USER MOD reduce.3.24.130724 H: found=0, std=0, add=1510, rem=0, adj=38 USER MOD reduce.3.24.130724 removed 1510 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: B 89 THR OG1 : rot -67:sc= 0.463 USER MOD Set 1.2: B 90 HIS : no HD1:sc= -0.306 K(o=0.16,f=-2.4) USER MOD Set 2.1: B 30 LYS NZ :NH3+ -171:sc= 1.18 (180deg=1.15) USER MOD Set 2.2: B 59 GLN : amide:sc= -1.43 X(o=-0.25,f=0.12) USER MOD Set 3.1: B 38 THR OG1 : rot -179:sc= 0.038 USER MOD Set 3.2: B 49 LYS NZ :NH3+ 176:sc= -1.12 (180deg=-1.54) USER MOD Set 4.1: A 2 THR OG1 : rot -38:sc= 1.26 USER MOD Set 4.2: B 18 TYR OH : rot -119:sc= 2.19 USER MOD Set 5.1: A 89 THR OG1 : rot -67:sc= 0.499 USER MOD Set 5.2: A 90 HIS : no HD1:sc= -0.5 K(o=-0.00016,f=-2.4) USER MOD Set 6.1: A 30 LYS NZ :NH3+ 170:sc= 1.18 (180deg=1.17) USER MOD Set 6.2: A 59 GLN : amide:sc= -1.38 X(o=-0.2,f=0.25) USER MOD Set 7.1: A 38 THR OG1 : rot -176:sc= -0.0402 USER MOD Set 7.2: A 49 LYS NZ :NH3+ 172:sc= -1.06 (180deg=-1.53) USER MOD Set 8.1: A 18 TYR OH : rot -120:sc= 2.22 USER MOD Set 8.2: B 2 THR OG1 : rot -69:sc= 1.15 USER MOD Single : A 1 MET CE :methyl -160:sc= -0.145 (180deg=-0.7) USER MOD Single : A 1 MET N :NH3+ -170:sc= 0 (180deg=-0.109) USER MOD Single : A 3 LYS NZ :NH3+ -138:sc= 1.2 (180deg=0.2) USER MOD Single : A 7 HIS : no HD1:sc= -0.0176 K(o=-0.018,f=-6.4!) USER MOD Single : A 13 ASN : amide:sc= -1.53! X(o=-1.5!,f=-1.4) USER MOD Single : A 16 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 17 GLN : amide:sc= 0.331 X(o=0.33,f=-0.023) USER MOD Single : A 19 SER OG : rot 155:sc= 1.03 USER MOD Single : A 22 LYS NZ :NH3+ 142:sc= 1.25 (180deg=-0.332) USER MOD Single : A 24 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0.0526 USER MOD Single : A 29 SER OG : rot -71:sc= 1.13 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 GLN : amide:sc= 0.373 X(o=0.37,f=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 ASN : amide:sc= -0.228 X(o=-0.23,f=-0.16) USER MOD Single : A 44 THR OG1 : rot -80:sc= -0.0664 USER MOD Single : A 46 LYS NZ :NH3+ 171:sc= -1.08 (180deg=-1.41) USER MOD Single : A 47 ASN : amide:sc= 0.0139 X(o=0.014,f=-0.067) USER MOD Single : A 51 LYS NZ :NH3+ -165:sc= -0.0383 (180deg=-0.255) USER MOD Single : A 64 ASN : amide:sc= 0.718 K(o=0.72,f=-0.00025) USER MOD Single : A 65 GLN : amide:sc= -0.93 K(o=-0.93,f=-0.052) USER MOD Single : A 68 GLN : amide:sc= -0.518 K(o=-0.52,f=-1.4) USER MOD Single : A 72 GLN : amide:sc= 0 X(o=0,f=-0.41) USER MOD Single : A 76 SER OG : rot 36:sc= 1.24 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 HIS : no HD1:sc= 0.7 K(o=0.7,f=-4.9!) USER MOD Single : A 91 LYS NZ :NH3+ 142:sc= 0.0835 (180deg=-0.558) USER MOD Single : B 1 MET CE :methyl -160:sc= -0.162 (180deg=-0.749) USER MOD Single : B 1 MET N :NH3+ -170:sc= 0 (180deg=-0.103) USER MOD Single : B 3 LYS NZ :NH3+ -145:sc= 1.24 (180deg=0.219) USER MOD Single : B 7 HIS : no HD1:sc= -0.126 K(o=-0.13,f=-6.9!) USER MOD Single : B 13 ASN : amide:sc= -1.65! X(o=-1.6!,f=-1.4) USER MOD Single : B 16 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 17 GLN : amide:sc= 0.357 X(o=0.36,f=-0.026) USER MOD Single : B 19 SER OG : rot 155:sc= 1.06 USER MOD Single : B 22 LYS NZ :NH3+ 131:sc= 1.19 (180deg=-0.274) USER MOD Single : B 24 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 27 THR OG1 : rot 180:sc= 0.0612 USER MOD Single : B 29 SER OG : rot -69:sc= 1.21 USER MOD Single : B 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 35 GLN : amide:sc= 0.363 X(o=0.36,f=0) USER MOD Single : B 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 43 ASN : amide:sc= -0.279 X(o=-0.28,f=-0.18) USER MOD Single : B 44 THR OG1 : rot -80:sc= -0.0786 USER MOD Single : B 46 LYS NZ :NH3+ 170:sc= -1.19 (180deg=-1.49) USER MOD Single : B 47 ASN : amide:sc= 0.00337 X(o=0.0034,f=-0.094) USER MOD Single : B 51 LYS NZ :NH3+ -164:sc= -0.0289 (180deg=-0.249) USER MOD Single : B 64 ASN : amide:sc= 0.749 K(o=0.75,f=-0.099) USER MOD Single : B 65 GLN : amide:sc= -1.11 K(o=-1.1,f=-0.11) USER MOD Single : B 68 GLN : amide:sc= -0.511 K(o=-0.51,f=-1.5) USER MOD Single : B 72 GLN : amide:sc= 0 X(o=0,f=-0.42) USER MOD Single : B 76 SER OG : rot 43:sc= 1.3 USER MOD Single : B 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 86 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 87 TYR OH : rot 180:sc= 0 USER MOD Single : B 88 HIS : no HD1:sc= 0.707 K(o=0.71,f=-4.9!) USER MOD Single : B 91 LYS NZ :NH3+ 135:sc= 0.107 (180deg=-0.489) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -8.326 -2.925 15.509 1.00 4.69 N ATOM 2 CA MET A 1 -9.145 -2.736 14.284 1.00 4.21 C ATOM 3 C MET A 1 -8.900 -1.360 13.677 1.00 3.60 C ATOM 4 O MET A 1 -8.250 -1.234 12.640 1.00 4.04 O ATOM 5 CB MET A 1 -10.638 -2.895 14.594 1.00 4.50 C ATOM 6 CG MET A 1 -11.034 -4.290 15.046 1.00 5.00 C ATOM 7 SD MET A 1 -12.788 -4.416 15.453 1.00 5.79 S ATOM 8 CE MET A 1 -12.896 -3.294 16.846 1.00 6.42 C ATOM 0 H1 MET A 1 -8.376 -3.919 15.810 1.00 4.69 H new ATOM 0 H2 MET A 1 -7.337 -2.674 15.308 1.00 4.69 H new ATOM 0 H3 MET A 1 -8.691 -2.315 16.268 1.00 4.69 H new ATOM 0 HA MET A 1 -8.847 -3.502 13.568 1.00 4.21 H new ATOM 0 HB2 MET A 1 -10.915 -2.181 15.370 1.00 4.50 H new ATOM 0 HB3 MET A 1 -11.212 -2.637 13.704 1.00 4.50 H new ATOM 0 HG2 MET A 1 -10.795 -5.005 14.258 1.00 5.00 H new ATOM 0 HG3 MET A 1 -10.442 -4.567 15.918 1.00 5.00 H new ATOM 0 HE1 MET A 1 -13.792 -3.518 17.425 1.00 6.42 H new ATOM 0 HE2 MET A 1 -12.016 -3.414 17.479 1.00 6.42 H new ATOM 0 HE3 MET A 1 -12.945 -2.267 16.483 1.00 6.42 H new ATOM 20 N THR A 2 -9.421 -0.333 14.334 1.00 3.06 N ATOM 21 CA THR A 2 -9.309 1.031 13.846 1.00 2.90 C ATOM 22 C THR A 2 -7.918 1.600 14.102 1.00 2.45 C ATOM 23 O THR A 2 -7.499 1.767 15.250 1.00 3.04 O ATOM 24 CB THR A 2 -10.366 1.935 14.511 1.00 3.67 C ATOM 25 OG1 THR A 2 -11.679 1.440 14.213 1.00 4.25 O ATOM 26 CG2 THR A 2 -10.240 3.375 14.034 1.00 4.23 C ATOM 0 H THR A 2 -9.929 -0.422 15.214 1.00 3.06 H new ATOM 0 HA THR A 2 -9.481 1.007 12.770 1.00 2.90 H new ATOM 0 HB THR A 2 -10.200 1.919 15.588 1.00 3.67 H new ATOM 0 HG1 THR A 2 -11.704 1.116 13.289 1.00 4.25 H new ATOM 0 HG21 THR A 2 -10.999 3.987 14.521 1.00 4.23 H new ATOM 0 HG22 THR A 2 -9.250 3.756 14.285 1.00 4.23 H new ATOM 0 HG23 THR A 2 -10.380 3.414 12.954 1.00 4.23 H new ATOM 34 N LYS A 3 -7.200 1.886 13.026 1.00 2.16 N ATOM 35 CA LYS A 3 -5.892 2.513 13.129 1.00 2.53 C ATOM 36 C LYS A 3 -5.891 3.830 12.366 1.00 2.08 C ATOM 37 O LYS A 3 -4.850 4.469 12.201 1.00 2.81 O ATOM 38 CB LYS A 3 -4.798 1.574 12.616 1.00 3.53 C ATOM 39 CG LYS A 3 -4.635 0.331 13.476 1.00 4.29 C ATOM 40 CD LYS A 3 -3.525 -0.575 12.970 1.00 5.38 C ATOM 41 CE LYS A 3 -3.371 -1.798 13.861 1.00 5.97 C ATOM 42 NZ LYS A 3 -2.347 -2.746 13.348 1.00 6.05 N ATOM 0 H LYS A 3 -7.502 1.693 12.071 1.00 2.16 H new ATOM 0 HA LYS A 3 -5.679 2.720 14.178 1.00 2.53 H new ATOM 0 HB2 LYS A 3 -5.032 1.275 11.594 1.00 3.53 H new ATOM 0 HB3 LYS A 3 -3.851 2.112 12.581 1.00 3.53 H new ATOM 0 HG2 LYS A 3 -4.420 0.627 14.503 1.00 4.29 H new ATOM 0 HG3 LYS A 3 -5.574 -0.222 13.494 1.00 4.29 H new ATOM 0 HD2 LYS A 3 -3.744 -0.889 11.950 1.00 5.38 H new ATOM 0 HD3 LYS A 3 -2.586 -0.023 12.939 1.00 5.38 H new ATOM 0 HE2 LYS A 3 -3.096 -1.480 14.867 1.00 5.97 H new ATOM 0 HE3 LYS A 3 -4.330 -2.310 13.940 1.00 5.97 H new ATOM 0 HZ1 LYS A 3 -2.696 -3.721 13.446 1.00 6.05 H new ATOM 0 HZ2 LYS A 3 -2.159 -2.545 12.345 1.00 6.05 H new ATOM 0 HZ3 LYS A 3 -1.468 -2.637 13.894 1.00 6.05 H new ATOM 56 N LEU A 4 -7.080 4.208 11.901 1.00 1.61 N ATOM 57 CA LEU A 4 -7.315 5.485 11.239 1.00 1.98 C ATOM 58 C LEU A 4 -6.434 5.637 9.999 1.00 1.51 C ATOM 59 O LEU A 4 -6.694 5.023 8.969 1.00 2.03 O ATOM 60 CB LEU A 4 -7.103 6.647 12.219 1.00 3.02 C ATOM 61 CG LEU A 4 -7.710 7.984 11.791 1.00 3.80 C ATOM 62 CD1 LEU A 4 -9.226 7.933 11.875 1.00 4.50 C ATOM 63 CD2 LEU A 4 -7.164 9.114 12.646 1.00 4.44 C ATOM 0 H LEU A 4 -7.916 3.628 11.975 1.00 1.61 H new ATOM 0 HA LEU A 4 -8.352 5.508 10.905 1.00 1.98 H new ATOM 0 HB2 LEU A 4 -7.525 6.368 13.184 1.00 3.02 H new ATOM 0 HB3 LEU A 4 -6.032 6.784 12.367 1.00 3.02 H new ATOM 0 HG LEU A 4 -7.431 8.173 10.754 1.00 3.80 H new ATOM 0 HD11 LEU A 4 -9.640 8.893 11.567 1.00 4.50 H new ATOM 0 HD12 LEU A 4 -9.601 7.148 11.218 1.00 4.50 H new ATOM 0 HD13 LEU A 4 -9.527 7.721 12.901 1.00 4.50 H new ATOM 0 HD21 LEU A 4 -7.607 10.058 12.328 1.00 4.44 H new ATOM 0 HD22 LEU A 4 -7.412 8.932 13.692 1.00 4.44 H new ATOM 0 HD23 LEU A 4 -6.081 9.165 12.533 1.00 4.44 H new ATOM 75 N GLU A 5 -5.375 6.424 10.099 1.00 1.20 N ATOM 76 CA GLU A 5 -4.483 6.633 8.971 1.00 0.93 C ATOM 77 C GLU A 5 -3.035 6.390 9.365 1.00 0.69 C ATOM 78 O GLU A 5 -2.113 6.655 8.591 1.00 0.68 O ATOM 79 CB GLU A 5 -4.673 8.037 8.388 1.00 1.39 C ATOM 80 CG GLU A 5 -5.050 9.101 9.411 1.00 1.80 C ATOM 81 CD GLU A 5 -3.917 9.481 10.336 1.00 2.48 C ATOM 82 OE1 GLU A 5 -3.588 8.692 11.245 1.00 3.10 O ATOM 83 OE2 GLU A 5 -3.366 10.587 10.170 1.00 3.00 O ATOM 0 H GLU A 5 -5.113 6.927 10.947 1.00 1.20 H new ATOM 0 HA GLU A 5 -4.737 5.909 8.197 1.00 0.93 H new ATOM 0 HB2 GLU A 5 -3.750 8.339 7.892 1.00 1.39 H new ATOM 0 HB3 GLU A 5 -5.448 7.997 7.622 1.00 1.39 H new ATOM 0 HG2 GLU A 5 -5.393 9.992 8.886 1.00 1.80 H new ATOM 0 HG3 GLU A 5 -5.888 8.739 10.007 1.00 1.80 H new ATOM 90 N GLU A 6 -2.846 5.834 10.558 1.00 0.68 N ATOM 91 CA GLU A 6 -1.513 5.546 11.072 1.00 0.67 C ATOM 92 C GLU A 6 -0.829 4.486 10.216 1.00 0.54 C ATOM 93 O GLU A 6 0.386 4.340 10.238 1.00 0.60 O ATOM 94 CB GLU A 6 -1.583 5.069 12.524 1.00 0.78 C ATOM 95 CG GLU A 6 -0.223 4.993 13.198 1.00 1.07 C ATOM 96 CD GLU A 6 -0.250 4.211 14.491 1.00 1.79 C ATOM 97 OE1 GLU A 6 -0.705 4.756 15.519 1.00 2.48 O ATOM 98 OE2 GLU A 6 0.196 3.047 14.487 1.00 2.51 O ATOM 0 H GLU A 6 -3.604 5.573 11.189 1.00 0.68 H new ATOM 0 HA GLU A 6 -0.931 6.467 11.032 1.00 0.67 H new ATOM 0 HB2 GLU A 6 -2.224 5.744 13.090 1.00 0.78 H new ATOM 0 HB3 GLU A 6 -2.051 4.085 12.554 1.00 0.78 H new ATOM 0 HG2 GLU A 6 0.490 4.531 12.515 1.00 1.07 H new ATOM 0 HG3 GLU A 6 0.135 6.003 13.398 1.00 1.07 H new ATOM 105 N HIS A 7 -1.620 3.744 9.459 1.00 0.42 N ATOM 106 CA HIS A 7 -1.078 2.702 8.603 1.00 0.38 C ATOM 107 C HIS A 7 -0.554 3.284 7.293 1.00 0.35 C ATOM 108 O HIS A 7 0.352 2.725 6.686 1.00 0.39 O ATOM 109 CB HIS A 7 -2.104 1.580 8.349 1.00 0.43 C ATOM 110 CG HIS A 7 -3.511 2.030 8.063 1.00 0.95 C ATOM 111 ND1 HIS A 7 -4.059 2.056 6.797 1.00 1.73 N ATOM 112 CD2 HIS A 7 -4.503 2.417 8.905 1.00 1.60 C ATOM 113 CE1 HIS A 7 -5.326 2.437 6.877 1.00 2.16 C ATOM 114 NE2 HIS A 7 -5.616 2.658 8.144 1.00 2.03 N ATOM 0 H HIS A 7 -2.634 3.843 9.419 1.00 0.42 H new ATOM 0 HA HIS A 7 -0.235 2.253 9.129 1.00 0.38 H new ATOM 0 HB2 HIS A 7 -1.757 0.980 7.508 1.00 0.43 H new ATOM 0 HB3 HIS A 7 -2.122 0.926 9.221 1.00 0.43 H new ATOM 0 HD2 HIS A 7 -4.428 2.517 9.978 1.00 1.60 H new ATOM 0 HE1 HIS A 7 -6.006 2.548 6.045 1.00 2.16 H new ATOM 0 HE2 HIS A 7 -6.523 2.960 8.500 1.00 2.03 H new ATOM 123 N LEU A 8 -1.096 4.422 6.876 1.00 0.34 N ATOM 124 CA LEU A 8 -0.636 5.067 5.650 1.00 0.32 C ATOM 125 C LEU A 8 0.607 5.894 5.915 1.00 0.33 C ATOM 126 O LEU A 8 1.674 5.611 5.374 1.00 0.33 O ATOM 127 CB LEU A 8 -1.728 5.954 5.075 1.00 0.33 C ATOM 128 CG LEU A 8 -3.030 5.228 4.764 1.00 0.32 C ATOM 129 CD1 LEU A 8 -4.029 6.176 4.146 1.00 0.32 C ATOM 130 CD2 LEU A 8 -2.785 4.034 3.853 1.00 0.33 C ATOM 0 H LEU A 8 -1.846 4.914 7.362 1.00 0.34 H new ATOM 0 HA LEU A 8 -0.393 4.287 4.928 1.00 0.32 H new ATOM 0 HB2 LEU A 8 -1.935 6.759 5.781 1.00 0.33 H new ATOM 0 HB3 LEU A 8 -1.358 6.419 4.161 1.00 0.33 H new ATOM 0 HG LEU A 8 -3.443 4.855 5.701 1.00 0.32 H new ATOM 0 HD11 LEU A 8 -4.954 5.640 3.930 1.00 0.32 H new ATOM 0 HD12 LEU A 8 -4.235 6.991 4.840 1.00 0.32 H new ATOM 0 HD13 LEU A 8 -3.621 6.582 3.221 1.00 0.32 H new ATOM 0 HD21 LEU A 8 -3.731 3.534 3.647 1.00 0.33 H new ATOM 0 HD22 LEU A 8 -2.343 4.375 2.917 1.00 0.33 H new ATOM 0 HD23 LEU A 8 -2.105 3.337 4.342 1.00 0.33 H new ATOM 142 N GLU A 9 0.485 6.894 6.780 1.00 0.37 N ATOM 143 CA GLU A 9 1.634 7.716 7.122 1.00 0.40 C ATOM 144 C GLU A 9 2.644 6.891 7.906 1.00 0.40 C ATOM 145 O GLU A 9 3.830 7.222 7.961 1.00 0.42 O ATOM 146 CB GLU A 9 1.226 8.966 7.906 1.00 0.47 C ATOM 147 CG GLU A 9 0.451 9.975 7.074 1.00 1.24 C ATOM 148 CD GLU A 9 0.455 11.362 7.683 1.00 1.72 C ATOM 149 OE1 GLU A 9 1.519 12.017 7.666 1.00 2.17 O ATOM 150 OE2 GLU A 9 -0.598 11.809 8.174 1.00 2.41 O ATOM 0 H GLU A 9 -0.383 7.151 7.249 1.00 0.37 H new ATOM 0 HA GLU A 9 2.094 8.057 6.195 1.00 0.40 H new ATOM 0 HB2 GLU A 9 0.618 8.668 8.760 1.00 0.47 H new ATOM 0 HB3 GLU A 9 2.121 9.445 8.303 1.00 0.47 H new ATOM 0 HG2 GLU A 9 0.881 10.021 6.073 1.00 1.24 H new ATOM 0 HG3 GLU A 9 -0.578 9.634 6.964 1.00 1.24 H new ATOM 157 N GLY A 10 2.158 5.812 8.506 1.00 0.40 N ATOM 158 CA GLY A 10 3.024 4.883 9.194 1.00 0.43 C ATOM 159 C GLY A 10 4.004 4.216 8.257 1.00 0.39 C ATOM 160 O GLY A 10 5.209 4.260 8.491 1.00 0.44 O ATOM 0 H GLY A 10 1.169 5.565 8.526 1.00 0.40 H new ATOM 0 HA2 GLY A 10 3.572 5.410 9.975 1.00 0.43 H new ATOM 0 HA3 GLY A 10 2.419 4.122 9.687 1.00 0.43 H new ATOM 164 N ILE A 11 3.499 3.605 7.188 1.00 0.34 N ATOM 165 CA ILE A 11 4.368 2.972 6.202 1.00 0.33 C ATOM 166 C ILE A 11 5.293 4.008 5.570 1.00 0.33 C ATOM 167 O ILE A 11 6.465 3.736 5.303 1.00 0.38 O ATOM 168 CB ILE A 11 3.551 2.255 5.101 1.00 0.35 C ATOM 169 CG1 ILE A 11 2.776 1.080 5.702 1.00 0.41 C ATOM 170 CG2 ILE A 11 4.458 1.774 3.977 1.00 0.50 C ATOM 171 CD1 ILE A 11 1.942 0.318 4.695 1.00 1.16 C ATOM 0 H ILE A 11 2.502 3.535 6.984 1.00 0.34 H new ATOM 0 HA ILE A 11 4.965 2.222 6.721 1.00 0.33 H new ATOM 0 HB ILE A 11 2.841 2.968 4.681 1.00 0.35 H new ATOM 0 HG12 ILE A 11 3.481 0.393 6.169 1.00 0.41 H new ATOM 0 HG13 ILE A 11 2.124 1.453 6.492 1.00 0.41 H new ATOM 0 HG21 ILE A 11 3.860 1.273 3.216 1.00 0.50 H new ATOM 0 HG22 ILE A 11 4.971 2.627 3.533 1.00 0.50 H new ATOM 0 HG23 ILE A 11 5.194 1.076 4.377 1.00 0.50 H new ATOM 0 HD11 ILE A 11 1.423 -0.499 5.196 1.00 1.16 H new ATOM 0 HD12 ILE A 11 1.211 0.990 4.245 1.00 1.16 H new ATOM 0 HD13 ILE A 11 2.590 -0.087 3.918 1.00 1.16 H new ATOM 183 N VAL A 12 4.760 5.203 5.367 1.00 0.33 N ATOM 184 CA VAL A 12 5.520 6.299 4.782 1.00 0.38 C ATOM 185 C VAL A 12 6.728 6.683 5.642 1.00 0.40 C ATOM 186 O VAL A 12 7.849 6.768 5.136 1.00 0.45 O ATOM 187 CB VAL A 12 4.616 7.523 4.546 1.00 0.45 C ATOM 188 CG1 VAL A 12 5.424 8.753 4.174 1.00 0.57 C ATOM 189 CG2 VAL A 12 3.612 7.206 3.455 1.00 0.48 C ATOM 0 H VAL A 12 3.796 5.440 5.601 1.00 0.33 H new ATOM 0 HA VAL A 12 5.900 5.951 3.821 1.00 0.38 H new ATOM 0 HB VAL A 12 4.092 7.745 5.476 1.00 0.45 H new ATOM 0 HG11 VAL A 12 4.751 9.596 4.015 1.00 0.57 H new ATOM 0 HG12 VAL A 12 6.118 8.990 4.980 1.00 0.57 H new ATOM 0 HG13 VAL A 12 5.983 8.558 3.259 1.00 0.57 H new ATOM 0 HG21 VAL A 12 2.972 8.072 3.287 1.00 0.48 H new ATOM 0 HG22 VAL A 12 4.141 6.962 2.534 1.00 0.48 H new ATOM 0 HG23 VAL A 12 3.001 6.356 3.759 1.00 0.48 H new ATOM 199 N ASN A 13 6.518 6.893 6.940 1.00 0.42 N ATOM 200 CA ASN A 13 7.626 7.280 7.810 1.00 0.48 C ATOM 201 C ASN A 13 8.547 6.089 8.061 1.00 0.48 C ATOM 202 O ASN A 13 9.727 6.259 8.364 1.00 0.58 O ATOM 203 CB ASN A 13 7.142 7.888 9.140 1.00 0.61 C ATOM 204 CG ASN A 13 6.673 6.865 10.160 1.00 0.75 C ATOM 205 OD1 ASN A 13 7.472 6.312 10.917 1.00 1.31 O ATOM 206 ND2 ASN A 13 5.374 6.640 10.223 1.00 1.42 N ATOM 0 H ASN A 13 5.614 6.805 7.404 1.00 0.42 H new ATOM 0 HA ASN A 13 8.187 8.058 7.293 1.00 0.48 H new ATOM 0 HB2 ASN A 13 7.953 8.473 9.575 1.00 0.61 H new ATOM 0 HB3 ASN A 13 6.325 8.580 8.934 1.00 0.61 H new ATOM 0 HD21 ASN A 13 5.002 5.990 10.915 1.00 1.42 H new ATOM 0 HD22 ASN A 13 4.742 7.116 9.579 1.00 1.42 H new ATOM 213 N ILE A 14 8.004 4.883 7.913 1.00 0.47 N ATOM 214 CA ILE A 14 8.806 3.669 7.992 1.00 0.57 C ATOM 215 C ILE A 14 9.828 3.639 6.859 1.00 0.53 C ATOM 216 O ILE A 14 11.015 3.394 7.086 1.00 0.60 O ATOM 217 CB ILE A 14 7.917 2.400 7.951 1.00 0.68 C ATOM 218 CG1 ILE A 14 7.251 2.187 9.314 1.00 1.33 C ATOM 219 CG2 ILE A 14 8.717 1.169 7.543 1.00 1.14 C ATOM 220 CD1 ILE A 14 6.297 1.014 9.353 1.00 2.06 C ATOM 0 H ILE A 14 7.012 4.722 7.738 1.00 0.47 H new ATOM 0 HA ILE A 14 9.333 3.675 8.946 1.00 0.57 H new ATOM 0 HB ILE A 14 7.145 2.549 7.197 1.00 0.68 H new ATOM 0 HG12 ILE A 14 8.025 2.038 10.067 1.00 1.33 H new ATOM 0 HG13 ILE A 14 6.710 3.092 9.588 1.00 1.33 H new ATOM 0 HG21 ILE A 14 8.061 0.298 7.525 1.00 1.14 H new ATOM 0 HG22 ILE A 14 9.142 1.324 6.551 1.00 1.14 H new ATOM 0 HG23 ILE A 14 9.521 1.003 8.260 1.00 1.14 H new ATOM 0 HD11 ILE A 14 5.866 0.929 10.351 1.00 2.06 H new ATOM 0 HD12 ILE A 14 5.500 1.169 8.625 1.00 2.06 H new ATOM 0 HD13 ILE A 14 6.836 0.098 9.111 1.00 2.06 H new ATOM 232 N PHE A 15 9.371 3.923 5.644 1.00 0.48 N ATOM 233 CA PHE A 15 10.261 3.971 4.492 