USER MOD reduce.3.24.130724 H: found=0, std=0, add=846, 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 83 THR OG1 : rot 96:sc= 1.71 USER MOD Set 1.2: A 114 TYR OH : rot -37:sc= 1.79 USER MOD Set 2.1: A 76 SER OG : rot -170:sc= 0.301 USER MOD Set 2.2: A 78 THR OG1 : rot 92:sc= 0.405 USER MOD Set 3.1: A 66 THR OG1 : rot 180:sc= -1.21 USER MOD Set 3.2: A 67 MET CE :methyl 177:sc= -1.46 (180deg=-0.277) USER MOD Single : A 15 ASN : amide:sc= -5.12! C(o=-5.1!,f=-5.5!) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= -12.5! C(o=-12!,f=-21!) USER MOD Single : A 23 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0565) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 27 ASN : amide:sc= -0.984! C(o=-0.98!,f=-0.96!) USER MOD Single : A 29 HIS :FLIP no HD1:sc= -7.02! C(o=-8.4!,f=-7!) USER MOD Single : A 32 ASN : amide:sc= -0.0785 K(o=-0.079,f=-0.77) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=-0.1) USER MOD Single : A 41 HIS :FLIP no HD1:sc= -0.602 F(o=-1.7,f=-0.6) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 56 HIS : no HD1:sc= -0.145 X(o=-0.15,f=-0.36) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 SER OG : rot 180:sc= 0.0458 USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 81 GLN :FLIP amide:sc= 0 F(o=-0.78,f=0) USER MOD Single : A 82 GLN : amide:sc= -0.0146 X(o=-0.015,f=-0.21!) USER MOD Single : A 84 TYR OH : rot 104:sc= -0.53! USER MOD Single : A 85 HIS : no HE2:sc= -30.2! C(o=-30!,f=-36!) USER MOD Single : A 87 HIS :FLIP no HE2:sc= -1.99 F(o=-3.9!,f=-2) USER MOD Single : A 89 SER OG : rot -47:sc= 1.02 USER MOD Single : A 93 GLN : amide:sc= -0.0105 X(o=-0.01,f=-0.34) USER MOD Single : A 98 LYS NZ :NH3+ 163:sc= 0 (180deg=-0.00752) USER MOD Single : A 99 HIS : no HE2:sc= -17! C(o=-17!,f=-22!) USER MOD Single : A 100 ASN : amide:sc= -0.459 K(o=-0.46,f=-5.6!) USER MOD Single : A 101 TYR OH : rot 180:sc= 0 USER MOD Single : A 104 ASN : amide:sc= -13.5! C(o=-14!,f=-15!) USER MOD Single : A 107 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 116 GLN : amide:sc= -0.311 K(o=-0.31,f=-2!) USER MOD Single : A 120 LYS NZ :NH3+ -139:sc= 0 (180deg=-0.0383) USER MOD Single : A 124 GLN :FLIP amide:sc= -2.39 F(o=-9.2!,f=-2.4) USER MOD Single : A 127 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 129 HIS : no HE2:sc= -0.651! C(o=-0.65!,f=-1.4!) USER MOD ----------------------------------------------------------------- ATOM 38 N CYS A 11 39.331 -10.098 4.391 1.00 1.00 N ATOM 39 CA CYS A 11 38.754 -9.441 3.184 1.00 1.00 C ATOM 40 C CYS A 11 39.408 -8.072 2.985 1.00 1.00 C ATOM 41 O CYS A 11 40.479 -7.804 3.494 1.00 1.00 O ATOM 42 CB CYS A 11 37.246 -9.262 3.374 1.00 1.00 C ATOM 43 SG CYS A 11 36.375 -9.927 1.934 1.00 1.00 S ATOM 0 HA CYS A 11 38.940 -10.063 2.308 1.00 1.00 H new ATOM 0 HB2 CYS A 11 36.919 -9.774 4.279 1.00 1.00 H new ATOM 0 HB3 CYS A 11 37.007 -8.206 3.501 1.00 1.00 H new ATOM 44 N ASP A 12 38.772 -7.202 2.248 1.00 1.00 N ATOM 45 CA ASP A 12 39.357 -5.851 2.017 1.00 1.00 C ATOM 46 C ASP A 12 38.431 -4.788 2.610 1.00 1.00 C ATOM 47 O ASP A 12 38.400 -3.659 2.162 1.00 1.00 O ATOM 48 CB ASP A 12 39.511 -5.612 0.513 1.00 1.00 C ATOM 49 CG ASP A 12 40.873 -6.132 0.050 1.00 1.00 C ATOM 50 OD1 ASP A 12 41.272 -7.187 0.516 1.00 1.00 O ATOM 51 OD2 ASP A 12 41.494 -5.467 -0.763 1.00 1.00 O ATOM 0 H ASP A 12 37.873 -7.369 1.796 1.00 1.00 H new ATOM 0 HA ASP A 12 40.334 -5.791 2.496 1.00 1.00 H new ATOM 0 HB2 ASP A 12 38.713 -6.118 -0.030 1.00 1.00 H new ATOM 0 HB3 ASP A 12 39.422 -4.548 0.292 1.00 1.00 H new ATOM 52 N CYS A 13 37.677 -5.139 3.615 1.00 1.00 N ATOM 53 CA CYS A 13 36.754 -4.149 4.237 1.00 1.00 C ATOM 54 C CYS A 13 36.416 -4.596 5.661 1.00 1.00 C ATOM 55 O CYS A 13 36.302 -5.773 5.939 1.00 1.00 O ATOM 56 CB CYS A 13 35.472 -4.060 3.409 1.00 1.00 C ATOM 57 SG CYS A 13 35.718 -2.893 2.047 1.00 1.00 S ATOM 0 H CYS A 13 37.660 -6.069 4.033 1.00 1.00 H new ATOM 0 HA CYS A 13 37.233 -3.170 4.268 1.00 1.00 H new ATOM 0 HB2 CYS A 13 35.209 -5.043 3.018 1.00 1.00 H new ATOM 0 HB3 CYS A 13 34.642 -3.735 4.036 1.00 1.00 H new ATOM 58 N LEU A 14 36.258 -3.670 6.570 1.00 1.00 N ATOM 59 CA LEU A 14 35.932 -4.059 7.972 1.00 1.00 C ATOM 60 C LEU A 14 34.949 -3.047 8.571 1.00 1.00 C ATOM 61 O LEU A 14 34.211 -2.394 7.861 1.00 1.00 O ATOM 62 CB LEU A 14 37.225 -4.100 8.799 1.00 1.00 C ATOM 63 CG LEU A 14 37.982 -2.774 8.665 1.00 1.00 C ATOM 64 CD1 LEU A 14 37.247 -1.667 9.422 1.00 1.00 C ATOM 65 CD2 LEU A 14 39.380 -2.935 9.258 1.00 1.00 C ATOM 0 H LEU A 14 36.340 -2.667 6.403 1.00 1.00 H new ATOM 0 HA LEU A 14 35.469 -5.046 7.984 1.00 1.00 H new ATOM 0 HB2 LEU A 14 36.989 -4.288 9.846 1.00 1.00 H new ATOM 0 HB3 LEU A 14 37.855 -4.923 8.461 1.00 1.00 H new ATOM 0 HG LEU A 14 38.046 -2.506 7.610 1.00 1.00 H new ATOM 0 HD11 LEU A 14 37.795 -0.730 9.319 1.00 1.00 H new ATOM 0 HD12 LEU A 14 36.245 -1.548 9.010 1.00 1.00 H new ATOM 0 HD13 LEU A 14 37.177 -1.932 10.477 1.00 1.00 H new ATOM 0 HD21 LEU A 14 39.925 -1.995 9.166 1.00 1.00 H new ATOM 0 HD22 LEU A 14 39.300 -3.206 10.311 1.00 1.00 H new ATOM 0 HD23 LEU A 14 39.915 -3.718 8.721 1.00 1.00 H new ATOM 66 N ASN A 15 34.927 -2.915 9.870 1.00 1.00 N ATOM 67 CA ASN A 15 33.992 -1.950 10.508 1.00 1.00 C ATOM 68 C ASN A 15 32.555 -2.334 10.157 1.00 1.00 C ATOM 69 O ASN A 15 31.661 -1.510 10.159 1.00 1.00 O ATOM 70 CB ASN A 15 34.282 -0.536 10.001 1.00 1.00 C ATOM 71 CG ASN A 15 33.593 0.482 10.912 1.00 1.00 C ATOM 72 OD1 ASN A 15 32.551 0.206 11.472 1.00 1.00 O ATOM 73 ND2 ASN A 15 34.136 1.656 11.086 1.00 1.00 N ATOM 0 H ASN A 15 35.519 -3.436 10.517 1.00 1.00 H new ATOM 0 HA ASN A 15 34.125 -1.976 11.589 1.00 1.00 H new ATOM 0 HB2 ASN A 15 35.357 -0.357 9.985 1.00 1.00 H new ATOM 0 HB3 ASN A 15 33.925 -0.425 8.977 1.00 1.00 H new ATOM 0 HD21 ASN A 15 33.685 2.342 11.692 1.00 1.00 H new ATOM 0 HD22 ASN A 15 35.011 1.888 10.616 1.00 1.00 H new ATOM 74 N GLY A 16 32.330 -3.580 9.853 1.00 1.00 N ATOM 75 CA GLY A 16 30.955 -4.027 9.496 1.00 1.00 C ATOM 76 C GLY A 16 30.847 -4.169 7.980 1.00 1.00 C ATOM 77 O GLY A 16 29.769 -4.186 7.420 1.00 1.00 O ATOM 0 H GLY A 16 33.041 -4.311 9.836 1.00 1.00 H new ATOM 0 HA2 GLY A 16 30.733 -4.979 9.978 1.00 1.00 H new ATOM 0 HA3 GLY A 16 30.221 -3.307 9.858 1.00 1.00 H new ATOM 78 N GLY A 17 31.961 -4.276 7.313 1.00 1.00 N ATOM 79 CA GLY A 17 31.933 -4.423 5.830 1.00 1.00 C ATOM 80 C GLY A 17 31.426 -5.820 5.469 1.00 1.00 C ATOM 81 O GLY A 17 31.617 -6.769 6.204 1.00 1.00 O ATOM 0 H GLY A 17 32.892 -4.268 7.730 1.00 1.00 H new ATOM 0 HA2 GLY A 17 31.286 -3.664 5.390 1.00 1.00 H new ATOM 0 HA3 GLY A 17 32.931 -4.268 5.419 1.00 1.00 H new ATOM 82 N THR A 18 30.780 -5.957 4.343 1.00 1.00 N ATOM 83 CA THR A 18 30.262 -7.295 3.943 1.00 1.00 C ATOM 84 C THR A 18 31.290 -7.998 3.054 1.00 1.00 C ATOM 85 O THR A 18 31.472 -7.651 1.904 1.00 1.00 O ATOM 86 CB THR A 18 28.955 -7.125 3.173 1.00 1.00 C ATOM 87 OG1 THR A 18 27.963 -6.578 4.016 1.00 1.00 O ATOM 88 CG2 THR A 18 28.518 -8.499 2.672 1.00 1.00 C ATOM 0 H THR A 18 30.589 -5.202 3.685 1.00 1.00 H new ATOM 0 HA THR A 18 30.084 -7.896 4.835 1.00 1.00 H new ATOM 0 HB THR A 18 29.099 -6.446 2.332 1.00 1.00 H new ATOM 0 HG1 THR A 18 27.129 -6.471 3.513 1.00 1.00 H new ATOM 0 HG21 THR A 18 27.584 -8.404 2.117 1.00 1.00 H new ATOM 0 HG22 THR A 18 29.288 -8.910 2.019 1.00 1.00 H new ATOM 0 HG23 THR A 18 28.369 -9.166 3.521 1.00 1.00 H new ATOM 89 N CYS A 19 31.964 -8.985 3.579 1.00 1.00 N ATOM 90 CA CYS A 19 32.978 -9.711 2.764 1.00 1.00 C ATOM 91 C CYS A 19 32.276 -10.743 1.881 1.00 1.00 C ATOM 92 O CYS A 19 31.335 -11.390 2.295 1.00 1.00 O ATOM 93 CB CYS A 19 33.965 -10.421 3.692 1.00 1.00 C ATOM 94 SG CYS A 19 35.163 -11.349 2.702 1.00 1.00 S ATOM 0 H CYS A 19 31.856 -9.319 4.537 1.00 1.00 H new ATOM 0 HA CYS A 19 33.517 -9.001 2.136 1.00 1.00 H new ATOM 0 HB2 CYS A 19 34.481 -9.693 4.318 1.00 1.00 H new ATOM 0 HB3 CYS A 19 33.431 -11.095 4.362 1.00 1.00 H new ATOM 95 N VAL A 20 32.723 -10.902 0.666 1.00 1.00 N ATOM 96 CA VAL A 20 32.077 -11.893 -0.239 1.00 1.00 C ATOM 97 C VAL A 20 33.135 -12.536 -1.137 1.00 1.00 C ATOM 98 O VAL A 20 34.286 -12.147 -1.134 1.00 1.00 O ATOM 99 CB VAL A 20 31.031 -11.187 -1.104 1.00 1.00 C ATOM 100 CG1 VAL A 20 30.143 -10.312 -0.218 1.00 1.00 C ATOM 101 CG2 VAL A 20 31.730 -10.306 -2.143 1.00 1.00 C ATOM 0 H VAL A 20 33.506 -10.389 0.261 1.00 1.00 H new ATOM 0 HA VAL A 20 31.593 -12.666 0.358 1.00 1.00 H new ATOM 0 HB VAL A 20 30.421 -11.934 -1.612 1.00 1.00 H new ATOM 0 HG11 VAL A 20 29.398 -9.809 -0.834 1.00 1.00 H new ATOM 0 HG12 VAL A 20 29.641 -10.935 0.522 1.00 1.00 H new ATOM 0 HG13 VAL A 20 30.756 -9.568 0.290 1.00 1.00 H new ATOM 0 HG21 VAL A 20 30.982 -9.805 -2.757 1.00 1.00 H new ATOM 0 HG22 VAL A 20 32.342 -9.560 -1.635 1.00 1.00 H new ATOM 0 HG23 VAL A 20 32.365 -10.925 -2.777 1.00 1.00 H new ATOM 102 N SER A 21 32.753 -13.515 -1.909 1.00 1.00 N ATOM 103 CA SER A 21 33.733 -14.183 -2.811 1.00 1.00 C ATOM 104 C SER A 21 33.077 -14.436 -4.171 1.00 1.00 C ATOM 105 O SER A 21 31.891 -14.239 -4.343 1.00 1.00 O ATOM 106 CB SER A 21 34.167 -15.515 -2.197 1.00 1.00 C ATOM 107 OG SER A 21 33.165 -16.493 -2.438 1.00 1.00 O ATOM 0 H SER A 21 31.802 -13.882 -1.954 1.00 1.00 H new ATOM 0 HA SER A 21 34.606 -13.543 -2.940 1.00 1.00 H new ATOM 0 HB2 SER A 21 35.115 -15.836 -2.629 1.00 1.00 H new ATOM 0 HB3 SER A 21 34.328 -15.399 -1.125 1.00 1.00 H new ATOM 0 HG SER A 21 33.442 -17.348 -2.047 1.00 1.00 H new ATOM 108 N ASN A 22 33.838 -14.868 -5.138 1.00 1.00 N ATOM 109 CA ASN A 22 33.254 -15.129 -6.481 1.00 1.00 C ATOM 110 C ASN A 22 32.844 -16.601 -6.580 1.00 1.00 C ATOM 111 O ASN A 22 32.842 -17.320 -5.600 1.00 1.00 O ATOM 112 CB ASN A 22 34.296 -14.812 -7.554 1.00 1.00 C ATOM 113 CG ASN A 22 33.647 -14.014 -8.688 1.00 1.00 C ATOM 114 OD1 ASN A 22 34.315 -13.272 -9.380 1.00 1.00 O ATOM 115 ND2 ASN A 22 32.366 -14.135 -8.912 1.00 1.00 N ATOM 0 H ASN A 22 34.838 -15.051 -5.055 1.00 1.00 H new ATOM 0 HA ASN A 22 32.377 -14.500 -6.629 1.00 1.00 H new ATOM 0 HB2 ASN A 22 35.117 -14.242 -7.119 1.00 1.00 H new ATOM 0 HB3 ASN A 22 34.722 -15.736 -7.945 1.00 1.00 H new ATOM 0 HD21 ASN A 22 31.928 -13.607 -9.667 1.00 1.00 H new ATOM 0 HD22 ASN A 22 31.803 -14.758 -8.332 1.00 1.00 H new ATOM 116 N LYS A 23 32.488 -17.055 -7.751 1.00 1.00 N ATOM 117 CA LYS A 23 32.069 -18.478 -7.897 1.00 1.00 C ATOM 118 C LYS A 23 32.525 -19.036 -9.251 1.00 1.00 C ATOM 119 O LYS A 23 32.794 -20.214 -9.382 1.00 1.00 O ATOM 120 CB LYS A 23 30.546 -18.556 -7.806 1.00 1.00 C ATOM 121 CG LYS A 23 30.130 -19.956 -7.351 1.00 1.00 C ATOM 122 CD LYS A 23 28.869 -20.384 -8.105 1.00 1.00 C ATOM 123 CE LYS A 23 28.492 -21.810 -7.701 1.00 1.00 C ATOM 124 NZ LYS A 23 27.895 -21.799 -6.336 1.00 1.00 N ATOM 0 H LYS A 23 32.469 -16.505 -8.610 1.00 1.00 H new ATOM 0 HA LYS A 23 32.527 -19.069 -7.104 1.00 1.00 H new ATOM 0 HB2 LYS A 23 30.175 -17.809 -7.104 1.00 1.00 H new ATOM 0 HB3 LYS A 23 30.102 -18.331 -8.776 1.00 1.00 H new ATOM 0 HG2 LYS A 23 30.936 -20.665 -7.538 1.00 1.00 H new ATOM 0 HG3 LYS A 23 29.944 -19.961 -6.277 1.00 1.00 H new ATOM 0 HD2 LYS A 23 28.049 -19.702 -7.880 1.00 1.00 H new ATOM 0 HD3 LYS A 23 29.040 -20.333 -9.180 1.00 1.00 H new ATOM 0 HE2 LYS A 23 27.783 -22.226 -8.416 1.00 1.00 H new ATOM 0 HE3 LYS A 23 29.375 -22.449 -7.718 1.00 1.00 H new ATOM 0 HZ1 LYS A 23 27.516 -22.742 -6.115 1.00 1.00 H new ATOM 0 HZ2 LYS A 23 28.625 -21.548 -5.640 1.00 1.00 H new ATOM 0 HZ3 LYS A 23 27.126 -21.099 -6.299 1.00 1.00 H new ATOM 125 N TYR A 24 32.601 -18.213 -10.263 1.00 1.00 N ATOM 126 CA TYR A 24 33.024 -18.720 -11.601 1.00 1.00 C ATOM 127 C TYR A 24 34.531 -18.521 -11.788 1.00 1.00 C ATOM 128 O TYR A 24 35.013 -18.386 -12.896 1.00 1.00 O ATOM 129 CB TYR A 24 32.274 -17.955 -12.694 1.00 1.00 C ATOM 130 CG TYR A 24 30.797 -17.942 -12.380 1.00 1.00 C ATOM 131 CD1 TYR A 24 30.118 -19.146 -12.148 1.00 1.00 C ATOM 132 CD2 TYR A 24 30.104 -16.725 -12.323 1.00 1.00 C ATOM 133 CE1 TYR A 24 28.747 -19.133 -11.859 1.00 1.00 C ATOM 134 CE2 TYR A 24 28.732 -16.712 -12.033 1.00 1.00 C ATOM 135 CZ TYR A 24 28.054 -17.916 -11.802 1.00 1.00 C ATOM 136 OH TYR A 24 26.704 -17.904 -11.517 1.00 1.00 O ATOM 0 H TYR A 24 32.390 -17.216 -10.222 1.00 1.00 H new ATOM 0 HA TYR A 24 32.793 -19.783 -11.667 1.00 1.00 H new ATOM 0 HB2 TYR A 24 32.651 -16.934 -12.762 1.00 1.00 H new ATOM 0 HB3 TYR A 24 32.446 -18.423 -13.663 1.00 1.00 H new ATOM 0 HD1 TYR A 24 30.652 -20.084 -12.192 1.00 1.00 H new ATOM 0 HD2 TYR A 24 30.627 -15.797 -12.502 1.00 1.00 H new ATOM 0 HE1 TYR A 24 28.224 -20.061 -11.680 1.00 1.00 H new ATOM 0 HE2 TYR A 24 28.198 -15.774 -11.988 1.00 1.00 H new ATOM 0 HH TYR A 24 26.378 -16.980 -11.515 1.00 1.00 H new ATOM 137 N PHE A 25 35.283 -18.507 -10.721 1.00 1.00 N ATOM 138 CA PHE A 25 36.752 -18.323 -10.852 1.00 1.00 C ATOM 139 C PHE A 25 37.458 -19.146 -9.774 1.00 1.00 C ATOM 140 O PHE A 25 37.013 -20.213 -9.400 1.00 1.00 O ATOM 141 CB PHE A 25 37.102 -16.843 -10.677 1.00 1.00 C ATOM 142 CG PHE A 25 36.036 -15.986 -11.313 1.00 1.00 C ATOM 143 CD1 PHE A 25 34.767 -15.894 -10.727 1.00 1.00 C ATOM 144 CD2 PHE A 25 36.319 -15.275 -12.487 1.00 1.00 C ATOM 145 CE1 PHE A 25 33.780 -15.094 -11.315 1.00 1.00 C ATOM 146 CE2 PHE A 25 35.332 -14.472 -13.074 1.00 1.00 C ATOM 147 CZ PHE A 25 34.063 -14.382 -12.487 1.00 1.00 C ATOM 0 H PHE A 25 34.942 -18.615 -9.766 1.00 1.00 H new ATOM 0 HA PHE A 25 37.076 -18.654 -11.839 1.00 1.00 H new ATOM 0 HB2 PHE A 25 37.189 -16.604 -9.617 1.00 1.00 H new ATOM 0 HB3 PHE A 25 38.070 -16.633 -11.132 1.00 1.00 H new ATOM 0 HD1 PHE A 25 34.550 -16.441 -9.821 1.00 1.00 H new ATOM 0 HD2 PHE A 25 37.297 -15.346 -12.939 1.00 1.00 H new ATOM 0 HE1 PHE A 25 32.801 -15.026 -10.865 1.00 1.00 H new ATOM 0 HE2 PHE A 25 35.549 -13.923 -13.978 1.00 1.00 H new ATOM 0 HZ PHE A 25 33.302 -13.763 -12.939 1.00 1.00 H new ATOM 148 N SER A 26 38.552 -18.654 -9.268 1.00 1.00 N ATOM 149 CA SER A 26 39.290 -19.397 -8.210 1.00 1.00 C ATOM 150 C SER A 26 39.461 -18.493 -6.988 1.00 1.00 C ATOM 151 O SER A 26 39.484 -18.950 -5.863 1.00 1.00 O ATOM 152 CB SER A 26 40.665 -19.809 -8.738 1.00 1.00 C ATOM 153 OG SER A 26 40.503 -20.554 -9.938 1.00 1.00 O ATOM 0 H SER A 26 38.969 -17.765 -9.543 1.00 1.00 H new ATOM 0 HA SER A 26 38.730 -20.289 -7.931 1.00 1.00 H new ATOM 0 HB2 SER A 26 41.275 -18.925 -8.924 1.00 1.00 H new ATOM 0 HB3 SER A 26 41.189 -20.407 -7.993 1.00 1.00 H new ATOM 0 HG SER A 26 41.382 -20.818 -10.280 1.00 1.00 H new ATOM 154 N ASN A 27 39.579 -17.210 -7.201 1.00 1.00 N ATOM 155 CA ASN A 27 39.745 -16.277 -6.053 1.00 1.00 C ATOM 156 C ASN A 27 39.366 -14.857 -6.483 1.00 1.00 C ATOM 157 O ASN A 27 40.080 -13.909 -6.222 1.00 1.00 O ATOM 158 CB ASN A 27 41.203 -16.294 -5.589 1.00 1.00 C ATOM 159 CG ASN A 27 41.388 -15.291 -4.449 1.00 1.00 C ATOM 160 OD1 ASN A 27 40.712 -15.367 -3.442 1.00 1.00 O ATOM 161 ND2 ASN A 27 42.281 -14.347 -4.565 1.00 1.00 N ATOM 0 H ASN A 27 39.567 -16.769 -8.121 1.00 1.00 H new ATOM 0 HA ASN A 27 39.097 -16.593 -5.236 1.00 1.00 H new ATOM 0 HB2 ASN A 27 41.478 -17.295 -5.255 1.00 1.00 H new ATOM 0 HB3 ASN A 27 41.863 -16.043 -6.419 1.00 1.00 H new ATOM 0 HD21 ASN A 27 42.412 -13.673 -3.811 1.00 1.00 H new ATOM 0 HD22 ASN A 27 42.849 -14.283 -5.410 1.00 1.00 H new ATOM 162 N ILE A 28 38.245 -14.699 -7.135 1.00 1.00 N ATOM 163 CA ILE A 28 37.827 -13.335 -7.570 1.00 1.00 C ATOM 164 C ILE A 28 36.889 -12.738 -6.519 1.00 1.00 C ATOM 165 O ILE A 28 35.820 -12.252 -6.829 1.00 1.00 O ATOM 166 CB ILE A 28 37.102 -13.419 -8.917 1.00 1.00 C ATOM 167 CG1 ILE A 28 38.031 -14.051 -9.956 1.00 1.00 C ATOM 168 CG2 ILE A 28 36.716 -12.011 -9.375 1.00 1.00 C ATOM 169 CD1 ILE A 28 39.331 -13.248 -10.036 1.00 1.00 C ATOM 0 H ILE A 28 37.603 -15.452 -7.384 1.00 1.00 H new ATOM 0 HA ILE A 28 38.708 -12.702 -7.679 1.00 1.00 H new ATOM 0 HB ILE A 28 36.205 -14.028 -8.810 1.00 1.00 H new ATOM 0 HG12 ILE A 28 38.246 -15.085 -9.686 1.00 1.00 H new ATOM 0 HG13 ILE A 28 37.543 -14.071 -10.931 1.00 1.00 H new ATOM 0 HG21 ILE A 28 36.200 -12.069 -10.333 1.00 1.00 H new ATOM 0 HG22 ILE A 28 36.058 -11.555 -8.635 1.00 1.00 H new ATOM 0 HG23 ILE A 28 37.615 -11.404 -9.483 1.00 1.00 H new ATOM 0 HD11 ILE A 28 39.992 -13.699 -10.776 1.00 1.00 H new ATOM 0 HD12 ILE A 28 39.107 -12.222 -10.327 1.00 1.00 H new ATOM 0 HD13 ILE A 28 39.821 -13.251 -9.062 1.00 1.00 H new ATOM 170 N HIS A 29 37.285 -12.775 -5.275 1.00 1.00 N ATOM 171 CA HIS A 29 36.421 -12.215 -4.199 1.00 1.00 C ATOM 172 C HIS A 29 36.562 -10.692 -4.171 1.00 1.00 C ATOM 173 O HIS A 29 37.405 -10.124 -4.838 1.00 1.00 O ATOM 174 CB HIS A 29 36.855 -12.787 -2.847 1.00 1.00 C ATOM 175 CG HIS A 29 37.042 -14.275 -2.962 1.00 1.00 C ATOM 176 ND1 HIS A 29 36.923 -15.139 -4.023 1.00 1.00 N flip ATOM 177 CD2 HIS A 29 37.402 -15.058 -1.876 1.00 1.00 C flip ATOM 178 CE1 HIS A 29 37.203 -16.436 -3.605 1.00 1.00 C flip ATOM 179 NE2 HIS A 29 37.486 -16.331 -2.304 1.00 1.00 N flip ATOM 0 H HIS A 29 38.171 -13.170 -4.958 1.00 1.00 H new ATOM 0 HA HIS A 29 35.382 -12.482 -4.393 1.00 1.00 H new ATOM 0 HB2 HIS A 29 37.785 -12.318 -2.524 1.00 1.00 H new ATOM 0 HB3 HIS A 29 36.105 -12.563 -2.089 1.00 1.00 H new ATOM 0 HD2 HIS A 29 37.582 -14.710 -0.870 1.00 1.00 H new ATOM 0 HE1 HIS A 29 37.194 -17.335 -4.204 1.00 1.00 H new ATOM 0 HE2 HIS A 29 37.735 -17.120 -1.707 1.00 1.00 H new ATOM 180 N TRP A 30 35.746 -10.025 -3.401 1.00 1.00 N ATOM 181 CA TRP A 30 35.836 -8.540 -3.328 1.00 1.00 C ATOM 182 C TRP A 30 35.100 -8.047 -2.081 1.00 1.00 C ATOM 183 O TRP A 30 34.071 -8.573 -1.708 1.00 1.00 O ATOM 184 CB TRP A 30 35.197 -7.929 -4.577 1.00 1.00 C ATOM 185 CG TRP A 30 33.742 -8.270 -4.612 1.00 1.00 C ATOM 186 CD1 TRP A 30 32.790 -7.700 -3.839 1.00 1.00 C ATOM 187 CD2 TRP A 30 33.060 -9.247 -5.449 1.00 1.00 C ATOM 188 NE1 TRP A 30 31.566 -8.264 -4.149 1.00 1.00 N ATOM 189 CE2 TRP A 30 31.680 -9.223 -5.135 1.00 1.00 C ATOM 190 CE3 TRP A 30 33.502 -10.142 -6.440 1.00 1.00 C ATOM 191 CZ2 TRP A 30 30.770 -10.061 -5.784 1.00 1.00 C ATOM 192 CZ3 TRP A 30 32.590 -10.986 -7.096 1.00 1.00 C ATOM 193 CH2 TRP A 30 31.227 -10.945 -6.767 1.00 1.00 C ATOM 0 H TRP A 30 35.021 -10.445 -2.819 1.00 1.00 H new ATOM 0 HA TRP A 30 36.882 -8.240 -3.273 1.00 1.00 H new ATOM 0 HB2 TRP A 30 35.327 -6.847 -4.573 1.00 1.00 H new ATOM 0 HB3 TRP A 30 35.691 -8.306 -5.472 1.00 1.00 H new ATOM 0 HD1 TRP A 30 32.958 -6.930 -3.100 1.00 1.00 H new ATOM 0 HE1 TRP A 30 30.686 -8.003 -3.703 1.00 1.00 H new ATOM 0 HE3 TRP A 30 34.550 -10.181 -6.699 1.00 1.00 H new ATOM 0 HZ2 TRP A 30 29.721 -10.027 -5.529 1.00 1.00 H new ATOM 0 HZ3 TRP A 30 32.940 -11.669 -7.856 1.00 1.00 H new ATOM 0 HH2 TRP A 30 30.530 -11.596 -7.273 1.00 1.00 H new ATOM 194 N CYS A 31 35.619 -7.042 -1.430 1.00 1.00 N ATOM 195 CA CYS A 31 34.947 -6.520 -0.206 1.00 1.00 C ATOM 196 C CYS A 31 33.609 -5.883 -0.589 1.00 1.00 C ATOM 197 O CYS A 31 33.423 -5.429 -1.701 1.00 1.00 O ATOM 198 CB CYS A 31 35.839 -5.470 0.459 1.00 1.00 C ATOM 199 SG CYS A 31 35.009 -3.861 0.422 1.00 1.00 S ATOM 0 H CYS A 31 36.479 -6.560 -1.692 1.00 1.00 H new ATOM 0 HA CYS A 31 34.773 -7.341 0.489 1.00 1.00 H new ATOM 0 HB2 CYS A 31 36.052 -5.758 1.489 1.00 1.00 H new ATOM 0 HB3 CYS A 31 36.796 -5.409 -0.059 1.00 1.00 H new ATOM 200 N ASN A 32 32.677 -5.843 0.323 1.00 1.00 N ATOM 201 CA ASN A 32 31.355 -5.233 0.009 1.00 1.00 C ATOM 202 C ASN A 32 30.884 -4.388 1.195 1.00 1.00 C ATOM 203 O ASN A 32 29.794 -4.568 1.702 1.00 1.00 O ATOM 204 CB ASN A 32 30.335 -6.341 -0.264 1.00 1.00 C ATOM 205 CG ASN A 32 29.204 -5.791 -1.135 1.00 1.00 C ATOM 206 OD1 ASN A 32 29.448 -5.107 -2.109 1.00 1.00 O ATOM 207 ND2 ASN A 32 27.966 -6.065 -0.824 1.00 1.00 N ATOM 0 H ASN A 32 32.774 -6.206 1.271 1.00 1.00 H new ATOM 0 HA ASN A 32 31.449 -4.598 -0.872 1.00 1.00 H new ATOM 0 HB2 ASN A 32 30.819 -7.180 -0.765 1.00 1.00 H new ATOM 0 HB3 ASN A 32 29.933 -6.720 0.676 1.00 1.00 H new ATOM 0 HD21 ASN A 32 27.204 -5.705 -1.399 1.00 1.00 H new ATOM 0 HD22 ASN A 32 27.761 -6.639 -0.006 1.00 1.00 H new ATOM 208 N CYS A 33 31.691 -3.464 1.642 1.00 1.00 N ATOM 209 CA CYS A 33 31.276 -2.613 2.792 1.00 1.00 C ATOM 210 C CYS A 33 30.298 -1.540 2.302 1.00 1.00 C ATOM 211 O CYS A 33 30.296 -1.194 1.137 1.00 1.00 O ATOM 212 CB CYS A 33 32.505 -1.940 3.411 1.00 1.00 C ATOM 213 SG CYS A 33 33.459 -1.104 2.119 1.00 1.00 S ATOM 0 H CYS A 33 32.616 -3.263 1.262 1.00 1.00 H new ATOM 0 HA CYS A 33 30.792 -3.235 3.545 1.00 1.00 H new ATOM 0 HB2 CYS A 33 32.195 -1.222 4.170 1.00 1.00 H new ATOM 0 HB3 CYS A 33 33.126 -2.684 3.911 1.00 1.00 H new ATOM 214 N PRO A 34 29.494 -1.047 3.209 1.00 1.00 N ATOM 215 CA PRO A 34 28.511 -0.023 2.891 1.00 1.00 C ATOM 216 C PRO A 34 29.167 1.118 2.108 1.00 1.00 C ATOM 217 O PRO A 34 30.338 1.400 2.268 1.00 1.00 O ATOM 218 CB PRO A 34 28.018 0.465 4.249 1.00 1.00 C ATOM 219 CG PRO A 34 28.265 -0.759 5.187 1.00 1.00 C ATOM 220 CD PRO A 34 29.517 -1.483 4.614 1.00 1.00 C ATOM 0 HA PRO A 34 27.699 -0.399 2.269 1.00 1.00 H new ATOM 0 HB2 PRO A 34 28.568 1.345 4.583 1.00 1.00 H new ATOM 0 HB3 PRO A 34 26.964 0.741 4.218 1.00 1.00 H new ATOM 0 HG2 PRO A 34 28.435 -0.437 6.214 1.00 1.00 H new ATOM 0 HG3 PRO A 34 27.401 -1.423 5.200 1.00 1.00 H new ATOM 0 HD2 PRO A 34 30.433 -1.181 5.122 1.00 1.00 H new ATOM 0 HD3 PRO A 34 29.443 -2.566 4.708 1.00 1.00 H new ATOM 221 N LYS A 35 28.421 1.773 1.262 1.00 1.00 N ATOM 222 CA LYS A 35 29.001 2.893 0.468 1.00 1.00 C ATOM 223 C LYS A 35 29.407 4.028 1.409 1.00 1.00 C ATOM 224 O LYS A 35 30.183 4.893 1.056 1.00 1.00 O ATOM 225 CB LYS A 35 27.958 3.404 -0.527 1.00 1.00 C ATOM 226 CG LYS A 35 28.555 3.413 -1.936 1.00 1.00 C ATOM 227 CD LYS A 35 27.969 4.580 -2.731 1.00 1.00 C ATOM 228 CE LYS A 35 26.485 4.324 -2.997 1.00 1.00 C ATOM 229 NZ LYS A 35 25.792 5.620 -3.242 1.00 1.00 N ATOM 0 H LYS A 35 27.435 1.581 1.086 1.00 1.00 H new ATOM 0 HA LYS A 35 29.878 2.539 -0.074 1.00 1.00 H new ATOM 0 HB2 LYS A 35 27.073 2.769 -0.500 1.00 1.00 H new ATOM 0 HB3 LYS A 35 27.638 4.408 -0.250 1.00 1.00 H new ATOM 0 HG2 LYS A 35 29.640 3.504 -1.882 1.00 1.00 H new ATOM 0 HG3 LYS A 35 28.339 2.471 -2.440 1.00 1.00 H new ATOM 0 HD2 LYS A 35 28.095 5.510 -2.177 1.00 1.00 H new ATOM 0 HD3 LYS A 35 28.503 4.696 -3.674 1.00 1.00 H new ATOM 0 HE2 LYS A 35 26.367 3.668 -3.860 1.00 1.00 H new ATOM 0 HE3 LYS A 35 26.035 3.814 -2.145 1.00 1.00 H new ATOM 0 HZ1 LYS A 35 24.783 5.445 -3.423 1.00 1.00 H new ATOM 0 HZ2 LYS A 35 25.893 6.231 -2.407 1.00 1.00 H new ATOM 0 HZ3 LYS A 35 26.215 6.089 -4.068 1.00 1.00 H new ATOM 230 N LYS A 36 28.889 4.031 2.607 1.00 1.00 N ATOM 231 CA LYS A 36 29.245 5.110 3.569 1.00 1.00 C ATOM 232 C LYS A 36 30.530 4.732 4.307 1.00 1.00 C ATOM 233 O LYS A 36 30.884 5.332 5.303 1.00 1.00 O ATOM 234 CB LYS A 36 28.110 5.286 4.580 1.00 1.00 C ATOM 235 CG LYS A 36 27.702 3.919 5.132 1.00 1.00 C ATOM 236 CD LYS A 36 27.711 3.964 6.661 1.00 1.00 C ATOM 237 CE LYS A 36 26.699 5.003 7.148 1.00 1.00 C ATOM 238 NZ LYS A 36 26.085 4.539 8.423 1.00 1.00 N ATOM 0 H LYS A 36 28.235 3.333 2.960 1.00 1.00 H new ATOM 0 HA LYS A 36 29.398 6.043 3.027 1.00 1.00 H new ATOM 0 HB2 LYS A 36 28.431 5.937 5.393 1.00 1.00 H new ATOM 0 HB3 LYS A 36 27.256 5.767 4.104 1.00 1.00 H new ATOM 0 HG2 LYS A 36 26.709 3.651 4.771 1.00 1.00 H new ATOM 0 HG3 LYS A 36 28.389 3.151 4.776 1.00 1.00 H new ATOM 0 HD2 LYS A 36 27.464 2.983 7.066 1.00 1.00 H new ATOM 0 HD3 LYS A 36 28.708 4.215 7.022 1.00 1.00 H new ATOM 0 HE2 LYS A 36 27.192 5.964 7.298 1.00 1.00 H new ATOM 0 HE3 LYS A 36 25.927 5.155 6.394 1.00 1.00 H new ATOM 0 HZ1 LYS A 36 25.397 5.245 8.754 1.00 1.00 H new ATOM 0 HZ2 LYS A 36 25.601 3.632 8.265 1.00 1.00 H new ATOM 0 HZ3 LYS A 36 26.827 4.416 9.141 1.00 1.00 H new ATOM 239 N PHE A 37 31.232 3.742 3.828 1.00 1.00 N ATOM 240 CA PHE A 37 32.494 3.329 4.505 1.00 1.00 C ATOM 241 C PHE A 37 33.687 3.649 3.605 1.00 1.00 C ATOM 242 O PHE A 37 33.548 3.822 2.410 1.00 1.00 O ATOM 243 CB PHE A 37 32.459 1.826 4.787 1.00 1.00 C ATOM 244 CG PHE A 37 31.919 1.588 6.176 1.00 1.00 C ATOM 245 CD1 PHE A 37 32.661 1.992 7.294 1.00 1.00 C ATOM 246 CD2 PHE A 37 30.676 0.965 6.348 1.00 1.00 C ATOM 247 CE1 PHE A 37 32.160 1.773 8.584 1.00 1.00 C ATOM 248 CE2 PHE A 37 30.175 0.746 7.639 1.00 1.00 C ATOM 249 CZ PHE A 37 30.917 1.150 8.756 1.00 1.00 C ATOM 0 H PHE A 37 30.987 3.202 2.998 1.00 1.00 H new ATOM 0 HA PHE A 37 32.591 3.872 5.445 1.00 1.00 H new ATOM 0 HB2 PHE A 37 31.834 