATOM 838 CA GLU A 103 10.499 5.321 -8.572 1.00 0.00 C ATOM 839 C GLU A 103 11.473 6.389 -8.040 1.00 0.00 C ATOM 840 O GLU A 103 12.706 6.240 -8.176 1.00 0.00 O ATOM 841 CB GLU A 103 9.847 5.686 -9.925 1.00 0.00 C ATOM 842 CG GLU A 103 10.440 5.233 -11.263 1.00 0.00 C ATOM 843 CD GLU A 103 9.421 5.511 -12.377 1.00 0.00 C ATOM 844 OE1 GLU A 103 9.398 6.653 -12.890 1.00 0.00 O ATOM 845 OE2 GLU A 103 8.611 4.601 -12.665 1.00 0.00 O ATOM 846 OXT GLU A 103 10.992 7.358 -7.410 1.00 0.00 O ATOM 0 H GLU A 103 8.553 5.674 -7.952 1.00 0.00 H new ATOM 0 HA GLU A 103 11.073 4.404 -8.707 1.00 0.00 H new ATOM 0 HB2 GLU A 103 8.824 5.311 -9.892 1.00 0.00 H new ATOM 0 HB3 GLU A 103 9.786 6.774 -9.961 1.00 0.00 H new ATOM 0 HG2 GLU A 103 11.371 5.764 -11.462 1.00 0.00 H new ATOM 0 HG3 GLU A 103 10.681 4.170 -11.228 1.00 0.00 H new