1.00 0.58 C ATOM 234 C PHE A 15 11.303 5.069 4.683 1.00 0.60 C ATOM 235 O PHE A 15 12.477 4.888 4.377 1.00 0.70 O ATOM 236 CB PHE A 15 9.461 4.211 3.209 1.00 0.68 C ATOM 237 CG PHE A 15 10.289 4.170 1.952 1.00 1.18 C ATOM 238 CD1 PHE A 15 11.108 3.087 1.677 1.00 1.74 C ATOM 239 CD2 PHE A 15 10.244 5.213 1.043 1.00 1.93 C ATOM 240 CE1 PHE A 15 11.863 3.045 0.521 1.00 2.35 C ATOM 241 CE2 PHE A 15 10.995 5.177 -0.115 1.00 2.54 C ATOM 242 CZ PHE A 15 11.806 4.092 -0.376 1.00 2.57 C ATOM 0 H PHE A 15 8.393 4.123 5.433 1.00 0.48 H new ATOM 0 HA PHE A 15 10.773 3.013 4.403 1.00 0.58 H new ATOM 0 HB2 PHE A 15 8.675 3.460 3.138 1.00 0.68 H new ATOM 0 HB3 PHE A 15 8.969 5.182 3.276 1.00 0.68 H new ATOM 0 HD1 PHE A 15 11.157 2.265 2.376 1.00 1.74 H new ATOM 0 HD2 PHE A 15 9.613 6.066 1.242 1.00 1.93 H new ATOM 0 HE1 PHE A 15 12.497 2.194 0.320 1.00 2.35 H new ATOM 0 HE2 PHE A 15 10.948 5.997 -0.816 1.00 2.54 H new ATOM 0 HZ PHE A 15 12.395 4.062 -1.281 1.00 2.57 H new ATOM 252 N HIS A 16 10.861 6.192 5.232 1.00 0.59 N ATOM 253 CA HIS A 16 11.738 7.328 5.488 1.00 0.71 C ATOM 254 C HIS A 16 12.810 6.975 6.526 1.00 0.75 C ATOM 255 O HIS A 16 13.892 7.562 6.536 1.00 0.88 O ATOM 256 CB HIS A 16 10.903 8.520 5.971 1.00 0.77 C ATOM 257 CG HIS A 16 11.671 9.801 6.108 1.00 1.15 C ATOM 258 ND1 HIS A 16 12.112 10.290 7.318 1.00 1.82 N ATOM 259 CD2 HIS A 16 12.055 10.706 5.179 1.00 1.84 C ATOM 260 CE1 HIS A 16 12.731 11.439 7.126 1.00 2.22 C ATOM 261 NE2 HIS A 16 12.713 11.712 5.838 1.00 2.23 N ATOM 0 H HIS A 16 9.891 6.342 5.511 1.00 0.59 H new ATOM 0 HA HIS A 16 12.246 7.592 4.560 1.00 0.71 H new ATOM 0 HB2 HIS A 16 10.080 8.677 5.274 1.00 0.77 H new ATOM 0 HB3 HIS A 16 10.461 8.271 6.936 1.00 0.77 H new ATOM 0 HD2 HIS A 16 11.876 10.647 4.116 1.00 1.84 H new ATOM 0 HE1 HIS A 16 13.177 12.052 7.895 1.00 2.22 H new ATOM 0 HE2 HIS A 16 13.122 12.538 5.401 1.00 2.23 H new ATOM 270 N GLN A 17 12.501 6.012 7.390 1.00 0.69 N ATOM 271 CA GLN A 17 13.403 5.633 8.473 1.00 0.81 C ATOM 272 C GLN A 17 14.425 4.584 8.026 1.00 0.93 C ATOM 273 O GLN A 17 15.610 4.691 8.350 1.00 1.18 O ATOM 274 CB GLN A 17 12.603 5.103 9.667 1.00 0.85 C ATOM 275 CG GLN A 17 13.463 4.735 10.869 1.00 1.27 C ATOM 276 CD GLN A 17 14.224 5.923 11.431 1.00 1.99 C ATOM 277 OE1 GLN A 17 13.731 6.631 12.310 1.00 2.60 O ATOM 278 NE2 GLN A 17 15.429 6.150 10.929 1.00 2.77 N ATOM 0 H GLN A 17 11.632 5.479 7.361 1.00 0.69 H new ATOM 0 HA GLN A 17 13.951 6.528 8.768 1.00 0.81 H new ATOM 0 HB2 GLN A 17 11.877 5.857 9.969 1.00 0.85 H new ATOM 0 HB3 GLN A 17 12.039 4.225 9.353 1.00 0.85 H new ATOM 0 HG2 GLN A 17 12.829 4.313 11.649 1.00 1.27 H new ATOM 0 HG3 GLN A 17 14.171 3.959 10.580 1.00 1.27 H new ATOM 0 HE21 GLN A 17 15.802 5.540 10.202 1.00 2.77 H new ATOM 0 HE22 GLN A 17 15.984 6.935 11.270 1.00 2.77 H new ATOM 287 N TYR A 18 13.976 3.575 7.288 1.00 0.85 N ATOM 288 CA TYR A 18 14.856 2.484 6.895 1.00 1.07 C ATOM 289 C TYR A 18 15.586 2.827 5.608 1.00 1.34 C ATOM 290 O TYR A 18 16.639 2.269 5.309 1.00 1.76 O ATOM 291 CB TYR A 18 14.073 1.186 6.720 1.00 1.22 C ATOM 292 CG TYR A 18 13.504 0.624 8.006 1.00 2.34 C ATOM 293 CD1 TYR A 18 14.294 -0.131 8.861 1.00 3.14 C ATOM 294 CD2 TYR A 18 12.180 0.837 8.359 1.00 3.25 C ATOM 295 CE1 TYR A 18 13.780 -0.657 10.031 1.00 4.38 C ATOM 296 CE2 TYR A 18 11.657 0.311 9.525 1.00 4.48 C ATOM 297 CZ TYR A 18 12.461 -0.434 10.357 1.00 4.92 C ATOM 298 OH TYR A 18 11.942 -0.968 11.514 1.00 6.25 O ATOM 0 H TYR A 18 13.016 3.491 6.953 1.00 0.85 H new ATOM 0 HA TYR A 18 15.588 2.341 7.690 1.00 1.07 H new ATOM 0 HB2 TYR A 18 13.256 1.360 6.020 1.00 1.22 H new ATOM 0 HB3 TYR A 18 14.726 0.439 6.268 1.00 1.22 H new ATOM 0 HD1 TYR A 18 15.328 -0.311 8.608 1.00 3.14 H new ATOM 0 HD2 TYR A 18 11.546 1.424 7.711 1.00 3.25 H new ATOM 0 HE1 TYR A 18 14.410 -1.240 10.686 1.00 4.38 H new ATOM 0 HE2 TYR A 18 10.622 0.484 9.782 1.00 4.48 H new ATOM 0 HH TYR A 18 11.193 -1.561 11.294 1.00 6.25 H new ATOM 308 N SER A 19 15.006 3.733 4.844 1.00 1.32 N ATOM 309 CA SER A 19 15.634 4.230 3.642 1.00 1.77 C ATOM 310 C SER A 19 15.962 5.701 3.819 1.00 1.85 C ATOM 311 O SER A 19 15.193 6.582 3.436 1.00 2.32 O ATOM 312 CB SER A 19 14.717 4.004 2.442 1.00 2.37 C ATOM 313 OG SER A 19 14.330 2.640 2.367 1.00 3.01 O ATOM 0 H SER A 19 14.092 4.141 5.040 1.00 1.32 H new ATOM 0 HA SER A 19 16.562 3.689 3.457 1.00 1.77 H new ATOM 0 HB2 SER A 19 13.833 4.636 2.527 1.00 2.37 H new ATOM 0 HB3 SER A 19 15.229 4.295 1.525 1.00 2.37 H new ATOM 0 HG SER A 19 13.480 2.567 1.885 1.00 3.01 H new ATOM 319 N VAL A 20 17.112 5.953 4.416 1.00 2.11 N ATOM 320 CA VAL A 20 17.497 7.297 4.795 1.00 2.50 C ATOM 321 C VAL A 20 18.739 7.749 4.034 1.00 2.64 C ATOM 322 O VAL A 20 18.932 8.942 3.800 1.00 3.25 O ATOM 323 CB VAL A 20 17.735 7.396 6.323 1.00 3.30 C ATOM 324 CG1 VAL A 20 18.843 6.452 6.767 1.00 3.90 C ATOM 325 CG2 VAL A 20 18.045 8.827 6.742 1.00 4.13 C ATOM 0 H VAL A 20 17.800 5.237 4.650 1.00 2.11 H new ATOM 0 HA VAL A 20 16.675 7.962 4.531 1.00 2.50 H new ATOM 0 HB VAL A 20 16.813 7.093 6.820 1.00 3.30 H new ATOM 0 HG11 VAL A 20 18.989 6.543 7.843 1.00 3.90 H new ATOM 0 HG12 VAL A 20 18.566 5.426 6.523 1.00 3.90 H new ATOM 0 HG13 VAL A 20 19.769 6.710 6.253 1.00 3.90 H new ATOM 0 HG21 VAL A 20 18.207 8.864 7.819 1.00 4.13 H new ATOM 0 HG22 VAL A 20 18.943 9.170 6.228 1.00 4.13 H new ATOM 0 HG23 VAL A 20 17.207 9.473 6.479 1.00 4.13 H new ATOM 335 N ARG A 21 19.565 6.801 3.612 1.00 2.80 N ATOM 336 CA ARG A 21 20.808 7.146 2.943 1.00 3.55 C ATOM 337 C ARG A 21 20.611 7.206 1.434 1.00 3.96 C ATOM 338 O ARG A 21 20.373 6.185 0.784 1.00 4.55 O ATOM 339 CB ARG A 21 21.914 6.148 3.296 1.00 4.19 C ATOM 340 CG ARG A 21 23.292 6.574 2.809 1.00 4.83 C ATOM 341 CD ARG A 21 23.697 7.912 3.410 1.00 5.36 C ATOM 342 NE ARG A 21 25.010 8.357 2.949 1.00 5.87 N ATOM 343 CZ ARG A 21 25.400 9.632 2.940 1.00 6.57 C ATOM 344 NH1 ARG A 21 24.571 10.587 3.344 1.00 6.84 N ATOM 345 NH2 ARG A 21 26.619 9.950 2.518 1.00 7.28 N ATOM 0 H ARG A 21 19.399 5.800 3.720 1.00 2.80 H new ATOM 0 HA ARG A 21 21.113 8.133 3.291 1.00 3.55 H new ATOM 0 HB2 ARG A 21 21.944 6.018 4.378 1.00 4.19 H new ATOM 0 HB3 ARG A 21 21.668 5.178 2.865 1.00 4.19 H new ATOM 0 HG2 ARG A 21 24.026 5.814 3.077 1.00 4.83 H new ATOM 0 HG3 ARG A 21 23.290 6.646 1.721 1.00 4.83 H new ATOM 0 HD2 ARG A 21 22.951 8.663 3.152 1.00 5.36 H new ATOM 0 HD3 ARG A 21 23.705 7.831 4.497 1.00 5.36 H new ATOM 0 HE ARG A 21 25.666 7.651 2.615 1.00 5.87 H new ATOM 0 HH11 ARG A 21 23.632 10.346 3.663 1.00 6.84 H new ATOM 0 HH12 ARG A 21 24.873 11.561 3.336 1.00 6.84 H new ATOM 0 HH21 ARG A 21 27.256 9.219 2.201 1.00 7.28 H new ATOM 0 HH22 ARG A 21 26.918 10.925 2.511 1.00 7.28 H new ATOM 359 N LYS A 22 20.704 8.407 0.886 1.00 4.13 N ATOM 360 CA LYS A 22 20.562 8.606 -0.547 1.00 4.90 C ATOM 361 C LYS A 22 21.568 9.634 -1.054 1.00 5.04 C ATOM 362 O LYS A 22 22.415 10.101 -0.290 1.00 5.58 O ATOM 363 CB LYS A 22 19.119 9.009 -0.905 1.00 5.68 C ATOM 364 CG LYS A 22 18.472 10.035 0.026 1.00 6.44 C ATOM 365 CD LYS A 22 19.130 11.405 -0.060 1.00 7.32 C ATOM 366 CE LYS A 22 18.134 12.533 0.170 1.00 8.19 C ATOM 367 NZ LYS A 22 17.327 12.344 1.402 1.00 8.70 N ATOM 0 H LYS A 22 20.878 9.262 1.415 1.00 4.13 H new ATOM 0 HA LYS A 22 20.774 7.660 -1.045 1.00 4.90 H new ATOM 0 HB2 LYS A 22 19.113 9.410 -1.919 1.00 5.68 H new ATOM 0 HB3 LYS A 22 18.501 8.111 -0.913 1.00 5.68 H new ATOM 0 HG2 LYS A 22 17.415 10.128 -0.222 1.00 6.44 H new ATOM 0 HG3 LYS A 22 18.528 9.674 1.053 1.00 6.44 H new ATOM 0 HD2 LYS A 22 19.928 11.470 0.679 1.00 7.32 H new ATOM 0 HD3 LYS A 22 19.592 11.524 -1.040 1.00 7.32 H new ATOM 0 HE2 LYS A 22 18.672 13.479 0.235 1.00 8.19 H new ATOM 0 HE3 LYS A 22 17.467 12.604 -0.689 1.00 8.19 H new ATOM 0 HZ1 LYS A 22 17.181 13.263 1.866 1.00 8.70 H new ATOM 0 HZ2 LYS A 22 16.405 11.932 1.153 1.00 8.70 H new ATOM 0 HZ3 LYS A 22 17.829 11.704 2.051 1.00 8.70 H new ATOM 381 N GLY A 23 21.486 9.971 -2.334 1.00 4.88 N ATOM 382 CA GLY A 23 22.409 10.935 -2.906 1.00 5.26 C ATOM 383 C GLY A 23 22.005 12.367 -2.618 1.00 5.25 C ATOM 384 O GLY A 23 21.747 12.727 -1.469 1.00 5.67 O ATOM 0 H GLY A 23 20.798 9.595 -2.987 1.00 4.88 H new ATOM 0 HA2 GLY A 23 23.408 10.756 -2.509 1.00 5.26 H new ATOM 0 HA3 GLY A 23 22.463 10.786 -3.984 1.00 5.26 H new ATOM 388 N HIS A 24 21.947 13.187 -3.657 1.00 5.15 N ATOM 389 CA HIS A 24 21.503 14.568 -3.511 1.00 5.44 C ATOM 390 C HIS A 24 19.987 14.613 -3.456 1.00 4.99 C ATOM 391 O HIS A 24 19.396 15.399 -2.715 1.00 5.43 O ATOM 392 CB HIS A 24 22.013 15.440 -4.662 1.00 6.29 C ATOM 393 CG HIS A 24 23.465 15.790 -4.559 1.00 6.92 C ATOM 394 ND1 HIS A 24 23.915 17.069 -4.315 1.00 7.55 N ATOM 395 CD2 HIS A 24 24.573 15.022 -4.675 1.00 7.35 C ATOM 396 CE1 HIS A 24 25.233 17.073 -4.287 1.00 8.27 C ATOM 397 NE2 HIS A 24 25.659 15.843 -4.503 1.00 8.17 N ATOM 0 H HIS A 24 22.201 12.922 -4.609 1.00 5.15 H new ATOM 0 HA HIS A 24 21.914 14.964 -2.583 1.00 5.44 H new ATOM 0 HB2 HIS A 24 21.841 14.919 -5.604 1.00 6.29 H new ATOM 0 HB3 HIS A 24 21.429 16.360 -4.695 1.00 6.29 H new ATOM 0 HD2 HIS A 24 24.598 13.960 -4.867 1.00 7.35 H new ATOM 0 HE1 HIS A 24 25.858 17.937 -4.116 1.00 8.27 H new ATOM 0 HE2 HIS A 24 26.636 15.550 -4.537 1.00 8.17 H new ATOM 406 N PHE A 25 19.370 13.754 -4.246 1.00 4.48 N ATOM 407 CA PHE A 25 17.928 13.603 -4.246 1.00 4.32 C ATOM 408 C PHE A 25 17.574 12.303 -3.544 1.00 3.71 C ATOM 409 O PHE A 25 18.461 11.507 -3.230 1.00 3.95 O ATOM 410 CB PHE A 25 17.395 13.592 -5.680 1.00 4.90 C ATOM 411 CG PHE A 25 17.764 14.816 -6.470 1.00 5.62 C ATOM 412 CD1 PHE A 25 17.112 16.019 -6.254 1.00 6.16 C ATOM 413 CD2 PHE A 25 18.763 14.762 -7.429 1.00 6.16 C ATOM 414 CE1 PHE A 25 17.448 17.145 -6.980 1.00 7.08 C ATOM 415 CE2 PHE A 25 19.103 15.884 -8.157 1.00 7.09 C ATOM 416 CZ PHE A 25 18.446 17.078 -7.933 1.00 7.50 C ATOM 0 H PHE A 25 19.854 13.143 -4.904 1.00 4.48 H new ATOM 0 HA PHE A 25 17.471 14.442 -3.721 1.00 4.32 H new ATOM 0 HB2 PHE A 25 17.777 12.710 -6.194 1.00 4.90 H new ATOM 0 HB3 PHE A 25 16.309 13.501 -5.654 1.00 4.90 H new ATOM 0 HD1 PHE A 25 16.332 16.077 -5.509 1.00 6.16 H new ATOM 0 HD2 PHE A 25 19.281 13.832 -7.609 1.00 6.16 H new ATOM 0 HE1 PHE A 25 16.931 18.077 -6.803 1.00 7.08 H new ATOM 0 HE2 PHE A 25 19.883 15.828 -8.902 1.00 7.09 H new ATOM 0 HZ PHE A 25 18.712 17.957 -8.501 1.00 7.50 H new ATOM 426 N ASP A 26 16.292 12.087 -3.290 1.00 3.49 N ATOM 427 CA ASP A 26 15.849 10.864 -2.628 1.00 3.48 C ATOM 428 C ASP A 26 15.874 9.697 -3.603 1.00 3.05 C ATOM 429 O ASP A 26 14.831 9.244 -4.073 1.00 3.62 O ATOM 430 CB ASP A 26 14.448 11.020 -2.030 1.00 4.39 C ATOM 431 CG ASP A 26 14.411 11.988 -0.866 1.00 5.09 C ATOM 432 OD1 ASP A 26 14.951 11.655 0.210 1.00 5.48 O ATOM 433 OD2 ASP A 26 13.833 13.086 -1.020 1.00 5.62 O ATOM 0 H ASP A 26 15.543 12.736 -3.529 1.00 3.49 H new ATOM 0 HA ASP A 26 16.541 10.663 -1.810 1.00 3.48 H new ATOM 0 HB2 ASP A 26 13.763 11.365 -2.805 1.00 4.39 H new ATOM 0 HB3 ASP A 26 14.089 10.046 -1.698 1.00 4.39 H new ATOM 438 N THR A 27 17.079 9.239 -3.914 1.00 2.55 N ATOM 439 CA THR A 27 17.277 8.118 -4.815 1.00 2.52 C ATOM 440 C THR A 27 16.728 6.835 -4.203 1.00 1.71 C ATOM 441 O THR A 27 15.890 6.165 -4.806 1.00 2.29 O ATOM 442 CB THR A 27 18.774 7.946 -5.150 1.00 3.34 C ATOM 443 OG1 THR A 27 19.554 7.975 -3.945 1.00 3.84 O ATOM 444 CG2 THR A 27 19.249 9.049 -6.084 1.00 3.94 C ATOM 0 H THR A 27 17.944 9.636 -3.548 1.00 2.55 H new ATOM 0 HA THR A 27 16.735 8.326 -5.738 1.00 2.52 H new ATOM 0 HB THR A 27 18.902 6.984 -5.647 1.00 3.34 H new ATOM 0 HG1 THR A 27 20.502 7.864 -4.166 1.00 3.84 H new ATOM 0 HG21 THR A 27 20.307 8.907 -6.306 1.00 3.94 H new ATOM 0 HG22 THR A 27 18.676 9.013 -7.010 1.00 3.94 H new ATOM 0 HG23 THR A 27 19.105 10.018 -5.606 1.00 3.94 H new ATOM 452 N LEU A 28 17.207 6.521 -2.998 1.00 1.14 N ATOM 453 CA LEU A 28 16.717 5.382 -2.224 1.00 0.90 C ATOM 454 C LEU A 28 16.772 4.104 -3.055 1.00 0.71 C ATOM 455 O LEU A 28 15.752 3.576 -3.502 1.00 0.76 O ATOM 456 CB LEU A 28 15.298 5.663 -1.726 1.00 1.66 C ATOM 457 CG LEU A 28 15.142 6.982 -0.960 1.00 2.02 C ATOM 458 CD1 LEU A 28 13.690 7.219 -0.583 1.00 2.91 C ATOM 459 CD2 LEU A 28 16.020 6.990 0.281 1.00 2.37 C ATOM 0 H LEU A 28 17.945 7.049 -2.533 1.00 1.14 H new ATOM 0 HA LEU A 28 17.361 5.237 -1.357 1.00 0.90 H new ATOM 0 HB2 LEU A 28 14.622 5.672 -2.581 1.00 1.66 H new ATOM 0 HB3 LEU A 28 14.984 4.843 -1.080 1.00 1.66 H new ATOM 0 HG LEU A 28 15.463 7.792 -1.615 1.00 2.02 H new ATOM 0 HD11 LEU A 28 13.604 8.160 -0.040 1.00 2.91 H new ATOM 0 HD12 LEU A 28 13.082 7.264 -1.487 1.00 2.91 H new ATOM 0 HD13 LEU A 28 13.340 6.403 0.049 1.00 2.91 H new ATOM 0 HD21 LEU A 28 15.894 7.935 0.810 1.00 2.37 H new ATOM 0 HD22 LEU A 28 15.733 6.167 0.935 1.00 2.37 H new ATOM 0 HD23 LEU A 28 17.064 6.874 -0.011 1.00 2.37 H new ATOM 471 N SER A 29 17.983 3.623 -3.265 1.00 0.61 N ATOM 472 CA SER A 29 18.219 2.480 -4.123 1.00 0.49 C ATOM 473 C SER A 29 17.932 1.156 -3.410 1.00 0.44 C ATOM 474 O SER A 29 17.415 1.140 -2.289 1.00 0.53 O ATOM 475 CB SER A 29 19.653 2.518 -4.641 1.00 0.55 C ATOM 476 OG SER A 29 19.916 3.737 -5.313 1.00 1.35 O ATOM 0 H SER A 29 18.828 4.013 -2.847 1.00 0.61 H new ATOM 0 HA SER A 29 17.528 2.540 -4.964 1.00 0.49 H new ATOM 0 HB2 SER A 29 20.348 2.400 -3.809 1.00 0.55 H new ATOM 0 HB3 SER A 29 19.821 1.681 -5.319 1.00 0.55 H new ATOM 0 HG SER A 29 19.432 3.752 -6.165 1.00 1.35 H new ATOM 482 N LYS A 30 18.281 0.051 -4.058 1.00 0.38 N ATOM 483 CA LYS A 30 17.942 -1.280 -3.565 1.00 0.36 C ATOM 484 C LYS A 30 18.586 -1.563 -2.207 1.00 0.36 C ATOM 485 O LYS A 30 18.092 -2.389 -1.449 1.00 0.37 O ATOM 486 CB LYS A 30 18.363 -2.325 -4.603 1.00 0.39 C ATOM 487 CG LYS A 30 17.870 -3.740 -4.324 1.00 0.41 C ATOM 488 CD LYS A 30 17.848 -4.574 -5.604 1.00 0.50 C ATOM 489 CE LYS A 30 19.136 -4.413 -6.402 1.00 0.52 C ATOM 490 NZ LYS A 30 19.001 -4.864 -7.816 1.00 1.32 N ATOM 0 H LYS A 30 18.803 0.051 -4.934 1.00 0.38 H new ATOM 0 HA LYS A 30 16.863 -1.332 -3.417 1.00 0.36 H new ATOM 0 HB2 LYS A 30 17.995 -2.014 -5.581 1.00 0.39 H new ATOM 0 HB3 LYS A 30 19.451 -2.340 -4.662 1.00 0.39 H new ATOM 0 HG2 LYS A 30 18.517 -4.216 -3.587 1.00 0.41 H new ATOM 0 HG3 LYS A 30 16.870 -3.702 -3.893 1.00 0.41 H new ATOM 0 HD2 LYS A 30 17.705 -5.625 -5.352 1.00 0.50 H new ATOM 0 HD3 LYS A 30 16.999 -4.275 -6.219 1.00 0.50 H new ATOM 0 HE2 LYS A 30 19.439 -3.366 -6.387 1.00 0.52 H new ATOM 0 HE3 LYS A 30 19.931 -4.981 -5.919 1.00 0.52 H new ATOM 0 HZ1 LYS A 30 19.844 -4.578 -8.354 1.00 1.32 H new ATOM 0 HZ2 LYS A 30 18.908 -5.899 -7.843 1.00 1.32 H new ATOM 0 HZ3 LYS A 30 18.157 -4.429 -8.240 1.00 1.32 H new ATOM 504 N GLY A 31 19.672 -0.862 -1.896 1.00 0.39 N ATOM 505 CA GLY A 31 20.332 -1.039 -0.611 1.00 0.40 C ATOM 506 C GLY A 31 19.412 -0.761 0.561 1.00 0.38 C ATOM 507 O GLY A 31 19.321 -1.559 1.498 1.00 0.39 O ATOM 0 H GLY A 31 20.108 -0.174 -2.510 1.00 0.39 H new ATOM 0 HA2 GLY A 31 20.709 -2.059 -0.538 1.00 0.40 H new ATOM 0 HA3 GLY A 31 21.195 -0.376 -0.556 1.00 0.40 H new ATOM 511 N GLU A 32 18.726 0.370 0.507 1.00 0.44 N ATOM 512 CA GLU A 32 17.824 0.771 1.578 1.00 0.50 C ATOM 513 C GLU A 32 16.594 -0.124 1.609 1.00 0.42 C ATOM 514 O GLU A 32 16.112 -0.506 2.679 1.00 0.44 O ATOM 515 CB GLU A 32 17.395 2.222 1.393 1.00 0.67 C ATOM 516 CG GLU A 32 18.544 3.221 1.456 1.00 0.96 C ATOM 517 CD GLU A 32 19.258 3.229 2.796 1.00 1.58 C ATOM 518 OE1 GLU A 32 20.160 2.387 2.997 1.00 2.44 O ATOM 519 OE2 GLU A 32 18.936 4.086 3.647 1.00 2.10 O ATOM 0 H GLU A 32 18.776 1.029 -0.270 1.00 0.44 H new ATOM 0 HA GLU A 32 18.356 0.671 2.524 1.00 0.50 H new ATOM 0 HB2 GLU A 32 16.893 2.322 0.431 1.00 0.67 H new ATOM 0 HB3 GLU A 32 16.665 2.475 2.162 1.00 0.67 H new ATOM 0 HG2 GLU A 32 19.263 2.988 0.670 1.00 0.96 H new ATOM 0 HG3 GLU A 32 18.160 4.220 1.251 1.00 0.96 H new ATOM 526 N LEU A 33 16.099 -0.462 0.426 1.00 0.38 N ATOM 527 CA LEU A 33 14.922 -1.299 0.296 1.00 0.34 C ATOM 528 C LEU A 33 15.198 -2.684 0.859 1.00 0.29 C ATOM 529 O LEU A 33 14.439 -3.185 1.676 1.00 0.32 O ATOM 530 CB LEU A 33 14.516 -1.400 -1.170 1.00 0.34 C ATOM 531 CG LEU A 33 13.130 -1.996 -1.418 1.00 0.39 C ATOM 532 CD1 LEU A 33 12.051 -1.105 -0.821 1.00 0.52 C ATOM 533 CD2 LEU A 33 12.890 -2.196 -2.904 1.00 0.46 C ATOM 0 H LEU A 33 16.501 -0.164 -0.463 1.00 0.38 H new ATOM 0 HA LEU A 33 14.105 -0.849 0.860 1.00 0.34 H new ATOM 0 HB2 LEU A 33 14.550 -0.403 -1.610 1.00 0.34 H new ATOM 0 HB3 LEU A 33 15.255 -2.006 -1.695 1.00 0.34 H new ATOM 0 HG LEU A 33 13.085 -2.969 -0.929 1.00 0.39 H new ATOM 0 HD11 LEU A 33 11.071 -1.545 -1.007 1.00 0.52 H new ATOM 0 HD12 LEU A 33 12.209 -1.013 0.254 1.00 0.52 H new ATOM 0 HD13 LEU A 33 12.099 -0.118 -1.281 1.00 0.52 H new ATOM 0 HD21 LEU A 33 11.898 -2.621 -3.058 1.00 0.46 H new ATOM 0 HD22 LEU A 33 12.957 -1.236 -3.416 