1.321 4.051 1.00 1.00 H new ATOM 0 HB3 PHE A 37 33.460 1.405 4.697 1.00 1.00 H new ATOM 0 HD1 PHE A 37 33.619 2.472 7.161 1.00 1.00 H new ATOM 0 HD2 PHE A 37 30.104 0.654 5.486 1.00 1.00 H new ATOM 0 HE1 PHE A 37 32.732 2.084 9.446 1.00 1.00 H new ATOM 0 HE2 PHE A 37 29.217 0.266 7.772 1.00 1.00 H new ATOM 0 HZ PHE A 37 30.531 0.981 9.750 1.00 1.00 H new ATOM 250 N GLY A 38 34.859 3.728 4.171 1.00 1.00 N ATOM 251 CA GLY A 38 36.064 4.035 3.351 1.00 1.00 C ATOM 252 C GLY A 38 37.319 3.826 4.198 1.00 1.00 C ATOM 253 O GLY A 38 37.244 3.460 5.354 1.00 1.00 O ATOM 0 H GLY A 38 35.035 3.593 5.167 1.00 1.00 H new ATOM 0 HA2 GLY A 38 36.093 3.391 2.472 1.00 1.00 H new ATOM 0 HA3 GLY A 38 36.021 5.063 2.992 1.00 1.00 H new ATOM 254 N GLY A 39 38.473 4.057 3.636 1.00 1.00 N ATOM 255 CA GLY A 39 39.728 3.871 4.415 1.00 1.00 C ATOM 256 C GLY A 39 40.350 2.518 4.081 1.00 1.00 C ATOM 257 O GLY A 39 39.949 1.501 4.609 1.00 1.00 O ATOM 0 H GLY A 39 38.601 4.366 2.672 1.00 1.00 H new ATOM 0 HA2 GLY A 39 40.431 4.671 4.185 1.00 1.00 H new ATOM 0 HA3 GLY A 39 39.516 3.930 5.483 1.00 1.00 H new ATOM 258 N GLN A 40 41.332 2.514 3.213 1.00 1.00 N ATOM 259 CA GLN A 40 42.020 1.244 2.824 1.00 1.00 C ATOM 260 C GLN A 40 41.031 0.077 2.803 1.00 1.00 C ATOM 261 O GLN A 40 40.435 -0.230 1.790 1.00 1.00 O ATOM 262 CB GLN A 40 43.133 0.945 3.831 1.00 1.00 C ATOM 263 CG GLN A 40 43.665 -0.472 3.603 1.00 1.00 C ATOM 264 CD GLN A 40 45.194 -0.459 3.656 1.00 1.00 C ATOM 265 OE1 GLN A 40 45.777 0.135 4.540 1.00 1.00 O ATOM 266 NE2 GLN A 40 45.871 -1.094 2.739 1.00 1.00 N ATOM 0 H GLN A 40 41.691 3.350 2.751 1.00 1.00 H new ATOM 0 HA GLN A 40 42.439 1.365 1.825 1.00 1.00 H new ATOM 0 HB2 GLN A 40 43.940 1.669 3.722 1.00 1.00 H new ATOM 0 HB3 GLN A 40 42.753 1.042 4.848 1.00 1.00 H new ATOM 0 HG2 GLN A 40 43.270 -1.147 4.363 1.00 1.00 H new ATOM 0 HG3 GLN A 40 43.327 -0.847 2.637 1.00 1.00 H new ATOM 0 HE21 GLN A 40 45.381 -1.593 1.997 1.00 1.00 H new ATOM 0 HE22 GLN A 40 46.891 -1.092 2.765 1.00 1.00 H new ATOM 267 N HIS A 41 40.856 -0.574 3.918 1.00 1.00 N ATOM 268 CA HIS A 41 39.909 -1.720 3.976 1.00 1.00 C ATOM 269 C HIS A 41 38.599 -1.251 4.603 1.00 1.00 C ATOM 270 O HIS A 41 38.114 -1.825 5.558 1.00 1.00 O ATOM 271 CB HIS A 41 40.512 -2.841 4.825 1.00 1.00 C ATOM 272 CG HIS A 41 41.593 -3.535 4.043 1.00 1.00 C ATOM 273 ND1 HIS A 41 41.744 -3.773 2.699 1.00 1.00 N flip ATOM 274 CD2 HIS A 41 42.708 -4.087 4.653 1.00 1.00 C flip ATOM 275 CE1 HIS A 41 42.933 -4.462 2.476 1.00 1.00 C flip ATOM 276 NE2 HIS A 41 43.474 -4.626 3.686 1.00 1.00 N flip ATOM 0 H HIS A 41 41.330 -0.360 4.795 1.00 1.00 H new ATOM 0 HA HIS A 41 39.722 -2.095 2.970 1.00 1.00 H new ATOM 0 HB2 HIS A 41 40.922 -2.432 5.749 1.00 1.00 H new ATOM 0 HB3 HIS A 41 39.738 -3.554 5.108 1.00 1.00 H new ATOM 0 HD2 HIS A 41 42.923 -4.085 5.711 1.00 1.00 H new ATOM 0 HE1 HIS A 41 43.332 -4.793 1.528 1.00 1.00 H new ATOM 0 HE2 HIS A 41 44.360 -5.102 3.857 1.00 1.00 H new ATOM 277 N CYS A 42 38.028 -0.204 4.078 1.00 1.00 N ATOM 278 CA CYS A 42 36.753 0.311 4.643 1.00 1.00 C ATOM 279 C CYS A 42 36.848 0.322 6.168 1.00 1.00 C ATOM 280 O CYS A 42 36.179 -0.433 6.848 1.00 1.00 O ATOM 281 CB CYS A 42 35.594 -0.590 4.207 1.00 1.00 C ATOM 282 SG CYS A 42 34.487 0.329 3.108 1.00 1.00 S ATOM 0 H CYS A 42 38.391 0.318 3.280 1.00 1.00 H new ATOM 0 HA CYS A 42 36.575 1.323 4.279 1.00 1.00 H new ATOM 0 HB2 CYS A 42 35.979 -1.473 3.696 1.00 1.00 H new ATOM 0 HB3 CYS A 42 35.045 -0.941 5.081 1.00 1.00 H new ATOM 283 N GLU A 43 37.680 1.170 6.710 1.00 1.00 N ATOM 284 CA GLU A 43 37.824 1.232 8.191 1.00 1.00 C ATOM 285 C GLU A 43 37.509 2.650 8.673 1.00 1.00 C ATOM 286 O GLU A 43 38.098 3.141 9.615 1.00 1.00 O ATOM 287 CB GLU A 43 39.258 0.868 8.579 1.00 1.00 C ATOM 288 CG GLU A 43 40.231 1.851 7.924 1.00 1.00 C ATOM 289 CD GLU A 43 41.016 2.591 9.008 1.00 1.00 C ATOM 290 OE1 GLU A 43 40.497 2.720 10.105 1.00 1.00 O ATOM 291 OE2 GLU A 43 42.124 3.017 8.723 1.00 1.00 O ATOM 0 H GLU A 43 38.266 1.823 6.190 1.00 1.00 H new ATOM 0 HA GLU A 43 37.133 0.528 8.654 1.00 1.00 H new ATOM 0 HB2 GLU A 43 39.371 0.896 9.663 1.00 1.00 H new ATOM 0 HB3 GLU A 43 39.484 -0.150 8.261 1.00 1.00 H new ATOM 0 HG2 GLU A 43 40.916 1.317 7.265 1.00 1.00 H new ATOM 0 HG3 GLU A 43 39.684 2.563 7.306 1.00 1.00 H new ATOM 292 N ILE A 44 36.582 3.311 8.035 1.00 1.00 N ATOM 293 CA ILE A 44 36.229 4.696 8.457 1.00 1.00 C ATOM 294 C ILE A 44 34.760 4.970 8.127 1.00 1.00 C ATOM 295 O ILE A 44 34.234 4.484 7.145 1.00 1.00 O ATOM 296 CB ILE A 44 37.112 5.698 7.711 1.00 1.00 C ATOM 297 CG1 ILE A 44 38.500 5.091 7.493 1.00 1.00 C ATOM 298 CG2 ILE A 44 37.241 6.979 8.538 1.00 1.00 C ATOM 299 CD1 ILE A 44 39.355 6.055 6.669 1.00 1.00 C ATOM 0 H ILE A 44 36.054 2.952 7.240 1.00 1.00 H new ATOM 0 HA ILE A 44 36.388 4.800 9.530 1.00 1.00 H new ATOM 0 HB ILE A 44 36.661 5.932 6.746 1.00 1.00 H new ATOM 0 HG12 ILE A 44 38.977 4.894 8.453 1.00 1.00 H new ATOM 0 HG13 ILE A 44 38.413 4.134 6.978 1.00 1.00 H new ATOM 0 HG21 ILE A 44 37.870 7.693 8.007 1.00 1.00 H new ATOM 0 HG22 ILE A 44 36.253 7.412 8.695 1.00 1.00 H new ATOM 0 HG23 ILE A 44 37.692 6.746 9.503 1.00 1.00 H new ATOM 0 HD11 ILE A 44 40.344 5.623 6.514 1.00 1.00 H new ATOM 0 HD12 ILE A 44 38.879 6.229 5.704 1.00 1.00 H new ATOM 0 HD13 ILE A 44 39.452 7.001 7.201 1.00 1.00 H new ATOM 300 N ASP A 45 34.095 5.747 8.939 1.00 1.00 N ATOM 301 CA ASP A 45 32.661 6.052 8.672 1.00 1.00 C ATOM 302 C ASP A 45 32.543 7.453 8.066 1.00 1.00 C ATOM 303 O ASP A 45 33.343 8.326 8.337 1.00 1.00 O ATOM 304 CB ASP A 45 31.874 5.996 9.983 1.00 1.00 C ATOM 305 CG ASP A 45 31.942 4.580 10.558 1.00 1.00 C ATOM 306 OD1 ASP A 45 33.016 4.181 10.975 1.00 1.00 O ATOM 307 OD2 ASP A 45 30.917 3.917 10.570 1.00 1.00 O ATOM 0 H ASP A 45 34.483 6.183 9.775 1.00 1.00 H new ATOM 0 HA ASP A 45 32.257 5.318 7.975 1.00 1.00 H new ATOM 0 HB2 ASP A 45 32.285 6.710 10.697 1.00 1.00 H new ATOM 0 HB3 ASP A 45 30.836 6.280 9.809 1.00 1.00 H new ATOM 308 N LYS A 46 31.552 7.673 7.246 1.00 1.00 N ATOM 309 CA LYS A 46 31.386 9.017 6.623 1.00 1.00 C ATOM 310 C LYS A 46 30.082 9.651 7.113 1.00 1.00 C ATOM 311 O LYS A 46 30.065 10.394 8.075 1.00 1.00 O ATOM 312 CB LYS A 46 31.342 8.871 5.101 1.00 1.00 C ATOM 313 CG LYS A 46 32.699 8.379 4.595 1.00 1.00 C ATOM 314 CD LYS A 46 32.661 8.249 3.071 1.00 1.00 C ATOM 315 CE LYS A 46 34.037 7.820 2.561 1.00 1.00 C ATOM 316 NZ LYS A 46 34.240 8.343 1.180 1.00 1.00 N ATOM 0 H LYS A 46 30.851 6.981 6.981 1.00 1.00 H new ATOM 0 HA LYS A 46 32.226 9.653 6.903 1.00 1.00 H new ATOM 0 HB2 LYS A 46 30.559 8.169 4.815 1.00 1.00 H new ATOM 0 HB3 LYS A 46 31.096 9.828 4.640 1.00 1.00 H new ATOM 0 HG2 LYS A 46 33.483 9.075 4.891 1.00 1.00 H new ATOM 0 HG3 LYS A 46 32.940 7.417 5.046 1.00 1.00 H new ATOM 0 HD2 LYS A 46 31.908 7.518 2.776 1.00 1.00 H new ATOM 0 HD3 LYS A 46 32.375 9.200 2.621 1.00 1.00 H new ATOM 0 HE2 LYS A 46 34.816 8.198 3.223 1.00 1.00 H new ATOM 0 HE3 LYS A 46 34.115 6.733 2.565 1.00 1.00 H new ATOM 0 HZ1 LYS A 46 35.176 8.052 0.832 1.00 1.00 H new ATOM 0 HZ2 LYS A 46 33.503 7.962 0.553 1.00 1.00 H new ATOM 0 HZ3 LYS A 46 34.182 9.381 1.190 1.00 1.00 H new ATOM 370 N ASN A 54 14.684 10.686 -1.203 1.00 1.00 N ATOM 371 CA ASN A 54 14.026 11.972 -0.835 1.00 1.00 C ATOM 372 C ASN A 54 13.089 11.743 0.352 1.00 1.00 C ATOM 373 O ASN A 54 12.048 12.361 0.462 1.00 1.00 O ATOM 374 CB ASN A 54 13.223 12.497 -2.027 1.00 1.00 C ATOM 375 CG ASN A 54 14.030 12.306 -3.312 1.00 1.00 C ATOM 376 OD1 ASN A 54 13.809 11.364 -4.048 1.00 1.00 O ATOM 377 ND2 ASN A 54 14.964 13.165 -3.615 1.00 1.00 N ATOM 0 HA ASN A 54 14.787 12.703 -0.562 1.00 1.00 H new ATOM 0 HB2 ASN A 54 12.273 11.968 -2.100 1.00 1.00 H new ATOM 0 HB3 ASN A 54 12.990 13.552 -1.885 1.00 1.00 H new ATOM 0 HD21 ASN A 54 15.509 13.046 -4.469 1.00 1.00 H new ATOM 0 HD22 ASN A 54 15.150 13.955 -2.998 1.00 1.00 H new ATOM 378 N GLY A 55 13.449 10.860 1.243 1.00 1.00 N ATOM 379 CA GLY A 55 12.578 10.592 2.422 1.00 1.00 C ATOM 380 C GLY A 55 11.584 9.480 2.084 1.00 1.00 C ATOM 381 O GLY A 55 10.698 9.170 2.855 1.00 1.00 O ATOM 0 H GLY A 55 14.309 10.313 1.205 1.00 1.00 H new ATOM 0 HA2 GLY A 55 13.187 10.301 3.278 1.00 1.00 H new ATOM 0 HA3 GLY A 55 12.043 11.498 2.705 1.00 1.00 H new ATOM 382 N HIS A 56 11.723 8.874 0.935 1.00 1.00 N ATOM 383 CA HIS A 56 10.785 7.783 0.551 1.00 1.00 C ATOM 384 C HIS A 56 10.824 6.682 1.613 1.00 1.00 C ATOM 385 O HIS A 56 9.810 6.118 1.974 1.00 1.00 O ATOM 386 CB HIS A 56 11.204 7.202 -0.801 1.00 1.00 C ATOM 387 CG HIS A 56 10.117 6.303 -1.320 1.00 1.00 C ATOM 388 ND1 HIS A 56 8.774 6.629 -1.215 1.00 1.00 N ATOM 389 CD2 HIS A 56 10.158 5.084 -1.951 1.00 1.00 C ATOM 390 CE1 HIS A 56 8.068 5.626 -1.770 1.00 1.00 C ATOM 391 NE2 HIS A 56 8.864 4.659 -2.234 1.00 1.00 N ATOM 0 H HIS A 56 12.445 9.088 0.247 1.00 1.00 H new ATOM 0 HA HIS A 56 9.773 8.182 0.477 1.00 1.00 H new ATOM 0 HB2 HIS A 56 11.395 8.007 -1.511 1.00 1.00 H new ATOM 0 HB3 HIS A 56 12.134 6.643 -0.696 1.00 1.00 H new ATOM 0 HD2 HIS A 56 11.058 4.538 -2.191 1.00 1.00 H new ATOM 0 HE1 HIS A 56 6.990 5.606 -1.832 1.00 1.00 H new ATOM 0 HE2 HIS A 56 8.583 3.794 -2.697 1.00 1.00 H new ATOM 392 N PHE A 57 11.987 6.371 2.115 1.00 1.00 N ATOM 393 CA PHE A 57 12.092 5.307 3.152 1.00 1.00 C ATOM 394 C PHE A 57 13.175 5.687 4.162 1.00 1.00 C ATOM 395 O PHE A 57 12.909 6.329 5.159 1.00 1.00 O ATOM 396 CB PHE A 57 12.462 3.980 2.488 1.00 1.00 C ATOM 397 CG PHE A 57 11.249 3.086 2.439 1.00 1.00 C ATOM 398 CD1 PHE A 57 10.859 2.371 3.579 1.00 1.00 C ATOM 399 CD2 PHE A 57 10.512 2.970 1.253 1.00 1.00 C ATOM 400 CE1 PHE A 57 9.733 1.539 3.533 1.00 1.00 C ATOM 401 CE2 PHE A 57 9.385 2.138 1.207 1.00 1.00 C ATOM 402 CZ PHE A 57 8.995 1.423 2.347 1.00 1.00 C ATOM 0 H PHE A 57 12.870 6.808 1.851 1.00 1.00 H new ATOM 0 HA PHE A 57 11.135 5.203 3.663 1.00 1.00 H new ATOM 0 HB2 PHE A 57 12.837 4.158 1.480 1.00 1.00 H new ATOM 0 HB3 PHE A 57 13.263 3.494 3.045 1.00 1.00 H new ATOM 0 HD1 PHE A 57 11.427 2.461 4.493 1.00 1.00 H new ATOM 0 HD2 PHE A 57 10.812 3.522 0.374 1.00 1.00 H new ATOM 0 HE1 PHE A 57 9.433 0.987 4.412 1.00 1.00 H new ATOM 0 HE2 PHE A 57 8.817 2.048 0.293 1.00 1.00 H new ATOM 0 HZ PHE A 57 8.126 0.783 2.312 1.00 1.00 H new ATOM 403 N TYR A 58 14.396 5.290 3.907 1.00 1.00 N ATOM 404 CA TYR A 58 15.516 5.617 4.837 1.00 1.00 C ATOM 405 C TYR A 58 15.555 4.614 5.997 1.00 1.00 C ATOM 406 O TYR A 58 16.572 4.442 6.639 1.00 1.00 O ATOM 407 CB TYR A 58 15.339 7.034 5.389 1.00 1.00 C ATOM 408 CG TYR A 58 16.658 7.532 5.928 1.00 1.00 C ATOM 409 CD1 TYR A 58 17.594 8.115 5.064 1.00 1.00 C ATOM 410 CD2 TYR A 58 16.946 7.409 7.294 1.00 1.00 C ATOM 411 CE1 TYR A 58 18.818 8.577 5.566 1.00 1.00 C ATOM 412 CE2 TYR A 58 18.170 7.870 7.796 1.00 1.00 C ATOM 413 CZ TYR A 58 19.107 8.454 6.932 1.00 1.00 C ATOM 414 OH TYR A 58 20.312 8.908 7.426 1.00 1.00 O ATOM 0 H TYR A 58 14.666 4.748 3.086 1.00 1.00 H new ATOM 0 HA TYR A 58 16.455 5.558 4.286 1.00 1.00 H new ATOM 0 HB2 TYR A 58 14.980 7.700 4.604 1.00 1.00 H new ATOM 0 HB3 TYR A 58 14.587 7.037 6.178 1.00 1.00 H new ATOM 0 HD1 TYR A 58 17.372 8.208 4.011 1.00 1.00 H new ATOM 0 HD2 TYR A 58 16.224 6.959 7.960 1.00 1.00 H new ATOM 0 HE1 TYR A 58 19.539 9.028 4.900 1.00 1.00 H new ATOM 0 HE2 TYR A 58 18.392 7.775 8.849 1.00 1.00 H new ATOM 0 HH TYR A 58 20.351 8.747 8.392 1.00 1.00 H new ATOM 415 N ARG A 59 14.465 3.950 6.273 1.00 1.00 N ATOM 416 CA ARG A 59 14.456 2.963 7.390 1.00 1.00 C ATOM 417 C ARG A 59 15.177 3.555 8.604 1.00 1.00 C ATOM 418 O ARG A 59 15.901 2.872 9.300 1.00 1.00 O ATOM 419 CB ARG A 59 15.171 1.685 6.947 1.00 1.00 C ATOM 420 CG ARG A 59 14.162 0.538 6.862 1.00 1.00 C ATOM 421 CD ARG A 59 13.193 0.794 5.707 1.00 1.00 C ATOM 422 NE ARG A 59 12.439 -0.455 5.405 1.00 1.00 N ATOM 423 CZ ARG A 59 13.021 -1.427 4.756 1.00 1.00 C ATOM 424 NH1 ARG A 59 13.675 -1.178 3.655 1.00 1.00 N ATOM 425 NH2 ARG A 59 12.947 -2.649 5.209 1.00 1.00 N ATOM 0 H ARG A 59 13.581 4.048 5.773 1.00 1.00 H new ATOM 0 HA ARG A 59 13.426 2.730 7.658 1.00 1.00 H new ATOM 0 HB2 ARG A 59 15.645 1.839 5.978 1.00 1.00 H new ATOM 0 HB3 ARG A 59 15.963 1.435 7.653 1.00 1.00 H new ATOM 0 HG2 ARG A 59 14.683 -0.408 