1.00 0.46 H new ATOM 0 HD23 LEU A 33 13.642 -2.875 -3.306 1.00 0.46 H new ATOM 545 N LYS A 34 16.306 -3.275 0.425 1.00 0.29 N ATOM 546 CA LYS A 34 16.742 -4.587 0.900 1.00 0.31 C ATOM 547 C LYS A 34 16.769 -4.627 2.425 1.00 0.35 C ATOM 548 O LYS A 34 16.301 -5.589 3.035 1.00 0.41 O ATOM 549 CB LYS A 34 18.127 -4.906 0.309 1.00 0.34 C ATOM 550 CG LYS A 34 19.026 -5.775 1.190 1.00 0.53 C ATOM 551 CD LYS A 34 18.570 -7.223 1.246 1.00 0.85 C ATOM 552 CE LYS A 34 19.406 -8.035 2.223 1.00 1.30 C ATOM 553 NZ LYS A 34 19.001 -9.467 2.248 1.00 1.87 N ATOM 0 H LYS A 34 16.929 -2.859 -0.267 1.00 0.29 H new ATOM 0 HA LYS A 34 16.034 -5.346 0.568 1.00 0.31 H new ATOM 0 HB2 LYS A 34 17.989 -5.408 -0.649 1.00 0.34 H new ATOM 0 HB3 LYS A 34 18.643 -3.967 0.105 1.00 0.34 H new ATOM 0 HG2 LYS A 34 20.047 -5.735 0.811 1.00 0.53 H new ATOM 0 HG3 LYS A 34 19.044 -5.365 2.200 1.00 0.53 H new ATOM 0 HD2 LYS A 34 17.522 -7.264 1.542 1.00 0.85 H new ATOM 0 HD3 LYS A 34 18.638 -7.665 0.252 1.00 0.85 H new ATOM 0 HE2 LYS A 34 20.458 -7.961 1.949 1.00 1.30 H new ATOM 0 HE3 LYS A 34 19.307 -7.613 3.223 1.00 1.30 H new ATOM 0 HZ1 LYS A 34 19.596 -9.984 2.927 1.00 1.87 H new ATOM 0 HZ2 LYS A 34 18.004 -9.541 2.535 1.00 1.87 H new ATOM 0 HZ3 LYS A 34 19.120 -9.878 1.300 1.00 1.87 H new ATOM 567 N GLN A 35 17.296 -3.568 3.025 1.00 0.35 N ATOM 568 CA GLN A 35 17.350 -3.451 4.470 1.00 0.43 C ATOM 569 C GLN A 35 15.944 -3.494 5.064 1.00 0.43 C ATOM 570 O GLN A 35 15.633 -4.385 5.852 1.00 0.50 O ATOM 571 CB GLN A 35 18.080 -2.161 4.849 1.00 0.50 C ATOM 572 CG GLN A 35 18.019 -1.824 6.323 1.00 1.07 C ATOM 573 CD GLN A 35 18.981 -0.714 6.702 1.00 1.68 C ATOM 574 OE1 GLN A 35 20.118 -0.970 7.095 1.00 2.46 O ATOM 575 NE2 GLN A 35 18.541 0.526 6.573 1.00 2.07 N ATOM 0 H GLN A 35 17.694 -2.773 2.525 1.00 0.35 H new ATOM 0 HA GLN A 35 17.903 -4.295 4.883 1.00 0.43 H new ATOM 0 HB2 GLN A 35 19.125 -2.247 4.550 1.00 0.50 H new ATOM 0 HB3 GLN A 35 17.653 -1.335 4.281 1.00 0.50 H new ATOM 0 HG2 GLN A 35 17.003 -1.526 6.583 1.00 1.07 H new ATOM 0 HG3 GLN A 35 18.249 -2.715 6.907 1.00 1.07 H new ATOM 0 HE21 GLN A 35 17.591 0.698 6.244 1.00 2.07 H new ATOM 0 HE22 GLN A 35 19.151 1.310 6.803 1.00 2.07 H new ATOM 584 N LEU A 36 15.092 -2.561 4.647 1.00 0.38 N ATOM 585 CA LEU A 36 13.722 -2.483 5.140 1.00 0.39 C ATOM 586 C LEU A 36 13.005 -3.815 4.954 1.00 0.38 C ATOM 587 O LEU A 36 12.359 -4.314 5.863 1.00 0.45 O ATOM 588 CB LEU A 36 12.980 -1.356 4.405 1.00 0.36 C ATOM 589 CG LEU A 36 11.507 -1.150 4.775 1.00 0.40 C ATOM 590 CD1 LEU A 36 11.103 0.292 4.530 1.00 0.45 C ATOM 591 CD2 LEU A 36 10.614 -2.068 3.960 1.00 0.40 C ATOM 0 H LEU A 36 15.330 -1.843 3.963 1.00 0.38 H new ATOM 0 HA LEU A 36 13.738 -2.262 6.207 1.00 0.39 H new ATOM 0 HB2 LEU A 36 13.511 -0.422 4.588 1.00 0.36 H new ATOM 0 HB3 LEU A 36 13.038 -1.551 3.334 1.00 0.36 H new ATOM 0 HG LEU A 36 11.387 -1.388 5.832 1.00 0.40 H new ATOM 0 HD11 LEU A 36 10.055 0.426 4.796 1.00 0.45 H new ATOM 0 HD12 LEU A 36 11.720 0.951 5.140 1.00 0.45 H new ATOM 0 HD13 LEU A 36 11.244 0.535 3.477 1.00 0.45 H new ATOM 0 HD21 LEU A 36 9.573 -1.905 4.239 1.00 0.40 H new ATOM 0 HD22 LEU A 36 10.743 -1.854 2.899 1.00 0.40 H new ATOM 0 HD23 LEU A 36 10.884 -3.106 4.156 1.00 0.40 H new ATOM 603 N LEU A 37 13.153 -4.389 3.780 1.00 0.34 N ATOM 604 CA LEU A 37 12.443 -5.603 3.413 1.00 0.35 C ATOM 605 C LEU A 37 12.817 -6.790 4.294 1.00 0.41 C ATOM 606 O LEU A 37 11.939 -7.460 4.836 1.00 0.45 O ATOM 607 CB LEU A 37 12.723 -5.927 1.953 1.00 0.34 C ATOM 608 CG LEU A 37 12.190 -4.899 0.955 1.00 0.30 C ATOM 609 CD1 LEU A 37 12.603 -5.259 -0.460 1.00 0.38 C ATOM 610 CD2 LEU A 37 10.679 -4.787 1.064 1.00 0.32 C ATOM 0 H LEU A 37 13.768 -4.030 3.050 1.00 0.34 H new ATOM 0 HA LEU A 37 11.379 -5.422 3.563 1.00 0.35 H new ATOM 0 HB2 LEU A 37 13.800 -6.021 1.816 1.00 0.34 H new ATOM 0 HB3 LEU A 37 12.287 -6.898 1.721 1.00 0.34 H new ATOM 0 HG LEU A 37 12.624 -3.929 1.196 1.00 0.30 H new ATOM 0 HD11 LEU A 37 12.213 -4.514 -1.154 1.00 0.38 H new ATOM 0 HD12 LEU A 37 13.691 -5.283 -0.527 1.00 0.38 H new ATOM 0 HD13 LEU A 37 12.202 -6.239 -0.718 1.00 0.38 H new ATOM 0 HD21 LEU A 37 10.316 -4.051 0.347 1.00 0.32 H new ATOM 0 HD22 LEU A 37 10.226 -5.755 0.851 1.00 0.32 H new ATOM 0 HD23 LEU A 37 10.409 -4.474 2.073 1.00 0.32 H new ATOM 622 N THR A 38 14.109 -7.042 4.448 1.00 0.45 N ATOM 623 CA THR A 38 14.566 -8.218 5.173 1.00 0.53 C ATOM 624 C THR A 38 14.232 -8.124 6.662 1.00 0.59 C ATOM 625 O THR A 38 14.070 -9.146 7.332 1.00 0.66 O ATOM 626 CB THR A 38 16.088 -8.451 4.985 1.00 0.55 C ATOM 627 OG1 THR A 38 16.495 -9.668 5.615 1.00 1.23 O ATOM 628 CG2 THR A 38 16.910 -7.300 5.549 1.00 1.03 C ATOM 0 H THR A 38 14.856 -6.451 4.083 1.00 0.45 H new ATOM 0 HA THR A 38 14.034 -9.071 4.753 1.00 0.53 H new ATOM 0 HB THR A 38 16.268 -8.514 3.912 1.00 0.55 H new ATOM 0 HG1 THR A 38 17.467 -9.766 5.539 1.00 1.23 H new ATOM 0 HG21 THR A 38 17.970 -7.502 5.398 1.00 1.03 H new ATOM 0 HG22 THR A 38 16.640 -6.376 5.038 1.00 1.03 H new ATOM 0 HG23 THR A 38 16.709 -7.198 6.615 1.00 1.03 H new ATOM 636 N LYS A 39 14.138 -6.909 7.188 1.00 0.58 N ATOM 637 CA LYS A 39 13.873 -6.743 8.608 1.00 0.66 C ATOM 638 C LYS A 39 12.397 -6.490 8.920 1.00 0.64 C ATOM 639 O LYS A 39 11.920 -6.877 9.984 1.00 0.72 O ATOM 640 CB LYS A 39 14.751 -5.648 9.199 1.00 0.72 C ATOM 641 CG LYS A 39 14.520 -4.266 8.618 1.00 0.68 C ATOM 642 CD LYS A 39 15.787 -3.418 8.681 1.00 0.73 C ATOM 643 CE LYS A 39 16.360 -3.359 10.089 1.00 0.87 C ATOM 644 NZ LYS A 39 17.675 -2.668 10.124 1.00 1.61 N ATOM 0 H LYS A 39 14.239 -6.040 6.663 1.00 0.58 H new ATOM 0 HA LYS A 39 14.127 -7.691 9.082 1.00 0.66 H new ATOM 0 HB2 LYS A 39 14.582 -5.607 10.275 1.00 0.72 H new ATOM 0 HB3 LYS A 39 15.796 -5.920 9.050 1.00 0.72 H new ATOM 0 HG2 LYS A 39 14.191 -4.355 7.583 1.00 0.68 H new ATOM 0 HG3 LYS A 39 13.719 -3.768 9.165 1.00 0.68 H new ATOM 0 HD2 LYS A 39 16.534 -3.830 8.002 1.00 0.73 H new ATOM 0 HD3 LYS A 39 15.565 -2.408 8.336 1.00 0.73 H new ATOM 0 HE2 LYS A 39 15.660 -2.841 10.744 1.00 0.87 H new ATOM 0 HE3 LYS A 39 16.471 -4.371 10.478 1.00 0.87 H new ATOM 0 HZ1 LYS A 39 18.031 -2.649 11.101 1.00 1.61 H new ATOM 0 HZ2 LYS A 39 18.351 -3.177 9.519 1.00 1.61 H new ATOM 0 HZ3 LYS A 39 17.565 -1.694 9.777 1.00 1.61 H new ATOM 658 N GLU A 40 11.674 -5.855 8.007 1.00 0.57 N ATOM 659 CA GLU A 40 10.276 -5.514 8.259 1.00 0.58 C ATOM 660 C GLU A 40 9.346 -6.552 7.647 1.00 0.56 C ATOM 661 O GLU A 40 8.478 -7.107 8.315 1.00 0.64 O ATOM 662 CB GLU A 40 9.959 -4.134 7.663 1.00 0.58 C ATOM 663 CG GLU A 40 10.444 -2.961 8.497 1.00 0.87 C ATOM 664 CD GLU A 40 9.518 -2.633 9.657 1.00 1.14 C ATOM 665 OE1 GLU A 40 8.338 -2.294 9.404 1.00 1.63 O ATOM 666 OE2 GLU A 40 9.964 -2.703 10.824 1.00 1.67 O ATOM 0 H GLU A 40 12.026 -5.567 7.094 1.00 0.57 H new ATOM 0 HA GLU A 40 10.120 -5.495 9.338 1.00 0.58 H new ATOM 0 HB2 GLU A 40 10.408 -4.069 6.672 1.00 0.58 H new ATOM 0 HB3 GLU A 40 8.880 -4.048 7.531 1.00 0.58 H new ATOM 0 HG2 GLU A 40 11.438 -3.185 8.885 1.00 0.87 H new ATOM 0 HG3 GLU A 40 10.541 -2.084 7.858 1.00 0.87 H new ATOM 673 N LEU A 41 9.583 -6.862 6.389 1.00 0.50 N ATOM 674 CA LEU A 41 8.677 -7.714 5.630 1.00 0.49 C ATOM 675 C LEU A 41 9.139 -9.163 5.645 1.00 0.52 C ATOM 676 O LEU A 41 8.697 -9.970 4.823 1.00 0.53 O ATOM 677 CB LEU A 41 8.558 -7.216 4.183 1.00 0.43 C ATOM 678 CG LEU A 41 7.752 -5.926 3.985 1.00 0.51 C ATOM 679 CD1 LEU A 41 8.442 -4.728 4.609 1.00 1.22 C ATOM 680 CD2 LEU A 41 7.513 -5.675 2.509 1.00 1.42 C ATOM 0 H LEU A 41 10.396 -6.538 5.865 1.00 0.50 H new ATOM 0 HA LEU A 41 7.698 -7.664 6.106 1.00 0.49 H new ATOM 0 HB2 LEU A 41 9.562 -7.059 3.789 1.00 0.43 H new ATOM 0 HB3 LEU A 41 8.100 -8.003 3.584 1.00 0.43 H new ATOM 0 HG LEU A 41 6.795 -6.059 4.489 1.00 0.51 H new ATOM 0 HD11 LEU A 41 7.839 -3.835 4.446 1.00 1.22 H new ATOM 0 HD12 LEU A 41 8.563 -4.894 5.679 1.00 1.22 H new ATOM 0 HD13 LEU A 41 9.421 -4.592 4.150 1.00 1.22 H new ATOM 0 HD21 LEU A 41 6.940 -4.756 2.384 1.00 1.42 H new ATOM 0 HD22 LEU A 41 8.470 -5.578 1.997 1.00 1.42 H new ATOM 0 HD23 LEU A 41 6.957 -6.510 2.083 1.00 1.42 H new ATOM 692 N ALA A 42 10.003 -9.488 6.607 1.00 0.58 N ATOM 693 CA ALA A 42 10.617 -10.814 6.707 1.00 0.64 C ATOM 694 C ALA A 42 9.595 -11.956 6.727 1.00 0.71 C ATOM 695 O ALA A 42 9.911 -13.081 6.332 1.00 0.78 O ATOM 696 CB ALA A 42 11.492 -10.883 7.948 1.00 0.71 C ATOM 0 H ALA A 42 10.297 -8.841 7.338 1.00 0.58 H new ATOM 0 HA ALA A 42 11.219 -10.949 5.809 1.00 0.64 H new ATOM 0 HB1 ALA A 42 11.947 -11.871 8.018 1.00 0.71 H new ATOM 0 HB2 ALA A 42 12.275 -10.127 7.884 1.00 0.71 H new ATOM 0 HB3 ALA A 42 10.883 -10.700 8.833 1.00 0.71 H new ATOM 702 N ASN A 43 8.379 -11.676 7.173 1.00 0.74 N ATOM 703 CA ASN A 43 7.378 -12.723 7.344 1.00 0.83 C ATOM 704 C ASN A 43 6.263 -12.616 6.300 1.00 0.83 C ATOM 705 O ASN A 43 5.387 -13.479 6.222 1.00 1.07 O ATOM 706 CB ASN A 43 6.798 -12.650 8.767 1.00 0.99 C ATOM 707 CG ASN A 43 5.839 -13.785 9.095 1.00 1.28 C ATOM 708 OD1 ASN A 43 6.257 -14.868 9.507 1.00 1.56 O ATOM 709 ND2 ASN A 43 4.547 -13.539 8.949 1.00 2.16 N ATOM 0 H ASN A 43 8.061 -10.739 7.422 1.00 0.74 H new ATOM 0 HA ASN A 43 7.862 -13.689 7.198 1.00 0.83 H new ATOM 0 HB2 ASN A 43 7.618 -12.660 9.485 1.00 0.99 H new ATOM 0 HB3 ASN A 43 6.278 -11.700 8.890 1.00 0.99 H new ATOM 0 HD21 ASN A 43 3.862 -14.258 9.180 1.00 2.16 H new ATOM 0 HD22 ASN A 43 4.237 -12.630 8.605 1.00 2.16 H new ATOM 716 N THR A 44 6.318 -11.598 5.455 1.00 0.65 N ATOM 717 CA THR A 44 5.201 -11.309 4.574 1.00 0.61 C ATOM 718 C THR A 44 5.483 -11.788 3.160 1.00 0.59 C ATOM 719 O THR A 44 4.794 -12.662 2.631 1.00 0.66 O ATOM 720 CB THR A 44 4.904 -9.801 4.541 1.00 0.56 C ATOM 721 OG1 THR A 44 4.946 -9.275 5.870 1.00 0.65 O ATOM 722 CG2 THR A 44 3.536 -9.536 3.936 1.00 0.53 C ATOM 0 H THR A 44 7.114 -10.967 5.362 1.00 0.65 H new ATOM 0 HA THR A 44 4.334 -11.840 4.967 1.00 0.61 H new ATOM 0 HB THR A 44 5.659 -9.312 3.925 1.00 0.56 H new ATOM 0 HG1 THR A 44 4.102 -9.472 6.327 1.00 0.65 H new ATOM 0 HG21 THR A 44 3.346 -8.463 3.922 1.00 0.53 H new ATOM 0 HG22 THR A 44 3.508 -9.923 2.917 1.00 0.53 H new ATOM 0 HG23 THR A 44 2.771 -10.032 4.534 1.00 0.53 H new ATOM 730 N ILE A 45 6.510 -11.218 2.562 1.00 0.52 N ATOM 731 CA ILE A 45 6.866 -11.531 1.195 1.00 0.52 C ATOM 732 C ILE A 45 7.689 -12.812 1.146 1.00 0.59 C ATOM 733 O ILE A 45 8.556 -13.031 1.996 1.00 0.60 O ATOM 734 CB ILE A 45 7.652 -10.367 0.566 1.00 0.43 C ATOM 735 CG1 ILE A 45 6.806 -9.087 0.569 1.00 0.39 C ATOM 736 CG2 ILE A 45 8.088 -10.721 -0.850 1.00 0.47 C ATOM 737 CD1 ILE A 45 7.477 -7.915 -0.117 1.00 0.36 C ATOM 0 H ILE A 45 7.117 -10.530 3.007 1.00 0.52 H new ATOM 0 HA ILE A 45 5.951 -11.681 0.622 1.00 0.52 H new ATOM 0 HB ILE A 45 8.546 -10.189 1.164 1.00 0.43 H new ATOM 0 HG12 ILE A 45 5.855 -9.289 0.077 1.00 0.39 H new ATOM 0 HG13 ILE A 45 6.580 -8.813 1.600 1.00 0.39 H new ATOM 0 HG21 ILE A 45 8.642 -9.886 -1.279 1.00 0.47 H new ATOM 0 HG22 ILE A 45 8.725 -11.605 -0.824 1.00 0.47 H new ATOM 0 HG23 ILE A 45 7.209 -10.925 -1.461 1.00 0.47 H new ATOM 0 HD11 ILE A 45 6.821 -7.045 -0.076 1.00 0.36 H new ATOM 0 HD12 ILE A 45 8.415 -7.686 0.389 1.00 0.36 H new ATOM 0 HD13 ILE A 45 7.678 -8.169 -1.158 1.00 0.36 H new ATOM 749 N LYS A 46 7.393 -13.665 0.163 1.00 0.67 N ATOM 750 CA LYS A 46 8.074 -14.943 0.029 1.00 0.73 C ATOM 751 C LYS A 46 9.571 -14.721 -0.106 1.00 0.68 C ATOM 752 O LYS A 46 10.016 -13.979 -0.981 1.00 0.63 O ATOM 753 CB LYS A 46 7.518 -15.754 -1.170 1.00 0.82 C ATOM 754 CG LYS A 46 8.178 -15.486 -2.529 1.00 0.79 C ATOM 755 CD LYS A 46 9.406 -16.370 -2.742 1.00 0.75 C ATOM 756 CE LYS A 46 10.050 -16.138 -4.101 1.00 0.88 C ATOM 757 NZ LYS A 46 9.252 -16.720 -5.210 1.00 1.61 N ATOM 0 H LYS A 46 6.685 -13.489 -0.550 1.00 0.67 H new ATOM 0 HA LYS A 46 7.889 -15.530 0.929 1.00 0.73 H new ATOM 0 HB2 LYS A 46 7.619 -16.815 -0.943 1.00 0.82 H new ATOM 0 HB3 LYS A 46 6.452 -15.547 -1.259 1.00 0.82 H new ATOM 0 HG2 LYS A 46 7.457 -15.666 -3.326 1.00 0.79 H new ATOM 0 HG3 LYS A 46 8.468 -14.437 -2.593 1.00 0.79 H new ATOM 0 HD2 LYS A 46 10.136 -16.171 -1.957 1.00 0.75 H new ATOM 0 HD3 LYS A 46 9.118 -17.417 -2.652 1.00 0.75 H new ATOM 0 HE2 LYS A 46 10.170 -15.067 -4.266 1.00 0.88 H new ATOM 0 HE3 LYS A 46 11.049 -16.575 -4.107 1.00 0.88 H new ATOM 0 HZ1 LYS A 46 9.645 -16.409 -6.121 1.00 1.61 H new ATOM 0 HZ2 LYS A 46 9.286 -17.758 -5.155 1.00 1.61 H new ATOM 0 HZ3 LYS A 46 8.265 -16.401 -5.132 1.00 1.61 H new ATOM 771 N ASN A 47 10.327 -15.335 0.798 1.00 0.71 N ATOM 772 CA ASN A 47 11.786 -15.283 0.768 1.00 0.67 C ATOM 773 C ASN A 47 12.294 -13.869 0.548 1.00 0.59 C ATOM 774 O ASN A 47 13.219 -13.647 -0.228 1.00 0.57 O ATOM 775 CB ASN A 47 12.332 -16.193 -0.326 1.00 0.69 C ATOM 776 CG ASN A 47 12.191 -17.663 0.006 1.00 0.92 C ATOM 777 OD1 ASN A 47 11.152 -18.274 -0.245 1.00 1.48 O ATOM 778 ND2 ASN A 47 13.246 -18.245 0.550 1.00 1.24 N ATOM 0 H ASN A 47 9.948 -15.882 1.571 1.00 0.71 H new ATOM 0 HA ASN A 47 12.140 -15.627 1.740 1.00 0.67 H new ATOM 0 HB2 ASN A 47 11.809 -15.985 -1.259 1.00 0.69 H new ATOM 0 HB3 ASN A 47 13.384 -15.962 -0.492 1.00 0.69 H new ATOM 0 HD21 ASN A 47 13.219 -19.239 0.779 1.00 1.24 H new ATOM 0 HD22 ASN A 47 14.087 -17.700 0.741 1.00 1.24 H new ATOM 785 N ILE A 48 11.692 -12.915 1.246 1.00 0.55 N ATOM 786 CA ILE A 48 12.070 -11.507 1.130 1.00 0.48 C ATOM 787 C ILE A 48 13.520 -11.295 1.576 1.00 0.48 C ATOM 788 O ILE A 48 14.073 -10.202 1.489 1.00 0.43 O ATOM 789 CB ILE A 48 11.135 -10.625 1.980 1.00 0.46 C ATOM 790 CG1 ILE A 48 11.349 -9.141 1.676 1.00 0.40 C ATOM 791 CG2 ILE A 48 11.359 -10.897 3.456 1.00 0.52 C ATOM 792 CD1 ILE A 48 11.112 -8.779 0.228 1.00 0.38 C ATOM 0 H ILE A 48 10.933 -13.090 1.905 1.00 0.55 H new ATOM 0 HA ILE A 48 11.978 -11.221 0.082 1.00 0.48 H new ATOM 0 HB ILE A 48 10.106 -10.876 1.724 1.00 0.46 H new ATOM 0 HG12 ILE A 48 10.681 -8.550 2.303 1.00 0.40 H new ATOM 0 HG13 ILE A 48 12.368 -8.866 1.948 1.00 0.40 H new ATOM 0 HG21 ILE A 48 10.693 -10.268 4.047 1.00 0.52 H new ATOM 0 HG22 ILE A 48 11.151 -11.946 3.668 1.00 0.52 H new ATOM 0 HG23 ILE A 48 12.394 -10.673 3.714 1.00 0.52 H new ATOM 0 HD11 ILE A 48 11.282 -7.712 0.087 1.00 0.38 H new ATOM 0 HD12 ILE A 48 11.798 -9.342 -0.405 1.00 0.38 H new ATOM 0 HD13 ILE A 48 10.085 -9.022 -0.044 1.00 0.38 H new ATOM 804 N LYS A 49 14.122 -12.358 2.060 1.00 0.56 N ATOM 805 CA LYS A 49 15.496 -12.333 2.506 1.00 0.57 C ATOM 806 C LYS A 49 16.421 -12.455 1.310 1.00 0.55 C ATOM 807 O LYS A 49 17.570 -12.008 1.338 1.00 0.56 O ATOM 808 CB LYS A 49 15.731 -13.486 3.469 1.00 0.65 C ATOM 809 CG LYS A 49 14.620 -13.628 4.491 1.00 0.73 C ATOM 810 CD LYS A 49 14.420 -12.349 5.297 1.00 0.72 C ATOM 811 CE LYS A 49 15.316 -12.278 6.530 1.00 0.82 C ATOM 812 NZ LYS A 49 16.759 -12.448 6.212 1.00 1.11 N ATOM 0 H LYS A 49 13.670 -13.268 2.156 1.00 0.56 H new ATOM 0 HA LYS A 49 15.701 -11.392 3.016 1.00 0.57 H new ATOM 0 HB2 LYS A 49 15.821 -14.414 2.904 1.00 0.65 H new ATOM 0 HB3 LYS A 49 16.678 -13.335 3.986 1.00 0.65 H new ATOM 0 HG2 LYS A 49 13.691 -13.886 3.983 1.00 0.73 H new ATOM 0 HG3 LYS A 49 14.852 -14.451 5.167 1.00 0.73 H new ATOM 0 HD2 LYS A 49 14.620 -11.488 4.659 1.00 0.72 H new ATOM 0 HD3 LYS A 49 13.377 -12.280 5.607 1.00 0.72 H new ATOM 0 HE2 LYS A 49 15.169 -11.317 7.024 1.00 0.82 H new ATOM 0 HE3 LYS A 49 15.012 -13.050 7.238 1.00 0.82 H new ATOM 0 HZ1 LYS A 49 17.327 -12.256 7.062 1.00 1.11 H new ATOM 0 HZ2 LYS A 49 16.932 -13.423 5.893 1.00 1.11 H new ATOM 0 HZ3 LYS A 49 17.029 -11.784 5.459 1.00 1.11 H new ATOM 826 N ASP A 50 15.883 -13.039 0.252 1.00 0.55 N ATOM 827 CA ASP A 50 16.643 -13.311 -0.954 1.00 0.56 C ATOM 828 C ASP A 50 16.799 -12.066 -1.789 1.00 0.50 C ATOM 829 O ASP A 50 15.827 -11.398 -2.129 1.00 0.47 O ATOM 830 CB ASP A 50 15.974 -14.402 -1.790 1.00 0.62 C ATOM 831 CG ASP A 50 16.288 -15.799 -1.302 1.00 0.97 C ATOM 832 OD1 ASP A 50 15.559 -16.312 -0.429 1.00 1.57 O ATOM 833 OD2 ASP A 50 17.263 -16.398 -1.800 1.00 1.58 O ATOM 0 H ASP A 50 14.909 -13.337 0.206 1.00 0.55 H new ATOM 0 HA ASP A 50 17.629 -13.656 -0.644 1.00 0.56 H new ATOM 0 HB2 ASP A 50 14.894 -14.252 -1.775 1.00 0.62 H new ATOM 0 HB3 ASP A 50 16.295 -14.305 -2.827 1.00 0.62 H new ATOM 838 N LYS A 51 18.041 -11.769 -2.123 1.00 0.50 N ATOM 839 CA LYS A 51 18.364 -10.653 -2.992 1.00 0.48 C ATOM 840 C LYS A 51 17.768 -10.877 -4.371 1.00 0.50 C ATOM 841 O LYS A 51 17.498 -9.928 -5.094 1.00 0.48 O ATOM 842 CB LYS A 51 19.874 -10.512 -3.093 1.00 0.53 C ATOM 843 CG LYS A 51 20.347 -9.354 -3.961 1.00 0.83 C ATOM 844 CD LYS A 51 19.851 -8.013 -3.444 1.00 0.60 C ATOM 845 CE LYS A 51 20.412 -6.861 -4.264 1.00 0.83 C ATOM 846 NZ LYS A 51 21.893 -6.770 -4.175 1.00 0.92 N ATOM 0 H LYS A 51 18.854 -12.294 -1.800 1.00 0.50 H new ATOM 0 HA LYS A 51 17.944 -9.738 -2.575 1.00 