6.711 1.00 1.00 H new ATOM 0 HG3 ARG A 59 13.612 0.453 7.799 1.00 1.00 H new ATOM 0 HD2 ARG A 59 12.501 1.595 5.969 1.00 1.00 H new ATOM 0 HD3 ARG A 59 13.741 1.123 4.824 1.00 1.00 H new ATOM 0 HE ARG A 59 11.469 -0.551 5.705 1.00 1.00 H new ATOM 0 HH11 ARG A 59 13.732 -0.223 3.300 1.00 1.00 H new ATOM 0 HH12 ARG A 59 14.129 -1.938 3.149 1.00 1.00 H new ATOM 0 HH21 ARG A 59 12.435 -2.844 6.069 1.00 1.00 H new ATOM 0 HH22 ARG A 59 13.401 -3.409 4.703 1.00 1.00 H new ATOM 426 N GLY A 60 14.985 4.819 8.864 1.00 1.00 N ATOM 427 CA GLY A 60 15.662 5.449 10.034 1.00 1.00 C ATOM 428 C GLY A 60 14.613 5.886 11.058 1.00 1.00 C ATOM 429 O GLY A 60 13.584 5.259 11.213 1.00 1.00 O ATOM 0 H GLY A 60 14.390 5.442 8.318 1.00 1.00 H new ATOM 0 HA2 GLY A 60 16.357 4.743 10.489 1.00 1.00 H new ATOM 0 HA3 GLY A 60 16.248 6.309 9.709 1.00 1.00 H new ATOM 430 N LYS A 61 14.866 6.958 11.759 1.00 1.00 N ATOM 431 CA LYS A 61 13.884 7.432 12.774 1.00 1.00 C ATOM 432 C LYS A 61 13.542 8.900 12.512 1.00 1.00 C ATOM 433 O LYS A 61 14.411 9.743 12.407 1.00 1.00 O ATOM 434 CB LYS A 61 14.488 7.291 14.172 1.00 1.00 C ATOM 435 CG LYS A 61 13.500 6.561 15.084 1.00 1.00 C ATOM 436 CD LYS A 61 13.502 7.216 16.467 1.00 1.00 C ATOM 437 CE LYS A 61 12.756 8.550 16.401 1.00 1.00 C ATOM 438 NZ LYS A 61 13.648 9.643 16.883 1.00 1.00 N ATOM 0 H LYS A 61 15.709 7.525 11.672 1.00 1.00 H new ATOM 0 HA LYS A 61 12.976 6.832 12.707 1.00 1.00 H new ATOM 0 HB2 LYS A 61 15.427 6.740 14.120 1.00 1.00 H new ATOM 0 HB3 LYS A 61 14.718 8.275 14.581 1.00 1.00 H new ATOM 0 HG2 LYS A 61 12.499 6.596 14.655 1.00 1.00 H new ATOM 0 HG3 LYS A 61 13.775 5.509 15.168 1.00 1.00 H new ATOM 0 HD2 LYS A 61 13.027 6.557 17.194 1.00 1.00 H new ATOM 0 HD3 LYS A 61 14.526 7.376 16.804 1.00 1.00 H new ATOM 0 HE2 LYS A 61 12.438 8.751 15.378 1.00 1.00 H new ATOM 0 HE3 LYS A 61 11.855 8.505 17.012 1.00 1.00 H new ATOM 0 HZ1 LYS A 61 13.141 10.550 16.838 1.00 1.00 H new ATOM 0 HZ2 LYS A 61 13.931 9.453 17.866 1.00 1.00 H new ATOM 0 HZ3 LYS A 61 14.495 9.690 16.282 1.00 1.00 H new ATOM 439 N ALA A 62 12.279 9.210 12.407 1.00 1.00 N ATOM 440 CA ALA A 62 11.868 10.620 12.153 1.00 1.00 C ATOM 441 C ALA A 62 10.357 10.662 11.927 1.00 1.00 C ATOM 442 O ALA A 62 9.888 10.715 10.807 1.00 1.00 O ATOM 443 CB ALA A 62 12.586 11.149 10.910 1.00 1.00 C ATOM 0 H ALA A 62 11.510 8.544 12.487 1.00 1.00 H new ATOM 0 HA ALA A 62 12.132 11.241 13.009 1.00 1.00 H new ATOM 0 HB1 ALA A 62 12.284 12.180 10.726 1.00 1.00 H new ATOM 0 HB2 ALA A 62 13.664 11.109 11.068 1.00 1.00 H new ATOM 0 HB3 ALA A 62 12.323 10.535 10.049 1.00 1.00 H new ATOM 444 N SER A 63 9.590 10.628 12.981 1.00 1.00 N ATOM 445 CA SER A 63 8.109 10.653 12.825 1.00 1.00 C ATOM 446 C SER A 63 7.571 12.050 13.141 1.00 1.00 C ATOM 447 O SER A 63 6.391 12.309 13.013 1.00 1.00 O ATOM 448 CB SER A 63 7.483 9.640 13.782 1.00 1.00 C ATOM 449 OG SER A 63 8.334 9.468 14.907 1.00 1.00 O ATOM 0 H SER A 63 9.925 10.584 13.944 1.00 1.00 H new ATOM 0 HA SER A 63 7.854 10.397 11.797 1.00 1.00 H new ATOM 0 HB2 SER A 63 6.501 9.986 14.104 1.00 1.00 H new ATOM 0 HB3 SER A 63 7.335 8.687 13.275 1.00 1.00 H new ATOM 0 HG SER A 63 7.934 8.820 15.524 1.00 1.00 H new ATOM 450 N THR A 64 8.417 12.955 13.552 1.00 1.00 N ATOM 451 CA THR A 64 7.925 14.325 13.869 1.00 1.00 C ATOM 452 C THR A 64 8.068 15.221 12.638 1.00 1.00 C ATOM 453 O THR A 64 8.912 15.002 11.795 1.00 1.00 O ATOM 454 CB THR A 64 8.733 14.921 15.026 1.00 1.00 C ATOM 455 OG1 THR A 64 10.067 15.155 14.599 1.00 1.00 O ATOM 456 CG2 THR A 64 8.736 13.954 16.210 1.00 1.00 C ATOM 0 H THR A 64 9.418 12.807 13.681 1.00 1.00 H new ATOM 0 HA THR A 64 6.876 14.264 14.158 1.00 1.00 H new ATOM 0 HB THR A 64 8.278 15.862 15.335 1.00 1.00 H new ATOM 0 HG1 THR A 64 10.585 15.538 15.338 1.00 1.00 H new ATOM 0 HG21 THR A 64 9.312 14.384 17.029 1.00 1.00 H new ATOM 0 HG22 THR A 64 7.712 13.779 16.539 1.00 1.00 H new ATOM 0 HG23 THR A 64 9.186 13.009 15.907 1.00 1.00 H new ATOM 457 N ASP A 65 7.245 16.229 12.527 1.00 1.00 N ATOM 458 CA ASP A 65 7.333 17.134 11.344 1.00 1.00 C ATOM 459 C ASP A 65 8.570 18.035 11.464 1.00 1.00 C ATOM 460 O ASP A 65 9.564 17.661 12.054 1.00 1.00 O ATOM 461 CB ASP A 65 6.070 17.990 11.259 1.00 1.00 C ATOM 462 CG ASP A 65 5.937 18.846 12.520 1.00 1.00 C ATOM 463 OD1 ASP A 65 6.483 18.457 13.538 1.00 1.00 O ATOM 464 OD2 ASP A 65 5.292 19.879 12.445 1.00 1.00 O ATOM 0 H ASP A 65 6.518 16.465 13.202 1.00 1.00 H new ATOM 0 HA ASP A 65 7.421 16.534 10.439 1.00 1.00 H new ATOM 0 HB2 ASP A 65 6.112 18.629 10.377 1.00 1.00 H new ATOM 0 HB3 ASP A 65 5.194 17.351 11.148 1.00 1.00 H new ATOM 465 N THR A 66 8.520 19.219 10.908 1.00 1.00 N ATOM 466 CA THR A 66 9.688 20.140 10.987 1.00 1.00 C ATOM 467 C THR A 66 9.616 20.949 12.280 1.00 1.00 C ATOM 468 O THR A 66 10.196 22.011 12.388 1.00 1.00 O ATOM 469 CB THR A 66 9.666 21.097 9.792 1.00 1.00 C ATOM 470 OG1 THR A 66 8.373 21.673 9.674 1.00 1.00 O ATOM 471 CG2 THR A 66 10.004 20.331 8.512 1.00 1.00 C ATOM 0 H THR A 66 7.715 19.587 10.401 1.00 1.00 H new ATOM 0 HA THR A 66 10.608 19.556 10.973 1.00 1.00 H new ATOM 0 HB THR A 66 10.404 21.885 9.944 1.00 1.00 H new ATOM 0 HG1 THR A 66 8.357 22.287 8.911 1.00 1.00 H new ATOM 0 HG21 THR A 66 9.987 21.015 7.664 1.00 1.00 H new ATOM 0 HG22 THR A 66 10.997 19.890 8.603 1.00 1.00 H new ATOM 0 HG23 THR A 66 9.269 19.541 8.356 1.00 1.00 H new ATOM 472 N MET A 67 8.910 20.466 13.262 1.00 1.00 N ATOM 473 CA MET A 67 8.810 21.221 14.535 1.00 1.00 C ATOM 474 C MET A 67 9.147 20.284 15.689 1.00 1.00 C ATOM 475 O MET A 67 9.896 20.621 16.585 1.00 1.00 O ATOM 476 CB MET A 67 7.387 21.756 14.705 1.00 1.00 C ATOM 477 CG MET A 67 7.313 23.189 14.175 1.00 1.00 C ATOM 478 SD MET A 67 5.875 23.356 13.088 1.00 1.00 S ATOM 479 CE MET A 67 6.610 22.593 11.621 1.00 1.00 C ATOM 0 H MET A 67 8.400 19.583 13.236 1.00 1.00 H new ATOM 0 HA MET A 67 9.506 22.060 14.524 1.00 1.00 H new ATOM 0 HB2 MET A 67 6.682 21.122 14.168 1.00 1.00 H new ATOM 0 HB3 MET A 67 7.101 21.731 15.757 1.00 1.00 H new ATOM 0 HG2 MET A 67 7.239 23.892 15.005 1.00 1.00 H new ATOM 0 HG3 MET A 67 8.225 23.434 13.630 1.00 1.00 H new ATOM 0 HE1 MET A 67 5.866 22.541 10.826 1.00 1.00 H new ATOM 0 HE2 MET A 67 7.458 23.191 11.286 1.00 1.00 H new ATOM 0 HE3 MET A 67 6.950 21.587 11.866 1.00 1.00 H new ATOM 480 N GLY A 68 8.601 19.104 15.663 1.00 1.00 N ATOM 481 CA GLY A 68 8.882 18.124 16.743 1.00 1.00 C ATOM 482 C GLY A 68 7.619 17.319 17.033 1.00 1.00 C ATOM 483 O GLY A 68 7.682 16.187 17.468 1.00 1.00 O ATOM 0 H GLY A 68 7.968 18.774 14.935 1.00 1.00 H new ATOM 0 HA2 GLY A 68 9.691 17.458 16.444 1.00 1.00 H new ATOM 0 HA3 GLY A 68 9.212 18.642 17.643 1.00 1.00 H new ATOM 484 N ARG A 69 6.470 17.884 16.783 1.00 1.00 N ATOM 485 CA ARG A 69 5.215 17.126 17.037 1.00 1.00 C ATOM 486 C ARG A 69 5.356 15.754 16.390 1.00 1.00 C ATOM 487 O ARG A 69 5.988 15.629 15.363 1.00 1.00 O ATOM 488 CB ARG A 69 4.017 17.837 16.403 1.00 1.00 C ATOM 489 CG ARG A 69 3.970 19.304 16.831 1.00 1.00 C ATOM 490 CD ARG A 69 3.371 20.127 15.690 1.00 1.00 C ATOM 491 NE ARG A 69 3.514 21.579 15.993 1.00 1.00 N ATOM 492 CZ ARG A 69 3.291 22.467 15.061 1.00 1.00 C ATOM 493 NH1 ARG A 69 2.822 22.096 13.900 1.00 1.00 N ATOM 494 NH2 ARG A 69 3.538 23.727 15.291 1.00 1.00 N ATOM 0 H ARG A 69 6.347 18.828 16.417 1.00 1.00 H new ATOM 0 HA ARG A 69 5.052 17.048 18.112 1.00 1.00 H new ATOM 0 HB2 ARG A 69 4.082 17.772 15.317 1.00 1.00 H new ATOM 0 HB3 ARG A 69 3.094 17.337 16.697 1.00 1.00 H new ATOM 0 HG2 ARG A 69 3.369 19.416 17.734 1.00 1.00 H new ATOM 0 HG3 ARG A 69 4.972 19.661 17.069 1.00 1.00 H new ATOM 0 HD2 ARG A 69 3.875 19.889 14.753 1.00 1.00 H new ATOM 0 HD3 ARG A 69 2.319 19.874 15.559 1.00 1.00 H new ATOM 0 HE ARG A 69 3.786 21.880 16.929 1.00 1.00 H new ATOM 0 HH11 ARG A 69 2.629 21.111 13.719 1.00 1.00 H new ATOM 0 HH12 ARG A 69 2.649 22.791 13.174 1.00 1.00 H new ATOM 0 HH21 ARG A 69 3.905 24.018 16.197 1.00 1.00 H new ATOM 0 HH22 ARG A 69 3.365 24.422 14.564 1.00 1.00 H new ATOM 495 N PRO A 70 4.753 14.767 16.996 1.00 1.00 N ATOM 496 CA PRO A 70 4.799 13.413 16.474 1.00 1.00 C ATOM 497 C PRO A 70 3.949 13.316 15.202 1.00 1.00 C ATOM 498 O PRO A 70 3.879 12.283 14.567 1.00 1.00 O ATOM 499 CB PRO A 70 4.215 12.554 17.588 1.00 1.00 C ATOM 500 CG PRO A 70 3.305 13.548 18.377 1.00 1.00 C ATOM 501 CD PRO A 70 3.987 14.939 18.239 1.00 1.00 C ATOM 0 HA PRO A 70 5.806 13.096 16.203 1.00 1.00 H new ATOM 0 HB2 PRO A 70 3.643 11.716 17.190 1.00 1.00 H new ATOM 0 HB3 PRO A 70 4.996 12.135 18.223 1.00 1.00 H new ATOM 0 HG2 PRO A 70 2.295 13.564 17.967 1.00 1.00 H new ATOM 0 HG3 PRO A 70 3.220 13.255 19.423 1.00 1.00 H new ATOM 0 HD2 PRO A 70 3.259 15.747 18.164 1.00 1.00 H new ATOM 0 HD3 PRO A 70 4.630 15.167 19.089 1.00 1.00 H new ATOM 502 N CYS A 71 3.303 14.390 14.826 1.00 1.00 N ATOM 503 CA CYS A 71 2.463 14.363 13.599 1.00 1.00 C ATOM 504 C CYS A 71 1.223 13.506 13.858 1.00 1.00 C ATOM 505 O CYS A 71 1.130 12.824 14.859 1.00 1.00 O ATOM 506 CB CYS A 71 3.269 13.759 12.447 1.00 1.00 C ATOM 507 SG CYS A 71 2.497 14.194 10.869 1.00 1.00 S ATOM 0 H CYS A 71 3.323 15.283 15.318 1.00 1.00 H new ATOM 0 HA CYS A 71 2.159 15.377 13.338 1.00 1.00 H new ATOM 0 HB2 CYS A 71 4.294 14.128 12.475 1.00 1.00 H new ATOM 0 HB3 CYS A 71 3.317 12.675 12.553 1.00 1.00 H new ATOM 508 N LEU A 72 0.270 13.529 12.967 1.00 1.00 N ATOM 509 CA LEU A 72 -0.954 12.706 13.176 1.00 1.00 C ATOM 510 C LEU A 72 -0.746 11.323 12.554 1.00 1.00 C ATOM 511 O LEU A 72 -0.160 11.207 11.496 1.00 1.00 O ATOM 512 CB LEU A 72 -2.152 13.378 12.501 1.00 1.00 C ATOM 513 CG LEU A 72 -2.306 14.808 13.016 1.00 1.00 C ATOM 514 CD1 LEU A 72 -2.761 15.712 11.871 1.00 1.00 C ATOM 515 CD2 LEU A 72 -3.353 14.836 14.131 1.00 1.00 C ATOM 0 H LEU A 72 0.286 14.079 12.108 1.00 1.00 H new ATOM 0 HA LEU A 72 -1.143 12.611 14.245 1.00 1.00 H new ATOM 0 HB2 LEU A 72 -2.014 13.385 11.420 1.00 1.00 H new ATOM 0 HB3 LEU A 72 -3.060 12.810 12.703 1.00 1.00 H new ATOM 0 HG LEU A 72 -1.351 15.162 13.404 1.00 1.00 H new ATOM 0 HD11 LEU A 72 -2.872 16.733 12.236 1.00 1.00 H new ATOM 0 HD12 LEU A 72 -2.019 15.690 11.073 1.00 1.00 H new ATOM 0 HD13 LEU A 72 -3.718 15.358 11.486 1.00 1.00 H new ATOM 0 HD21 LEU A 72 -3.464 15.856 14.500 1.00 1.00 H new ATOM 0 HD22 LEU A 72 -4.309 14.484 13.742 1.00 1.00 H new ATOM 0 HD23 LEU A 72 -3.033 14.188 14.947 1.00 1.00 H new ATOM 516 N PRO A 73 -1.246 10.311 13.219 1.00 1.00 N ATOM 517 CA PRO A 73 -1.132 8.948 12.731 1.00 1.00 C ATOM 518 C PRO A 73 -2.054 8.766 11.526 1.00 1.00 C ATOM 519 O PRO A 73 -3.180 9.210 11.533 1.00 1.00 O ATOM 520 CB PRO A 73 -1.592 8.082 13.898 1.00 1.00 C ATOM 521 CG PRO A 73 -2.524 9.033 14.713 1.00 1.00 C ATOM 522 CD PRO A 73 -1.954 10.465 14.498 1.00 1.00 C ATOM 0 HA PRO A 73 -0.123 8.690 12.410 1.00 1.00 H new ATOM 0 HB2 PRO A 73 -2.125 7.196 13.554 1.00 1.00 H new ATOM 0 HB3 PRO A 73 -0.750 7.735 14.497 1.00 1.00 H new ATOM 0 HG2 PRO A 73 -3.554 8.965 14.364 1.00 1.00 H new ATOM 0 HG3 PRO A 73 -2.527 8.767 15.770 1.00 1.00 H new ATOM 0 HD2 PRO A 73 -2.742 11.216 14.442 1.00 1.00 H new ATOM 0 HD3 PRO A 73 -1.284 10.765 15.304 1.00 1.00 H new ATOM 523 N TRP A 74 -1.590 8.123 10.492 1.00 1.00 N ATOM 524 CA TRP A 74 -2.455 7.928 9.291 1.00 1.00 C ATOM 525 C TRP A 74 -3.847 7.447 9.728 1.00 1.00 C ATOM 526 O TRP A 74 -4.817 7.607 9.015 1.00 1.00 O ATOM 527 CB TRP A 74 -1.813 6.904 8.347 1.00 1.00 C ATOM 528 CG TRP A 74 -0.352 7.206 8.197 1.00 1.00 C ATOM 529 CD1 TRP A 74 0.636 6.675 8.956 1.00 1.00 C ATOM 530 CD2 TRP A 74 0.301 8.093 7.240 1.00 1.00 C ATOM 531 NE1 TRP A 74 1.850 7.190 8.535 1.00 1.00 N ATOM 532 CE2 TRP A 74 1.696 8.067 7.480 1.00 1.00 C ATOM 533 CE3 TRP A 74 -0.178 8.914 6.201 1.00 1.00 C ATOM 534 CZ2 TRP A 74 2.584 8.828 6.715 1.00 1.00 C ATOM 535 CZ3 TRP A 74 0.712 9.680 5.429 1.00 1.00 C ATOM 536 CH2 TRP A 74 2.090 9.638 5.687 1.00 1.00 C ATOM 0 H TRP A 74 -0.653 7.725 10.424 1.00 1.00 H new ATOM 0 HA TRP A 74 -2.558 8.876 8.763 1.00 1.00 H new ATOM 0 HB2 TRP A 74 -1.948 5.897 8.741 1.00 1.00 H new ATOM 0 HB3 TRP A 74 -2.303 6.934 7.374 1.00 1.00 H new ATOM 0 HD1 TRP A 74 0.499 5.966 9.759 1.00 1.00 H new ATOM 0 HE1 TRP A 74 2.749 6.951 8.953 1.00 1.00 H