0.48 H new ATOM 0 HB2 LYS A 51 20.282 -10.387 -2.090 1.00 0.53 H new ATOM 0 HB3 LYS A 51 20.286 -11.439 -3.491 1.00 0.53 H new ATOM 0 HG2 LYS A 51 21.436 -9.348 -3.995 1.00 0.83 H new ATOM 0 HG3 LYS A 51 19.997 -9.500 -4.983 1.00 0.83 H new ATOM 0 HD2 LYS A 51 18.762 -7.989 -3.477 1.00 0.60 H new ATOM 0 HD3 LYS A 51 20.141 -7.894 -2.400 1.00 0.60 H new ATOM 0 HE2 LYS A 51 20.120 -6.985 -5.307 1.00 0.83 H new ATOM 0 HE3 LYS A 51 19.972 -5.925 -3.919 1.00 0.83 H new ATOM 0 HZ1 LYS A 51 22.206 -5.843 -4.529 1.00 0.92 H new ATOM 0 HZ2 LYS A 51 22.189 -6.880 -3.184 1.00 0.92 H new ATOM 0 HZ3 LYS A 51 22.322 -7.523 -4.750 1.00 0.92 H new ATOM 860 N ALA A 52 17.562 -12.139 -4.720 1.00 0.55 N ATOM 861 CA ALA A 52 16.922 -12.486 -5.977 1.00 0.60 C ATOM 862 C ALA A 52 15.457 -12.112 -5.917 1.00 0.58 C ATOM 863 O ALA A 52 14.881 -11.643 -6.892 1.00 0.60 O ATOM 864 CB ALA A 52 17.066 -13.970 -6.259 1.00 0.67 C ATOM 0 H ALA A 52 17.830 -12.940 -4.148 1.00 0.55 H new ATOM 0 HA ALA A 52 17.407 -11.935 -6.783 1.00 0.60 H new ATOM 0 HB1 ALA A 52 16.580 -14.209 -7.205 1.00 0.67 H new ATOM 0 HB2 ALA A 52 18.123 -14.228 -6.319 1.00 0.67 H new ATOM 0 HB3 ALA A 52 16.598 -14.540 -5.456 1.00 0.67 H new ATOM 870 N VAL A 53 14.881 -12.295 -4.741 1.00 0.54 N ATOM 871 CA VAL A 53 13.483 -11.965 -4.509 1.00 0.53 C ATOM 872 C VAL A 53 13.328 -10.459 -4.459 1.00 0.47 C ATOM 873 O VAL A 53 12.444 -9.880 -5.087 1.00 0.48 O ATOM 874 CB VAL A 53 12.975 -12.587 -3.187 1.00 0.53 C ATOM 875 CG1 VAL A 53 11.678 -11.936 -2.721 1.00 0.51 C ATOM 876 CG2 VAL A 53 12.772 -14.080 -3.345 1.00 0.60 C ATOM 0 H VAL A 53 15.363 -12.673 -3.926 1.00 0.54 H new ATOM 0 HA VAL A 53 12.889 -12.375 -5.326 1.00 0.53 H new ATOM 0 HB VAL A 53 13.737 -12.406 -2.429 1.00 0.53 H new ATOM 0 HG11 VAL A 53 11.352 -12.399 -1.790 1.00 0.51 H new ATOM 0 HG12 VAL A 53 11.844 -10.871 -2.558 1.00 0.51 H new ATOM 0 HG13 VAL A 53 10.909 -12.071 -3.482 1.00 0.51 H new ATOM 0 HG21 VAL A 53 12.415 -14.500 -2.405 1.00 0.60 H new ATOM 0 HG22 VAL A 53 12.037 -14.266 -4.128 1.00 0.60 H new ATOM 0 HG23 VAL A 53 13.718 -14.549 -3.616 1.00 0.60 H new ATOM 886 N ILE A 54 14.231 -9.840 -3.729 1.00 0.42 N ATOM 887 CA ILE A 54 14.241 -8.402 -3.568 1.00 0.36 C ATOM 888 C ILE A 54 14.518 -7.702 -4.880 1.00 0.38 C ATOM 889 O ILE A 54 13.986 -6.632 -5.145 1.00 0.38 O ATOM 890 CB ILE A 54 15.297 -8.011 -2.547 1.00 0.35 C ATOM 891 CG1 ILE A 54 14.874 -8.577 -1.199 1.00 0.37 C ATOM 892 CG2 ILE A 54 15.491 -6.497 -2.493 1.00 0.32 C ATOM 893 CD1 ILE A 54 15.774 -8.189 -0.065 1.00 0.38 C ATOM 0 H ILE A 54 14.980 -10.320 -3.230 1.00 0.42 H new ATOM 0 HA ILE A 54 13.255 -8.092 -3.221 1.00 0.36 H new ATOM 0 HB ILE A 54 16.264 -8.425 -2.832 1.00 0.35 H new ATOM 0 HG12 ILE A 54 13.861 -8.241 -0.977 1.00 0.37 H new ATOM 0 HG13 ILE A 54 14.841 -9.664 -1.267 1.00 0.37 H new ATOM 0 HG21 ILE A 54 16.253 -6.254 -1.753 1.00 0.32 H new ATOM 0 HG22 ILE A 54 15.807 -6.136 -3.471 1.00 0.32 H new ATOM 0 HG23 ILE A 54 14.551 -6.019 -2.216 1.00 0.32 H new ATOM 0 HD11 ILE A 54 15.405 -8.632 0.860 1.00 0.38 H new ATOM 0 HD12 ILE A 54 16.784 -8.549 -0.262 1.00 0.38 H new ATOM 0 HD13 ILE A 54 15.789 -7.103 0.033 1.00 0.38 H new ATOM 905 N ASP A 55 15.353 -8.316 -5.694 1.00 0.43 N ATOM 906 CA ASP A 55 15.679 -7.780 -7.000 1.00 0.47 C ATOM 907 C ASP A 55 14.425 -7.736 -7.834 1.00 0.48 C ATOM 908 O ASP A 55 14.054 -6.702 -8.362 1.00 0.49 O ATOM 909 CB ASP A 55 16.706 -8.662 -7.686 1.00 0.55 C ATOM 910 CG ASP A 55 17.328 -7.999 -8.892 1.00 0.86 C ATOM 911 OD1 ASP A 55 18.278 -7.210 -8.711 1.00 1.44 O ATOM 912 OD2 ASP A 55 16.873 -8.270 -10.024 1.00 1.53 O ATOM 0 H ASP A 55 15.822 -9.194 -5.471 1.00 0.43 H new ATOM 0 HA ASP A 55 16.093 -6.778 -6.887 1.00 0.47 H new ATOM 0 HB2 ASP A 55 17.490 -8.922 -6.974 1.00 0.55 H new ATOM 0 HB3 ASP A 55 16.232 -9.594 -7.993 1.00 0.55 H new ATOM 917 N GLU A 56 13.769 -8.880 -7.898 1.00 0.51 N ATOM 918 CA GLU A 56 12.504 -9.034 -8.592 1.00 0.54 C ATOM 919 C GLU A 56 11.514 -7.934 -8.209 1.00 0.47 C ATOM 920 O GLU A 56 10.878 -7.319 -9.070 1.00 0.49 O ATOM 921 CB GLU A 56 11.932 -10.398 -8.231 1.00 0.58 C ATOM 922 CG GLU A 56 12.662 -11.560 -8.883 1.00 0.69 C ATOM 923 CD GLU A 56 12.728 -11.437 -10.388 1.00 1.06 C ATOM 924 OE1 GLU A 56 11.707 -11.712 -11.054 1.00 1.66 O ATOM 925 OE2 GLU A 56 13.806 -11.080 -10.910 1.00 1.77 O ATOM 0 H GLU A 56 14.104 -9.740 -7.464 1.00 0.51 H new ATOM 0 HA GLU A 56 12.673 -8.956 -9.666 1.00 0.54 H new ATOM 0 HB2 GLU A 56 11.966 -10.521 -7.148 1.00 0.58 H new ATOM 0 HB3 GLU A 56 10.882 -10.430 -8.523 1.00 0.58 H new ATOM 0 HG2 GLU A 56 13.674 -11.618 -8.483 1.00 0.69 H new ATOM 0 HG3 GLU A 56 12.161 -12.492 -8.620 1.00 0.69 H new ATOM 932 N ILE A 57 11.403 -7.680 -6.915 1.00 0.42 N ATOM 933 CA ILE A 57 10.483 -6.685 -6.404 1.00 0.39 C ATOM 934 C ILE A 57 10.957 -5.274 -6.730 1.00 0.36 C ATOM 935 O ILE A 57 10.207 -4.473 -7.278 1.00 0.37 O ATOM 936 CB ILE A 57 10.352 -6.833 -4.892 1.00 0.40 C ATOM 937 CG1 ILE A 57 9.884 -8.243 -4.543 1.00 0.48 C ATOM 938 CG2 ILE A 57 9.392 -5.798 -4.352 1.00 0.59 C ATOM 939 CD1 ILE A 57 9.858 -8.525 -3.062 1.00 1.00 C ATOM 0 H ILE A 57 11.946 -8.157 -6.195 1.00 0.42 H new ATOM 0 HA ILE A 57 9.516 -6.844 -6.881 1.00 0.39 H new ATOM 0 HB ILE A 57 11.326 -6.671 -4.430 1.00 0.40 H new ATOM 0 HG12 ILE A 57 8.885 -8.396 -4.950 1.00 0.48 H new ATOM 0 HG13 ILE A 57 10.540 -8.965 -5.030 1.00 0.48 H new ATOM 0 HG21 ILE A 57 9.305 -5.911 -3.271 1.00 0.59 H new ATOM 0 HG22 ILE A 57 9.765 -4.800 -4.583 1.00 0.59 H new ATOM 0 HG23 ILE A 57 8.413 -5.935 -4.811 1.00 0.59 H new ATOM 0 HD11 ILE A 57 9.515 -9.546 -2.892 1.00 1.00 H new ATOM 0 HD12 ILE A 57 10.861 -8.406 -2.651 1.00 1.00 H new ATOM 0 HD13 ILE A 57 9.179 -7.828 -2.571 1.00 1.00 H new ATOM 951 N PHE A 58 12.210 -4.989 -6.390 1.00 0.35 N ATOM 952 CA PHE A 58 12.816 -3.686 -6.637 1.00 0.36 C ATOM 953 C PHE A 58 12.672 -3.307 -8.096 1.00 0.41 C ATOM 954 O PHE A 58 12.268 -2.197 -8.424 1.00 0.44 O ATOM 955 CB PHE A 58 14.300 -3.716 -6.259 1.00 0.38 C ATOM 956 CG PHE A 58 15.033 -2.438 -6.556 1.00 0.52 C ATOM 957 CD1 PHE A 58 15.029 -1.399 -5.646 1.00 1.52 C ATOM 958 CD2 PHE A 58 15.724 -2.278 -7.746 1.00 1.12 C ATOM 959 CE1 PHE A 58 15.699 -0.224 -5.913 1.00 1.68 C ATOM 960 CE2 PHE A 58 16.396 -1.104 -8.018 1.00 1.16 C ATOM 961 CZ PHE A 58 16.383 -0.075 -7.099 1.00 0.93 C ATOM 0 H PHE A 58 12.834 -5.656 -5.935 1.00 0.35 H new ATOM 0 HA PHE A 58 12.303 -2.944 -6.025 1.00 0.36 H new ATOM 0 HB2 PHE A 58 14.389 -3.935 -5.195 1.00 0.38 H new ATOM 0 HB3 PHE A 58 14.784 -4.533 -6.794 1.00 0.38 H new ATOM 0 HD1 PHE A 58 14.495 -1.508 -4.714 1.00 1.52 H new ATOM 0 HD2 PHE A 58 15.737 -3.081 -8.468 1.00 1.12 H new ATOM 0 HE1 PHE A 58 15.687 0.580 -5.192 1.00 1.68 H new ATOM 0 HE2 PHE A 58 16.931 -0.991 -8.949 1.00 1.16 H new ATOM 0 HZ PHE A 58 16.908 0.845 -7.309 1.00 0.93 H new ATOM 971 N GLN A 59 12.990 -4.253 -8.958 1.00 0.45 N ATOM 972 CA GLN A 59 12.916 -4.055 -10.392 1.00 0.52 C ATOM 973 C GLN A 59 11.469 -3.856 -10.826 1.00 0.52 C ATOM 974 O GLN A 59 11.193 -3.204 -11.832 1.00 0.57 O ATOM 975 CB GLN A 59 13.524 -5.257 -11.116 1.00 0.58 C ATOM 976 CG GLN A 59 15.002 -5.487 -10.813 1.00 0.61 C ATOM 977 CD GLN A 59 15.861 -4.249 -11.000 1.00 1.10 C ATOM 978 OE1 GLN A 59 16.868 -4.074 -10.312 1.00 1.92 O ATOM 979 NE2 GLN A 59 15.479 -3.386 -11.932 1.00 1.63 N ATOM 0 H GLN A 59 13.308 -5.182 -8.683 1.00 0.45 H new ATOM 0 HA GLN A 59 13.482 -3.161 -10.653 1.00 0.52 H new ATOM 0 HB2 GLN A 59 12.965 -6.152 -10.843 1.00 0.58 H new ATOM 0 HB3 GLN A 59 13.402 -5.120 -12.190 1.00 0.58 H new ATOM 0 HG2 GLN A 59 15.103 -5.838 -9.786 1.00 0.61 H new ATOM 0 HG3 GLN A 59 15.378 -6.280 -11.459 1.00 0.61 H new ATOM 0 HE21 GLN A 59 14.639 -3.567 -12.481 1.00 1.63 H new ATOM 0 HE22 GLN A 59 16.026 -2.541 -12.100 1.00 1.63 H new ATOM 988 N GLY A 60 10.551 -4.426 -10.054 1.00 0.48 N ATOM 989 CA GLY A 60 9.139 -4.249 -10.317 1.00 0.49 C ATOM 990 C GLY A 60 8.665 -2.847 -9.983 1.00 0.47 C ATOM 991 O GLY A 60 7.695 -2.360 -10.562 1.00 0.53 O ATOM 0 H GLY A 60 10.764 -5.011 -9.246 1.00 0.48 H new ATOM 0 HA2 GLY A 60 8.938 -4.458 -11.368 1.00 0.49 H new ATOM 0 HA3 GLY A 60 8.569 -4.972 -9.733 1.00 0.49 H new ATOM 995 N LEU A 61 9.344 -2.191 -9.048 1.00 0.42 N ATOM 996 CA LEU A 61 8.993 -0.828 -8.680 1.00 0.44 C ATOM 997 C LEU A 61 9.791 0.132 -9.537 1.00 0.51 C ATOM 998 O LEU A 61 9.273 1.133 -10.029 1.00 0.58 O ATOM 999 CB LEU A 61 9.280 -0.552 -7.199 1.00 0.39 C ATOM 1000 CG LEU A 61 9.338 -1.783 -6.296 1.00 0.34 C ATOM 1001 CD1 LEU A 61 9.889 -1.406 -4.934 1.00 0.31 C ATOM 1002 CD2 LEU A 61 7.959 -2.414 -6.157 1.00 0.35 C ATOM 0 H LEU A 61 10.135 -2.580 -8.535 1.00 0.42 H new ATOM 0 HA LEU A 61 7.924 -0.690 -8.844 1.00 0.44 H new ATOM 0 HB2 LEU A 61 10.231 -0.024 -7.124 1.00 0.39 H new ATOM 0 HB3 LEU A 61 8.511 0.120 -6.818 1.00 0.39 H new ATOM 0 HG LEU A 61 10.003 -2.516 -6.752 1.00 0.34 H new ATOM 0 HD11 LEU A 61 9.926 -2.291 -4.299 1.00 0.31 H new ATOM 0 HD12 LEU A 61 10.894 -0.999 -5.048 1.00 0.31 H new ATOM 0 HD13 LEU A 61 9.244 -0.657 -4.475 1.00 0.31 H new ATOM 0 HD21 LEU A 61 8.023 -3.289 -5.510 1.00 0.35 H new ATOM 0 HD22 LEU A 61 7.270 -1.690 -5.722 1.00 0.35 H new ATOM 0 HD23 LEU A 61 7.596 -2.715 -7.140 1.00 0.35 H new ATOM 1014 N ASP A 62 11.057 -0.206 -9.723 1.00 0.50 N ATOM 1015 CA ASP A 62 11.958 0.590 -10.536 1.00 0.59 C ATOM 1016 C ASP A 62 11.756 0.272 -12.010 1.00 0.70 C ATOM 1017 O ASP A 62 12.598 -0.354 -12.658 1.00 0.75 O ATOM 1018 CB ASP A 62 13.413 0.340 -10.133 1.00 0.57 C ATOM 1019 CG ASP A 62 14.393 1.188 -10.928 1.00 0.64 C ATOM 1020 OD1 ASP A 62 14.074 2.359 -11.230 1.00 1.11 O ATOM 1021 OD2 ASP A 62 15.481 0.680 -11.271 1.00 1.40 O ATOM 0 H ASP A 62 11.486 -1.037 -9.316 1.00 0.50 H new ATOM 0 HA ASP A 62 11.732 1.643 -10.370 1.00 0.59 H new ATOM 0 HB2 ASP A 62 13.534 0.552 -9.071 1.00 0.57 H new ATOM 0 HB3 ASP A 62 13.650 -0.714 -10.277 1.00 0.57 H new ATOM 1026 N ALA A 63 10.620 0.705 -12.532 1.00 0.78 N ATOM 1027 CA ALA A 63 10.325 0.566 -13.947 1.00 0.94 C ATOM 1028 C ALA A 63 11.218 1.502 -14.741 1.00 1.12 C ATOM 1029 O ALA A 63 11.385 1.359 -15.953 1.00 1.30 O ATOM 1030 CB ALA A 63 8.862 0.871 -14.214 1.00 0.99 C ATOM 0 H ALA A 63 9.883 1.159 -11.992 1.00 0.78 H new ATOM 0 HA ALA A 63 10.519 -0.461 -14.257 1.00 0.94 H new ATOM 0 HB1 ALA A 63 8.656 0.763 -15.279 1.00 0.99 H new ATOM 0 HB2 ALA A 63 8.237 0.177 -13.651 1.00 0.99 H new ATOM 0 HB3 ALA A 63 8.641 1.892 -13.904 1.00 0.99 H new ATOM 1036 N ASN A 64 11.798 2.454 -14.025 1.00 1.09 N ATOM 1037 CA ASN A 64 12.675 3.454 -14.612 1.00 1.28 C ATOM 1038 C ASN A 64 14.006 2.827 -14.991 1.00 1.21 C ATOM 1039 O ASN A 64 14.743 3.358 -15.820 1.00 1.37 O ATOM 1040 CB ASN A 64 12.918 4.594 -13.617 1.00 1.34 C ATOM 1041 CG ASN A 64 11.692 4.918 -12.786 1.00 2.03 C ATOM 1042 OD1 ASN A 64 10.849 5.725 -13.181 1.00 2.55 O ATOM 1043 ND2 ASN A 64 11.596 4.296 -11.617 1.00 2.80 N ATOM 0 H ASN A 64 11.673 2.554 -13.018 1.00 1.09 H new ATOM 0 HA ASN A 64 12.195 3.851 -15.506 1.00 1.28 H new ATOM 0 HB2 ASN A 64 13.740 4.323 -12.954 1.00 1.34 H new ATOM 0 HB3 ASN A 64 13.229 5.486 -14.161 1.00 1.34 H new ATOM 0 HD21 ASN A 64 10.800 4.479 -11.006 1.00 2.80 H new ATOM 0 HD22 ASN A 64 12.318 3.635 -11.330 1.00 2.80 H new ATOM 1050 N GLN A 65 14.292 1.678 -14.367 1.00 1.03 N ATOM 1051 CA GLN A 65 15.532 0.939 -14.584 1.00 1.05 C ATOM 1052 C GLN A 65 16.733 1.808 -14.245 1.00 1.04 C ATOM 1053 O GLN A 65 17.760 1.761 -14.924 1.00 1.17 O ATOM 1054 CB GLN A 65 15.625 0.440 -16.031 1.00 1.31 C ATOM 1055 CG GLN A 65 14.495 -0.496 -16.426 1.00 1.37 C ATOM 1056 CD GLN A 65 14.462 -1.772 -15.605 1.00 2.03 C ATOM 1057 OE1 GLN A 65 13.395 -2.334 -15.360 1.00 2.72 O ATOM 1058 NE2 GLN A 65 15.625 -2.245 -15.185 1.00 2.57 N ATOM 0 H GLN A 65 13.664 1.237 -13.695 1.00 1.03 H new ATOM 0 HA GLN A 65 15.531 0.071 -13.924 1.00 1.05 H new ATOM 0 HB2 GLN A 65 15.626 1.298 -16.703 1.00 1.31 H new ATOM 0 HB3 GLN A 65 16.576 -0.074 -16.169 1.00 1.31 H new ATOM 0 HG2 GLN A 65 13.544 0.025 -16.314 1.00 1.37 H new ATOM 0 HG3 GLN A 65 14.596 -0.752 -17.481 1.00 1.37 H new ATOM 0 HE21 GLN A 65 16.488 -1.750 -15.409 1.00 2.57 H new ATOM 0 HE22 GLN A 65 15.658 -3.105 -14.637 1.00 2.57 H new ATOM 1067 N ASP A 66 16.602 2.590 -13.183 1.00 0.93 N ATOM 1068 CA ASP A 66 17.633 3.555 -12.823 1.00 0.95 C ATOM 1069 C ASP A 66 18.126 3.316 -11.398 1.00 0.81 C ATOM 1070 O ASP A 66 18.947 4.071 -10.874 1.00 0.82 O ATOM 1071 CB ASP A 66 17.095 4.980 -12.978 1.00 1.06 C ATOM 1072 CG ASP A 66 18.200 6.009 -13.111 1.00 1.42 C ATOM 1073 OD1 ASP A 66 18.959 5.940 -14.102 1.00 2.13 O ATOM 1074 OD2 ASP A 66 18.316 6.888 -12.236 1.00 1.89 O ATOM 0 H ASP A 66 15.796 2.576 -12.558 1.00 0.93 H new ATOM 0 HA ASP A 66 18.480 3.426 -13.497 1.00 0.95 H new ATOM 0 HB2 ASP A 66 16.451 5.028 -13.856 1.00 1.06 H new ATOM 0 HB3 ASP A 66 16.476 5.227 -12.115 1.00 1.06 H new ATOM 1079 N GLU A 67 17.609 2.249 -10.791 1.00 0.73 N ATOM 1080 CA GLU A 67 17.998 1.823 -9.448 1.00 0.63 C ATOM 1081 C GLU A 67 17.584 2.864 -8.407 1.00 0.58 C ATOM 1082 O GLU A 67 18.367 3.252 -7.538 1.00 0.60 O ATOM 1083 CB GLU A 67 19.508 1.533 -9.382 1.00 0.68 C ATOM 1084 CG GLU A 67 19.937 0.786 -8.126 1.00 0.97 C ATOM 1085 CD GLU A 67 21.401 0.400 -8.139 1.00 1.42 C ATOM 1086 OE1 GLU A 67 22.254 1.259 -7.824 1.00 2.02 O ATOM 1087 OE2 GLU A 67 21.710 -0.770 -8.452 1.00 2.01 O ATOM 0 H GLU A 67 16.903 1.651 -11.221 1.00 0.73 H new ATOM 0 HA GLU A 67 17.473 0.896 -9.217 1.00 0.63 H new ATOM 0 HB2 GLU A 67 19.795 0.949 -10.256 1.00 0.68 H new ATOM 0 HB3 GLU A 67 20.052 2.476 -9.436 1.00 0.68 H new ATOM 0 HG2 GLU A 67 19.739 1.409 -7.254 1.00 0.97 H new ATOM 0 HG3 GLU A 67 19.331 -0.113 -8.020 1.00 0.97 H new ATOM 1094 N GLN A 68 16.336 3.310 -8.500 1.00 0.61 N ATOM 1095 CA GLN A 68 15.794 4.284 -7.559 1.00 0.65 C ATOM 1096 C GLN A 68 14.350 3.954 -7.197 1.00 0.66 C ATOM 1097 O GLN A 68 13.474 3.930 -8.063 1.00 0.78 O ATOM 1098 CB GLN A 68 15.853 5.699 -8.143 1.00 0.85 C ATOM 1099 CG GLN A 68 17.261 6.243 -8.318 1.00 1.38 C ATOM 1100 CD GLN A 68 17.269 7.679 -8.803 1.00 1.63 C ATOM 1101 OE1 GLN A 68 16.352 8.453 -8.521 1.00 2.16 O ATOM 1102 NE2 GLN A 68 18.305 8.048 -9.533 1.00 2.07 N ATOM 0 H GLN A 68 15.678 3.011 -9.220 1.00 0.61 H new ATOM 0 HA GLN A 68 16.407 4.239 -6.659 1.00 0.65 H new ATOM 0 HB2 GLN A 68 15.352 5.702 -9.111 1.00 0.85 H new ATOM 0 HB3 GLN A 68 15.294 6.372 -7.493 1.00 0.85 H new ATOM 0 HG2 GLN A 68 17.793 6.180 -7.369 1.00 1.38 H new ATOM 0 HG3 GLN A 68 17.803 5.619 -9.029 1.00 1.38 H new ATOM 0 HE21 GLN A 68 19.044 7.378 -9.745 1.00 2.07 H new ATOM 0 HE22 GLN A 68 18.366 9.003 -9.885 1.00 2.07 H new ATOM 1111 N VAL A 69 14.108 3.688 -5.922 1.00 0.59 N ATOM 1112 CA VAL A 69 12.758 3.506 -5.423 1.00 0.64 C ATOM 1113 C VAL A 69 12.332 4.708 -4.586 1.00 0.64 C ATOM 1114 O VAL A 69 12.811 4.918 -3.474 1.00 0.68 O ATOM 1115 CB VAL A 69 12.630 2.202 -4.602 1.00 0.72 C ATOM 1116 CG1 VAL A 69 11.347 2.175 -3.784 1.00 1.81 C ATOM 1117 CG2 VAL A 69 12.674 1.005 -5.532 1.00 1.22 C ATOM 0 H VAL A 69 14.835 3.593 -5.213 1.00 0.59 H new ATOM 0 HA VAL A 69 12.093 3.424 -6.283 1.00 0.64 H new ATOM 0 HB VAL A 69 13.468 2.160 -3.907 1.00 0.72 H new ATOM 0 HG11 VAL A 69 11.294 1.243 -3.221 1.00 1.81 H new ATOM 0 HG12 VAL A 69 11.339 3.017 -3.092 1.00 1.81 H new ATOM 0 HG13 VAL A 69 10.488 2.245 -4.452 1.00 1.81 H new ATOM 0 HG21 VAL A 69 12.584 0.088 -4.949 1.00 1.22 H new ATOM 0 HG22 VAL A 69 11.850 1.066 -6.243 1.00 1.22 H new ATOM 0 HG23 VAL A 69 13.620 0.999 -6.073 1.00 1.22 H new ATOM 1127 N ASP A 70 11.442 5.504 -5.154 1.00 0.67 N ATOM 1128 CA ASP A 70 10.848 6.636 -4.452 1.00 0.73 C ATOM 1129 C ASP A 70 9.747 6.130 -3.529 1.00 0.64 C ATOM 1130 O ASP A 70 9.431 4.945 -3.554 1.00 0.56 O ATOM 1131 CB ASP A 70 10.272 7.632 -5.470 1.00 0.84 C ATOM 1132 CG ASP A 70 9.641 8.857 -4.832 1.00 1.38 C ATOM 1133 OD1 ASP A 70 10.377 9.793 -4.471 1.00 1.99 O ATOM 1134 OD2 ASP A 70 8.399 8.885 -4.687 1.00 2.02 O ATOM 0 H ASP A 70 11.110 5.387 -6.111 1.00 0.67 H new ATOM 0 HA ASP A 70 11.609 7.143 -3.859 1.00 0.73 H new ATOM 0 HB2 ASP A 70 11.068 7.952 -6.143 1.00 0.84 H new ATOM 0 HB3 ASP A 70 9.524 7.124 -6.079 1.00 0.84 H new ATOM 1139 N PHE A 71 9.159 7.002 -2.728 1.00 0.70 N ATOM 1140 CA PHE A 71 8.012 6.624 -1.914 1.00 0.66 C ATOM 1141 C PHE A 71 6.892 6.091 -2.807 1.00 0.55 C ATOM 1142 O PHE A 71 6.128 5.219 -2.405 1.00 0.48 O ATOM 1143 CB PHE A 71 7.513 7.812 -1.089 1.00 0.82 C ATOM 1144 CG PHE A 71 8.471 8.249 -0.015 1.00 1.12 C ATOM 1145 CD1 PHE A 71 9.612 8.970 -0.330 1.00 1.50 C ATOM 1146 CD2 PHE A 71 8.231 7.930 1.313 1.00 1.92 C ATOM 1147 CE1 PHE A 71 10.496 9.365 0.657 1.00 1.76 C ATOM 1148 CE2 PHE A 71 9.111 8.322 2.303 1.00 2.17 C ATOM 1149 CZ PHE A 71 10.244 9.040 1.975 1.00 1.76 C ATOM 0 H PHE A 