new ATOM 0 HE3 TRP A 74 -1.238 8.955 5.996 1.00 1.00 H new ATOM 0 HZ2 TRP A 74 3.644 8.791 6.916 1.00 1.00 H new ATOM 0 HZ3 TRP A 74 0.333 10.304 4.633 1.00 1.00 H new ATOM 0 HH2 TRP A 74 2.769 10.231 5.092 1.00 1.00 H new ATOM 537 N ASN A 75 -3.957 6.863 10.893 1.00 1.00 N ATOM 538 CA ASN A 75 -5.291 6.380 11.362 1.00 1.00 C ATOM 539 C ASN A 75 -6.163 7.566 11.798 1.00 1.00 C ATOM 540 O ASN A 75 -7.342 7.609 11.507 1.00 1.00 O ATOM 541 CB ASN A 75 -5.101 5.426 12.544 1.00 1.00 C ATOM 542 CG ASN A 75 -6.461 5.111 13.170 1.00 1.00 C ATOM 543 OD1 ASN A 75 -6.728 5.491 14.293 1.00 1.00 O ATOM 544 ND2 ASN A 75 -7.337 4.427 12.487 1.00 1.00 N ATOM 0 H ASN A 75 -3.184 6.700 11.538 1.00 1.00 H new ATOM 0 HA ASN A 75 -5.786 5.859 10.543 1.00 1.00 H new ATOM 0 HB2 ASN A 75 -4.621 4.506 12.209 1.00 1.00 H new ATOM 0 HB3 ASN A 75 -4.443 5.877 13.287 1.00 1.00 H new ATOM 0 HD21 ASN A 75 -8.246 4.211 12.896 1.00 1.00 H new ATOM 0 HD22 ASN A 75 -7.113 4.108 11.544 1.00 1.00 H new ATOM 545 N SER A 76 -5.590 8.516 12.498 1.00 1.00 N ATOM 546 CA SER A 76 -6.359 9.704 12.969 1.00 1.00 C ATOM 547 C SER A 76 -7.416 10.072 11.936 1.00 1.00 C ATOM 548 O SER A 76 -7.121 10.597 10.887 1.00 1.00 O ATOM 549 CB SER A 76 -5.406 10.883 13.165 1.00 1.00 C ATOM 550 OG SER A 76 -6.075 12.089 12.823 1.00 1.00 O ATOM 0 H SER A 76 -4.606 8.515 12.765 1.00 1.00 H new ATOM 0 HA SER A 76 -6.845 9.467 13.915 1.00 1.00 H new ATOM 0 HB2 SER A 76 -5.066 10.923 14.200 1.00 1.00 H new ATOM 0 HB3 SER A 76 -4.520 10.756 12.543 1.00 1.00 H new ATOM 0 HG SER A 76 -5.428 12.825 12.794 1.00 1.00 H new ATOM 551 N ALA A 77 -8.640 9.768 12.242 1.00 1.00 N ATOM 552 CA ALA A 77 -9.776 10.043 11.304 1.00 1.00 C ATOM 553 C ALA A 77 -9.512 11.300 10.465 1.00 1.00 C ATOM 554 O ALA A 77 -9.891 11.369 9.313 1.00 1.00 O ATOM 555 CB ALA A 77 -11.058 10.243 12.115 1.00 1.00 C ATOM 0 H ALA A 77 -8.916 9.330 13.121 1.00 1.00 H new ATOM 0 HA ALA A 77 -9.878 9.193 10.629 1.00 1.00 H new ATOM 0 HB1 ALA A 77 -11.889 10.444 11.439 1.00 1.00 H new ATOM 0 HB2 ALA A 77 -11.268 9.342 12.691 1.00 1.00 H new ATOM 0 HB3 ALA A 77 -10.931 11.086 12.794 1.00 1.00 H new ATOM 556 N THR A 78 -8.865 12.288 11.015 1.00 1.00 N ATOM 557 CA THR A 78 -8.588 13.519 10.217 1.00 1.00 C ATOM 558 C THR A 78 -7.786 13.141 8.974 1.00 1.00 C ATOM 559 O THR A 78 -8.227 13.330 7.858 1.00 1.00 O ATOM 560 CB THR A 78 -7.774 14.504 11.058 1.00 1.00 C ATOM 561 OG1 THR A 78 -8.064 14.303 12.434 1.00 1.00 O ATOM 562 CG2 THR A 78 -8.132 15.937 10.662 1.00 1.00 C ATOM 0 H THR A 78 -8.518 12.300 11.974 1.00 1.00 H new ATOM 0 HA THR A 78 -9.531 13.982 9.925 1.00 1.00 H new ATOM 0 HB THR A 78 -6.711 14.338 10.883 1.00 1.00 H new ATOM 0 HG1 THR A 78 -7.425 13.664 12.813 1.00 1.00 H new ATOM 0 HG21 THR A 78 -7.551 16.637 11.263 1.00 1.00 H new ATOM 0 HG22 THR A 78 -7.906 16.090 9.607 1.00 1.00 H new ATOM 0 HG23 THR A 78 -9.195 16.107 10.834 1.00 1.00 H new ATOM 563 N VAL A 79 -6.612 12.604 9.155 1.00 1.00 N ATOM 564 CA VAL A 79 -5.793 12.209 7.993 1.00 1.00 C ATOM 565 C VAL A 79 -6.528 11.096 7.241 1.00 1.00 C ATOM 566 O VAL A 79 -6.607 11.101 6.030 1.00 1.00 O ATOM 567 CB VAL A 79 -4.426 11.734 8.492 1.00 1.00 C ATOM 568 CG1 VAL A 79 -4.572 10.931 9.784 1.00 1.00 C ATOM 569 CG2 VAL A 79 -3.779 10.855 7.442 1.00 1.00 C ATOM 0 H VAL A 79 -6.189 12.424 10.065 1.00 1.00 H new ATOM 0 HA VAL A 79 -5.638 13.048 7.314 1.00 1.00 H new ATOM 0 HB VAL A 79 -3.807 12.611 8.684 1.00 1.00 H new ATOM 0 HG11 VAL A 79 -3.589 10.603 10.122 1.00 1.00 H new ATOM 0 HG12 VAL A 79 -5.029 11.556 10.551 1.00 1.00 H new ATOM 0 HG13 VAL A 79 -5.202 10.061 9.602 1.00 1.00 H new ATOM 0 HG21 VAL A 79 -2.806 10.518 7.799 1.00 1.00 H new ATOM 0 HG22 VAL A 79 -4.414 9.991 7.249 1.00 1.00 H new ATOM 0 HG23 VAL A 79 -3.650 11.423 6.521 1.00 1.00 H new ATOM 570 N LEU A 80 -7.098 10.160 7.950 1.00 1.00 N ATOM 571 CA LEU A 80 -7.856 9.079 7.270 1.00 1.00 C ATOM 572 C LEU A 80 -8.798 9.744 6.269 1.00 1.00 C ATOM 573 O LEU A 80 -9.179 9.175 5.267 1.00 1.00 O ATOM 574 CB LEU A 80 -8.668 8.289 8.299 1.00 1.00 C ATOM 575 CG LEU A 80 -7.902 7.025 8.700 1.00 1.00 C ATOM 576 CD1 LEU A 80 -8.789 6.150 9.586 1.00 1.00 C ATOM 577 CD2 LEU A 80 -7.511 6.242 7.444 1.00 1.00 C ATOM 0 H LEU A 80 -7.070 10.100 8.968 1.00 1.00 H new ATOM 0 HA LEU A 80 -7.178 8.391 6.765 1.00 1.00 H new ATOM 0 HB2 LEU A 80 -8.858 8.905 9.178 1.00 1.00 H new ATOM 0 HB3 LEU A 80 -9.639 8.021 7.882 1.00 1.00 H new ATOM 0 HG LEU A 80 -7.003 7.307 9.248 1.00 1.00 H new ATOM 0 HD11 LEU A 80 -8.244 5.250 9.871 1.00 1.00 H new ATOM 0 HD12 LEU A 80 -9.068 6.705 10.482 1.00 1.00 H new ATOM 0 HD13 LEU A 80 -9.688 5.870 9.037 1.00 1.00 H new ATOM 0 HD21 LEU A 80 -6.966 5.343 7.731 1.00 1.00 H new ATOM 0 HD22 LEU A 80 -8.410 5.962 6.895 1.00 1.00 H new ATOM 0 HD23 LEU A 80 -6.878 6.863 6.810 1.00 1.00 H new ATOM 578 N GLN A 81 -9.161 10.967 6.550 1.00 1.00 N ATOM 579 CA GLN A 81 -10.064 11.727 5.647 1.00 1.00 C ATOM 580 C GLN A 81 -9.248 12.268 4.467 1.00 1.00 C ATOM 581 O GLN A 81 -9.677 12.232 3.331 1.00 1.00 O ATOM 582 CB GLN A 81 -10.672 12.892 6.435 1.00 1.00 C ATOM 583 CG GLN A 81 -12.190 12.731 6.505 1.00 1.00 C ATOM 584 CD GLN A 81 -12.775 13.801 7.429 1.00 1.00 C ATOM 585 OE1 GLN A 81 -12.160 14.946 7.552 1.00 1.00 O flip ATOM 586 NE2 GLN A 81 -13.801 13.594 8.045 1.00 1.00 N flip ATOM 0 H GLN A 81 -8.863 11.477 7.382 1.00 1.00 H new ATOM 0 HA GLN A 81 -10.859 11.083 5.270 1.00 1.00 H new ATOM 0 HB2 GLN A 81 -10.253 12.921 7.441 1.00 1.00 H new ATOM 0 HB3 GLN A 81 -10.419 13.838 5.957 1.00 1.00 H new ATOM 0 HG2 GLN A 81 -12.622 12.820 5.508 1.00 1.00 H new ATOM 0 HG3 GLN A 81 -12.444 11.738 6.875 1.00 1.00 H new ATOM 0 HE21 GLN A 81 -14.282 12.700 7.949 1.00 1.00 H new ATOM 0 HE22 GLN A 81 -14.182 14.315 8.658 1.00 1.00 H new ATOM 587 N GLN A 82 -8.072 12.770 4.738 1.00 1.00 N ATOM 588 CA GLN A 82 -7.207 13.318 3.651 1.00 1.00 C ATOM 589 C GLN A 82 -6.925 12.231 2.605 1.00 1.00 C ATOM 590 O GLN A 82 -7.754 11.385 2.337 1.00 1.00 O ATOM 591 CB GLN A 82 -5.887 13.795 4.261 1.00 1.00 C ATOM 592 CG GLN A 82 -6.175 14.741 5.429 1.00 1.00 C ATOM 593 CD GLN A 82 -6.040 16.190 4.959 1.00 1.00 C ATOM 594 OE1 GLN A 82 -4.995 16.593 4.487 1.00 1.00 O ATOM 595 NE2 GLN A 82 -7.060 16.997 5.069 1.00 1.00 N ATOM 0 H GLN A 82 -7.670 12.824 5.674 1.00 1.00 H new ATOM 0 HA GLN A 82 -7.716 14.151 3.166 1.00 1.00 H new ATOM 0 HB2 GLN A 82 -5.304 12.941 4.606 1.00 1.00 H new ATOM 0 HB3 GLN A 82 -5.289 14.305 3.506 1.00 1.00 H new ATOM 0 HG2 GLN A 82 -7.179 14.565 5.814 1.00 1.00 H new ATOM 0 HG3 GLN A 82 -5.481 14.547 6.247 1.00 1.00 H new ATOM 0 HE21 GLN A 82 -7.937 16.659 5.465 1.00 1.00 H new ATOM 0 HE22 GLN A 82 -6.980 17.965 4.759 1.00 1.00 H new ATOM 596 N THR A 83 -5.760 12.250 2.008 1.00 1.00 N ATOM 597 CA THR A 83 -5.430 11.218 0.979 1.00 1.00 C ATOM 598 C THR A 83 -4.557 10.125 1.609 1.00 1.00 C ATOM 599 O THR A 83 -5.049 9.266 2.315 1.00 1.00 O ATOM 600 CB THR A 83 -4.685 11.873 -0.189 1.00 1.00 C ATOM 601 OG1 THR A 83 -3.985 13.018 0.277 1.00 1.00 O ATOM 602 CG2 THR A 83 -5.686 12.288 -1.267 1.00 1.00 C ATOM 0 H THR A 83 -5.025 12.934 2.188 1.00 1.00 H new ATOM 0 HA THR A 83 -6.351 10.770 0.607 1.00 1.00 H new ATOM 0 HB THR A 83 -3.975 11.161 -0.610 1.00 1.00 H new ATOM 0 HG1 THR A 83 -3.055 12.777 0.470 1.00 1.00 H new ATOM 0 HG21 THR A 83 -5.155 12.754 -2.097 1.00 1.00 H new ATOM 0 HG22 THR A 83 -6.220 11.408 -1.626 1.00 1.00 H new ATOM 0 HG23 THR A 83 -6.398 12.999 -0.848 1.00 1.00 H new ATOM 603 N TYR A 84 -3.267 10.140 1.371 1.00 1.00 N ATOM 604 CA TYR A 84 -2.399 9.090 1.974 1.00 1.00 C ATOM 605 C TYR A 84 -2.613 9.094 3.483 1.00 1.00 C ATOM 606 O TYR A 84 -1.991 9.838 4.215 1.00 1.00 O ATOM 607 CB TYR A 84 -0.934 9.369 1.638 1.00 1.00 C ATOM 608 CG TYR A 84 -0.688 9.013 0.190 1.00 1.00 C ATOM 609 CD1 TYR A 84 -0.416 7.688 -0.173 1.00 1.00 C ATOM 610 CD2 TYR A 84 -0.734 10.013 -0.790 1.00 1.00 C ATOM 611 CE1 TYR A 84 -0.191 7.363 -1.517 1.00 1.00 C ATOM 612 CE2 TYR A 84 -0.509 9.689 -2.133 1.00 1.00 C ATOM 613 CZ TYR A 84 -0.237 8.365 -2.497 1.00 1.00 C ATOM 614 OH TYR A 84 -0.015 8.045 -3.821 1.00 1.00 O ATOM 0 H TYR A 84 -2.786 10.827 0.791 1.00 1.00 H new ATOM 0 HA TYR A 84 -2.658 8.111 1.572 1.00 1.00 H new ATOM 0 HB2 TYR A 84 -0.700 10.419 1.813 1.00 1.00 H new ATOM 0 HB3 TYR A 84 -0.281 8.785 2.286 1.00 1.00 H new ATOM 0 HD1 TYR A 84 -0.380 6.917 0.583 1.00 1.00 H new ATOM 0 HD2 TYR A 84 -0.943 11.035 -0.509 1.00 1.00 H new ATOM 0 HE1 TYR A 84 0.018 6.341 -1.798 1.00 1.00 H new ATOM 0 HE2 TYR A 84 -0.545 10.460 -2.888 1.00 1.00 H new ATOM 0 HH TYR A 84 -0.869 8.030 -4.302 1.00 1.00 H new ATOM 615 N HIS A 85 -3.525 8.288 3.941 1.00 1.00 N ATOM 616 CA HIS A 85 -3.839 8.252 5.393 1.00 1.00 C ATOM 617 C HIS A 85 -4.032 6.808 5.854 1.00 1.00 C ATOM 618 O HIS A 85 -4.372 6.564 6.993 1.00 1.00 O ATOM 619 CB HIS A 85 -5.135 9.017 5.597 1.00 1.00 C ATOM 620 CG HIS A 85 -6.200 8.359 4.768 1.00 1.00 C ATOM 621 ND1 HIS A 85 -7.003 9.059 3.884 1.00 1.00 N ATOM 622 CD2 HIS A 85 -6.605 7.054 4.689 1.00 1.00 C ATOM 623 CE1 HIS A 85 -7.844 8.172 3.317 1.00 1.00 C ATOM 624 NE2 HIS A 85 -7.641 6.937 3.772 1.00 1.00 N ATOM 0 H HIS A 85 -4.072 7.647 3.366 1.00 1.00 H new ATOM 0 HA HIS A 85 -3.024 8.694 5.967 1.00 1.00 H new ATOM 0 HB2 HIS A 85 -5.417 9.015 6.650 1.00 1.00 H new ATOM 0 HB3 HIS A 85 -5.012 10.059 5.302 1.00 1.00 H new ATOM 0 HD1 HIS A 85 -6.965 10.061 3.697 1.00 1.00 H new ATOM 0 HD2 HIS A 85 -6.182 6.237 5.255 1.00 1.00 H new ATOM 0 HE1 HIS A 85 -8.592 8.431 2.582 1.00 1.00 H new ATOM 625 N ALA A 86 -3.820 5.860 4.975 1.00 1.00 N ATOM 626 CA ALA A 86 -3.982 4.414 5.334 1.00 1.00 C ATOM 627 C ALA A 86 -5.401 3.938 4.996 1.00 1.00 C ATOM 628 O ALA A 86 -5.934 3.061 5.644 1.00 1.00 O ATOM 629 CB ALA A 86 -3.711 4.204 6.829 1.00 1.00 C ATOM 0 H ALA A 86 -3.537 6.028 4.009 1.00 1.00 H new ATOM 0 HA ALA A 86 -3.264 3.833 4.756 1.00 1.00 H new ATOM 0 HB1 ALA A 86 -3.832 3.149 7.076 1.00 1.00 H new ATOM 0 HB2 ALA A 86 -2.693 4.517 7.062 1.00 1.00 H new ATOM 0 HB3 ALA A 86 -4.415 4.797 7.413 1.00 1.00 H new ATOM 630 N HIS A 87 -6.013 4.495 3.980 1.00 1.00 N ATOM 631 CA HIS A 87 -7.393 4.053 3.602 1.00 1.00 C ATOM 632 C HIS A 87 -7.773 4.633 2.234 1.00 1.00 C ATOM 633 O HIS A 87 -8.938 4.785 1.923 1.00 1.00 O ATOM 634 CB HIS A 87 -8.411 4.534 4.642 1.00 1.00 C ATOM 635 CG HIS A 87 -8.795 3.392 5.543 1.00 1.00 C ATOM 636 ND1 HIS A 87 -8.306 2.115 5.667 1.00 1.00 N flip ATOM 637 CD2 HIS A 87 -9.817 3.497 6.473 1.00 1.00 C flip ATOM 638 CE1 HIS A 87 -9.013 1.436 6.655 1.00 1.00 C flip ATOM 639 NE2 HIS A 87 -9.911 2.314 7.109 1.00 1.00 N flip ATOM 0 H HIS A 87 -5.619 5.234 3.397 1.00 1.00 H new ATOM 0 HA HIS A 87 -7.404 2.964 3.559 1.00 1.00 H new ATOM 0 HB2 HIS A 87 -7.987 5.347 5.231 1.00 1.00 H new ATOM 0 HB3 HIS A 87 -9.296 4.929 4.143 1.00 1.00 H new ATOM 0 HD1 HIS A 87 -7.541 1.723 5.118 1.00 1.00 H new ATOM 0 HD2 HIS A 87 -10.427 4.369 6.655 1.00 1.00 H new ATOM 0 HE1 HIS A 87 -8.867 0.418 6.984 1.00 1.00 H new ATOM 640 N ARG A 88 -6.811 4.955 1.412 1.00 1.00 N ATOM 641 CA ARG A 88 -7.145 5.517 0.071 1.00 1.00 C ATOM 642 C ARG A 88 -6.722 4.526 -1.016 1.00 1.00 C ATOM 643 O ARG A 88 -6.432 3.378 -0.742 1.00 1.00 O ATOM 644 CB ARG A 88 -6.418 6.851 -0.130 1.00 1.00 C ATOM 645 CG ARG A 88 -4.927 6.673 0.158 1.00 1.00 C ATOM 646 CD ARG A 88 -4.124 7.704 -0.640 1.00 1.00 C ATOM 647 NE ARG A 88 -4.622 7.748 -2.044 1.00 1.00 N ATOM 648 CZ ARG A 88 -5.025 8.877 -2.559 1.00 1.00 C ATOM 649 NH1 ARG A 88 -4.161 9.817 -2.827 1.00 1.00 N ATOM 650 NH2 ARG A 88 -6.292 9.066 -2.806 1.00 1.00 N ATOM 0 H ARG A 88 -5.815 4.854 1.608 1.00 1.00 H new ATOM 0 HA ARG A 88 -8.220 5.687 0.008 1.00 1.00 H new ATOM 0 HB2 ARG A 88 -6.561 7.204 -1.151 1.00 1.00 H new ATOM 0 HB3 ARG A 88 -6.838 7.609 0.531 1.00 1.00 H new ATOM 0 HG2 ARG A 88 -4.735 6.794 1.224 1.00 1.00 H new ATOM 0 HG3 ARG A 88 -4.612 5.665 -0.111 1.00 1.00 H new ATOM 0 HD2 ARG A 88 -4.217 8.688 -0.180 1.00 1.00 H new ATOM 0 HD3 ARG A 88 -3.065 7.445 -0.627 1.00 1.00 H new ATOM 0 HE ARG A 88 -4.648 6.895 -2.603 1.00 1.00 H new ATOM 0 HH11 ARG A 88 -3.170 9.669 -2.634 1.00 1.00 H new ATOM 0 HH12 ARG A 88 -4.476 10.700 -3.230 1.00 1.00 H new ATOM 0 HH21 ARG A 88 -6.968 8.331 -2.596 1.00 1.00 H new ATOM 0 HH22 ARG A 88 -6.607 9.949 -3.209 1.00 1.00 H new ATOM 651 N SER A 89 -6.694 4.954 -2.249 1.00 1.00 N ATOM 652 CA SER A 89 -6.300 4.027 -3.349 1.00 1.00 C ATOM 653 C SER A 89 -4.786 4.085 -3.564 1.00 1.00 C ATOM 654 O SER A 89 -4.263 3.521 -4.505 1.00 1.00 O ATOM 655 CB SER A 89 -7.011 4.436 -4.639 1.00 1.00 C ATOM 656 OG SER A 89 -6.517 3.651 -5.716 1.00 1.00 O ATOM 0 H SER A 89 -6.926 5.903 -2.542 1.00 1.00 H new ATOM 0 HA SER A 89 -6.585 3.010 -3.078 1.00 1.00 H new ATOM 0 HB2 SER A 89 -8.087 4.296 -4.535 1.00 1.00 H new ATOM 0 HB3 SER A 89 -6.845 5.495 -4.839 1.00 1.00 H new ATOM 0 HG SER A 89 -5.537 3.639 -5.690 1.00 1.00 H new ATOM 657 N ASP A 90 -4.076 4.756 -2.701 1.00 1.00 N ATOM 658 CA ASP A 90 -2.598 4.838 -2.863 1.00 1.00 C ATOM 659 C ASP A 90 -1.918 4.360 -1.579 1.00 1.00 C ATOM 660 O ASP A 90 -0.714 4.209 -1.522 1.00 1.00 O ATOM 661 CB ASP A 90 -2.188 6.282 -3.156 1.00 1.00 C ATOM 662 CG ASP A 90 -2.989 6.813 -4.347 1.00 1.00 C ATOM 663 OD1 ASP A 90 -4.108 6.364 -4.533 1.00 1.00 O ATOM 664 OD2 ASP A 90 -2.469 7.660 -5.055 1.00 1.00 O ATOM 0 H ASP A 90 -4.454 5.250 -1.893 1.00 1.00 H new ATOM 0 HA ASP A 90 -2.290 4.204 -3.695 1.00 1.00 H new ATOM 0 HB2 ASP A 90 -2.364 6.905 -2.280 1.00 1.00 H new ATOM 0 HB3 ASP A 90 -1.121 6.331 -3.372 1.00 1.00 H new ATOM 665 N ALA A 91 -2.681 4.103 -0.551 1.00 1.00 N ATOM 666 CA ALA A 91 -2.078 3.615 0.719 1.00 1.00 C ATOM 667 C ALA A 91 -1.585 2.184 0.501 1.00 1.00 C ATOM 668 O ALA A 91 -0.839 1.639 1.287 1.00 1.00 O ATOM 669 CB ALA A 91 -3.136 3.633 1.825 1.00 1.00 C ATOM 0 H ALA A 91 -3.695 4.210 -0.537 1.00 1.00 H new ATOM 0 HA ALA A 91 -1.246 4.255 1.013 1.00 1.00 H new ATOM 0 HB1 ALA A 91 -2.695 3.276 2.756 1.00 1.00 H new ATOM 0 HB2 ALA A 91 -3.500 4.651 1.963 1.00 1.00 H new ATOM 0 HB3 ALA A 91 -3.967 2.985 1.545 1.00 1.00 H new ATOM 670 N LEU A 92 -2.016 1.579 -0.570 1.00 1.00 N ATOM 671 CA LEU A 92 -1.603 0.177 -0.881 1.00 1.00 C ATOM 672 C LEU A 92 -0.105 0.123 -1.207 1.00 1.00 C ATOM 673 O LEU A 92 0.679 -0.444 -0.473 1.00 1.00 O ATOM 674 CB LEU A 92 -2.395 -0.338 -2.090 1.00 1.00 C ATOM 675 CG LEU A 92 -2.744 0.824 -3.030 1.00 1.00 C ATOM 676 CD1 LEU A 92 -2.635 0.367 -4.483 1.00 1.00 C ATOM 677 CD2 LEU A 92 -4.173 1.298 -2.748 1.00 1.00 C ATOM 0 H LEU A 92 -2.645 2.000 -1.254 1.00 1.00 H new ATOM 0 HA LEU A 92 -1.805 -0.447 -0.010 1.00 1.00 H new ATOM 0 HB2 LEU A 92 -1.810 -1.085 -2.626 1.00 1.00 H new ATOM 0 HB3 LEU A 92 -3.308 -0.830 -1.753 1.00 1.00 H new ATOM 0 HG LEU A 92 -2.047 1.645 -2.860 1.00 1.00 H new ATOM 0 HD11 LEU A 92 -2.884 1.196 -5.145 1.00 1.00 H new ATOM 0 HD12 LEU A 92 -1.617 0.035 -4.685 1.00 1.00 H new ATOM 0 HD13 LEU A 92 -3.327 -0.457 -4.658 1.00 1.00 H new ATOM 0 HD21 LEU A 92 -4.421 2.123 -3.415 1.00 1.00 H new ATOM 0 HD22 LEU A 92 -4.869 0.475 -2.914 1.00 1.00 H new ATOM 0 HD23 LEU A 92 -4.248 1.633 -1.713 1.00 1.00 H new ATOM 678 N GLN A 93 0.294 0.691 -2.313 1.00 1.00 N ATOM 679 CA GLN A 93 1.733 0.662 -2.699 1.00 1.00 C ATOM 680 C GLN A 93 2.569 1.381 -1.639 1.00 1.00 C ATOM 681 O GLN A 93 3.780 1.289 -1.625 1.00 1.00 O ATOM 682 CB GLN A 93 1.906 1.372 -4.043 1.00 1.00 C ATOM 683 CG GLN A 93 2.812 0.537 -4.950 1.00 1.00 C ATOM 684 CD GLN A 93 4.277 0.866 -4.653 1.00 1.00 C ATOM 685 OE1 GLN A 93 4.923 0.179 -3.888 1.00 1.00 O ATOM 686 NE2 GLN A 93 4.832 1.896 -5.232 1.00 1.00 N ATOM 0 H GLN A 93 -0.319 1.176 -2.969 1.00 1.00 H new ATOM 0 HA GLN A 93 2.065 -0.373 -2.779 1.00 1.00 H new ATOM 0 HB2 GLN A 93 0.935 1.518 -4.516 1.00 1.00 H new ATOM 0 HB3 GLN A 93 2.338 2.361 -3.891 1.00 1.00 H new ATOM 0 HG2 GLN A 93 2.627 -0.525 -4.788 1.00 1.00 H new ATOM 0 HG3 GLN A 93 2.587 0.744 -5.996 1.00 1.00 H new ATOM 0 HE21 GLN A 93 4.290 2.473 -5.875 1.00 1.00 H new ATOM 0 HE22 GLN A 93 5.808 2.123 -5.042 1.00 1.00 H new ATOM 687 N LEU A 94 1.936 2.102 -0.758 1.00 1.00 N ATOM 688 CA LEU A 94 2.701 2.833 0.290 1.00 1.00 C ATOM 689 C LEU A 94 2.642 2.058 1.607 1.00 1.00 C ATOM 690 O LEU A 94 3.426 2.287 2.507 1.00 1.00 O ATOM 691 CB LEU A 94 2.092 4.223 0.483 1.00 1.00 C ATOM 692 CG LEU A 94 2.516 5.130 -0.673 1.00 1.00 C ATOM 693 CD1 LEU A 94 4.008 5.446 -0.552 1.00 1.00 C ATOM 694 CD2 LEU A 94 2.256 4.421 -2.004 1.00 1.00 C ATOM 0 H LEU A 94 0.923 2.217 -0.718 1.00 1.00 H new ATOM 0 HA LEU A 94 3.741 2.930 -0.021 1.00 1.00 H new ATOM 0 HB2 LEU A 94 1.005 4.153 0.525 1.00 1.00 H new ATOM 0 HB3 LEU A 94 2.421 4.647 1.432 1.00 1.00 H new ATOM 0 HG LEU A 94 1.941 6.055 -0.635 1.00 1.00 H new ATOM 0 HD11 LEU A 94 4.311 6.092 -1.376 1.00 1.00 H new ATOM 0 HD12 LEU A 94 4.197 5.952 0.395 1.00 1.00 H new ATOM 0 HD13 LEU A 94 4.580 4.519 -0.589 1.00 1.00 H new ATOM 0 HD21 LEU A 94 2.559 5.069 -2.827 1.00 1.00 H new ATOM 0 HD22 LEU A 94 2.830 3.495 -2.041 1.00 1.00 H new ATOM 0 HD23 LEU A 94 1.194 4.193 -2.094 1.00 1.00 H new ATOM 695 N GLY A 95 1.722 1.140 1.724 1.00 1.00 N ATOM 696 CA GLY A 95 1.612 0.345 2.982 1.00 1.00 C ATOM 697 C GLY A 95 1.800 1.263 4.193 1.00 1.00 C ATOM 698 O GLY A 95 2.855 1.305 4.792 1.00 1.00 O ATOM 0 H GLY A 95 1.040 0.905 1.002 1.00 1.00 H new ATOM 0 HA2 GLY A 95 0.638 -0.142 3.031 1.00 1.00 H new ATOM 0 HA3 GLY A 95 2.364 -0.444 2.992 1.00 1.00 H new ATOM 699 N LEU A 96 0.784 1.996 4.558 1.00 1.00 N ATOM 700 CA LEU A 96 0.906 2.908 5.731 1.00 1.00 C ATOM 701 C LEU A 96 0.382 2.198 6.981 1.00 1.00 C ATOM 702 O LEU A 96 1.126 1.896 7.893 1.00 1.00 O ATOM 703 CB LEU A 96 0.087 4.177 5.477 1.00 1.00 C ATOM 704 CG LEU A 96 0.433 4.738 4.096 1.00 1.00 C ATOM 705 CD1 LEU A 96 -0.840 4.845 3.259 1.00 1.00 C ATOM 706 CD2 LEU A 96 1.059 6.128 4.244 1.00 1.00 C ATOM 0 H LEU A 96 -0.125 2.003 4.095 1.00 1.00 H new ATOM 0 HA LEU A 96 1.952 3.178 5.879 1.00 1.00 H new ATOM 0 HB2 LEU A 96 -0.978 3.953 5.534 1.00 1.00 H new ATOM 0 HB3 LEU A 96 0.298 4.919 6.247 1.00 1.00 H new ATOM 0 HG LEU A 96 1.142 4.072 3.604 1.00 1.00 H new ATOM 0 HD11 LEU A 96 -0.596 5.245 2.275 1.00 1.00 H new ATOM 0 HD12 LEU A 96 -1.287 3.857 3.149 1.00 1.00 H new ATOM 0 HD13 LEU A 96 -1.547 5.510 3.755 1.00 1.00 H new ATOM 0 HD21 LEU A 96 1.304 6.524 3.258 1.00 1.00 H new ATOM 0 HD22 LEU A 96 0.352 6.795 4.737 1.00 1.00 H new ATOM 0 HD23 LEU A 96 1.968 6.056 4.842 1.00 1.00 H new ATOM 707 N GLY A 97 -0.893 1.921 7.029 1.00 1.00 N ATOM 708 CA GLY A 97 -1.460 1.224 8.219 1.00 1.00 C ATOM 709 C GLY A 97 -1.770 2.242 9.318 1.00 1.00 C ATOM 710 O GLY A 97 -2.232 3.334 9.053 1.00 1.00 O ATOM 0 H GLY A 97 -1.566 2.147 6.296 1.00 1.00 H new ATOM 0 HA2 GLY A 97 -2.368 0.689 7.940 1.00 1.00 H new ATOM 0 HA3 GLY A 97 -0.753 0.481 8.588 1.00 1.00 H new ATOM 711 N LYS A 98 -1.523 1.891 10.551 1.00 1.00 N ATOM 712 CA LYS A 98 -1.807 2.836 11.668 1.00 1.00 C ATOM 713 C LYS A 98 -0.502 3.195 12.382 1.00 1.00 C ATOM 714 O LYS A 98 -0.124 2.572 13.355 1.00 1.00 O ATOM 715 CB LYS A 98 -2.765 2.177 12.663 1.00 1.00 C ATOM 716 CG LYS A 98 -3.118 3.173 13.770 1.00 1.00 C ATOM 717 CD LYS A 98 -2.810 2.552 15.134 1.00 1.00 C ATOM 718 CE LYS A 98 -4.099 2.003 15.748 1.00 1.00 C ATOM 719 NZ LYS A 98 -4.883 3.123 16.341 1.00 1.00 N ATOM 0 H LYS A 98 -1.137 0.990 10.833 1.00 1.00 H new ATOM 0 HA LYS A 98 -2.262 3.742 11.267 1.00 1.00 H new ATOM 0 HB2 LYS A 98 -3.670 1.851 12.151 1.00 1.00 H new ATOM 0 HB3 LYS A 98 -2.304 1.288 13.093 1.00 1.00 H new ATOM 0 HG2 LYS A 98 -2.548 4.093 13.641 1.00 1.00 H new ATOM 0 HG3 LYS A 98 -4.173 3.440 13.710 1.00 1.00 H new ATOM 0 HD2 LYS A 98 -2.078 1.752 15.024 1.00 1.00 H new ATOM 0 HD3 LYS A 98 -2.370 3.299 15.794 1.00 1.00 H new ATOM 0 HE2 LYS A 98 -4.690 1.495 14.986 1.00 1.00 H new ATOM 0 HE3 LYS A 98 -3.864 1.264 16.514 1.00 1.00 H new ATOM 0 HZ1 LYS A 98 -5.864 2.816 16.496 1.00 1.00 H new ATOM 0 HZ2 LYS A 98 -4.459 3.401 17.249 1.00 1.00 H new ATOM 0 HZ3 LYS A 98 -4.873 3.935 15.692 1.00 1.00 H new ATOM 720 N HIS A 99 0.188 4.197 11.911 1.00 1.00 N ATOM 721 CA HIS A 99 1.465 4.597 12.567 1.00 1.00 C ATOM 722 C HIS A 99 1.627 6.116 12.478 1.00 1.00 C ATOM 723 O HIS A 99 0.717 6.824 12.096 1.00 1.00 O ATOM 724 CB HIS A 99 2.639 3.916 11.862 1.00 1.00 C ATOM 725 CG HIS A 99 2.510 4.114 10.378 1.00 1.00 C ATOM 726 ND1 HIS A 99 3.535 4.643 9.611 1.00 1.00 N ATOM 727 CD2 HIS A 99 1.479 3.864 9.508 1.00 1.00 C ATOM 728 CE1 HIS A 99 3.102 4.695 8.338 1.00 1.00 C ATOM 729 NE2 HIS A 99 1.855 4.232 8.219 1.00 1.00 N ATOM 0 H HIS A 99 -0.077 4.756 11.100 1.00 1.00 H new ATOM 0 HA HIS A 99 1.447 4.293 13.613 1.00 1.00 H new ATOM 0 HB2 HIS A 99 3.582 4.333 12.215 1.00 1.00 H new ATOM 0 HB3 HIS A 99 2.653 2.852 12.099 1.00 1.00 H new ATOM 0 HD1 HIS A 99 4.451 4.939 9.949 1.00 1.00 H new ATOM 0 HD2 HIS A 99 0.522 3.446 9.781 1.00 1.00 H new ATOM 0 HE1 HIS A 99 3.691 5.066 7.513 1.00 1.00 H new ATOM 730 N ASN A 100 2.778 6.622 12.829 1.00 1.00 N ATOM 731 CA ASN A 100 2.991 8.096 12.764 1.00 1.00 C ATOM 732 C ASN A 100 4.364 8.394 12.156 1.00 1.00 C ATOM 733 O ASN A 100 5.205 9.015 12.774 1.00 1.00 O ATOM 734 CB ASN A 100 2.922 8.682 14.176 1.00 1.00 C ATOM 735 CG ASN A 100 3.795 7.850 15.118 1.00 1.00 C ATOM 736 OD1 ASN A 100 4.655 7.114 14.676 1.00 1.00 O ATOM 737 ND2 ASN A 100 3.609 7.936 16.407 1.00 1.00 N ATOM 0 H ASN A 100 3.578 6.080 13.157 1.00 1.00 H new ATOM 0 HA ASN A 100 2.217 8.545 12.142 1.00 1.00 H new ATOM 0 HB2 ASN A 100 3.262 9.718 14.168 1.00 1.00 H new ATOM 0 HB3 ASN A 100 1.891 8.687 14.529 1.00 1.00 H new ATOM 0 HD21 ASN A 100 4.186 7.385 17.043 1.00 1.00 H new ATOM 0 HD22 ASN A 100 2.887 8.554 16.778 1.00 1.00 H new ATOM 738 N TYR A 101 4.598 7.960 10.947 1.00 1.00 N ATOM 739 CA TYR A 101 5.915 8.225 10.300 1.00 1.00 C ATOM 740 C TYR A 101 5.752 9.336 9.260 1.00 1.00 C ATOM 741 O TYR A 101 4.761 10.039 9.243 1.00 1.00 O ATOM 742 CB TYR A 101 6.412 6.950 9.613 1.00 1.00 C ATOM 743 CG TYR A 101 7.425 6.261 10.496 1.00 1.00 C ATOM 744 CD1 TYR A 101 7.006 5.599 11.658 1.00 1.00 C ATOM 745 CD2 TYR A 101 8.783 6.281 10.152 1.00 1.00 C ATOM 746 CE1 TYR A 101 7.946 4.958 12.477 1.00 1.00 C ATOM 747 CE2 TYR A 101 9.723 5.640 10.970 1.00 1.00 C ATOM 748 CZ TYR A 101 9.304 4.979 12.133 1.00 1.00 C ATOM 749 OH TYR A 101 10.229 4.347 12.938 1.00 1.00 O ATOM 0 H TYR A 101 3.934 7.433 10.379 1.00 1.00 H new ATOM 0 HA TYR A 101 6.638 8.534 11.055 1.00 1.00 H new ATOM 0 HB2 TYR A 101 5.574 6.282 9.414 1.00 1.00 H new ATOM 0 HB3 TYR A 101 6.861 7.195 8.650 1.00 1.00 H new ATOM 0 HD1 TYR A 101 5.959 5.583 11.922 1.00 1.00 H new ATOM 0 HD2 TYR A 101 9.105 6.791 9.256 1.00 1.00 H new ATOM 0 HE1 TYR A 101 7.623 4.448 13.373 1.00 1.00 H new ATOM 0 HE2 TYR A 101 10.770 5.655 10.705 1.00 1.00 H new ATOM 0 HH TYR A 101 11.125 4.456 12.555 1.00 1.00 H new ATOM 750 N CYS A 102 6.713 9.504 8.392 1.00 1.00 N ATOM 751 CA CYS A 102 6.602 10.572 7.359 1.00 1.00 C ATOM 752 C CYS A 102 6.249 9.946 6.009 1.00 1.00 C ATOM 753 O CYS A 102 5.138 10.065 5.530 1.00 1.00 O ATOM 754 CB CYS A 102 7.934 11.315 7.244 1.00 1.00 C ATOM 755 SG CYS A 102 7.634 12.982 6.611 1.00 1.00 S ATOM 0 H CYS A 102 7.568 8.949 8.354 1.00 1.00 H new ATOM 0 HA CYS A 102 5.819 11.273 7.649 1.00 1.00 H new ATOM 0 HB2 CYS A 102 8.421 11.365 8.218 1.00 1.00 H new ATOM 0 HB3 CYS A 102 8.608 10.776 6.578 1.00 1.00 H new ATOM 756 N ARG A 103 7.183 9.277 5.391 1.00 1.00 N ATOM 757 CA ARG A 103 6.899 8.642 4.075 1.00 1.00 C ATOM 758 C ARG A 103 6.608 9.722 3.028 1.00 1.00 C ATOM 759 O ARG A 103 6.003 10.736 3.315 1.00 1.00 O ATOM 760 CB ARG A 103 5.682 7.722 4.206 1.00 1.00 C ATOM 761 CG ARG A 103 6.145 6.265 4.255 1.00 1.00 C ATOM 762 CD ARG A 103 5.905 5.699 5.656 1.00 1.00 C ATOM 763 NE ARG A 103 5.493 4.271 5.552 1.00 1.00 N ATOM 764 CZ ARG A 103 6.075 3.367 6.292 1.00 1.00 C ATOM 765 NH1 ARG A 103 7.377 3.279 6.310 1.00 1.00 N ATOM 766 NH2 ARG A 103 5.356 2.553 7.015 1.00 1.00 N ATOM 0 H ARG A 103 8.131 9.143 5.742 1.00 1.00 H new ATOM 0 HA ARG A 103 7.767 8.062 3.762 1.00 1.00 H new ATOM 0 HB2 ARG A 103 5.123 7.967 5.109 1.00 1.00 H new ATOM 0 HB3 ARG A 103 5.007 7.872 3.363 1.00 1.00 H new ATOM 0 HG2 ARG A 103 5.603 5.675 3.515 1.00 1.00 H new ATOM 0 HG3 ARG A 103 7.203 6.200 4.002 1.00 1.00 H new ATOM 0 HD2 ARG A 103 6.812 5.784 6.254 1.00 1.00 H new ATOM 0 HD3 ARG A 103 5.132 6.275 6.165 