71 9.454 7.973 -2.623 1.00 0.70 H new ATOM 0 HA PHE A 71 8.322 5.839 -1.224 1.00 0.66 H new ATOM 0 HB2 PHE A 71 7.322 8.652 -1.757 1.00 0.82 H new ATOM 0 HB3 PHE A 71 6.561 7.549 -0.629 1.00 0.82 H new ATOM 0 HD1 PHE A 71 9.813 9.227 -1.360 1.00 1.50 H new ATOM 0 HD2 PHE A 71 7.346 7.369 1.576 1.00 1.92 H new ATOM 0 HE1 PHE A 71 11.381 9.926 0.398 1.00 1.76 H new ATOM 0 HE2 PHE A 71 8.913 8.067 3.334 1.00 2.17 H new ATOM 0 HZ PHE A 71 10.932 9.347 2.749 1.00 1.76 H new ATOM 1159 N GLN A 72 6.818 6.609 -4.031 1.00 0.59 N ATOM 1160 CA GLN A 72 5.835 6.144 -5.002 1.00 0.56 C ATOM 1161 C GLN A 72 6.198 4.759 -5.541 1.00 0.49 C ATOM 1162 O GLN A 72 5.332 3.905 -5.733 1.00 0.47 O ATOM 1163 CB GLN A 72 5.705 7.143 -6.149 1.00 0.69 C ATOM 1164 CG GLN A 72 4.682 6.725 -7.186 1.00 0.74 C ATOM 1165 CD GLN A 72 4.466 7.774 -8.256 1.00 1.08 C ATOM 1166 OE1 GLN A 72 5.374 8.527 -8.597 1.00 1.66 O ATOM 1167 NE2 GLN A 72 3.257 7.834 -8.787 1.00 1.66 N ATOM 0 H GLN A 72 7.428 7.351 -4.372 1.00 0.59 H new ATOM 0 HA GLN A 72 4.874 6.065 -4.493 1.00 0.56 H new ATOM 0 HB2 GLN A 72 5.428 8.117 -5.745 1.00 0.69 H new ATOM 0 HB3 GLN A 72 6.675 7.262 -6.631 1.00 0.69 H new ATOM 0 HG2 GLN A 72 5.006 5.796 -7.655 1.00 0.74 H new ATOM 0 HG3 GLN A 72 3.733 6.518 -6.691 1.00 0.74 H new ATOM 0 HE21 GLN A 72 2.530 7.189 -8.475 1.00 1.66 H new ATOM 0 HE22 GLN A 72 3.051 8.525 -9.509 1.00 1.66 H new ATOM 1176 N GLU A 73 7.474 4.533 -5.782 1.00 0.49 N ATOM 1177 CA GLU A 73 7.935 3.219 -6.216 1.00 0.46 C ATOM 1178 C GLU A 73 7.832 2.236 -5.051 1.00 0.36 C ATOM 1179 O GLU A 73 7.585 1.046 -5.231 1.00 0.32 O ATOM 1180 CB GLU A 73 9.368 3.305 -6.742 1.00 0.56 C ATOM 1181 CG GLU A 73 9.587 4.435 -7.746 1.00 0.78 C ATOM 1182 CD GLU A 73 8.730 4.313 -8.996 1.00 1.15 C ATOM 1183 OE1 GLU A 73 7.486 4.315 -8.884 1.00 1.99 O ATOM 1184 OE2 GLU A 73 9.300 4.246 -10.105 1.00 1.82 O ATOM 0 H GLU A 73 8.210 5.233 -5.687 1.00 0.49 H new ATOM 0 HA GLU A 73 7.305 2.862 -7.031 1.00 0.46 H new ATOM 0 HB2 GLU A 73 10.047 3.442 -5.900 1.00 0.56 H new ATOM 0 HB3 GLU A 73 9.631 2.357 -7.212 1.00 0.56 H new ATOM 0 HG2 GLU A 73 9.374 5.387 -7.261 1.00 0.78 H new ATOM 0 HG3 GLU A 73 10.638 4.454 -8.036 1.00 0.78 H new ATOM 1191 N PHE A 74 7.996 2.759 -3.847 1.00 0.37 N ATOM 1192 CA PHE A 74 7.786 1.985 -2.636 1.00 0.34 C ATOM 1193 C PHE A 74 6.296 1.748 -2.434 1.00 0.32 C ATOM 1194 O PHE A 74 5.884 0.823 -1.740 1.00 0.33 O ATOM 1195 CB PHE A 74 8.372 2.720 -1.434 1.00 0.43 C ATOM 1196 CG PHE A 74 8.315 1.933 -0.156 1.00 0.78 C ATOM 1197 CD1 PHE A 74 9.184 0.878 0.059 1.00 1.31 C ATOM 1198 CD2 PHE A 74 7.395 2.250 0.830 1.00 1.44 C ATOM 1199 CE1 PHE A 74 9.139 0.153 1.234 1.00 1.77 C ATOM 1200 CE2 PHE A 74 7.345 1.528 2.006 1.00 1.92 C ATOM 1201 CZ PHE A 74 8.218 0.479 2.209 1.00 1.89 C ATOM 0 H PHE A 74 8.277 3.726 -3.683 1.00 0.37 H new ATOM 0 HA PHE A 74 8.290 1.023 -2.733 1.00 0.34 H new ATOM 0 HB2 PHE A 74 9.410 2.975 -1.647 1.00 0.43 H new ATOM 0 HB3 PHE A 74 7.835 3.658 -1.296 1.00 0.43 H new ATOM 0 HD1 PHE A 74 9.906 0.618 -0.701 1.00 1.31 H new ATOM 0 HD2 PHE A 74 6.710 3.071 0.677 1.00 1.44 H new ATOM 0 HE1 PHE A 74 9.824 -0.668 1.390 1.00 1.77 H new ATOM 0 HE2 PHE A 74 6.623 1.784 2.767 1.00 1.92 H new ATOM 0 HZ PHE A 74 8.181 -0.086 3.129 1.00 1.89 H new ATOM 1211 N ILE A 75 5.496 2.583 -3.070 1.00 0.33 N ATOM 1212 CA ILE A 75 4.057 2.446 -3.037 1.00 0.35 C ATOM 1213 C ILE A 75 3.661 1.174 -3.770 1.00 0.34 C ATOM 1214 O ILE A 75 2.813 0.409 -3.306 1.00 0.36 O ATOM 1215 CB ILE A 75 3.379 3.695 -3.654 1.00 0.41 C ATOM 1216 CG1 ILE A 75 2.886 4.626 -2.557 1.00 0.49 C ATOM 1217 CG2 ILE A 75 2.241 3.317 -4.583 1.00 0.45 C ATOM 1218 CD1 ILE A 75 2.686 6.046 -3.029 1.00 0.67 C ATOM 0 H ILE A 75 5.828 3.374 -3.623 1.00 0.33 H new ATOM 0 HA ILE A 75 3.717 2.372 -2.004 1.00 0.35 H new ATOM 0 HB ILE A 75 4.128 4.216 -4.250 1.00 0.41 H new ATOM 0 HG12 ILE A 75 1.944 4.245 -2.162 1.00 0.49 H new ATOM 0 HG13 ILE A 75 3.602 4.620 -1.735 1.00 0.49 H new ATOM 0 HG21 ILE A 75 1.792 4.221 -4.995 1.00 0.45 H new ATOM 0 HG22 ILE A 75 2.624 2.700 -5.395 1.00 0.45 H new ATOM 0 HG23 ILE A 75 1.488 2.759 -4.027 1.00 0.45 H new ATOM 0 HD11 ILE A 75 2.334 6.659 -2.199 1.00 0.67 H new ATOM 0 HD12 ILE A 75 3.632 6.443 -3.398 1.00 0.67 H new ATOM 0 HD13 ILE A 75 1.948 6.062 -3.831 1.00 0.67 H new ATOM 1230 N SER A 76 4.310 0.931 -4.903 1.00 0.34 N ATOM 1231 CA SER A 76 4.133 -0.324 -5.600 1.00 0.36 C ATOM 1232 C SER A 76 4.748 -1.471 -4.798 1.00 0.31 C ATOM 1233 O SER A 76 4.290 -2.598 -4.881 1.00 0.33 O ATOM 1234 CB SER A 76 4.706 -0.254 -7.018 1.00 0.45 C ATOM 1235 OG SER A 76 5.843 0.591 -7.086 1.00 0.74 O ATOM 0 H SER A 76 4.955 1.583 -5.350 1.00 0.34 H new ATOM 0 HA SER A 76 3.065 -0.518 -5.695 1.00 0.36 H new ATOM 0 HB2 SER A 76 4.978 -1.256 -7.350 1.00 0.45 H new ATOM 0 HB3 SER A 76 3.940 0.112 -7.702 1.00 0.45 H new ATOM 0 HG SER A 76 6.363 0.507 -6.259 1.00 0.74 H new ATOM 1241 N LEU A 77 5.764 -1.177 -3.990 1.00 0.28 N ATOM 1242 CA LEU A 77 6.340 -2.183 -3.095 1.00 0.26 C ATOM 1243 C LEU A 77 5.278 -2.667 -2.120 1.00 0.23 C ATOM 1244 O LEU A 77 5.123 -3.866 -1.900 1.00 0.23 O ATOM 1245 CB LEU A 77 7.555 -1.601 -2.339 1.00 0.30 C ATOM 1246 CG LEU A 77 8.246 -2.508 -1.296 1.00 0.38 C ATOM 1247 CD1 LEU A 77 7.478 -2.546 0.020 1.00 1.11 C ATOM 1248 CD2 LEU A 77 8.427 -3.913 -1.837 1.00 1.15 C ATOM 0 H LEU A 77 6.204 -0.258 -3.935 1.00 0.28 H new ATOM 0 HA LEU A 77 6.687 -3.031 -3.686 1.00 0.26 H new ATOM 0 HB2 LEU A 77 8.302 -1.307 -3.077 1.00 0.30 H new ATOM 0 HB3 LEU A 77 7.232 -0.691 -1.833 1.00 0.30 H new ATOM 0 HG LEU A 77 9.228 -2.078 -1.097 1.00 0.38 H new ATOM 0 HD11 LEU A 77 7.997 -3.195 0.726 1.00 1.11 H new ATOM 0 HD12 LEU A 77 7.413 -1.539 0.433 1.00 1.11 H new ATOM 0 HD13 LEU A 77 6.474 -2.932 -0.156 1.00 1.11 H new ATOM 0 HD21 LEU A 77 8.915 -4.532 -1.085 1.00 1.15 H new ATOM 0 HD22 LEU A 77 7.453 -4.338 -2.080 1.00 1.15 H new ATOM 0 HD23 LEU A 77 9.043 -3.880 -2.736 1.00 1.15 H new ATOM 1260 N VAL A 78 4.538 -1.728 -1.549 1.00 0.24 N ATOM 1261 CA VAL A 78 3.489 -2.066 -0.603 1.00 0.25 C ATOM 1262 C VAL A 78 2.379 -2.821 -1.315 1.00 0.27 C ATOM 1263 O VAL A 78 1.668 -3.606 -0.711 1.00 0.28 O ATOM 1264 CB VAL A 78 2.906 -0.816 0.084 1.00 0.29 C ATOM 1265 CG1 VAL A 78 2.002 -1.213 1.233 1.00 0.33 C ATOM 1266 CG2 VAL A 78 4.019 0.099 0.569 1.00 0.31 C ATOM 0 H VAL A 78 4.645 -0.729 -1.725 1.00 0.24 H new ATOM 0 HA VAL A 78 3.932 -2.694 0.170 1.00 0.25 H new ATOM 0 HB VAL A 78 2.311 -0.270 -0.648 1.00 0.29 H new ATOM 0 HG11 VAL A 78 1.600 -0.317 1.706 1.00 0.33 H new ATOM 0 HG12 VAL A 78 1.182 -1.824 0.856 1.00 0.33 H new ATOM 0 HG13 VAL A 78 2.573 -1.784 1.965 1.00 0.33 H new ATOM 0 HG21 VAL A 78 3.586 0.975 1.051 1.00 0.31 H new ATOM 0 HG22 VAL A 78 4.644 -0.436 1.284 1.00 0.31 H new ATOM 0 HG23 VAL A 78 4.626 0.415 -0.279 1.00 0.31 H new ATOM 1276 N ALA A 79 2.249 -2.587 -2.610 1.00 0.31 N ATOM 1277 CA ALA A 79 1.319 -3.346 -3.432 1.00 0.35 C ATOM 1278 C ALA A 79 1.731 -4.813 -3.468 1.00 0.33 C ATOM 1279 O ALA A 79 0.904 -5.713 -3.313 1.00 0.33 O ATOM 1280 CB ALA A 79 1.275 -2.764 -4.837 1.00 0.43 C ATOM 0 H ALA A 79 2.777 -1.876 -3.117 1.00 0.31 H new ATOM 0 HA ALA A 79 0.321 -3.280 -2.999 1.00 0.35 H new ATOM 0 HB1 ALA A 79 0.577 -3.337 -5.447 1.00 0.43 H new ATOM 0 HB2 ALA A 79 0.948 -1.725 -4.790 1.00 0.43 H new ATOM 0 HB3 ALA A 79 2.269 -2.812 -5.282 1.00 0.43 H new ATOM 1286 N ILE A 80 3.023 -5.037 -3.659 1.00 0.32 N ATOM 1287 CA ILE A 80 3.603 -6.374 -3.625 1.00 0.32 C ATOM 1288 C ILE A 80 3.453 -6.981 -2.230 1.00 0.28 C ATOM 1289 O ILE A 80 3.133 -8.160 -2.073 1.00 0.31 O ATOM 1290 CB ILE A 80 5.113 -6.336 -4.012 1.00 0.34 C ATOM 1291 CG1 ILE A 80 5.313 -6.269 -5.534 1.00 0.38 C ATOM 1292 CG2 ILE A 80 5.864 -7.533 -3.443 1.00 0.36 C ATOM 1293 CD1 ILE A 80 4.643 -5.094 -6.209 1.00 0.40 C ATOM 0 H ILE A 80 3.700 -4.297 -3.842 1.00 0.32 H new ATOM 0 HA ILE A 80 3.069 -6.989 -4.349 1.00 0.32 H new ATOM 0 HB ILE A 80 5.523 -5.426 -3.574 1.00 0.34 H new ATOM 0 HG12 ILE A 80 6.382 -6.230 -5.745 1.00 0.38 H new ATOM 0 HG13 ILE A 80 4.934 -7.190 -5.977 1.00 0.38 H new ATOM 0 HG21 ILE A 80 6.913 -7.475 -3.732 1.00 0.36 H new ATOM 0 HG22 ILE A 80 5.786 -7.528 -2.356 1.00 0.36 H new ATOM 0 HG23 ILE A 80 5.431 -8.454 -3.834 1.00 0.36 H new ATOM 0 HD11 ILE A 80 4.839 -5.130 -7.281 1.00 0.40 H new ATOM 0 HD12 ILE A 80 3.568 -5.139 -6.035 1.00 0.40 H new ATOM 0 HD13 ILE A 80 5.038 -4.165 -5.799 1.00 0.40 H new ATOM 1305 N ALA A 81 3.659 -6.147 -1.228 1.00 0.23 N ATOM 1306 CA ALA A 81 3.712 -6.589 0.153 1.00 0.23 C ATOM 1307 C ALA A 81 2.331 -6.885 0.733 1.00 0.23 C ATOM 1308 O ALA A 81 2.154 -7.876 1.432 1.00 0.28 O ATOM 1309 CB ALA A 81 4.434 -5.550 0.981 1.00 0.24 C ATOM 0 H ALA A 81 3.794 -5.143 -1.349 1.00 0.23 H new ATOM 0 HA ALA A 81 4.259 -7.531 0.182 1.00 0.23 H new ATOM 0 HB1 ALA A 81 4.476 -5.878 2.020 1.00 0.24 H new ATOM 0 HB2 ALA A 81 5.447 -5.421 0.600 1.00 0.24 H new ATOM 0 HB3 ALA A 81 3.900 -4.602 0.921 1.00 0.24 H new ATOM 1315 N LEU A 82 1.361 -6.027 0.452 1.00 0.22 N ATOM 1316 CA LEU A 82 -0.012 -6.261 0.879 1.00 0.23 C ATOM 1317 C LEU A 82 -0.553 -7.501 0.191 1.00 0.24 C ATOM 1318 O LEU A 82 -1.345 -8.258 0.760 1.00 0.29 O ATOM 1319 CB LEU A 82 -0.900 -5.067 0.546 1.00 0.25 C ATOM 1320 CG LEU A 82 -0.574 -3.769 1.282 1.00 0.26 C ATOM 1321 CD1 LEU A 82 -1.433 -2.643 0.746 1.00 0.33 C ATOM 1322 CD2 LEU A 82 -0.790 -3.930 2.776 1.00 0.31 C ATOM 0 H LEU A 82 1.499 -5.162 -0.070 1.00 0.22 H new ATOM 0 HA LEU A 82 -0.016 -6.403 1.960 1.00 0.23 H new ATOM 0 HB2 LEU A 82 -0.838 -4.880 -0.526 1.00 0.25 H new ATOM 0 HB3 LEU A 82 -1.934 -5.336 0.763 1.00 0.25 H new ATOM 0 HG LEU A 82 0.475 -3.528 1.113 1.00 0.26 H new ATOM 0 HD11 LEU A 82 -1.195 -1.720 1.275 1.00 0.33 H new ATOM 0 HD12 LEU A 82 -1.238 -2.511 -0.318 1.00 0.33 H new ATOM 0 HD13 LEU A 82 -2.485 -2.886 0.895 1.00 0.33 H new ATOM 0 HD21 LEU A 82 -0.552 -2.994 3.281 1.00 0.31 H new ATOM 0 HD22 LEU A 82 -1.831 -4.191 2.967 1.00 0.31 H new ATOM 0 HD23 LEU A 82 -0.142 -4.721 3.154 1.00 0.31 H new ATOM 1334 N LYS A 83 -0.115 -7.699 -1.044 1.00 0.26 N ATOM 1335 CA LYS A 83 -0.453 -8.896 -1.782 1.00 0.33 C ATOM 1336 C LYS A 83 0.158 -10.101 -1.090 1.00 0.31 C ATOM 1337 O LYS A 83 -0.494 -11.115 -0.907 1.00 0.44 O ATOM 1338 CB LYS A 83 0.052 -8.810 -3.218 1.00 0.42 C ATOM 1339 CG LYS A 83 -1.029 -9.088 -4.238 1.00 0.66 C ATOM 1340 CD LYS A 83 -1.473 -10.527 -4.126 1.00 1.04 C ATOM 1341 CE LYS A 83 -2.808 -10.771 -4.795 1.00 0.80 C ATOM 1342 NZ LYS A 83 -2.735 -10.638 -6.276 1.00 1.67 N ATOM 0 H LYS A 83 0.476 -7.041 -1.552 1.00 0.26 H new ATOM 0 HA LYS A 83 -1.538 -8.997 -1.809 1.00 0.33 H new ATOM 0 HB2 LYS A 83 0.464 -7.816 -3.394 1.00 0.42 H new ATOM 0 HB3 LYS A 83 0.866 -9.522 -3.355 1.00 0.42 H new ATOM 0 HG2 LYS A 83 -1.876 -8.422 -4.076 1.00 0.66 H new ATOM 0 HG3 LYS A 83 -0.655 -8.889 -5.242 1.00 0.66 H new ATOM 0 HD2 LYS A 83 -0.720 -11.173 -4.577 1.00 1.04 H new ATOM 0 HD3 LYS A 83 -1.541 -10.803 -3.074 1.00 1.04 H new ATOM 0 HE2 LYS A 83 -3.162 -11.770 -4.540 1.00 0.80 H new ATOM 0 HE3 LYS A 83 -3.541 -10.064 -4.405 1.00 0.80 H new ATOM 0 HZ1 LYS A 83 -3.674 -10.814 -6.687 1.00 1.67 H new ATOM 0 HZ2 LYS A 83 -2.424 -9.677 -6.523 1.00 1.67 H new ATOM 0 HZ3 LYS A 83 -2.056 -11.330 -6.654 1.00 1.67 H new ATOM 1356 N ALA A 84 1.409 -9.965 -0.695 1.00 0.31 N ATOM 1357 CA ALA A 84 2.099 -10.998 0.061 1.00 0.35 C ATOM 1358 C ALA A 84 1.445 -11.218 1.425 1.00 0.33 C ATOM 1359 O ALA A 84 1.656 -12.242 2.057 1.00 0.40 O ATOM 1360 CB ALA A 84 3.563 -10.636 0.226 1.00 0.48 C ATOM 0 H ALA A 84 1.976 -9.139 -0.887 1.00 0.31 H new ATOM 0 HA ALA A 84 2.026 -11.932 -0.497 1.00 0.35 H new ATOM 0 HB1 ALA A 84 4.069 -11.417 0.794 1.00 0.48 H new ATOM 0 HB2 ALA A 84 4.027 -10.542 -0.756 1.00 0.48 H new ATOM 0 HB3 ALA A 84 3.646 -9.689 0.759 1.00 0.48 H new ATOM 1366 N ALA A 85 0.691 -10.233 1.889 1.00 0.30 N ATOM 1367 CA ALA A 85 0.015 -10.322 3.176 1.00 0.38 C ATOM 1368 C ALA A 85 -1.276 -11.145 3.083 1.00 0.44 C ATOM 1369 O ALA A 85 -1.451 -12.114 3.818 1.00 0.57 O ATOM 1370 CB ALA A 85 -0.277 -8.926 3.701 1.00 0.43 C ATOM 0 H ALA A 85 0.531 -9.358 1.391 1.00 0.30 H new ATOM 0 HA ALA A 85 0.677 -10.837 3.872 1.00 0.38 H new ATOM 0 HB1 ALA A 85 -0.783 -8.998 4.664 1.00 0.43 H new ATOM 0 HB2 ALA A 85 0.658 -8.380 3.822 1.00 0.43 H new ATOM 0 HB3 ALA A 85 -0.916 -8.398 2.994 1.00 0.43 H new ATOM 1376 N HIS A 86 -2.179 -10.758 2.185 1.00 0.44 N ATOM 1377 CA HIS A 86 -3.456 -11.467 2.034 1.00 0.59 C ATOM 1378 C HIS A 86 -3.277 -12.732 1.200 1.00 0.63 C ATOM 1379 O HIS A 86 -3.752 -13.808 1.552 1.00 0.72 O ATOM 1380 CB HIS A 86 -4.501 -10.557 1.382 1.00 0.69 C ATOM 1381 CG HIS A 86 -5.824 -11.227 1.134 1.00 1.28 C ATOM 1382 ND1 HIS A 86 -6.799 -11.361 2.100 1.00 2.06 N ATOM 1383 CD2 HIS A 86 -6.322 -11.812 0.018 1.00 2.11 C ATOM 1384 CE1 HIS A 86 -7.838 -11.999 1.589 1.00 2.66 C ATOM 1385 NE2 HIS A 86 -7.573 -12.282 0.328 1.00 2.68 N ATOM 0 H HIS A 86 -2.056 -9.966 1.554 1.00 0.44 H new ATOM 0 HA HIS A 86 -3.804 -11.750 3.027 1.00 0.59 H new ATOM 0 HB2 HIS A 86 -4.659 -9.687 2.020 1.00 0.69 H new ATOM 0 HB3 HIS A 86 -4.108 -10.190 0.434 1.00 0.69 H new ATOM 0 HD2 HIS A 86 -5.826 -11.893 -0.938 1.00 2.11 H new ATOM 0 HE1 HIS A 86 -8.749 -12.246 2.114 1.00 2.66 H new ATOM 0 HE2 HIS A 86 -8.198 -12.771 -0.313 1.00 2.68 H new ATOM 1394 N TYR A 87 -2.575 -12.572 0.100 1.00 0.58 N ATOM 1395 CA TYR A 87 -2.267 -13.650 -0.832 1.00 0.65 C ATOM 1396 C TYR A 87 -0.978 -14.337 -0.397 1.00 0.62 C ATOM 1397 O TYR A 87 -0.204 -14.804 -1.232 1.00 0.66 O ATOM 1398 CB TYR A 87 -2.166 -13.132 -2.266 1.00 0.69 C ATOM 1399 CG TYR A 87 -2.292 -14.206 -3.327 1.00 0.87 C ATOM 1400 CD1 TYR A 87 -3.467 -14.933 -3.466 1.00 1.44 C ATOM 1401 CD2 TYR A 87 -1.239 -14.488 -4.190 1.00 1.62 C ATOM 1402 CE1 TYR A 87 -3.590 -15.913 -4.432 1.00 1.55 C ATOM 1403 CE2 TYR A 87 -1.356 -15.466 -5.161 1.00 1.80 C ATOM 1404 CZ TYR A 87 -2.533 -16.174 -5.278 1.00 1.29 C ATOM 1405 OH TYR A 87 -2.654 -17.149 -6.244 1.00 1.52 O ATOM 0 H TYR A 87 -2.191 -11.671 -0.184 1.00 0.58 H new ATOM 0 HA TYR A 87 -3.079 -14.377 -0.816 1.00 0.65 H new ATOM 0 HB2 TYR A 87 -2.945 -12.386 -2.426 1.00 0.69 H new ATOM 0 HB3 TYR A 87 -1.209 -12.625 -2.390 1.00 0.69 H new ATOM 0 HD1 TYR A 87 -4.299 -14.729 -2.808 1.00 1.44 H new ATOM 0 HD2 TYR A 87 -0.316 -13.935 -4.101 1.00 1.62 H new ATOM 0 HE1 TYR A 87 -4.510 -16.472 -4.524 1.00 1.55 H new ATOM 0 HE2 TYR A 87 -0.529 -15.674 -5.824 1.00 1.80 H new ATOM 0 HH TYR A 87 -1.821 -17.207 -6.756 1.00 1.52 H new ATOM 1415 N HIS A 88 -0.713 -14.241 0.911 1.00 0.59 N ATOM 1416 CA HIS A 88 0.486 -14.773 1.595 1.00 0.62 C ATOM 1417 C HIS A 88 0.875 -16.212 1.194 1.00 0.69 C ATOM 1418 O HIS A 88 1.786 -16.798 1.781 1.00 0.75 O ATOM 1419 CB HIS A 88 0.224 -14.718 3.110 1.00 0.65 C ATOM 1420 CG HIS A 88 1.432 -14.939 3.975 1.00 1.54 C ATOM 1421 ND1 HIS A 88 1.665 -16.111 4.658 1.00 2.37 N ATOM 1422 CD2 HIS A 88 2.460 -14.117 4.286 1.00 2.40 C ATOM 1423 CE1 HIS A 88 2.782 -16.001 5.350 1.00 3.25 C ATOM 1424 NE2 HIS A 88 3.285 -14.800 5.142 1.00 3.26 N ATOM 0 H HIS A 88 -1.351 -13.772 1.554 1.00 0.59 H new ATOM 0 HA HIS A 88 1.329 -14.152 1.291 1.00 0.62 H new ATOM 0 HB2 HIS A 88 -0.205 -13.746 3.354 1.00 0.65 H new ATOM 0 HB3 HIS A 88 -0.525 -15.469 3.361 1.00 0.65 H new ATOM 0 HD2 HIS A 88 2.604 -13.109 3.926 1.00 2.40 H new ATOM 0 HE1 HIS A 88 3.212 -16.765 5.980 1.00 3.25 H new ATOM 0 HE2 HIS A 88 4.147 -14.438 5.551 1.00 3.26 H new ATOM 1433 N THR A 89 0.209 -16.779 0.204 1.00 0.73 N ATOM 1434 CA THR A 89 0.611 -18.060 -0.332 1.00 0.81 C ATOM 1435 C THR A 89 1.970 -17.911 -1.016 1.00 0.72 C ATOM 1436 O THR A 89 2.871 -18.722 -0.803 1.00 1.05 O ATOM 1437 CB THR A 89 -0.440 -18.617 -1.325 1.00 0.97 C ATOM 1438 OG1 THR A 89 0.045 -19.813 -1.946 1.00 1.26 O ATOM 1439 CG2 THR A 89 -0.798 -17.592 -2.397 1.00 0.89 C ATOM 0 H THR A 89 -0.612 -16.370 -0.243 1.00 0.73 H new ATOM 0 HA THR A 89 0.688 -18.774 0.488 1.00 0.81 H new ATOM 0 HB THR A 89 -1.341 -18.843 -0.755 1.00 0.97 H new ATOM 0 HG1 THR A 89 0.802 -19.595 -2.529 1.00 1.26 H new ATOM 0 HG21 THR A 89 -1.537 -18.018 -3.075 1.00 0.89 H new ATOM 0 HG22 THR A 89 -1.210 -16.700 -1.925 1.00 0.89 H new ATOM 0 HG23 THR A 89 0.097 -17.325 -2.958 1.00 0.89 H new ATOM 1447 N HIS A 90 2.090 -16.834 -1.805 1.00 0.65 N ATOM 1448 CA HIS A 90 3.306 -16.444 -2.514 1.00 0.64 C ATOM 1449 C HIS A 90 2.929 -15.552 -3.686 1.00 0.93 C ATOM 1450 O HIS A 90 2.674 -16.023 -4.791 1.00 1.77 O ATOM 1451 CB HIS A 90 4.178 -17.627 -3.010 1.00 0.91 C ATOM 1452 CG HIS A 90 3.520 -18.594 -3.963 1.00 1.72 C ATOM 1453 ND1 HIS A 90 2.663 -19.593 -3.556 1.00 2.44 N ATOM 1454 CD2 HIS A 90 3.622 -18.722 -5.310 1.00 2.68 C ATOM 1455 CE1 HIS A 90 2.269 -20.287 -4.604 1.00 3.33 C ATOM 1456 NE2 HIS A 90 2.835 -19.780 -5.679 1.00 3.47 N ATOM 0 H HIS A 90 1.314 -16.192 -1.969 1.00 0.65 H new ATOM 0 HA HIS A 90 3.926 -15.914 -1.790 1.00 0.64 H new ATOM 0 HB2 HIS A 90 5.064 -17.218 -3.496 1.00 0.91 H new ATOM 0 HB3 HIS A 90 4.522 -18.186 -2.140 1.00 0.91 H new ATOM 0 HD2 HIS A 90 4.214 -18.104 -5.969 1.00 2.68 H new ATOM 0 HE1 HIS A 90 1.595 -21.130 -4.585 1.00 3.33 H new ATOM 0 HE2 HIS A 90 2.708 -20.120 -6.632 1.00 3.47 H new ATOM 1465 N LYS A 91 2.835 -14.259 -3.429 1.00 0.91 N ATOM 1466 CA LYS A 91 2.644 -13.301 -4.511 1.00 1.63 C ATOM 1467 C LYS A 91 3.757 -13.472 -5.539 1.00 2.59 C ATOM 1468 O LYS A 91 3.537 -13.305 -6.738 1.00 3.47 O ATOM 1469 CB LYS A 91 2.642 -11.862 -3.994 1.00 1.09 C ATOM 1470 CG LYS A 91 2.316 -10.842 -5.078 1.00 1.28 C ATOM 1471 CD LYS A 91 3.320 -9.701 -5.105 1.00 0.87 C ATOM 1472 CE LYS A 91 4.667 -10.162 -5.633 1.00 0.78 C ATOM 1473 NZ LYS A 91 4.618 -10.474 -7.089 1.00 1.28 N ATOM 0 H LYS A 91 2.886 -13.850 -2.496 1.00 0.91 H new ATOM 0 HA LYS A 91 1.674 -13.495 -4.969 1.00 1.63 H new ATOM 0 HB2 LYS A 91 1.914 -11.772 -3.187 1.00 1.09 H new ATOM 0 HB3 LYS A 91 3.619 -11.633 -3.569 1.00 1.09 H new ATOM 0 HG2 LYS A 91 2.303 -11.337 -6.049 1.00 1.28 H new ATOM 0 HG3 LYS A 91 1.316 -10.442 -4.910 1.00 1.28 H new ATOM 0 HD2 LYS A 91 2.939 -8.894 -5.730 1.00 0.87 H new ATOM 0 HD3 LYS A 91 3.440 -9.296 -4.100 1.00 0.87 H new ATOM 0 HE2 LYS A 91 5.412 -9.387 -5.453 1.00 0.78 H new ATOM 0 HE3 LYS A 91 4.989 -11.047 -5.083 1.00 0.78 H new ATOM 0 HZ1 LYS A 91 5.502 -10.163 -7.541 1.00 1.28 H new ATOM 0 HZ2 LYS A 91 4.504 -11.499 -7.221 1.00 1.28 H new ATOM 0 HZ3 LYS A 91 3.814 -9.978 -7.523 1.00 1.28 H new ATOM 1487 N GLU A 92 4.952 -13.803 -5.039 1.00 2.69 N ATOM 1488 CA GLU A 92 6.108 -14.101 -5.879 1.00 3.81 C ATOM 1489 C GLU A 92 6.518 -12.880 -6.695 1.00 4.36 C ATOM 1490 O GLU A 92 6.051 -12.725 -7.842 1.00 4.92 O ATOM 1491 CB GLU A 92 5.808 -15.300 -6.784 1.00 4.66 C ATOM 1492 CG GLU A 92 6.990 -15.760 -7.619 1.00 5.75 C ATOM 1493 CD GLU A 92 6.692 -17.037 -8.372 1.00 6.58 C ATOM 1494 OE1 GLU A 92 6.027 -16.970 -9.426 1.00 7.00 O ATOM 1495 OE2 GLU A 92 7.115 -18.117 -7.909 1.00 7.09 O ATOM 1496 OXT GLU A 92 7.293 -12.062 -6.170 1.00 4.64 O ATOM 0 H GLU A 92 5.141 -13.871 -4.039 1.00 2.69 H new ATOM 0 HA GLU A 92 6.948 -14.361 -5.235 1.00 3.81 H new ATOM 0 HB2 GLU A 92 5.468 -16.131 -6.166 1.00 4.66 H new ATOM 0 HB3 GLU A 92 4.985 -15.041 -7.451 1.00 4.66 H new ATOM 0 HG2 GLU A 92 7.260 -14.977 -8.327 1.00 5.75 H new ATOM 0 HG3 GLU A 92 7.853 -15.915 -6.971 1.00 5.75 H new TER 1503 GLU A 92 ATOM 1504 N MET B 1 8.683 3.273 15.409 1.00 4.70 N ATOM 1505 CA MET B 1 9.501 3.063 14.190 1.00 4.22 C ATOM 1506 C MET B 1 9.257 1.676 13.610 1.00 3.60 C ATOM 1507 O MET B 1 8.602 1.528 12.580 1.00 4.04 O ATOM 1508 CB MET B 1 10.993 3.228 14.499 1.00 4.51 C ATOM 1509 CG MET B 1 11.388 4.635 14.919 1.00 5.00 C ATOM 1510 SD MET B 1 13.140 4.775 15.324 1.00 5.79 S ATOM 1511 CE MET B 1 13.260 3.674 16.734 1.00 6.42 C ATOM 0 H1 MET B 1 8.732 4.273 15.692 1.00 4.70 H new ATOM 0 H2 MET B 1 7.695 3.017 15.212 1.00 4.70 H new ATOM 0 H3 MET B 1 9.048 2.677 16.179 1.00 4.70 H new ATOM 0 HA MET B 1 9.203 3.815 13.459 1.00 4.22 H new ATOM 0 HB2 MET B 1 11.268 2.533 15.292 1.00 4.51 H new ATOM 0 HB3 MET B 1 11.569 2.949 13.617 1.00 4.51 H new ATOM 0 HG2 MET B 1 11.149 5.330 14.115 1.00 5.00 H new ATOM 0 HG3 MET B 1 10.795 4.932 15.784 1.00 5.00 H new ATOM 0 HE1 MET B 1 14.156 3.913 17.307 1.00 6.42 H new ATOM 0 HE2 MET B 1 12.381 3.797 17.367 1.00 6.42 H new ATOM 0 HE3 MET B 1 13.315 2.642 16.386 1.00 6.42 H new ATOM 1523 N THR B 2 9.780 0.662 14.285 1.00 3.07 N ATOM 1524 CA THR B 2 9.665 -0.709 13.824 1.00 2.91 C ATOM 1525 C THR B 2 8.273 -1.266 14.099 1.00 2.45 C ATOM 1526 O THR B 2 7.855 -1.384 15.253 1.00 3.04 O ATOM 1527 CB THR B 2 10.721 -1.604 14.503 1.00 3.67 C ATOM 1528 OG1 THR B 2 12.036 -1.118 14.195 1.00 4.26 O ATOM 1529 CG2 THR B 2 10.591 -3.054 14.052 1.00 4.23 C ATOM 0 H THR B 2 10.292 0.768 15.161 1.00 3.07 H new ATOM 0 HA THR B 2 9.836 -0.708 12.747 1.00 2.91 H new ATOM 0 HB THR B 2 10.556 -1.567 15.580 1.00 3.67 H new ATOM 0 HG1 THR B 2 12.228 -1.273 13.247 1.00 4.26 H new ATOM 0 HG21 THR B 2 11.350 -3.659 14.549 1.00 4.23 H new ATOM 0 HG22 THR B 2 9.601 -3.428 14.312 1.00 4.23 H new ATOM 0 HG23 THR B 2 10.729 -3.113 12.972 1.00 4.23 H new ATOM 1537 N LYS B 3 7.554 -1.582 13.035 1.00 2.16 N ATOM 1538 CA LYS B 3 6.245 -2.208 13.157 1.00 2.53 C ATOM 1539 C LYS B 3 6.241 -3.538 12.421 1.00 2.08 C ATOM 1540 O LYS B 3 5.199 -4.183 12.277 1.00 2.81 O ATOM 1541 CB LYS B 3 5.148 -1.279 12.629 1.00 3.53 C ATOM 1542 CG LYS B 3 4.987 -0.019 13.465 1.00 4.29 C ATOM 1543 CD LYS B 3 3.873 0.875 12.950 1.00 5.37 C ATOM 1544 CE LYS B 3 3.727 2.115 13.819 1.00 5.97 C ATOM 1545 NZ LYS B 3 2.700 3.052 13.296 1.00 6.04 N ATOM 0 H LYS B 3 7.854 -1.416 12.074 1.00 2.16 H new ATOM 0 HA LYS B 3 6.037 -2.395 14.211 1.00 2.53 H new ATOM 0 HB2 LYS B 3 5.379 -1.000 11.601 1.00 3.53 H new ATOM 0 HB3 LYS B 3 4.201 -1.818 12.608 1.00 3.53 H new ATOM 0 HG2 LYS B 3 4.780 -0.295 14.499 1.00 4.29 H new ATOM 0 HG3 LYS B 3 5.925 0.536 13.466 1.00 4.29 H new ATOM 0 HD2 LYS B 3 4.083 1.169 11.922 1.00 5.37 H new ATOM 0 HD3 LYS B 3 2.934 0.322 12.938 1.00 5.37 H new ATOM 0 HE2 LYS B 3 3.460 1.816 14.833 1.00 5.97 H new ATOM 0 HE3 LYS B 3 4.687 2.628 13.880 1.00 5.97 H new ATOM 0 HZ1 LYS B 3 2.998 4.031 13.480 1.00 6.04 H new ATOM 0 HZ2 LYS B 3 2.590 2.910 12.272 1.00 6.04 H new ATOM 0 HZ3 LYS B 3 1.792 2.872 13.770 1.00 6.04 H new ATOM 1559 N LEU B 4 7.426 -3.924 11.954 1.00 1.61 N ATOM 1560 CA LEU B 4 7.657 -5.214 11.316 1.00 1.98 C ATOM 1561 C LEU B 4 6.766 -5.389 10.083 1.00 1.51 C ATOM 1562 O LEU B 4 7.019 -4.792 9.041 1.00 2.03 O ATOM 1563 CB LEU B 4 7.448 -6.358 12.319 1.00 3.02 C ATOM 1564 CG LEU B 4 8.051 -7.703 11.915 1.00 3.80 C ATOM 1565 CD1 LEU B 4 9.566 -7.651 11.993 1.00 4.50 C ATOM 1566 CD2 LEU B 4 7.507 -8.818 12.793 1.00 4.44 C ATOM 0 H LEU B 4 8.262 -3.342 12.010 1.00 1.61 H new ATOM 0 HA LEU B 4 8.693 -5.245 10.978 1.00 1.98 H new ATOM 0 HB2 LEU B 4 7.875 -6.061 13.277 1.00 3.02 H new ATOM 0 HB3 LEU B 4 6.377 -6.491 12.474 1.00 3.02 H new ATOM 0 HG LEU B 4 7.767 -7.912 10.883 1.00 3.80 H new ATOM 0 HD11 LEU B 4 9.979 -8.617 11.702 1.00 4.50 H new ATOM 0 HD12 LEU B 4 9.939 -6.879 11.319 1.00 4.50 H new ATOM 0 HD13 LEU B 4 9.870 -7.419 13.014 1.00 4.50 H new ATOM 0 HD21 LEU B 4 7.948 -9.768 12.490 1.00 4.44 H new ATOM 0 HD22 LEU B 4 7.759 -8.617 13.834 1.00 4.44 H new ATOM 0 HD23 LEU B 4 6.424 -8.870 12.685 1.00 4.44 H new ATOM 1578 N GLU B 5 5.710 -6.175 10.202 1.00 1.20 N ATOM 1579 CA GLU B 5 4.814 -6.404 9.082 1.00 0.94 C ATOM 1580 C GLU B 5 3.368 -6.154 9.478 1.00 0.69 C ATOM 1581 O GLU B 5 2.442 -6.435 8.712 1.00 0.69 O ATOM 1582 CB GLU B 5 5.004 -7.820 8.525 1.00 1.39 C ATOM 1583 CG GLU B 5 5.384 -8.866 9.567 1.00 1.80 C ATOM 1584 CD GLU B 5 4.253 -9.229 10.503 1.00 2.48 C ATOM 1585 OE1 GLU B 5 3.931 -8.424 11.401 1.00 3.10 O ATOM 1586 OE2 GLU B 5 3.690 -10.333 10.352 1.00 3.00 O ATOM 0 H GLU B 5 5.453 -6.664 11.060 1.00 1.20 H new ATOM 0 HA GLU B 5 5.063 -5.694 8.293 1.00 0.94 H new ATOM 0 HB2 GLU B 5 4.080 -8.131 8.037 1.00 1.39 H new ATOM 0 HB3 GLU B 5 5.777 -7.794 7.757 1.00 1.39 H new ATOM 0 HG2 GLU B 5 5.725 -9.767 9.057 1.00 1.80 H new ATOM 0 HG3 GLU B 5 6.224 -8.494 10.153 1.00 1.80 H new ATOM 1593 N GLU B 6 3.186 -5.572 10.660 1.00 0.68 N ATOM 1594 CA GLU B 6 1.855 -5.276 11.173 1.00 0.67 C ATOM 1595 C GLU B 6 1.167 -4.235 10.298 1.00 0.54 C ATOM 1596 O GLU B 6 -0.049 -4.093 10.317 1.00 0.60 O ATOM 1597 CB GLU B 6 1.931 -4.769 12.614 1.00 0.78 C ATOM 1598 CG GLU B 6 0.574 -4.678 13.291 1.00 1.06 C ATOM 1599 CD GLU B 6 0.609 -3.888 14.579 1.00 1.78 C ATOM 1600 OE1 GLU B 6 1.027 -4.448 15.614 1.00 2.48 O ATOM 1601 OE2 GLU B 6 0.193 -2.710 14.567 1.00 2.51 O ATOM 0 H GLU B 6 3.947 -5.296 11.281 1.00 0.68 H new ATOM 0 HA GLU B 6 1.273 -6.198 11.155 1.00 0.67 H new ATOM 0 HB2 GLU B 6 2.574 -5.433 13.192 1.00 0.78 H new ATOM 0 HB3 GLU B 6 2.400 -3.785 12.621 1.00 0.78 H new ATOM 0 HG2 GLU B 6 -0.137 -4.215 12.607 1.00 1.06 H new ATOM 0 HG3 GLU B 6 0.209 -5.684 13.498 1.00 1.06 H new ATOM 1608 N HIS B 7 1.954 -3.507 9.524 1.00 0.42 N ATOM 1609 CA HIS B 7 1.411 -2.481 8.651 1.00 0.38 C ATOM 1610 C HIS B 7 0.881 -3.087 7.352 1.00 0.35 C ATOM 1611 O HIS B 7 -0.026 -2.538 6.736 1.00 0.39 O ATOM 1612 CB HIS B 7 2.435 -1.365 8.371 1.00 0.43 C ATOM 1613 CG HIS B 7 3.842 -1.821 8.089 1.00 0.95 C ATOM 1614 ND1 HIS B 7 4.387 -1.869 6.821 1.00 1.73 N ATOM 1615 CD2 HIS B 7 4.837 -2.191 8.933 1.00 1.60 C ATOM 1616 CE1 HIS B 7 5.654 -2.247 6.904 1.00 2.16 C ATOM 1617 NE2 HIS B 7 5.947 -2.445 8.173 1.00 2.03 N ATOM 0 H HIS B 7 2.968 -3.607 9.482 1.00 0.42 H new ATOM 0 HA HIS B 7 0.572 -2.022 9.174 1.00 0.38 H new ATOM 0 HB2 HIS B 7 2.085 -0.782 7.519 1.00 0.43 H new ATOM 0 HB3 HIS B 7 2.456 -0.694 9.230 1.00 0.43 H new ATOM 0 HD2 HIS B 7 4.767 -2.271 10.008 1.00 1.60 H new ATOM 0 HE1 HIS B 7 6.332 -2.372 6.072 1.00 2.16 H new ATOM 0 HE2 HIS B 7 6.855 -2.740 8.532 1.00 2.03 H new ATOM 1626 N LEU B 8 1.421 -4.236 6.957 1.00 0.34 N ATOM 1627 CA LEU B 8 0.959 -4.904 5.744 1.00 0.33 C ATOM 1628 C LEU B 8 -0.284 -5.724 6.030 1.00 0.34 C ATOM 1629 O LEU B 8 -1.353 -5.455 5.486 1.00 0.34 O ATOM 1630 CB LEU B 8 2.049 -5.802 5.182 1.00 0.33 C ATOM 1631 CG LEU B 8 3.350 -5.081 4.854 1.00 0.33 C ATOM 1632 CD1 LEU B 8 4.345 -6.041 4.249 1.00 0.33 C ATOM 1633 CD2 LEU B 8 3.102 -3.904 3.922 1.00 0.33 C ATOM 0 H LEU B 8 2.170 -4.720 7.452 1.00 0.34 H new ATOM 0 HA LEU B 8 0.716 -4.139 5.006 1.00 0.33 H new ATOM 0 HB2 LEU B 8 2.258 -6.594 5.902 1.00 0.33 H new ATOM 0 HB3 LEU B 8 1.676 -6.283 4.278 1.00 0.33 H new ATOM 0 HG LEU B 8 3.766 -4.690 5.782 1.00 0.33 H new ATOM 0 HD11 LEU B 8 5.269 -5.511 4.020 1.00 0.33 H new ATOM 0 HD12 LEU B 8 4.553 -6.844 4.957 1.00 0.33 H new ATOM 0 HD13 LEU B 8 3.932 -6.463 3.333 1.00 0.33 H new ATOM 0 HD21 LEU B 8 4.047 -3.407 3.704 1.00 0.33 H new ATOM 0 HD22 LEU B 8 2.658 -4.263 2.993 1.00 0.33 H new ATOM 0 HD23 LEU B 8 2.423 -3.198 4.400 1.00 0.33 H new ATOM 1645 N GLU B 9 -0.159 -6.707 6.915 1.00 0.37 N ATOM 1646 CA GLU B 9 -1.304 -7.522 7.277 1.00 0.40 C ATOM 1647 C GLU B 9 -2.314 -6.685 8.046 1.00 0.40 C ATOM 1648 O GLU B 9 -3.499 -7.018 8.109 1.00 0.42 O ATOM 1649 CB GLU B 9 -0.896 -8.759 8.082 1.00 0.48 C ATOM 1650 CG GLU B 9 -0.124 -9.783 7.264 1.00 1.24 C ATOM 1651 CD GLU B 9 -0.111 -11.157 7.901 1.00 1.72 C ATOM 1652 OE1 GLU B 9 -1.176 -11.811 7.931 1.00 2.16 O ATOM 1653 OE2 GLU B 9 0.957 -11.594 8.370 1.00 2.41 O ATOM 0 H GLU B 9 0.711 -6.953 7.387 1.00 0.37 H new ATOM 0 HA GLU B 9 -1.765 -7.880 6.356 1.00 0.40 H new ATOM 0 HB2 GLU B 9 -0.286 -8.447 8.930 1.00 0.48 H new ATOM 0 HB3 GLU B 9 -1.791 -9.230 8.489 1.00 0.48 H new ATOM 0 HG2 GLU B 9 -0.565 -9.853 6.270 1.00 1.24 H new ATOM 0 HG3 GLU B 9 0.902 -9.438 7.134 1.00 1.24 H new ATOM 1660 N GLY B 10 -1.829 -5.593 8.627 1.00 0.41 N ATOM 1661 CA GLY B 10 -2.695 -4.650 9.298 1.00 0.43 C ATOM 1662 C GLY B 10 -3.680 -4.003 8.350 1.00 0.39 C ATOM 1663 O GLY B 10 -4.885 -4.056 8.578 1.00 0.44 O ATOM 0 H GLY B 10 -0.840 -5.345 8.643 1.00 0.41 H new ATOM 0 HA2 GLY B 10 -3.240 -5.161 10.092 1.00 0.43 H new ATOM 0 HA3 GLY B 10 -2.090 -3.878 9.773 1.00 0.43 H new ATOM 1667 N ILE B 11 -3.175 -3.408 7.271 1.00 0.34 N ATOM 1668 CA ILE B 11 -4.045 -2.795 6.274 1.00 0.33 C ATOM 1669 C ILE B 11 -4.972 -3.843 5.665 1.00 0.33 C ATOM 1670 O ILE B 11 -6.147 -3.579 5.401 1.00 0.38 O ATOM 1671 CB ILE B 11 -3.231 -2.099 5.158 1.00 0.36 C ATOM 1672 CG1 ILE B 11 -2.453 -0.914 5.734 1.00 0.41 C ATOM 1673 CG2 ILE B 11 -4.143 -1.640 4.028 1.00 0.50 C ATOM 1674 CD1 ILE B 11 -1.623 -0.172 4.709 1.00 1.16 C ATOM 0 H ILE B 11 -2.178 -3.338 7.067 1.00 0.34 H new ATOM 0 HA ILE B 11 -4.641 -2.035 6.779 1.00 0.33 H new ATOM 0 HB ILE B 11 -2.522 -2.819 4.749 1.00 0.36 H new ATOM 0 HG12 ILE B 11 -3.156 -0.218 6.191 1.00 0.41 H new ATOM 0 HG13 ILE B 11 -1.798 -1.273 6.528 1.00 0.41 H new ATOM 0 HG21 ILE B 11 -3.548 -1.154 3.255 1.00 0.50 H new ATOM 0 HG22 ILE B 11 -4.657 -2.502 3.602 1.00 0.50 H new ATOM 0 HG23 ILE B 11 -4.878 -0.936 4.417 1.00 0.50 H new ATOM 0 HD11 ILE B 11 -1.101 0.654 5.192 1.00 1.16 H new ATOM 0 HD12 ILE B 11 -0.895 -0.853 4.268 1.00 1.16 H new ATOM 0 HD13 ILE B 11 -2.274 0.218 3.927 1.00 1.16 H new ATOM 1686 N VAL B 12 -4.437 -5.042 5.482 1.00 0.33 N ATOM 1687 CA VAL B 12 -5.202 -6.148 4.922 1.00 0.38 C ATOM 1688 C VAL B 12 -6.406 -6.518 5.795 1.00 0.40 C ATOM 1689 O VAL B 12 -7.527 -6.616 5.295 1.00 0.46 O ATOM 1690 CB VAL B 12 -4.298 -7.375 4.705 1.00 0.45 C ATOM 1691 CG1 VAL B 12 -5.106 -8.612 4.358 1.00 0.57 C ATOM 1692 CG2 VAL B 12 -3.297 -7.080 3.606 1.00 0.48 C ATOM 0 H VAL B 12 -3.471 -5.275 5.714 1.00 0.33 H new ATOM 0 HA VAL B 12 -5.589 -5.817 3.958 1.00 0.38 H new ATOM 0 HB VAL B 12 -3.771 -7.578 5.638 1.00 0.45 H new ATOM 0 HG11 VAL B 12 -4.433 -9.457 4.212 1.00 0.57 H new ATOM 0 HG12 VAL B 12 -5.798 -8.835 5.171 1.00 0.57 H new ATOM 0 HG13 VAL B 12 -5.669 -8.434 3.442 1.00 0.57 H new ATOM 0 HG21 VAL B 12 -2.658 -7.949 3.453 1.00 0.48 H new ATOM 0 HG22 VAL B 12 -3.828 -6.853 2.681 1.00 0.48 H new ATOM 0 HG23 VAL B 12 -2.684 -6.225 3.892 1.00 0.48 H new ATOM 1702 N ASN B 13 -6.193 -6.699 7.098 1.00 0.42 N ATOM 1703 CA ASN B 13 -7.299 -7.071 7.979 1.00 0.49 C ATOM 1704 C ASN B 13 -8.215 -5.873 8.212 1.00 0.48 C ATOM 1705 O ASN B 13 -9.392 -6.032 8.529 1.00 0.59 O ATOM 1706 CB ASN B 13 -6.809 -7.655 9.318 1.00 0.62 C ATOM 1707 CG ASN B 13 -6.333 -6.614 10.316 1.00 0.75 C ATOM 1708 OD1 ASN B 13 -7.127 -6.038 11.061 1.00 1.31 O ATOM 1709 ND2 ASN B 13 -5.033 -6.393 10.370 1.00 1.42 N ATOM 0 H ASN B 13 -5.288 -6.597 7.558 1.00 0.42 H new ATOM 0 HA ASN B 13 -7.864 -7.858 7.480 1.00 0.49 H new ATOM 0 HB2 ASN B 13 -7.618 -8.230 9.768 1.00 0.62 H new ATOM 0 HB3 ASN B 13 -5.994 -8.352 9.121 1.00 0.62 H new ATOM 0 HD21 ASN B 13 -4.657 -5.727 11.045 1.00 1.42 H new ATOM 0 HD22 ASN B 13 -4.405 -6.888 9.737 1.00 1.42 H new ATOM 1716 N ILE B 14 -7.673 -4.672 8.037 1.00 0.48 N ATOM 1717 CA ILE B 14 -8.473 -3.456 8.093 1.00 0.57 C ATOM 1718 C ILE B 14 -9.500 -3.448 6.964 1.00 0.53 C ATOM 1719 O ILE B 14 -10.686 -3.203 7.194 1.00 0.61 O ATOM 1720 CB ILE B 14 -7.585 -2.189 8.025 1.00 0.68 C ATOM 1721 CG1 ILE B 14 -6.915 -1.951 9.381 1.00 1.33 C ATOM 1722 CG2 ILE B 14 -8.387 -0.965 7.598 1.00 1.13 C ATOM 1723 CD1 ILE B 14 -5.962 -0.777 9.397 1.00 2.06 C ATOM 0 H ILE B 14 -6.682 -4.516 7.855 1.00 0.48 H new ATOM 0 HA ILE B 14 -8.996 -3.443 9.049 1.00 0.57 H new ATOM 0 HB ILE B 14 -6.816 -2.352 7.270 1.00 0.68 H new ATOM 0 HG12 ILE B 14 -7.687 -1.790 10.133 1.00 1.33 H new ATOM 0 HG13 ILE B 14 -6.372 -2.851 9.670 1.00 1.33 H new ATOM 0 HG21 ILE B 14 -7.731 -0.095 7.561 1.00 1.13 H new ATOM 0 HG22 ILE B 14 -8.816 -1.138 6.611 1.00 1.13 H new ATOM 0 HG23 ILE B 14 -9.188 -0.786 8.316 1.00 1.13 H new ATOM 0 HD11 ILE B 14 -5.528 -0.674 10.392 1.00 2.06 H new ATOM 0 HD12 ILE B 14 -5.167 -0.944 8.670 1.00 2.06 H new ATOM 0 HD13 ILE B 14 -6.503 0.134 9.141 1.00 2.06 H new ATOM 1735 N PHE B 15 -9.048 -3.757 5.752 1.00 0.48 N ATOM 1736 CA PHE B 15 -9.943 -3.825 4.605 1.00 0.59 C ATOM 1737 C PHE B 15 -10.984 -4.918 4.822 1.00 0.61 C ATOM 1738 O PHE B 15 -12.160 -4.740 4.520 1.00 0.70 O ATOM 1739 CB PHE B 15 -9.148 -4.090 3.324 1.00 0.69 C ATOM 1740 CG PHE B 15 -9.980 -4.074 2.070 1.00 1.18 C ATOM 1741 CD1 PHE B 15 -10.798 -2.995 1.779 1.00 1.75 C ATOM 1742 CD2 PHE B 15 -9.938 -5.134 1.181 1.00 1.93 C ATOM 1743 CE1 PHE B 15 -11.559 -2.974 0.625 1.00 2.35 C ATOM 1744 CE2 PHE B 15 -10.694 -5.118 0.026 1.00 2.54 C ATOM 1745 CZ PHE B 15 -11.506 -4.037 -0.253 1.00 2.58 C ATOM 0 H PHE B 15 -8.072 -3.963 5.541 1.00 0.48 H new ATOM 0 HA PHE B 15 -10.455 -2.868 4.500 1.00 0.59 H new ATOM 0 HB2 PHE B 15 -8.362 -3.340 3.235 1.00 0.69 H new ATOM 0 HB3 PHE B 15 -8.656 -5.059 3.408 1.00 0.69 H new ATOM 0 HD1 PHE B 15 -10.842 -2.160 2.462 1.00 1.75 H new ATOM 0 HD2 PHE B 15 -9.306 -5.984 1.393 1.00 1.93 H new ATOM 0 HE1 PHE B 15 -12.194 -2.127 0.411 1.00 2.35 H new ATOM 0 HE2 PHE B 15 -10.650 -5.951 -0.659 1.00 2.54 H new ATOM 0 HZ PHE B 15 -12.098 -4.023 -1.156 1.00 2.58 H new ATOM 1755 N HIS B 16 -10.542 -6.032 5.387 1.00 0.60 N ATOM 1756 CA HIS B 16 -11.421 -7.162 5.668 1.00 0.72 C ATOM 1757 C HIS B 16 -12.487 -6.789 6.706 1.00 0.75 C ATOM 1758 O HIS B 16 -13.569 -7.374 6.737 1.00 0.88 O ATOM 1759 CB HIS B 16 -10.584 -8.346 6.170 1.00 0.77 C ATOM 1760 CG HIS B 16 -11.357 -9.622 6.337 1.00 1.16 C ATOM 1761 ND1 HIS B 16 -11.786 -10.089 7.559 1.00 1.82 N ATOM 1762 CD2 HIS B 16 -11.757 -10.538 5.424 1.00 1.85 C ATOM 1763 CE1 HIS B 16 -12.415 -11.237 7.392 1.00 2.22 C ATOM 1764 NE2 HIS B 16 -12.412 -11.532 6.105 1.00 2.23 N ATOM 0 H HIS B 16 -9.571 -6.180 5.663 1.00 0.60 H new