1.00 1.00 H new ATOM 0 HE ARG A 103 4.755 4.000 4.902 1.00 1.00 H new ATOM 0 HH11 ARG A 103 7.939 3.916 5.746 1.00 1.00 H new ATOM 0 HH12 ARG A 103 7.832 2.573 6.888 1.00 1.00 H new ATOM 0 HH21 ARG A 103 4.338 2.623 7.002 1.00 1.00 H new ATOM 0 HH22 ARG A 103 5.811 1.847 7.593 1.00 1.00 H new ATOM 767 N ASN A 104 7.029 9.502 1.813 1.00 1.00 N ATOM 768 CA ASN A 104 6.777 10.497 0.730 1.00 1.00 C ATOM 769 C ASN A 104 5.985 9.807 -0.389 1.00 1.00 C ATOM 770 O ASN A 104 6.509 9.567 -1.458 1.00 1.00 O ATOM 771 CB ASN A 104 8.116 10.993 0.180 1.00 1.00 C ATOM 772 CG ASN A 104 8.145 12.521 0.205 1.00 1.00 C ATOM 773 OD1 ASN A 104 7.445 13.140 0.979 1.00 1.00 O ATOM 774 ND2 ASN A 104 8.934 13.158 -0.616 1.00 1.00 N ATOM 0 H ASN A 104 7.541 8.669 1.521 1.00 1.00 H new ATOM 0 HA ASN A 104 6.212 11.345 1.118 1.00 1.00 H new ATOM 0 HB2 ASN A 104 8.936 10.594 0.777 1.00 1.00 H new ATOM 0 HB3 ASN A 104 8.258 10.633 -0.839 1.00 1.00 H new ATOM 0 HD21 ASN A 104 8.963 14.178 -0.608 1.00 1.00 H new ATOM 0 HD22 ASN A 104 9.522 12.636 -1.266 1.00 1.00 H new ATOM 775 N PRO A 105 4.748 9.486 -0.093 1.00 1.00 N ATOM 776 CA PRO A 105 3.868 8.797 -1.035 1.00 1.00 C ATOM 777 C PRO A 105 3.346 9.730 -2.142 1.00 1.00 C ATOM 778 O PRO A 105 2.274 9.514 -2.673 1.00 1.00 O ATOM 779 CB PRO A 105 2.708 8.322 -0.170 1.00 1.00 C ATOM 780 CG PRO A 105 2.668 9.368 0.985 1.00 1.00 C ATOM 781 CD PRO A 105 4.146 9.784 1.218 1.00 1.00 C ATOM 0 HA PRO A 105 4.392 7.993 -1.553 1.00 1.00 H new ATOM 0 HB2 PRO A 105 1.772 8.303 -0.728 1.00 1.00 H new ATOM 0 HB3 PRO A 105 2.875 7.313 0.207 1.00 1.00 H new ATOM 0 HG2 PRO A 105 2.056 10.228 0.714 1.00 1.00 H new ATOM 0 HG3 PRO A 105 2.234 8.939 1.888 1.00 1.00 H new ATOM 0 HD2 PRO A 105 4.238 10.838 1.481 1.00 1.00 H new ATOM 0 HD3 PRO A 105 4.611 9.213 2.022 1.00 1.00 H new ATOM 782 N ASP A 106 4.073 10.751 -2.508 1.00 1.00 N ATOM 783 CA ASP A 106 3.578 11.651 -3.585 1.00 1.00 C ATOM 784 C ASP A 106 4.766 12.153 -4.414 1.00 1.00 C ATOM 785 O ASP A 106 5.702 11.424 -4.674 1.00 1.00 O ATOM 786 CB ASP A 106 2.827 12.832 -2.959 1.00 1.00 C ATOM 787 CG ASP A 106 3.780 13.659 -2.092 1.00 1.00 C ATOM 788 OD1 ASP A 106 4.977 13.575 -2.310 1.00 1.00 O ATOM 789 OD2 ASP A 106 3.295 14.363 -1.221 1.00 1.00 O ATOM 0 H ASP A 106 4.980 10.998 -2.111 1.00 1.00 H new ATOM 0 HA ASP A 106 2.896 11.107 -4.238 1.00 1.00 H new ATOM 0 HB2 ASP A 106 2.399 13.458 -3.742 1.00 1.00 H new ATOM 0 HB3 ASP A 106 1.997 12.466 -2.354 1.00 1.00 H new ATOM 790 N ASN A 107 4.740 13.390 -4.827 1.00 1.00 N ATOM 791 CA ASN A 107 5.869 13.931 -5.633 1.00 1.00 C ATOM 792 C ASN A 107 6.566 15.036 -4.839 1.00 1.00 C ATOM 793 O ASN A 107 6.735 16.143 -5.311 1.00 1.00 O ATOM 794 CB ASN A 107 5.330 14.506 -6.945 1.00 1.00 C ATOM 795 CG ASN A 107 5.627 13.534 -8.089 1.00 1.00 C ATOM 796 OD1 ASN A 107 6.571 13.721 -8.831 1.00 1.00 O ATOM 797 ND2 ASN A 107 4.855 12.496 -8.265 1.00 1.00 N ATOM 0 H ASN A 107 3.985 14.050 -4.641 1.00 1.00 H new ATOM 0 HA ASN A 107 6.579 13.134 -5.854 1.00 1.00 H new ATOM 0 HB2 ASN A 107 4.256 14.674 -6.866 1.00 1.00 H new ATOM 0 HB3 ASN A 107 5.790 15.473 -7.147 1.00 1.00 H new ATOM 0 HD21 ASN A 107 5.044 11.843 -9.025 1.00 1.00 H new ATOM 0 HD22 ASN A 107 4.062 12.338 -7.643 1.00 1.00 H new ATOM 798 N ARG A 108 6.968 14.744 -3.634 1.00 1.00 N ATOM 799 CA ARG A 108 7.649 15.774 -2.802 1.00 1.00 C ATOM 800 C ARG A 108 9.143 15.455 -2.718 1.00 1.00 C ATOM 801 O ARG A 108 9.541 14.309 -2.661 1.00 1.00 O ATOM 802 CB ARG A 108 7.042 15.770 -1.397 1.00 1.00 C ATOM 803 CG ARG A 108 7.655 16.895 -0.571 1.00 1.00 C ATOM 804 CD ARG A 108 6.659 18.042 -0.464 1.00 1.00 C ATOM 805 NE ARG A 108 5.382 17.551 0.126 1.00 1.00 N ATOM 806 CZ ARG A 108 4.585 18.385 0.736 1.00 1.00 C ATOM 807 NH1 ARG A 108 5.004 19.040 1.784 1.00 1.00 N ATOM 808 NH2 ARG A 108 3.369 18.564 0.298 1.00 1.00 N ATOM 0 H ARG A 108 6.854 13.834 -3.188 1.00 1.00 H new ATOM 0 HA ARG A 108 7.516 16.757 -3.253 1.00 1.00 H new ATOM 0 HB2 ARG A 108 5.961 15.897 -1.457 1.00 1.00 H new ATOM 0 HB3 ARG A 108 7.224 14.810 -0.914 1.00 1.00 H new ATOM 0 HG2 ARG A 108 7.916 16.531 0.423 1.00 1.00 H new ATOM 0 HG3 ARG A 108 8.578 17.242 -1.036 1.00 1.00 H new ATOM 0 HD2 ARG A 108 7.073 18.838 0.155 1.00 1.00 H new ATOM 0 HD3 ARG A 108 6.474 18.468 -1.450 1.00 1.00 H new ATOM 0 HE ARG A 108 5.131 16.565 0.053 1.00 1.00 H new ATOM 0 HH11 ARG A 108 5.955 18.900 2.126 1.00 1.00 H new ATOM 0 HH12 ARG A 108 4.381 19.692 2.261 1.00 1.00 H new ATOM 0 HH21 ARG A 108 3.041 18.052 -0.521 1.00 1.00 H new ATOM 0 HH22 ARG A 108 2.746 19.216 0.775 1.00 1.00 H new ATOM 809 N ARG A 109 9.975 16.460 -2.708 1.00 1.00 N ATOM 810 CA ARG A 109 11.440 16.210 -2.625 1.00 1.00 C ATOM 811 C ARG A 109 11.823 15.904 -1.175 1.00 1.00 C ATOM 812 O ARG A 109 12.974 15.676 -0.861 1.00 1.00 O ATOM 813 CB ARG A 109 12.199 17.450 -3.103 1.00 1.00 C ATOM 814 CG ARG A 109 13.491 17.020 -3.800 1.00 1.00 C ATOM 815 CD ARG A 109 14.171 18.244 -4.414 1.00 1.00 C ATOM 816 NE ARG A 109 13.892 18.286 -5.877 1.00 1.00 N ATOM 817 CZ ARG A 109 14.874 18.189 -6.731 1.00 1.00 C ATOM 818 NH1 ARG A 109 15.322 17.014 -7.079 1.00 1.00 N ATOM 819 NH2 ARG A 109 15.408 19.267 -7.237 1.00 1.00 N ATOM 0 H ARG A 109 9.703 17.442 -2.754 1.00 1.00 H new ATOM 0 HA ARG A 109 11.700 15.361 -3.257 1.00 1.00 H new ATOM 0 HB2 ARG A 109 11.578 18.028 -3.788 1.00 1.00 H new ATOM 0 HB3 ARG A 109 12.428 18.098 -2.257 1.00 1.00 H new ATOM 0 HG2 ARG A 109 14.160 16.539 -3.086 1.00 1.00 H new ATOM 0 HG3 ARG A 109 13.272 16.286 -4.575 1.00 1.00 H new ATOM 0 HD2 ARG A 109 13.806 19.154 -3.937 1.00 1.00 H new ATOM 0 HD3 ARG A 109 15.246 18.202 -4.239 1.00 1.00 H new ATOM 0 HE ARG A 109 12.934 18.391 -6.211 1.00 1.00 H new ATOM 0 HH11 ARG A 109 14.905 16.171 -6.684 1.00 1.00 H new ATOM 0 HH12 ARG A 109 16.090 16.938 -7.746 1.00 1.00 H new ATOM 0 HH21 ARG A 109 15.058 20.186 -6.965 1.00 1.00 H new ATOM 0 HH22 ARG A 109 16.176 19.191 -7.904 1.00 1.00 H new ATOM 820 N ARG A 110 10.865 15.898 -0.287 1.00 1.00 N ATOM 821 CA ARG A 110 11.173 15.607 1.142 1.00 1.00 C ATOM 822 C ARG A 110 10.018 14.803 1.748 1.00 1.00 C ATOM 823 O ARG A 110 8.887 14.939 1.331 1.00 1.00 O ATOM 824 CB ARG A 110 11.341 16.921 1.914 1.00 1.00 C ATOM 825 CG ARG A 110 11.805 18.028 0.963 1.00 1.00 C ATOM 826 CD ARG A 110 12.421 19.173 1.770 1.00 1.00 C ATOM 827 NE ARG A 110 13.837 19.370 1.351 1.00 1.00 N ATOM 828 CZ ARG A 110 14.117 20.131 0.328 1.00 1.00 C ATOM 829 NH1 ARG A 110 14.041 21.429 0.439 1.00 1.00 N ATOM 830 NH2 ARG A 110 14.472 19.592 -0.807 1.00 1.00 N ATOM 0 H ARG A 110 9.883 16.082 -0.490 1.00 1.00 H new ATOM 0 HA ARG A 110 12.098 15.034 1.207 1.00 1.00 H new ATOM 0 HB2 ARG A 110 10.397 17.202 2.380 1.00 1.00 H new ATOM 0 HB3 ARG A 110 12.067 16.791 2.717 1.00 1.00 H new ATOM 0 HG2 ARG A 110 12.536 17.633 0.257 1.00 1.00 H new ATOM 0 HG3 ARG A 110 10.962 18.395 0.377 1.00 1.00 H new ATOM 0 HD2 ARG A 110 11.853 20.090 1.612 1.00 1.00 H new ATOM 0 HD3 ARG A 110 12.374 18.948 2.835 1.00 1.00 H new ATOM 0 HE ARG A 110 14.589 18.910 1.864 1.00 1.00 H new ATOM 0 HH11 ARG A 110 13.763 21.850 1.326 1.00 1.00 H new ATOM 0 HH12 ARG A 110 14.260 22.023 -0.361 1.00 1.00 H new ATOM 0 HH21 ARG A 110 14.530 18.577 -0.894 1.00 1.00 H new ATOM 0 HH22 ARG A 110 14.691 20.186 -1.607 1.00 1.00 H new ATOM 831 N PRO A 111 10.338 13.984 2.717 1.00 1.00 N ATOM 832 CA PRO A 111 9.343 13.156 3.382 1.00 1.00 C ATOM 833 C PRO A 111 8.438 14.023 4.265 1.00 1.00 C ATOM 834 O PRO A 111 8.881 14.625 5.223 1.00 1.00 O ATOM 835 CB PRO A 111 10.160 12.187 4.231 1.00 1.00 C ATOM 836 CG PRO A 111 11.499 12.952 4.473 1.00 1.00 C ATOM 837 CD PRO A 111 11.716 13.834 3.209 1.00 1.00 C ATOM 0 HA PRO A 111 8.690 12.637 2.680 1.00 1.00 H new ATOM 0 HB2 PRO A 111 9.657 11.953 5.169 1.00 1.00 H new ATOM 0 HB3 PRO A 111 10.326 11.242 3.714 1.00 1.00 H new ATOM 0 HG2 PRO A 111 11.443 13.565 5.373 1.00 1.00 H new ATOM 0 HG3 PRO A 111 12.327 12.257 4.612 1.00 1.00 H new ATOM 0 HD2 PRO A 111 12.172 14.794 3.452 1.00 1.00 H new ATOM 0 HD3 PRO A 111 12.363 13.350 2.477 1.00 1.00 H new ATOM 838 N TRP A 112 7.174 14.092 3.948 1.00 1.00 N ATOM 839 CA TRP A 112 6.241 14.919 4.766 1.00 1.00 C ATOM 840 C TRP A 112 5.347 14.003 5.603 1.00 1.00 C ATOM 841 O TRP A 112 5.443 12.794 5.535 1.00 1.00 O ATOM 842 CB TRP A 112 5.370 15.767 3.841 1.00 1.00 C ATOM 843 CG TRP A 112 4.944 14.935 2.681 1.00 1.00 C ATOM 844 CD1 TRP A 112 5.606 14.851 1.507 1.00 1.00 C ATOM 845 CD2 TRP A 112 3.783 14.064 2.564 1.00 1.00 C ATOM 846 NE1 TRP A 112 4.925 13.982 0.673 1.00 1.00 N ATOM 847 CE2 TRP A 112 3.793 13.472 1.280 1.00 1.00 C ATOM 848 CE3 TRP A 112 2.732 13.736 3.441 1.00 1.00 C ATOM 849 CZ2 TRP A 112 2.794 12.582 0.879 1.00 1.00 C ATOM 850 CZ3 TRP A 112 1.725 12.842 3.042 1.00 1.00 C ATOM 851 CH2 TRP A 112 1.756 12.266 1.764 1.00 1.00 C ATOM 0 H TRP A 112 6.746 13.611 3.157 1.00 1.00 H new ATOM 0 HA TRP A 112 6.816 15.569 5.425 1.00 1.00 H new ATOM 0 HB2 TRP A 112 4.498 16.137 4.380 1.00 1.00 H new ATOM 0 HB3 TRP A 112 5.925 16.639 3.496 1.00 1.00 H new ATOM 0 HD1 TRP A 112 6.517 15.376 1.260 1.00 1.00 H new ATOM 0 HE1 TRP A 112 5.222 13.747 -0.274 1.00 1.00 H new ATOM 0 HE3 TRP A 112 2.700 14.175 4.427 1.00 1.00 H new ATOM 0 HZ2 TRP A 112 2.822 12.141 -0.106 1.00 1.00 H new ATOM 0 HZ3 TRP A 112 0.923 12.597 3.723 1.00 1.00 H new ATOM 0 HH2 TRP A 112 0.979 11.579 1.462 1.00 1.00 H new ATOM 852 N CYS A 113 4.476 14.570 6.390 1.00 1.00 N ATOM 853 CA CYS A 113 3.573 13.733 7.230 1.00 1.00 C ATOM 854 C CYS A 113 2.286 14.509 7.518 1.00 1.00 C ATOM 855 O CYS A 113 2.310 15.698 7.763 1.00 1.00 O ATOM 856 CB CYS A 113 4.270 13.401 8.550 1.00 1.00 C ATOM 857 SG CYS A 113 4.046 14.773 9.709 1.00 1.00 S ATOM 0 H CYS A 113 4.350 15.577 6.488 1.00 1.00 H new ATOM 0 HA CYS A 113 3.334 12.810 6.701 1.00 1.00 H new ATOM 0 HB2 CYS A 113 3.858 12.484 8.971 1.00 1.00 H new ATOM 0 HB3 CYS A 113 5.332 13.224 8.379 1.00 1.00 H new ATOM 858 N TYR A 114 1.163 13.844 7.495 1.00 1.00 N ATOM 859 CA TYR A 114 -0.125 14.542 7.773 1.00 1.00 C ATOM 860 C TYR A 114 -0.148 15.000 9.234 1.00 1.00 C ATOM 861 O TYR A 114 -0.659 14.317 10.099 1.00 1.00 O ATOM 862 CB TYR A 114 -1.289 13.577 7.522 1.00 1.00 C ATOM 863 CG TYR A 114 -1.575 13.499 6.040 1.00 1.00 C ATOM 864 CD1 TYR A 114 -2.294 14.525 5.412 1.00 1.00 C ATOM 865 CD2 TYR A 114 -1.121 12.404 5.293 1.00 1.00 C ATOM 866 CE1 TYR A 114 -2.560 14.456 4.038 1.00 1.00 C ATOM 867 CE2 TYR A 114 -1.387 12.335 3.918 1.00 1.00 C ATOM 868 CZ TYR A 114 -2.106 13.361 3.291 1.00 1.00 C ATOM 869 OH TYR A 114 -2.367 13.294 1.938 1.00 1.00 O ATOM 0 H TYR A 114 1.082 12.847 7.296 1.00 1.00 H new ATOM 0 HA TYR A 114 -0.222 15.408 7.118 1.00 1.00 H new ATOM 0 HB2 TYR A 114 -1.043 12.587 7.907 1.00 1.00 H new ATOM 0 HB3 TYR A 114 -2.177 13.916 8.056 1.00 1.00 H new ATOM 0 HD1 TYR A 114 -2.643 15.369 5.987 1.00 1.00 H new ATOM 0 HD2 TYR A 114 -0.566 11.613 5.776 1.00 1.00 H new ATOM 0 HE1 TYR A 114 -3.115 15.247 3.555 1.00 1.00 H new ATOM 0 HE2 TYR A 114 -1.038 11.491 3.342 1.00 1.00 H new ATOM 0 HH TYR A 114 -3.262 13.651 1.759 1.00 1.00 H new ATOM 870 N VAL A 115 0.399 16.153 9.519 1.00 1.00 N ATOM 871 CA VAL A 115 0.396 16.644 10.925 1.00 1.00 C ATOM 872 C VAL A 115 -0.608 17.792 11.046 1.00 1.00 C ATOM 873 O VAL A 115 -0.792 18.570 10.131 1.00 1.00 O ATOM 874 CB VAL A 115 1.806 17.120 11.311 1.00 1.00 C ATOM 875 CG1 VAL A 115 2.454 17.837 10.127 1.00 1.00 C ATOM 876 CG2 VAL A 115 1.726 18.078 12.506 1.00 1.00 C ATOM 0 H VAL A 115 0.845 16.772 8.842 1.00 1.00 H new ATOM 0 HA VAL A 115 0.106 15.840 11.601 1.00 1.00 H new ATOM 0 HB VAL A 115 2.409 16.254 11.583 1.00 1.00 H new ATOM 0 HG11 VAL A 115 3.453 18.172 10.407 1.00 1.00 H new ATOM 0 HG12 VAL A 115 2.524 17.153 9.281 1.00 1.00 H new ATOM 0 HG13 VAL A 115 1.848 18.698 9.847 1.00 1.00 H new ATOM 0 HG21 VAL A 115 2.729 18.411 12.773 1.00 1.00 H new ATOM 0 HG22 VAL A 115 1.116 18.941 12.240 1.00 1.00 H new ATOM 0 HG23 VAL A 115 1.276 17.564 13.355 1.00 1.00 H new ATOM 877 N GLN A 116 -1.268 17.895 12.165 1.00 1.00 N ATOM 878 CA GLN A 116 -2.270 18.982 12.343 1.00 1.00 C ATOM 879 C GLN A 116 -1.583 20.343 12.232 1.00 1.00 C ATOM 880 O GLN A 116 -0.737 20.691 13.032 1.00 1.00 O ATOM 881 CB GLN A 116 -2.923 18.853 13.720 1.00 1.00 C ATOM 882 CG GLN A 116 -4.290 18.182 13.578 1.00 1.00 C ATOM 883 CD GLN A 116 -5.303 18.889 14.481 1.00 1.00 C ATOM 884 OE1 GLN A 116 -5.195 20.075 14.722 1.00 1.00 O ATOM 885 NE2 GLN A 116 -6.290 18.205 14.993 1.00 1.00 N ATOM 0 H GLN A 116 -1.157 17.272 12.965 1.00 1.00 H new ATOM 0 HA GLN A 116 -3.031 18.899 11.568 1.00 1.00 H new ATOM 0 HB2 GLN A 116 -2.286 18.267 14.382 1.00 1.00 H new ATOM 0 HB3 GLN A 116 -3.035 19.837 14.174 1.00 1.00 H new ATOM 0 HG2 GLN A 116 -4.621 18.223 12.540 1.00 1.00 H new ATOM 0 HG3 GLN A 116 -4.219 17.128 13.848 1.00 1.00 H new ATOM 0 HE21 GLN A 116 -6.380 17.209 14.790 1.00 1.00 H new ATOM 0 HE22 GLN A 116 -6.971 18.666 15.596 1.00 1.00 H new ATOM 886 N VAL A 117 -1.950 21.120 11.252 1.00 1.00 N ATOM 887 CA VAL A 117 -1.330 22.464 11.093 1.00 1.00 C ATOM 888 C VAL A 117 -2.366 23.527 11.439 1.00 1.00 C ATOM 889 O VAL A 117 -2.244 24.679 11.071 1.00 1.00 O ATOM 890 CB VAL A 117 -0.862 22.652 9.649 1.00 1.00 C ATOM 891 CG1 VAL A 117 -0.209 24.028 9.499 1.00 1.00 C ATOM 892 CG2 VAL A 117 0.156 21.565 9.300 1.00 1.00 C ATOM 0 H VAL A 117 -2.654 20.882 10.553 1.00 1.00 H new ATOM 0 HA VAL A 117 -0.470 22.554 11.757 1.00 1.00 H new ATOM 0 HB VAL A 117 -1.717 22.581 8.977 1.00 1.00 H new ATOM 0 HG11 VAL A 117 0.125 24.162 8.470 1.00 1.00 H new ATOM 0 HG12 VAL A 117 -0.933 24.803 9.750 1.00 1.00 H new ATOM 0 HG13 VAL A 117 0.647 24.100 10.170 1.00 1.00 H new ATOM 0 HG21 VAL A 117 0.491 21.697 8.271 1.00 1.00 H new ATOM 0 HG22 VAL A 117 1.011 21.638 9.972 1.00 1.00 H new ATOM 0 HG23 VAL A 117 -0.308 20.584 9.408 1.00 1.00 H new ATOM 893 N GLY A 118 -3.387 23.144 12.150 1.00 1.00 N ATOM 894 CA GLY A 118 -4.442 24.119 12.533 1.00 1.00 C ATOM 895 C GLY A 118 -5.742 23.788 11.807 1.00 1.00 C ATOM 896 O GLY A 118 -6.483 22.911 12.205 1.00 1.00 O ATOM 0 H GLY A 118 -3.537 22.192 12.484 1.00 1.00 H new ATOM 0 HA2 GLY A 118 -4.600 24.092 13.611 1.00 1.00 H new ATOM 0 HA3 GLY A 118 -4.123 25.131 12.283 1.00 1.00 H new ATOM 897 N LEU A 119 -6.028 24.485 10.748 1.00 1.00 N ATOM 898 CA LEU A 119 -7.283 24.213 9.998 1.00 1.00 C ATOM 899 C LEU A 119 -7.395 22.714 9.721 1.00 1.00 C ATOM 900 O LEU A 119 -8.352 22.069 10.101 1.00 1.00 O ATOM 901 CB LEU A 119 -7.262 24.969 8.668 1.00 1.00 C ATOM 902 CG LEU A 119 -6.644 26.351 8.874 1.00 1.00 C ATOM 903 CD1 LEU A 119 -5.238 26.374 8.269 1.00 1.00 C ATOM 904 CD2 LEU A 119 -7.517 27.402 8.188 1.00 1.00 C ATOM 0 H LEU A 119 -5.447 25.232 10.368 1.00 1.00 H new ATOM 0 HA LEU A 119 -8.136 24.543 10.592 1.00 1.00 H new ATOM 0 HB2 LEU A 119 -6.688 24.409 7.929 1.00 1.00 H new ATOM 0 HB3 LEU A 119 -8.275 25.067 8.278 1.00 1.00 H new ATOM 0 HG LEU A 119 -6.582 26.571 9.940 1.00 1.00 H new ATOM 0 HD11 LEU A 119 -4.795 27.359 8.415 1.00 1.00 H new ATOM 0 HD12 LEU A 119 -4.619 25.622 8.758 1.00 1.00 H new ATOM 0 HD13 LEU A 119 -5.297 26.157 7.202 1.00 1.00 H new ATOM 0 HD21 LEU A 119 -7.079 28.390 8.333 1.00 1.00 H new ATOM 0 HD22 LEU A 119 -7.578 27.185 7.122 1.00 1.00 H new ATOM 0 HD23 LEU A 119 -8.518 27.382 8.620 1.00 1.00 H new ATOM 905 N LYS A 120 -6.423 22.159 9.052 1.00 1.00 N ATOM 906 CA LYS A 120 -6.468 20.702 8.737 1.00 1.00 C ATOM 907 C LYS A 120 -5.046 20.130 8.705 1.00 1.00 C ATOM 908 O LYS A 120 -4.097 20.853 8.475 1.00 1.00 O ATOM 909 CB LYS A 120 -7.129 20.496 7.371 1.00 1.00 C ATOM 910 CG LYS A 120 -6.808 21.685 6.462 1.00 1.00 C ATOM 911 CD LYS A 120 -7.593 21.556 5.155 1.00 1.00 C ATOM 912 CE LYS A 120 -7.635 22.912 4.448 1.00 1.00 C ATOM 913 NZ LYS A 120 -6.453 23.041 3.548 1.00 1.00 N ATOM 0 H LYS A 120 -5.598 22.651 8.709 1.00 1.00 H new ATOM 0 HA LYS A 120 -7.045 20.188 9.506 1.00 1.00 H new ATOM 0 HB2 LYS A 120 -6.771 19.572 6.918 1.00 1.00 H new ATOM 0 HB3 LYS A 120 -8.208 20.396 7.489 1.00 1.00 H new ATOM 0 HG2 LYS A 120 -7.065 22.619 6.962 1.00 1.00 H new ATOM 0 HG3 LYS A 120 -5.739 21.719 6.254 1.00 1.00 H new ATOM 0 HD2 LYS A 120 -7.126 20.812 4.510 1.00 1.00 H new ATOM 0 HD3 LYS A 120 -8.606 21.209 5.360 1.00 1.00 H new ATOM 0 HE2 LYS A 120 -8.556 23.005 3.872 1.00 1.00 H new ATOM 0 HE3 LYS A 120 -7.636 23.717 5.183 1.00 1.00 H new ATOM 0 HZ1 LYS A 120 -6.069 24.005 3.615 1.00 1.00 H new ATOM 0 HZ2 LYS A 120 -5.723 22.357 3.833 1.00 1.00 H new ATOM 0 HZ3 LYS A 120 -6.741 22.850 2.567 1.00 1.00 H new ATOM 914 N PRO A 121 -4.943 18.842 8.922 1.00 1.00 N ATOM 915 CA PRO A 121 -3.658 18.157 8.904 1.00 1.00 C ATOM 916 C PRO A 121 -2.937 18.422 7.581 1.00 1.00 C ATOM 917 O PRO A 121 -3.243 17.824 6.569 1.00 1.00 O ATOM 918 CB PRO A 121 -4.008 16.677 9.018 1.00 1.00 C ATOM 919 CG PRO A 121 -5.411 16.686 9.702 1.00 1.00 C ATOM 920 CD PRO A 121 -6.105 17.987 9.209 1.00 1.00 C ATOM 0 HA PRO A 121 -2.999 18.493 9.704 1.00 1.00 H new ATOM 0 HB2 PRO A 121 -4.041 16.196 8.040 1.00 1.00 H new ATOM 0 HB3 PRO A 121 -3.274 16.136 9.615 1.00 1.00 H new ATOM 0 HG2 PRO A 121 -5.988 15.804 9.425 1.00 1.00 H new ATOM 0 HG3 PRO A 121 -5.318 16.678 10.788 1.00 1.00 H new ATOM 0 HD2 PRO A 121 -6.718 17.816 8.324 1.00 1.00 H new ATOM 0 HD3 PRO A 121 -6.756 18.419 9.969 1.00 1.00 H new ATOM 921 N LEU A 122 -1.977 19.303 7.577 1.00 1.00 N ATOM 922 CA LEU A 122 -1.241 19.585 6.314 1.00 1.00 C ATOM 923 C LEU A 122 0.026 18.729 6.279 1.00 1.00 C ATOM 924 O LEU A 122 0.613 18.434 7.301 1.00 1.00 O ATOM 925 CB LEU A 122 -0.865 21.068 6.256 1.00 1.00 C ATOM 926 CG LEU A 122 -1.802 21.794 5.290 1.00 1.00 C ATOM 927 CD1 LEU A 122 -1.540 21.310 3.863 1.00 1.00 C ATOM 928 CD2 LEU A 122 -3.255 21.497 5.668 1.00 1.00 C ATOM 0 H LEU A 122 -1.671 19.838 8.390 1.00 1.00 H new ATOM 0 HA LEU A 122 -1.871 19.346 5.457 1.00 1.00 H new ATOM 0 HB2 LEU A 122 -0.935 21.511 7.249 1.00 1.00 H new ATOM 0 HB3 LEU A 122 0.169 21.180 5.929 1.00 1.00 H new ATOM 0 HG LEU A 122 -1.622 22.867 5.349 1.00 1.00 H new ATOM 0 HD11 LEU A 122 -2.208 21.828 3.175 1.00 1.00 H new ATOM 0 HD12 LEU A 122 -0.505 21.520 3.592 1.00 1.00 H new ATOM 0 HD13 LEU A 122 -1.719 20.236 3.804 1.00 1.00 H new ATOM 0 HD21 LEU A 122 -3.923 22.014 4.980 1.00 1.00 H new ATOM 0 HD22 LEU A 122 -3.434 20.423 5.609 1.00 1.00 H new ATOM 0 HD23 LEU A 122 -3.444 21.841 6.685 1.00 1.00 H new ATOM 929 N VAL A 123 0.451 18.321 5.116 1.00 1.00 N ATOM 930 CA VAL A 123 1.678 17.482 5.034 1.00 1.00 C ATOM 931 C VAL A 123 2.909 18.353 5.293 1.00 1.00 C ATOM 932 O VAL A 123 3.224 19.247 4.533 1.00 1.00 O ATOM 933 CB VAL A 123 1.776 16.841 3.648 1.00 1.00 C ATOM 934 CG1 VAL A 123 0.417 16.259 3.257 1.00 1.00 C ATOM 935 CG2 VAL A 123 2.191 17.896 2.622 1.00 1.00 C ATOM 0 H VAL A 123 0.004 18.531 4.223 1.00 1.00 H new ATOM 0 HA VAL A 123 1.629 16.694 5.786 1.00 1.00 H new ATOM 0 HB VAL A 123 2.520 16.045 3.671 1.00 1.00 H new ATOM 0 HG11 VAL A 123 0.487 15.803 2.270 1.00 1.00 H new ATOM 0 HG12 VAL A 123 0.121 15.504 3.986 1.00 1.00 H new ATOM 0 HG13 VAL A 123 -0.327 17.055 3.237 1.00 1.00 H new ATOM 0 HG21 VAL A 123 2.260 17.437 1.636 1.00 1.00 H new ATOM 0 HG22 VAL A 123 1.449 18.694 2.600 1.00 1.00 H new ATOM 0 HG23 VAL A 123 3.161 18.310 2.898 1.00 1.00 H new ATOM 936 N GLN A 124 3.607 18.097 6.363 1.00 1.00 N ATOM 937 CA GLN A 124 4.817 18.905 6.673 1.00 1.00 C ATOM 938 C GLN A 124 6.064 18.072 6.382 1.00 1.00 C ATOM 939 O GLN A 124 6.202 16.967 6.863 1.00 1.00 O ATOM 940 CB GLN A 124 4.804 19.294 8.154 1.00 1.00 C ATOM 941 CG GLN A 124 4.474 20.780 8.295 1.00 1.00 C ATOM 942 CD GLN A 124 3.184 21.091 7.538 1.00 1.00 C ATOM 943 OE1 GLN A 124 2.182 20.260 7.616 1.00 1.00 O flip ATOM 944 NE2 GLN A 124 3.085 22.101 6.869 1.00 1.00 N flip ATOM 0 H GLN A 124 3.391 17.362 7.037 1.00 1.00 H new ATOM 0 HA GLN A 124 4.823 19.806 6.059 1.00 1.00 H new ATOM 0 HB2 GLN A 124 4.067 18.696 8.690 1.00 1.00 H new ATOM 0 HB3 GLN A 124 5.774 19.083 8.604 1.00 1.00 H new ATOM 0 HG2 GLN A 124 4.362 21.040 9.348 1.00 1.00 H new ATOM 0 HG3 GLN A 124 5.293 21.384 7.903 1.00 1.00 H new ATOM 0 HE21 GLN A 124 3.869 22.751 6.808 1.00 1.00 H new ATOM 0 HE22 GLN A 124 2.218 22.298 6.369 1.00 1.00 H new ATOM 945 N GLU A 125 6.974 18.592 5.604 1.00 1.00 N ATOM 946 CA GLU A 125 8.214 17.825 5.293 1.00 1.00 C ATOM 947 C GLU A 125 8.932 17.497 6.605 1.00 1.00 C ATOM 948 O GLU A 125 9.775 18.243 7.059 1.00 1.00 O ATOM 949 CB GLU A 125 9.133 18.675 4.413 1.00 1.00 C ATOM 950 CG GLU A 125 8.305 19.365 3.329 1.00 1.00 C ATOM 951 CD GLU A 125 9.232 19.875 2.224 1.00 1.00 C ATOM 952 OE1 GLU A 125 10.053 20.730 2.515 1.00 1.00 O ATOM 953 OE2 GLU A 125 9.106 19.402 1.107 1.00 1.00 O ATOM 0 H GLU A 125 6.913 19.513 5.171 1.00 1.00 H new ATOM 0 HA GLU A 125 7.959 16.906 4.766 1.00 1.00 H new ATOM 0 HB2 GLU A 125 9.649 19.419 5.020 1.00 1.00 H new ATOM 0 HB3 GLU A 125 9.899 18.048 3.957 1.00 1.00 H new ATOM 0 HG2 GLU A 125 7.577 18.668 2.914 1.00 1.00 H new ATOM 0 HG3 GLU A 125 7.743 20.195 3.759 1.00 1.00 H new ATOM 954 N CYS A 126 8.601 16.396 7.221 1.00 1.00 N ATOM 955 CA CYS A 126 9.256 16.030 8.508 1.00 1.00 C ATOM 956 C CYS A 126 10.758 16.313 8.424 1.00 1.00 C ATOM 957 O CYS A 126 11.451 15.789 7.575 1.00 1.00 O ATOM 958 CB CYS A 126 9.033 14.543 8.780 1.00 1.00 C ATOM 959 SG CYS A 126 7.357 14.090 8.275 1.00 1.00 S ATOM 0 H CYS A 126 7.903 15.732 6.887 1.00 1.00 H new ATOM 0 HA CYS A 126 8.825 16.622 9.316 1.00 1.00 H new ATOM 0 HB2 CYS A 126 9.764 13.948 8.233 1.00 1.00 H new ATOM 0 HB3 CYS A 126 9.177 14.329 9.839 1.00 1.00 H new ATOM 960 N MET A 127 11.265 17.136 9.300 1.00 1.00 N ATOM 961 CA MET A 127 12.721 17.450 9.271 1.00 1.00 C ATOM 962 C MET A 127 13.518 16.187 9.602 1.00 1.00 C ATOM 963 O MET A 127 13.176 15.443 10.500 1.00 1.00 O ATOM 964 CB MET A 127 13.028 18.535 10.305 1.00 1.00 C ATOM 965 CG MET A 127 13.105 19.895 9.610 1.00 1.00 C ATOM 966 SD MET A 127 14.469 20.855 10.312 1.00 1.00 S ATOM 967 CE MET A 127 14.100 22.417 9.477 1.00 1.00 C ATOM 0 H MET A 127 10.734 17.604 10.034 1.00 1.00 H new ATOM 0 HA MET A 127 12.999 17.806 8.279 1.00 1.00 H new ATOM 0 HB2 MET A 127 12.254 18.550 11.072 1.00 1.00 H new ATOM 0 HB3 MET A 127 13.971 18.317 10.807 1.00 1.00 H new ATOM 0 HG2 MET A 127 13.255 19.760 8.539 1.00 1.00 H new ATOM 0 HG3 MET A 127 12.165 20.433 9.735 1.00 1.00 H new ATOM 0 HE1 MET A 127 14.833 23.169 9.771 1.00 1.00 H new ATOM 0 HE2 MET A 127 14.142 22.271 8.398 1.00 1.00 H new ATOM 0 HE3 MET A 127 13.102 22.753 9.759 1.00 1.00 H new ATOM 968 N VAL A 128 14.577 15.935 8.882 1.00 1.00 N ATOM 969 CA VAL A 128 15.391 14.717 9.156 1.00 1.00 C ATOM 970 C VAL A 128 16.870 15.097 9.245 1.00 1.00 C ATOM 971 O VAL A 128 17.709 14.524 8.578 1.00 1.00 O ATOM 972 CB VAL A 128 15.190 13.707 8.026 1.00 1.00 C ATOM 973 CG1 VAL A 128 13.695 13.539 7.750 1.00 1.00 C ATOM 974 CG2 VAL A 128 15.887 14.213 6.761 1.00 1.00 C ATOM 0 H VAL A 128 14.913 16.519 8.117 1.00 1.00 H new ATOM 0 HA VAL A 128 15.075 14.275 10.101 1.00 1.00 H new ATOM 0 HB VAL A 128 15.615 12.747 8.318 1.00 1.00 H new ATOM 0 HG11 VAL A 128 13.552 12.819 6.944 1.00 1.00 H new ATOM 0 HG12 VAL A 128 13.197 13.179 8.650 1.00 1.00 H new ATOM 0 HG13 VAL A 128 13.269 14.499 7.458 1.00 1.00 H new ATOM 0 HG21 VAL A 128 15.744 13.494 5.955 1.00 1.00 H new ATOM 0 HG22 VAL A 128 15.461 15.173 6.470 1.00 1.00 H new ATOM 0 HG23 VAL A 128 16.953 14.333 6.956 1.00 1.00 H new ATOM 975 N HIS A 129 17.198 16.058 10.065 1.00 1.00 N ATOM 976 CA HIS A 129 18.607 16.475 10.202 1.00 1.00 C ATOM 977 C HIS A 129 19.399 15.371 10.907 1.00 1.00 C ATOM 978 O HIS A 129 18.888 14.678 11.764 1.00 1.00 O ATOM 979 CB HIS A 129 18.678 17.762 11.028 1.00 1.00 C ATOM 980 CG HIS A 129 17.514 17.867 11.978 1.00 1.00 C ATOM 981 ND1 HIS A 129 16.591 18.898 11.905 1.00 1.00 N ATOM 982 CD2 HIS A 129 17.110 17.075 13.025 1.00 1.00 C ATOM 983 CE1 HIS A 129 15.686 18.701 12.881 1.00 1.00 C ATOM 984 NE2 HIS A 129 15.956 17.604 13.594 1.00 1.00 N ATOM 0 H HIS A 129 16.538 16.572 10.648 1.00 1.00 H new ATOM 0 HA HIS A 129 19.033 16.653 9.214 1.00 1.00 H new ATOM 0 HB2 HIS A 129 19.612 17.785 11.590 1.00 1.00 H new ATOM 0 HB3 HIS A 129 18.685 18.625 10.362 1.00 1.00 H new ATOM 0 HD1 HIS A 129 16.597 19.666 11.234 1.00 1.00 H new ATOM 0 HD2 HIS A 129 17.612 16.178 13.356 1.00 1.00 H new ATOM 0 HE1 HIS A 129 14.843 19.351 13.066 1.00 1.00 H new