ATOM 0 HA HIS B 16 -11.935 -7.441 4.748 1.00 0.72 H new ATOM 0 HB2 HIS B 16 -9.766 -8.519 5.471 1.00 0.77 H new ATOM 0 HB3 HIS B 16 -10.135 -8.079 7.127 1.00 0.77 H new ATOM 0 HD2 HIS B 16 -11.591 -10.494 4.358 1.00 1.85 H new ATOM 0 HE1 HIS B 16 -12.857 -11.834 8.176 1.00 2.22 H new ATOM 0 HE2 HIS B 16 -12.829 -12.363 5.686 1.00 2.23 H new ATOM 1773 N GLN B 17 -12.173 -5.811 7.548 1.00 0.70 N ATOM 1774 CA GLN B 17 -13.068 -5.412 8.627 1.00 0.82 C ATOM 1775 C GLN B 17 -14.093 -4.374 8.167 1.00 0.93 C ATOM 1776 O GLN B 17 -15.274 -4.473 8.502 1.00 1.18 O ATOM 1777 CB GLN B 17 -12.265 -4.858 9.807 1.00 0.85 C ATOM 1778 CG GLN B 17 -13.122 -4.465 11.002 1.00 1.27 C ATOM 1779 CD GLN B 17 -13.881 -5.638 11.593 1.00 1.99 C ATOM 1780 OE1 GLN B 17 -13.387 -6.325 12.486 1.00 2.60 O ATOM 1781 NE2 GLN B 17 -15.084 -5.880 11.098 1.00 2.77 N ATOM 0 H GLN B 17 -11.304 -5.279 7.504 1.00 0.70 H new ATOM 0 HA GLN B 17 -13.612 -6.303 8.941 1.00 0.82 H new ATOM 0 HB2 GLN B 17 -11.538 -5.606 10.123 1.00 0.85 H new ATOM 0 HB3 GLN B 17 -11.701 -3.987 9.474 1.00 0.85 H new ATOM 0 HG2 GLN B 17 -12.486 -4.026 11.770 1.00 1.27 H new ATOM 0 HG3 GLN B 17 -13.831 -3.696 10.697 1.00 1.27 H new ATOM 0 HE21 GLN B 17 -15.459 -5.287 10.358 1.00 2.77 H new ATOM 0 HE22 GLN B 17 -15.636 -6.659 11.457 1.00 2.77 H new ATOM 1790 N TYR B 18 -13.647 -3.380 7.408 1.00 0.85 N ATOM 1791 CA TYR B 18 -14.531 -2.297 6.996 1.00 1.08 C ATOM 1792 C TYR B 18 -15.262 -2.666 5.719 1.00 1.34 C ATOM 1793 O TYR B 18 -16.321 -2.118 5.417 1.00 1.77 O ATOM 1794 CB TYR B 18 -13.749 -1.000 6.794 1.00 1.22 C ATOM 1795 CG TYR B 18 -13.176 -0.415 8.068 1.00 2.34 C ATOM 1796 CD1 TYR B 18 -13.962 0.355 8.912 1.00 3.14 C ATOM 1797 CD2 TYR B 18 -11.848 -0.620 8.418 1.00 3.25 C ATOM 1798 CE1 TYR B 18 -13.443 0.903 10.070 1.00 4.38 C ATOM 1799 CE2 TYR B 18 -11.322 -0.073 9.573 1.00 4.48 C ATOM 1800 CZ TYR B 18 -12.123 0.688 10.394 1.00 4.93 C ATOM 1801 OH TYR B 18 -11.599 1.242 11.539 1.00 6.25 O ATOM 0 H TYR B 18 -12.688 -3.301 7.068 1.00 0.85 H new ATOM 0 HA TYR B 18 -15.262 -2.139 7.789 1.00 1.08 H new ATOM 0 HB2 TYR B 18 -12.934 -1.186 6.094 1.00 1.22 H new ATOM 0 HB3 TYR B 18 -14.404 -0.262 6.331 1.00 1.22 H new ATOM 0 HD1 TYR B 18 -14.998 0.530 8.660 1.00 3.14 H new ATOM 0 HD2 TYR B 18 -11.216 -1.217 7.777 1.00 3.25 H new ATOM 0 HE1 TYR B 18 -14.071 1.497 10.718 1.00 4.38 H new ATOM 0 HE2 TYR B 18 -10.287 -0.242 9.830 1.00 4.48 H new ATOM 0 HH TYR B 18 -10.871 1.854 11.303 1.00 6.25 H new ATOM 1811 N SER B 19 -14.684 -3.585 4.969 1.00 1.32 N ATOM 1812 CA SER B 19 -15.316 -4.106 3.779 1.00 1.78 C ATOM 1813 C SER B 19 -15.643 -5.575 3.986 1.00 1.86 C ATOM 1814 O SER B 19 -14.871 -6.466 3.622 1.00 2.32 O ATOM 1815 CB SER B 19 -14.406 -3.900 2.571 1.00 2.38 C ATOM 1816 OG SER B 19 -14.022 -2.538 2.467 1.00 3.02 O ATOM 0 H SER B 19 -13.768 -3.987 5.169 1.00 1.32 H new ATOM 0 HA SER B 19 -16.246 -3.570 3.587 1.00 1.78 H new ATOM 0 HB2 SER B 19 -13.520 -4.528 2.664 1.00 2.38 H new ATOM 0 HB3 SER B 19 -14.922 -4.209 1.662 1.00 2.38 H new ATOM 0 HG SER B 19 -13.173 -2.474 1.982 1.00 3.02 H new ATOM 1822 N VAL B 20 -16.792 -5.815 4.590 1.00 2.11 N ATOM 1823 CA VAL B 20 -17.176 -7.152 4.996 1.00 2.49 C ATOM 1824 C VAL B 20 -18.426 -7.617 4.251 1.00 2.64 C ATOM 1825 O VAL B 20 -18.634 -8.815 4.057 1.00 3.25 O ATOM 1826 CB VAL B 20 -17.407 -7.214 6.527 1.00 3.30 C ATOM 1827 CG1 VAL B 20 -18.512 -6.260 6.956 1.00 3.90 C ATOM 1828 CG2 VAL B 20 -17.715 -8.635 6.976 1.00 4.12 C ATOM 0 H VAL B 20 -17.479 -5.095 4.811 1.00 2.11 H new ATOM 0 HA VAL B 20 -16.358 -7.825 4.740 1.00 2.49 H new ATOM 0 HB VAL B 20 -16.484 -6.898 7.014 1.00 3.30 H new ATOM 0 HG11 VAL B 20 -18.651 -6.326 8.035 1.00 3.90 H new ATOM 0 HG12 VAL B 20 -18.237 -5.240 6.687 1.00 3.90 H new ATOM 0 HG13 VAL B 20 -19.441 -6.530 6.453 1.00 3.90 H new ATOM 0 HG21 VAL B 20 -17.873 -8.650 8.054 1.00 4.12 H new ATOM 0 HG22 VAL B 20 -18.615 -8.989 6.473 1.00 4.12 H new ATOM 0 HG23 VAL B 20 -16.878 -9.286 6.723 1.00 4.12 H new ATOM 1838 N ARG B 21 -19.248 -6.673 3.809 1.00 2.81 N ATOM 1839 CA ARG B 21 -20.493 -7.026 3.152 1.00 3.56 C ATOM 1840 C ARG B 21 -20.303 -7.113 1.645 1.00 3.97 C ATOM 1841 O ARG B 21 -20.070 -6.104 0.975 1.00 4.56 O ATOM 1842 CB ARG B 21 -21.597 -6.022 3.488 1.00 4.19 C ATOM 1843 CG ARG B 21 -22.974 -6.465 3.012 1.00 4.83 C ATOM 1844 CD ARG B 21 -23.378 -7.790 3.642 1.00 5.37 C ATOM 1845 NE ARG B 21 -24.695 -8.243 3.200 1.00 5.88 N ATOM 1846 CZ ARG B 21 -25.085 -9.518 3.215 1.00 6.57 C ATOM 1847 NH1 ARG B 21 -24.247 -10.466 3.624 1.00 6.84 N ATOM 1848 NH2 ARG B 21 -26.307 -9.844 2.813 1.00 7.28 N ATOM 0 H ARG B 21 -19.076 -5.671 3.893 1.00 2.81 H new ATOM 0 HA ARG B 21 -20.796 -8.005 3.522 1.00 3.56 H new ATOM 0 HB2 ARG B 21 -21.624 -5.869 4.567 1.00 4.19 H new ATOM 0 HB3 ARG B 21 -21.355 -5.060 3.036 1.00 4.19 H new ATOM 0 HG2 ARG B 21 -23.711 -5.701 3.262 1.00 4.83 H new ATOM 0 HG3 ARG B 21 -22.972 -6.562 1.926 1.00 4.83 H new ATOM 0 HD2 ARG B 21 -22.635 -8.548 3.394 1.00 5.37 H new ATOM 0 HD3 ARG B 21 -23.378 -7.687 4.727 1.00 5.37 H new ATOM 0 HE ARG B 21 -25.355 -7.543 2.860 1.00 5.88 H new ATOM 0 HH11 ARG B 21 -23.305 -10.218 3.927 1.00 6.84 H new ATOM 0 HH12 ARG B 21 -24.546 -11.441 3.635 1.00 6.84 H new ATOM 0 HH21 ARG B 21 -26.949 -9.119 2.492 1.00 7.28 H new ATOM 0 HH22 ARG B 21 -26.604 -10.820 2.825 1.00 7.28 H new ATOM 1862 N LYS B 22 -20.403 -8.323 1.120 1.00 4.14 N ATOM 1863 CA LYS B 22 -20.264 -8.554 -0.308 1.00 4.91 C ATOM 1864 C LYS B 22 -21.274 -9.593 -0.790 1.00 5.05 C ATOM 1865 O LYS B 22 -22.114 -10.052 -0.014 1.00 5.59 O ATOM 1866 CB LYS B 22 -18.822 -8.963 -0.660 1.00 5.69 C ATOM 1867 CG LYS B 22 -18.168 -9.971 0.288 1.00 6.45 C ATOM 1868 CD LYS B 22 -18.826 -11.343 0.231 1.00 7.33 C ATOM 1869 CE LYS B 22 -17.825 -12.464 0.481 1.00 8.20 C ATOM 1870 NZ LYS B 22 -17.015 -12.240 1.706 1.00 8.71 N ATOM 0 H LYS B 22 -20.581 -9.166 1.666 1.00 4.14 H new ATOM 0 HA LYS B 22 -20.477 -7.620 -0.828 1.00 4.91 H new ATOM 0 HB2 LYS B 22 -18.818 -9.383 -1.666 1.00 5.69 H new ATOM 0 HB3 LYS B 22 -18.205 -8.065 -0.687 1.00 5.69 H new ATOM 0 HG2 LYS B 22 -17.112 -10.068 0.036 1.00 6.45 H new ATOM 0 HG3 LYS B 22 -18.219 -9.590 1.308 1.00 6.45 H new ATOM 0 HD2 LYS B 22 -19.622 -11.395 0.974 1.00 7.33 H new ATOM 0 HD3 LYS B 22 -19.291 -11.482 -0.745 1.00 7.33 H new ATOM 0 HE2 LYS B 22 -18.359 -13.410 0.570 1.00 8.20 H new ATOM 0 HE3 LYS B 22 -17.161 -12.552 -0.379 1.00 8.20 H new ATOM 0 HZ1 LYS B 22 -17.019 -13.102 2.287 1.00 8.71 H new ATOM 0 HZ2 LYS B 22 -16.037 -12.008 1.438 1.00 8.71 H new ATOM 0 HZ3 LYS B 22 -17.421 -11.453 2.251 1.00 8.71 H new ATOM 1884 N GLY B 23 -21.195 -9.953 -2.065 1.00 4.89 N ATOM 1885 CA GLY B 23 -22.117 -10.928 -2.620 1.00 5.27 C ATOM 1886 C GLY B 23 -21.716 -12.356 -2.303 1.00 5.26 C ATOM 1887 O GLY B 23 -21.470 -12.699 -1.146 1.00 5.68 O ATOM 0 H GLY B 23 -20.509 -9.588 -2.726 1.00 4.89 H new ATOM 0 HA2 GLY B 23 -23.117 -10.740 -2.230 1.00 5.27 H new ATOM 0 HA3 GLY B 23 -22.168 -10.800 -3.701 1.00 5.27 H new ATOM 1891 N HIS B 24 -21.653 -13.195 -3.328 1.00 5.16 N ATOM 1892 CA HIS B 24 -21.209 -14.575 -3.155 1.00 5.45 C ATOM 1893 C HIS B 24 -19.692 -14.620 -3.107 1.00 5.00 C ATOM 1894 O HIS B 24 -19.097 -15.392 -2.357 1.00 5.43 O ATOM 1895 CB HIS B 24 -21.726 -15.467 -4.288 1.00 6.30 C ATOM 1896 CG HIS B 24 -23.180 -15.810 -4.172 1.00 6.93 C ATOM 1897 ND1 HIS B 24 -23.632 -17.084 -3.901 1.00 7.56 N ATOM 1898 CD2 HIS B 24 -24.285 -15.042 -4.301 1.00 7.35 C ATOM 1899 CE1 HIS B 24 -24.952 -17.082 -3.870 1.00 8.27 C ATOM 1900 NE2 HIS B 24 -25.372 -15.855 -4.107 1.00 8.17 N ATOM 0 H HIS B 24 -21.902 -12.947 -4.286 1.00 5.16 H new ATOM 0 HA HIS B 24 -21.615 -14.953 -2.217 1.00 5.45 H new ATOM 0 HB2 HIS B 24 -21.556 -14.964 -5.240 1.00 6.30 H new ATOM 0 HB3 HIS B 24 -21.145 -16.389 -4.306 1.00 6.30 H new ATOM 0 HD2 HIS B 24 -24.307 -13.984 -4.517 1.00 7.35 H new ATOM 0 HE1 HIS B 24 -25.581 -17.940 -3.682 1.00 8.27 H new ATOM 0 HE2 HIS B 24 -26.347 -15.559 -4.141 1.00 8.17 H new ATOM 1909 N PHE B 25 -19.079 -13.776 -3.917 1.00 4.49 N ATOM 1910 CA PHE B 25 -17.636 -13.621 -3.925 1.00 4.32 C ATOM 1911 C PHE B 25 -17.281 -12.307 -3.250 1.00 3.72 C ATOM 1912 O PHE B 25 -18.168 -11.504 -2.952 1.00 3.96 O ATOM 1913 CB PHE B 25 -17.107 -13.638 -5.362 1.00 4.90 C ATOM 1914 CG PHE B 25 -17.481 -14.876 -6.126 1.00 5.62 C ATOM 1915 CD1 PHE B 25 -16.832 -16.077 -5.887 1.00 6.16 C ATOM 1916 CD2 PHE B 25 -18.481 -14.840 -7.085 1.00 6.16 C ATOM 1917 CE1 PHE B 25 -17.173 -17.216 -6.588 1.00 7.09 C ATOM 1918 CE2 PHE B 25 -18.827 -15.976 -7.789 1.00 7.10 C ATOM 1919 CZ PHE B 25 -18.173 -17.167 -7.540 1.00 7.50 C ATOM 0 H PHE B 25 -19.566 -13.180 -4.586 1.00 4.49 H new ATOM 0 HA PHE B 25 -17.176 -14.448 -3.384 1.00 4.32 H new ATOM 0 HB2 PHE B 25 -17.489 -12.765 -5.891 1.00 4.90 H new ATOM 0 HB3 PHE B 25 -16.021 -13.548 -5.342 1.00 4.90 H new ATOM 0 HD1 PHE B 25 -16.050 -16.122 -5.143 1.00 6.16 H new ATOM 0 HD2 PHE B 25 -18.996 -13.912 -7.284 1.00 6.16 H new ATOM 0 HE1 PHE B 25 -16.658 -18.145 -6.392 1.00 7.09 H new ATOM 0 HE2 PHE B 25 -19.608 -15.934 -8.534 1.00 7.10 H new ATOM 0 HZ PHE B 25 -18.443 -18.058 -8.088 1.00 7.50 H new ATOM 1929 N ASP B 26 -15.999 -12.085 -2.999 1.00 3.50 N ATOM 1930 CA ASP B 26 -15.558 -10.849 -2.362 1.00 3.49 C ATOM 1931 C ASP B 26 -15.587 -9.701 -3.358 1.00 3.06 C ATOM 1932 O ASP B 26 -14.549 -9.256 -3.842 1.00 3.62 O ATOM 1933 CB ASP B 26 -14.153 -10.992 -1.767 1.00 4.40 C ATOM 1934 CG ASP B 26 -14.104 -11.947 -0.591 1.00 5.10 C ATOM 1935 OD1 ASP B 26 -14.623 -11.599 0.493 1.00 5.49 O ATOM 1936 OD2 ASP B 26 -13.532 -13.048 -0.742 1.00 5.62 O ATOM 0 H ASP B 26 -15.249 -12.739 -3.224 1.00 3.50 H new ATOM 0 HA ASP B 26 -16.248 -10.634 -1.546 1.00 3.49 H new ATOM 0 HB2 ASP B 26 -13.470 -11.342 -2.541 1.00 4.40 H new ATOM 0 HB3 ASP B 26 -13.798 -10.012 -1.448 1.00 4.40 H new ATOM 1941 N THR B 27 -16.792 -9.252 -3.674 1.00 2.56 N ATOM 1942 CA THR B 27 -16.990 -8.149 -4.595 1.00 2.53 C ATOM 1943 C THR B 27 -16.439 -6.857 -4.009 1.00 1.72 C ATOM 1944 O THR B 27 -15.606 -6.196 -4.630 1.00 2.30 O ATOM 1945 CB THR B 27 -18.485 -7.984 -4.927 1.00 3.34 C ATOM 1946 OG1 THR B 27 -19.260 -7.983 -3.718 1.00 3.84 O ATOM 1947 CG2 THR B 27 -18.964 -9.106 -5.833 1.00 3.95 C ATOM 0 H THR B 27 -17.657 -9.642 -3.299 1.00 2.56 H new ATOM 0 HA THR B 27 -16.450 -8.373 -5.515 1.00 2.53 H new ATOM 0 HB THR B 27 -18.615 -7.034 -5.446 1.00 3.34 H new ATOM 0 HG1 THR B 27 -20.209 -7.876 -3.938 1.00 3.84 H new ATOM 0 HG21 THR B 27 -20.022 -8.968 -6.054 1.00 3.95 H new ATOM 0 HG22 THR B 27 -18.394 -9.092 -6.762 1.00 3.95 H new ATOM 0 HG23 THR B 27 -18.819 -10.064 -5.334 1.00 3.95 H new ATOM 1955 N LEU B 28 -16.917 -6.517 -2.810 1.00 1.15 N ATOM 1956 CA LEU B 28 -16.426 -5.364 -2.059 1.00 0.90 C ATOM 1957 C LEU B 28 -16.486 -4.102 -2.913 1.00 0.71 C ATOM 1958 O LEU B 28 -15.468 -3.581 -3.373 1.00 0.76 O ATOM 1959 CB LEU B 28 -15.004 -5.634 -1.560 1.00 1.66 C ATOM 1960 CG LEU B 28 -14.844 -6.938 -0.772 1.00 2.02 C ATOM 1961 CD1 LEU B 28 -13.389 -7.169 -0.398 1.00 2.91 C ATOM 1962 CD2 LEU B 28 -15.717 -6.924 0.474 1.00 2.37 C ATOM 0 H LEU B 28 -17.656 -7.035 -2.334 1.00 1.15 H new ATOM 0 HA LEU B 28 -17.067 -5.204 -1.192 1.00 0.90 H new ATOM 0 HB2 LEU B 28 -14.330 -5.657 -2.416 1.00 1.66 H new ATOM 0 HB3 LEU B 28 -14.690 -4.802 -0.929 1.00 1.66 H new ATOM 0 HG LEU B 28 -15.168 -7.760 -1.411 1.00 2.02 H new ATOM 0 HD11 LEU B 28 -13.300 -8.101 0.161 1.00 2.91 H new ATOM 0 HD12 LEU B 28 -12.786 -7.230 -1.304 1.00 2.91 H new ATOM 0 HD13 LEU B 28 -13.036 -6.342 0.218 1.00 2.91 H new ATOM 0 HD21 LEU B 28 -15.588 -7.859 1.019 1.00 2.37 H new ATOM 0 HD22 LEU B 28 -15.427 -6.089 1.112 1.00 2.37 H new ATOM 0 HD23 LEU B 28 -16.762 -6.814 0.185 1.00 2.37 H new ATOM 1974 N SER B 29 -17.699 -3.624 -3.127 1.00 0.61 N ATOM 1975 CA SER B 29 -17.936 -2.497 -4.008 1.00 0.48 C ATOM 1976 C SER B 29 -17.647 -1.160 -3.322 1.00 0.44 C ATOM 1977 O SER B 29 -17.130 -1.123 -2.201 1.00 0.53 O ATOM 1978 CB SER B 29 -19.369 -2.544 -4.530 1.00 0.55 C ATOM 1979 OG SER B 29 -19.624 -3.773 -5.190 1.00 1.35 O ATOM 0 H SER B 29 -18.542 -4.004 -2.697 1.00 0.61 H new ATOM 0 HA SER B 29 -17.245 -2.574 -4.848 1.00 0.48 H new ATOM 0 HB2 SER B 29 -20.067 -2.419 -3.702 1.00 0.55 H new ATOM 0 HB3 SER B 29 -19.538 -1.715 -5.217 1.00 0.55 H new ATOM 0 HG SER B 29 -19.113 -3.808 -6.026 1.00 1.35 H new ATOM 1985 N LYS B 30 -17.996 -0.067 -3.989 1.00 0.38 N ATOM 1986 CA LYS B 30 -17.654 1.273 -3.523 1.00 0.36 C ATOM 1987 C LYS B 30 -18.294 1.584 -2.168 1.00 0.36 C ATOM 1988 O LYS B 30 -17.797 2.425 -1.430 1.00 0.37 O ATOM 1989 CB LYS B 30 -18.074 2.299 -4.579 1.00 0.39 C ATOM 1990 CG LYS B 30 -17.580 3.720 -4.327 1.00 0.41 C ATOM 1991 CD LYS B 30 -17.561 4.529 -5.622 1.00 0.50 C ATOM 1992 CE LYS B 30 -18.854 4.354 -6.410 1.00 0.52 C ATOM 1993 NZ LYS B 30 -18.726 4.781 -7.830 1.00 1.32 N ATOM 0 H LYS B 30 -18.521 -0.083 -4.863 1.00 0.38 H new ATOM 0 HA LYS B 30 -16.575 1.325 -3.379 1.00 0.36 H new ATOM 0 HB2 LYS B 30 -17.707 1.969 -5.551 1.00 0.39 H new ATOM 0 HB3 LYS B 30 -19.162 2.313 -4.638 1.00 0.39 H new ATOM 0 HG2 LYS B 30 -18.225 4.209 -3.597 1.00 0.41 H new ATOM 0 HG3 LYS B 30 -16.579 3.690 -3.898 1.00 0.41 H new ATOM 0 HD2 LYS B 30 -17.415 5.584 -5.391 1.00 0.50 H new ATOM 0 HD3 LYS B 30 -16.715 4.217 -6.235 1.00 0.50 H new ATOM 0 HE2 LYS B 30 -19.156 3.307 -6.376 1.00 0.52 H new ATOM 0 HE3 LYS B 30 -19.646 4.930 -5.932 1.00 0.52 H new ATOM 0 HZ1 LYS B 30 -19.665 4.785 -8.277 1.00 1.32 H new ATOM 0 HZ2 LYS B 30 -18.319 5.737 -7.870 1.00 1.32 H new ATOM 0 HZ3 LYS B 30 -18.104 4.119 -8.337 1.00 1.32 H new ATOM 2007 N GLY B 31 -19.376 0.885 -1.837 1.00 0.39 N ATOM 2008 CA GLY B 31 -20.031 1.088 -0.554 1.00 0.40 C ATOM 2009 C GLY B 31 -19.108 0.833 0.621 1.00 0.38 C ATOM 2010 O GLY B 31 -19.009 1.653 1.537 1.00 0.39 O ATOM 0 H GLY B 31 -19.812 0.181 -2.433 1.00 0.39 H new ATOM 0 HA2 GLY B 31 -20.407 2.110 -0.500 1.00 0.40 H new ATOM 0 HA3 GLY B 31 -20.894 0.426 -0.483 1.00 0.40 H new ATOM 2014 N GLU B 32 -18.421 -0.300 0.585 1.00 0.44 N ATOM 2015 CA GLU B 32 -17.517 -0.681 1.661 1.00 0.50 C ATOM 2016 C GLU B 32 -16.284 0.212 1.671 1.00 0.42 C ATOM 2017 O GLU B 32 -15.795 0.610 2.731 1.00 0.44 O ATOM 2018 CB GLU B 32 -17.089 -2.137 1.501 1.00 0.67 C ATOM 2019 CG GLU B 32 -18.236 -3.135 1.580 1.00 0.96 C ATOM 2020 CD GLU B 32 -18.951 -3.122 2.919 1.00 1.58 C ATOM 2021 OE1 GLU B 32 -19.870 -2.295 3.095 1.00 2.43 O ATOM 2022 OE2 GLU B 32 -18.617 -3.948 3.794 1.00 2.10 O ATOM 0 H GLU B 32 -18.473 -0.973 -0.180 1.00 0.44 H new ATOM 0 HA GLU B 32 -18.047 -0.561 2.606 1.00 0.50 H new ATOM 0 HB2 GLU B 32 -16.586 -2.253 0.541 1.00 0.67 H new ATOM 0 HB3 GLU B 32 -16.359 -2.377 2.274 1.00 0.67 H new ATOM 0 HG2 GLU B 32 -18.954 -2.916 0.790 1.00 0.96 H new ATOM 0 HG3 GLU B 32 -17.851 -4.137 1.391 1.00 0.96 H new ATOM 2029 N LEU B 33 -15.795 0.530 0.479 1.00 0.38 N ATOM 2030 CA LEU B 33 -14.617 1.363 0.328 1.00 0.34 C ATOM 2031 C LEU B 33 -14.893 2.759 0.865 1.00 0.30 C ATOM 2032 O LEU B 33 -14.132 3.275 1.670 1.00 0.32 O ATOM 2033 CB LEU B 33 -14.217 1.436 -1.142 1.00 0.34 C ATOM 2034 CG LEU B 33 -12.832 2.027 -1.408 1.00 0.39 C ATOM 2035 CD1 LEU B 33 -11.751 1.150 -0.797 1.00 0.52 C ATOM 2036 CD2 LEU B 33 -12.598 2.200 -2.898 1.00 0.46 C ATOM 0 H LEU B 33 -16.203 0.218 -0.402 1.00 0.38 H new ATOM 0 HA LEU B 33 -13.797 0.924 0.896 1.00 0.34 H new ATOM 0 HB2 LEU B 33 -14.253 0.431 -1.563 1.00 0.34 H new ATOM 0 HB3 LEU B 33 -14.958 2.032 -1.675 1.00 0.34 H new ATOM 0 HG LEU B 33 -12.785 3.010 -0.939 1.00 0.39 H new ATOM 0 HD11 LEU B 33 -10.772 1.587 -0.997 1.00 0.52 H new ATOM 0 HD12 LEU B 33 -11.905 1.080 0.280 1.00 0.52 H new ATOM 0 HD13 LEU B 33 -11.800 0.153 -1.236 1.00 0.52 H new ATOM 0 HD21 LEU B 33 -11.607 2.622 -3.064 1.00 0.46 H new ATOM 0 HD22 LEU B 33 -12.667 1.231 -3.392 1.00 0.46 H new ATOM 0 HD23 LEU B 33 -13.352 2.872 -3.309 1.00 0.46 H new ATOM 2048 N LYS B 34 -16.001 3.342 0.423 1.00 0.29 N ATOM 2049 CA LYS B 34 -16.434 4.661 0.876 1.00 0.31 C ATOM 2050 C LYS B 34 -16.456 4.731 2.399 1.00 0.35 C ATOM 2051 O LYS B 34 -15.988 5.706 2.989 1.00 0.41 O ATOM 2052 CB LYS B 34 -17.822 4.969 0.284 1.00 0.34 C ATOM 2053 CG LYS B 34 -18.719 5.855 1.151 1.00 0.53 C ATOM 2054 CD LYS B 34 -18.261 7.303 1.180 1.00 0.85 C ATOM 2055 CE LYS B 34 -19.091 8.132 2.146 1.00 1.30 C ATOM 2056 NZ LYS B 34 -18.694 9.565 2.142 1.00 1.87 N ATOM 0 H LYS B 34 -16.626 2.914 -0.260 1.00 0.29 H new ATOM 0 HA LYS B 34 -15.726 5.413 0.528 1.00 0.31 H new ATOM 0 HB2 LYS B 34 -17.687 5.453 -0.684 1.00 0.34 H new ATOM 0 HB3 LYS B 34 -18.338 4.027 0.100 1.00 0.34 H new ATOM 0 HG2 LYS B 34 -19.741 5.809 0.775 1.00 0.53 H new ATOM 0 HG3 LYS B 34 -18.736 5.463 2.168 1.00 0.53 H new ATOM 0 HD2 LYS B 34 -17.211 7.348 1.470 1.00 0.85 H new ATOM 0 HD3 LYS B 34 -18.333 7.728 0.179 1.00 0.85 H new ATOM 0 HE2 LYS B 34 -20.145 8.048 1.881 1.00 1.30 H new ATOM 0 HE3 LYS B 34 -18.983 7.730 3.153 1.00 1.30 H new ATOM 0 HZ1 LYS B 34 -19.287 10.091 2.815 1.00 1.87 H new ATOM 0 HZ2 LYS B 34 -17.695 9.649 2.420 1.00 1.87 H new ATOM 0 HZ3 LYS B 34 -18.822 9.958 1.188 1.00 1.87 H new ATOM 2070 N GLN B 35 -16.980 3.683 3.021 1.00 0.36 N ATOM 2071 CA GLN B 35 -17.028 3.594 4.468 1.00 0.43 C ATOM 2072 C GLN B 35 -15.621 3.649 5.057 1.00 0.43 C ATOM 2073 O GLN B 35 -15.307 4.553 5.829 1.00 0.50 O ATOM 2074 CB GLN B 35 -17.753 2.310 4.872 1.00 0.50 C ATOM 2075 CG GLN B 35 -17.692 2.000 6.351 1.00 1.07 C ATOM 2076 CD GLN B 35 -18.657 0.902 6.748 1.00 1.67 C ATOM 2077 OE1 GLN B 35 -19.798 1.171 7.119 1.00 2.45 O ATOM 2078 NE2 GLN B 35 -18.220 -0.341 6.650 1.00 2.06 N ATOM 0 H GLN B 35 -17.380 2.878 2.538 1.00 0.36 H new ATOM 0 HA GLN B 35 -17.579 4.446 4.867 1.00 0.43 H new ATOM 0 HB2 GLN B 35 -18.798 2.387 4.572 1.00 0.50 H new ATOM 0 HB3 GLN B 35 -17.323 1.475 4.320 1.00 0.50 H new ATOM 0 HG2 GLN B 35 -16.677 1.702 6.616 1.00 1.07 H new ATOM 0 HG3 GLN B 35 -17.918 2.902 6.919 1.00 1.07 H new ATOM 0 HE21 GLN B 35 -17.266 -0.523 6.338 1.00 2.06 H new ATOM 0 HE22 GLN B 35 -18.837 -1.118 6.886 1.00 2.06 H new ATOM 2087 N LEU B 36 -14.771 2.709 4.653 1.00 0.38 N ATOM 2088 CA LEU B 36 -13.399 2.639 5.143 1.00 0.39 C ATOM 2089 C LEU B 36 -12.683 3.967 4.929 1.00 0.38 C ATOM 2090 O LEU B 36 -12.034 4.484 5.827 1.00 0.45 O ATOM 2091 CB LEU B 36 -12.660 1.499 4.426 1.00 0.37 C ATOM 2092 CG LEU B 36 -11.185 1.299 4.795 1.00 0.40 C ATOM 2093 CD1 LEU B 36 -10.784 -0.149 4.574 1.00 0.45 C ATOM 2094 CD2 LEU B 36 -10.296 2.202 3.958 1.00 0.40 C ATOM 0 H LEU B 36 -15.012 1.980 3.982 1.00 0.38 H new ATOM 0 HA LEU B 36 -13.411 2.438 6.214 1.00 0.39 H new ATOM 0 HB2 LEU B 36 -13.191 0.569 4.628 1.00 0.37 H new ATOM 0 HB3 LEU B 36 -12.722 1.675 3.352 1.00 0.37 H new ATOM 0 HG LEU B 36 -11.059 1.555 5.847 1.00 0.40 H new ATOM 0 HD11 LEU B 36 -9.735 -0.280 4.839 1.00 0.45 H new ATOM 0 HD12 LEU B 36 -11.400 -0.796 5.198 1.00 0.45 H new ATOM 0 HD13 LEU B 36 -10.929 -0.411 3.526 1.00 0.45 H new ATOM 0 HD21 LEU B 36 -9.254 2.045 4.235 1.00 0.40 H new ATOM 0 HD22 LEU B 36 -10.430 1.967 2.902 1.00 0.40 H new ATOM 0 HD23 LEU B 36 -10.565 3.243 4.135 1.00 0.40 H new ATOM 2106 N LEU B 37 -12.837 4.520 3.744 1.00 0.34 N ATOM 2107 CA LEU B 37 -12.128 5.726 3.352 1.00 0.35 C ATOM 2108 C LEU B 37 -12.499 6.930 4.212 1.00 0.41 C ATOM 2109 O LEU B 37 -11.620 7.608 4.740 1.00 0.45 O ATOM 2110 CB LEU B 37 -12.413 6.023 1.887 1.00 0.34 C ATOM 2111 CG LEU B 37 -11.884 4.977 0.907 1.00 0.30 C ATOM 2112 CD1 LEU B 37 -12.302 5.310 -0.513 1.00 0.38 C ATOM 2113 CD2 LEU B 37 -10.374 4.865 1.013 1.00 0.32 C ATOM 0 H LEU B 37 -13.456 4.148 3.024 1.00 0.34 H new ATOM 0 HA LEU B 37 -11.063 5.547 3.502 1.00 0.35 H new ATOM 0 HB2 LEU B 37 -13.491 6.115 1.752 1.00 0.34 H new ATOM 0 HB3 LEU B 37 -11.977 6.990 1.635 1.00 0.34 H new ATOM 0 HG LEU B 37 -12.318 4.012 1.168 1.00 0.30 H new ATOM 0 HD11 LEU B 37 -11.914 4.552 -1.194 1.00 0.38 H new ATOM 0 HD12 LEU B 37 -13.390 5.332 -0.576 1.00 0.38 H new ATOM 0 HD13 LEU B 37 -11.902 6.285 -0.791 1.00 0.38 H new ATOM 0 HD21 LEU B 37 -10.014 4.115 0.308 1.00 0.32 H new ATOM 0 HD22 LEU B 37 -9.920 5.829 0.781 1.00 0.32 H new ATOM 0 HD23 LEU B 37 -10.101 4.570 2.026 1.00 0.32 H new ATOM 2125 N THR B 38 -13.791 7.186 4.366 1.00 0.45 N ATOM 2126 CA THR B 38 -14.244 8.376 5.070 1.00 0.53 C ATOM 2127 C THR B 38 -13.900 8.312 6.558 1.00 0.59 C ATOM 2128 O THR B 38 -13.723 9.346 7.204 1.00 0.67 O ATOM 2129 CB THR B 38 -15.766 8.607 4.885 1.00 0.56 C ATOM 2130 OG1 THR B 38 -16.169 9.834 5.499 1.00 1.23 O ATOM 2131 CG2 THR B 38 -16.584 7.465 5.470 1.00 1.03 C ATOM 0 H THR B 38 -14.540 6.589 4.015 1.00 0.45 H new ATOM 0 HA THR B 38 -13.715 9.221 4.630 1.00 0.53 H new ATOM 0 HB THR B 38 -15.953 8.655 3.812 1.00 0.56 H new ATOM 0 HG1 THR B 38 -17.135 9.955 5.384 1.00 1.23 H new ATOM 0 HG21 THR B 38 -17.645 7.664 5.321 1.00 1.03 H new ATOM 0 HG22 THR B 38 -16.316 6.533 4.972 1.00 1.03 H new ATOM 0 HG23 THR B 38 -16.378 7.379 6.537 1.00 1.03 H new ATOM 2139 N LYS B 39 -13.810 7.108 7.108 1.00 0.58 N ATOM 2140 CA LYS B 39 -13.541 6.969 8.530 1.00 0.67 C ATOM 2141 C LYS B 39 -12.065 6.720 8.841 1.00 0.65 C ATOM 2142 O LYS B 39 -11.586 7.115 9.902 1.00 0.72 O ATOM 2143 CB LYS B 39 -14.417 5.885 9.146 1.00 0.72 C ATOM 2144 CG LYS B 39 -14.189 4.492 8.588 1.00 0.68 C ATOM 2145 CD LYS B 39 -15.456 3.646 8.672 1.00 0.74 C ATOM 2146 CE LYS B 39 -16.022 3.614 10.083 1.00 0.87 C ATOM 2147 NZ LYS B 39 -17.334 2.922 10.142 1.00 1.62 N ATOM 0 H LYS B 39 -13.917 6.229 6.601 1.00 0.58 H new ATOM 0 HA LYS B 39 -13.794 7.926 8.985 1.00 0.67 H new ATOM 0 HB2 LYS B 39 -14.243 5.864 10.222 1.00 0.72 H new ATOM 0 HB3 LYS B 39 -15.463 6.154 8.998 1.00 0.72 H new ATOM 0 HG2 LYS B 39 -13.865 4.563 7.550 1.00 0.68 H new ATOM 0 HG3 LYS B 39 -13.386 4.004 9.140 1.00 0.68 H new ATOM 0 HD2 LYS B 39 -16.206 4.045 7.989 1.00 0.74 H new ATOM 0 HD3 LYS B 39 -15.236 2.630 8.345 1.00 0.74 H new ATOM 0 HE2 LYS B 39 -15.317 3.111 10.745 1.00 0.87 H new ATOM 0 HE3 LYS B 39 -16.133 4.634 10.452 1.00 0.87 H new ATOM 0 HZ1 LYS B 39 -17.683 2.923 11.122 1.00 1.62 H new ATOM 0 HZ2 LYS B 39 -18.015 3.416 9.531 1.00 1.62 H new ATOM 0 HZ3 LYS B 39 -17.224 1.941 9.815 1.00 1.62 H new ATOM 2161 N GLU B 40 -11.345 6.067 7.937 1.00 0.57 N ATOM 2162 CA GLU B 40 -9.946 5.730 8.189 1.00 0.58 C ATOM 2163 C GLU B 40 -9.017 6.757 7.557 1.00 0.56 C ATOM 2164 O GLU B 40 -8.149 7.324 8.213 1.00 0.64 O ATOM 2165 CB GLU B 40 -9.629 4.340 7.619 1.00 0.58 C ATOM 2166 CG GLU B 40 -10.113 3.182 8.471 1.00 0.88 C ATOM 2167 CD GLU B 40 -9.192 2.880 9.641 1.00 1.14 C ATOM 2168 OE1 GLU B 40 -8.017 2.516 9.402 1.00 1.63 O ATOM 2169 OE2 GLU B 40 -9.642 3.000 10.805 1.00 1.67 O ATOM 0 H GLU B 40 -11.700 5.762 7.031 1.00 0.57 H new ATOM 0 HA GLU B 40 -9.788 5.730 9.267 1.00 0.58 H new ATOM 0 HB2 GLU B 40 -10.077 4.257 6.629 1.00 0.58 H new ATOM 0 HB3 GLU B 40 -8.550 4.252 7.489 1.00 0.58 H new ATOM 0 HG2 GLU B 40 -11.110 3.408 8.849 1.00 0.88 H new ATOM 0 HG3 GLU B 40 -10.203 2.292 7.848 1.00 0.88 H new ATOM 2176 N LEU B 41 -9.256 7.044 6.293 1.00 0.50 N ATOM 2177 CA LEU B 41 -8.351 7.879 5.515 1.00 0.49 C ATOM 2178 C LEU B 41 -8.814 9.329 5.502 1.00 0.53 C ATOM 2179 O LEU B 41 -8.381 10.118 4.658 1.00 0.53 O ATOM 2180 CB LEU B 41 -8.239 7.355 4.077 1.00 0.43 C ATOM 2181 CG LEU B 41 -7.434 6.059 3.900 1.00 0.51 C ATOM 2182 CD1 LEU B 41 -8.124 4.875 4.551 1.00 1.22 C ATOM 2183 CD2 LEU B 41 -7.200 5.778 2.429 1.00 1.42 C ATOM 0 H LEU B 41 -10.071 6.712 5.778 1.00 0.50 H new ATOM 0 HA LEU B 41 -7.370 7.835 5.988 1.00 0.49 H new ATOM 0 HB2 LEU B 41 -9.245 7.192 3.690 1.00 0.43 H new ATOM 0 HB3 LEU B 41 -7.783 8.131 3.462 1.00 0.43 H new ATOM 0 HG LEU B 41 -6.474 6.201 4.396 1.00 0.51 H new ATOM 0 HD11 LEU B 41 -7.523 3.978 4.404 1.00 1.22 H new ATOM 0 HD12 LEU B 41 -8.240 5.063 5.618 1.00 1.22 H new ATOM 0 HD13 LEU B 41 -9.106 4.733 4.099 1.00 1.22 H new ATOM 0 HD21 LEU B 41 -6.628 4.856 2.321 1.00 1.42 H new ATOM 0 HD22 LEU B 41 -8.159 5.672 1.922 1.00 1.42 H new ATOM 0 HD23 LEU B 41 -6.644 6.604 1.985 1.00 1.42 H new ATOM 2195 N ALA B 42 -9.674 9.670 6.459 1.00 0.58 N ATOM 2196 CA ALA B 42 -10.286 10.997 6.537 1.00 0.64 C ATOM 2197 C ALA B 42 -9.264 12.138 6.536 1.00 0.71 C ATOM 2198 O ALA B 42 -9.579 13.257 6.126 1.00 0.78 O ATOM 2199 CB ALA B 42 -11.155 11.091 7.778 1.00 0.71 C ATOM 0 H ALA B 42 -9.967 9.036 7.202 1.00 0.58 H new ATOM 0 HA ALA B 42 -10.890 11.115 5.637 1.00 0.64 H new ATOM 0 HB1 ALA B 42 -11.608 12.081 7.831 1.00 0.71 H new ATOM 0 HB2 ALA B 42 -11.939 10.335 7.731 1.00 0.71 H new ATOM 0 HB3 ALA B 42 -10.543 10.924 8.664 1.00 0.71 H new ATOM 2205 N ASN B 43 -8.047 11.865 6.983 1.00 0.74 N ATOM 2206 CA ASN B 43 -7.044 12.917 7.129 1.00 0.83 C ATOM 2207 C ASN B 43 -5.930 12.785 6.087 1.00 0.83 C ATOM 2208 O ASN B 43 -5.046 13.636 6.002 1.00 1.07 O ATOM 2209 CB ASN B 43 -6.461 12.874 8.552 1.00 1.00 C ATOM 2210 CG ASN B 43 -5.502 14.017 8.856 1.00 1.28 C ATOM 2211 OD1 ASN B 43 -5.921 15.108 9.243 1.00 1.56 O ATOM 2212 ND2 ASN B 43 -4.209 13.768 8.709 1.00 2.16 N ATOM 0 H ASN B 43 -7.729 10.933 7.250 1.00 0.74 H new ATOM 0 HA ASN B 43 -7.528 13.879 6.962 1.00 0.83 H new ATOM 0 HB2 ASN B 43 -7.280 12.897 9.271 1.00 1.00 H new ATOM 0 HB3 ASN B 43 -5.940 11.927 8.693 1.00 1.00 H new ATOM 0 HD21 ASN B 43 -3.523 14.493 8.919 1.00 2.16 H new ATOM 0 HD22 ASN B 43 -3.900 12.851 8.386 1.00 2.16 H new ATOM 2219 N THR B 44 -5.994 11.756 5.259 1.00 0.65 N ATOM 2220 CA THR B 44 -4.881 11.450 4.378 1.00 0.61 C ATOM 2221 C THR B 44 -5.171 11.906 2.958 1.00 0.59 C ATOM 2222 O THR B 44 -4.492 12.777 2.414 1.00 0.66 O ATOM 2223 CB THR B 44 -4.583 9.943 4.373 1.00 0.55 C ATOM 2224 OG1 THR B 44 -4.619 9.442 5.713 1.00 0.65 O ATOM 2225 CG2 THR B 44 -3.217 9.663 3.766 1.00 0.52 C ATOM 0 H THR B 44 -6.793 11.127 5.179 1.00 0.65 H new ATOM 0 HA THR B 44 -4.010 11.986 4.756 1.00 0.61 H new ATOM 0 HB THR B 44 -5.341 9.444 3.769 1.00 0.55 H new ATOM 0 HG1 THR B 44 -3.773 9.648 6.162 1.00 0.65 H new ATOM 0 HG21 THR B 44 -3.029 8.589 3.774 1.00 0.52 H new ATOM 0 HG22 THR B 44 -3.193 10.028 2.739 1.00 0.52 H new ATOM 0 HG23 THR B 44 -2.449 10.170 4.349 1.00 0.52 H new ATOM 2233 N ILE B 45 -6.197 11.321 2.372 1.00 0.52 N ATOM 2234 CA ILE B 45 -6.555 11.609 1.002 1.00 0.51 C ATOM 2235 C ILE B 45 -7.377 12.890 0.932 1.00 0.59 C ATOM 2236 O ILE B 45 -8.234 13.128 1.787 1.00 0.60 O ATOM 2237 CB ILE B 45 -7.346 10.436 0.399 1.00 0.43 C ATOM 2238 CG1 ILE B 45 -6.502 9.154 0.422 1.00 0.39 C ATOM 2239 CG2 ILE B 45 -7.788 10.762 -1.022 1.00 0.47 C ATOM 2240 CD1 ILE B 45 -7.174 7.970 -0.239 1.00 0.35 C ATOM 0 H ILE B 45 -6.800 10.638 2.830 1.00 0.52 H new ATOM 0 HA ILE B 45 -5.641 11.746 0.424 1.00 0.51 H new ATOM 0 HB ILE B 45 -8.238 10.273 1.005 1.00 0.43 H new ATOM 0 HG12 ILE B 45 -5.552 9.346 -0.077 1.00 0.39 H new ATOM 0 HG13 ILE B 45 -6.273 8.899 1.457 1.00 0.39 H new ATOM 0 HG21 ILE B 45 -8.346 9.920 -1.432 1.00 0.47 H new ATOM 0 HG22 ILE B 45 -8.423 11.648 -1.011 1.00 0.47 H new ATOM 0 HG23 ILE B 45 -6.911 10.952 -1.641 1.00 0.47 H new ATOM 0 HD11 ILE B 45 -6.518 7.102 -0.184 1.00 0.35 H new ATOM 0 HD12 ILE B 45 -8.111 7.750 0.274 1.00 0.35 H new ATOM 0 HD13 ILE B 45 -7.379 8.204 -1.284 1.00 0.35 H new ATOM 2252 N LYS B 46 -7.089 13.721 -0.072 1.00 0.67 N ATOM 2253 CA LYS B 46 -7.770 15.000 -0.223 1.00 0.74 C ATOM 2254 C LYS B 46 -9.269 14.777 -0.349 1.00 0.68 C ATOM 2255 O LYS B 46 -9.715 14.016 -1.207 1.00 0.63 O ATOM 2256 CB LYS B 46 -7.218 15.789 -1.440 1.00 0.82 C ATOM 2257 CG LYS B 46 -7.883 15.497 -2.790 1.00 0.79 C ATOM 2258 CD LYS B 46 -9.111 16.379 -3.017 1.00 0.75 C ATOM 2259 CE LYS B 46 -9.759 16.122 -4.370 1.00 0.88 C ATOM 2260 NZ LYS B 46 -8.963 16.677 -5.496 1.00 1.61 N ATOM 0 H LYS B 46 -6.390 13.528 -0.789 1.00 0.67 H new ATOM 0 HA LYS B 46 -7.581 15.601 0.666 1.00 0.74 H new ATOM 0 HB2 LYS B 46 -7.317 16.854 -1.232 1.00 0.82 H new ATOM 0 HB3 LYS B 46 -6.152 15.580 -1.530 1.00 0.82 H new ATOM 0 HG2 LYS B 46 -7.164 15.660 -3.593 1.00 0.79 H new ATOM 0 HG3 LYS B 46 -8.175 14.448 -2.832 1.00 0.79 H new ATOM 0 HD2 LYS B 46 -9.839 16.196 -2.227 1.00 0.75 H new ATOM 0 HD3 LYS B 46 -8.821 17.428 -2.948 1.00 0.75 H new ATOM 0 HE2 LYS B 46 -9.884 15.048 -4.512 1.00 0.88 H new ATOM 0 HE3 LYS B 46 -10.756 16.563 -4.382 1.00 0.88 H new ATOM 0 HZ1 LYS B 46 -9.351 16.334 -6.398 1.00 1.61 H new ATOM 0 HZ2 LYS B 46 -9.007 17.716 -5.473 1.00 1.61 H new ATOM 0 HZ3 LYS B 46 -7.973 16.370 -5.406 1.00 1.61 H new ATOM 2274 N ASN B 47 -10.024 15.409 0.545 1.00 0.71 N ATOM 2275 CA ASN B 47 -11.482 15.354 0.517 1.00 0.67 C ATOM 2276 C ASN B 47 -11.989 13.936 0.326 1.00 0.59 C ATOM 2277 O ASN B 47 -12.917 13.700 -0.442 1.00 0.57 O ATOM 2278 CB ASN B 47 -12.032 16.244 -0.593 1.00 0.69 C ATOM 2279 CG ASN B 47 -11.887 17.719 -0.292 1.00 0.92 C ATOM 2280 OD1 ASN B 47 -10.851 18.326 -0.569 1.00 1.48 O ATOM 2281 ND2 ASN B 47 -12.930 18.312 0.259 1.00 1.24 N ATOM 0 H ASN B 47 -9.644 15.972 1.306 1.00 0.71 H new ATOM 0 HA ASN B 47 -11.834 15.716 1.483 1.00 0.67 H new ATOM 0 HB2 ASN B 47 -11.514 16.016 -1.525 1.00 0.69 H new ATOM 0 HB3 ASN B 47 -13.086 16.012 -0.749 1.00 0.69 H new ATOM 0 HD21 ASN B 47 -12.897 19.309 0.471 1.00 1.24 H new ATOM 0 HD22 ASN B 47 -13.769 17.773 0.473 1.00 1.24 H new ATOM 2288 N ILE B 48 -11.386 12.997 1.043 1.00 0.56 N ATOM 2289 CA ILE B 48 -11.763 11.586 0.956 1.00 0.48 C ATOM 2290 C ILE B 48 -13.210 11.381 1.413 1.00 0.48 C ATOM 2291 O ILE B 48 -13.763 10.286 1.350 1.00 0.44 O ATOM 2292 CB ILE B 48 -10.825 10.719 1.820 1.00 0.46 C ATOM 2293 CG1 ILE B 48 -11.040 9.231 1.544 1.00 0.40 C ATOM 2294 CG2 ILE B 48 -11.044 11.020 3.291 1.00 0.52 C ATOM 2295 CD1 ILE B 48 -10.808 8.842 0.102 1.00 0.38 C ATOM 0 H ILE B 48 -10.627 13.186 1.698 1.00 0.56 H new ATOM 0 HA ILE B 48 -11.673 11.281 -0.087 1.00 0.48 H new ATOM 0 HB ILE B 48 -9.796 10.964 1.557 1.00 0.46 H new ATOM 0 HG12 ILE B 48 -10.370 8.652 2.180 1.00 0.40 H new ATOM 0 HG13 ILE B 48 -12.058 8.962 1.825 1.00 0.40 H new ATOM 0 HG21 ILE B 48 -10.377 10.402 3.892 1.00 0.52 H new ATOM 0 HG22 ILE B 48 -10.835 12.073 3.482 1.00 0.52 H new ATOM 0 HG23 ILE B 48 -12.078 10.802 3.557 1.00 0.52 H new ATOM 0 HD11 ILE B 48 -10.979 7.772 -0.018 1.00 0.38 H new ATOM 0 HD12 ILE B 48 -11.496 9.394 -0.539 1.00 0.38 H new ATOM 0 HD13 ILE B 48 -9.782 9.079 -0.178 1.00 0.38 H new ATOM 2307 N LYS B 49 -13.810 12.455 1.879 1.00 0.56 N ATOM 2308 CA LYS B 49 -15.183 12.439 2.332 1.00 0.57 C ATOM 2309 C LYS B 49 -16.111 12.536 1.137 1.00 0.55 C ATOM 2310 O LYS B 49 -17.258 12.086 1.177 1.00 0.56 O ATOM 2311 CB LYS B 49 -15.415 13.610 3.272 1.00 0.66 C ATOM 2312 CG LYS B 49 -14.301 13.772 4.289 1.00 0.73 C ATOM 2313 CD LYS B 49 -14.101 12.507 5.118 1.00 0.72 C ATOM 2314 CE LYS B 49 -14.993 12.462 6.355 1.00 0.83 C ATOM 2315 NZ LYS B 49 -16.439 12.622 6.039 1.00 1.11 N ATOM 0 H LYS B 49 -13.358 13.366 1.954 1.00 0.56 H new ATOM 0 HA LYS B 49 -15.386 11.509 2.863 1.00 0.57 H new ATOM 0 HB2 LYS B 49 -15.506 14.527 2.689 1.00 0.66 H new ATOM 0 HB3 LYS B 49 -16.361 13.470 3.795 1.00 0.66 H new ATOM 0 HG2 LYS B 49 -13.373 14.020 3.774 1.00 0.73 H new ATOM 0 HG3 LYS B 49 -14.532 14.607 4.950 1.00 0.73 H new ATOM 0 HD2 LYS B 49 -14.305 11.635 4.497 1.00 0.72 H new ATOM 0 HD3 LYS B 49 -13.057 12.441 5.426 1.00 0.72 H new ATOM 0 HE2 LYS B 49 -14.843 11.513 6.870 1.00 0.83 H new ATOM 0 HE3 LYS B 49 -14.689 13.250 7.044 1.00 0.83 H new ATOM 0 HZ1 LYS B 49 -16.998 12.515 6.909 1.00 1.11 H new ATOM 0 HZ2 LYS B 49 -16.604 13.566 5.635 1.00 1.11 H new ATOM 0 HZ3 LYS B 49 -16.726 11.896 5.352 1.00 1.11 H new ATOM 2329 N ASP B 50 -15.579 13.103 0.067 1.00 0.55 N ATOM 2330 CA ASP B 50 -16.343 13.354 -1.140 1.00 0.56 C ATOM 2331 C ASP B 50 -16.505 12.093 -1.952 1.00 0.50 C ATOM 2332 O ASP B 50 -15.534 11.419 -2.285 1.00 0.47 O ATOM 2333 CB ASP B 50 -15.676 14.427 -2.000 1.00 0.62 C ATOM 2334 CG ASP B 50 -16.010 15.834 -1.553 1.00 0.97 C ATOM 2335 OD1 ASP B 50 -15.302 16.380 -0.682 1.00 1.56 O ATOM 2336 OD2 ASP B 50 -16.984 16.409 -2.085 1.00 1.59 O ATOM 0 H ASP B 50 -14.605 13.402 0.012 1.00 0.55 H new ATOM 0 HA ASP B 50 -17.327 13.707 -0.831 1.00 0.56 H new ATOM 0 HB2 ASP B 50 -14.595 14.289 -1.970 1.00 0.62 H new ATOM 0 HB3 ASP B 50 -15.985 14.298 -3.037 1.00 0.62 H new ATOM 2341 N LYS B 51 -17.750 11.791 -2.278 1.00 0.50 N ATOM 2342 CA LYS B 51 -18.073 10.660 -3.125 1.00 0.48 C ATOM 2343 C LYS B 51 -17.481 10.858 -4.509 1.00 0.49 C ATOM 2344 O LYS B 51 -17.214 9.898 -5.218 1.00 0.48 O ATOM 2345 CB LYS B 51 -19.583 10.512 -3.221 1.00 0.53 C ATOM 2346 CG LYS B 51 -20.056 9.335 -4.065 1.00 0.83 C ATOM 2347 CD LYS B 51 -19.560 8.005 -3.520 1.00 0.60 C ATOM 2348 CE LYS B 51 -20.126 6.837 -4.310 1.00 0.83 C ATOM 2349 NZ LYS B 51 -21.607 6.745 -4.202 1.00 0.92 N ATOM 0 H LYS B 51 -18.562 12.322 -1.963 1.00 0.50 H new ATOM 0 HA LYS B 51 -17.649 9.755 -2.690 1.00 0.48 H new ATOM 0 HB2 LYS B 51 -19.989 10.406 -2.215 1.00 0.53 H new ATOM 0 HB3 LYS B 51 -19.998 11.430 -3.637 1.00 0.53 H new ATOM 0 HG2 LYS B 51 -21.145 9.329 -4.099 1.00 0.83 H new ATOM 0 HG3 LYS B 51 -19.705 9.460 -5.090 1.00 0.83 H new ATOM 0 HD2 LYS B 51 -18.471 7.978 -3.557 1.00 0.60 H new ATOM 0 HD3 LYS B 51 -19.845 7.910 -2.472 1.00 0.60 H new ATOM 0 HE2 LYS B 51 -19.846 6.941 -5.358 1.00 0.83 H new ATOM 0 HE3 LYS B 51 -19.680 5.909 -3.952 1.00 0.83 H new ATOM 0 HZ1 LYS B 51 -21.920 5.805 -4.518 1.00 0.92 H new ATOM 0 HZ2 LYS B 51 -21.893 6.891 -3.213 1.00 0.92 H new ATOM 0 HZ3 LYS B 51 -22.045 7.475 -4.800 1.00 0.92 H new ATOM 2363 N ALA B 52 -17.274 12.114 -4.881 1.00 0.55 N ATOM 2364 CA ALA B 52 -16.639 12.434 -6.148 1.00 0.60 C ATOM 2365 C ALA B 52 -15.174 12.057 -6.086 1.00 0.57 C ATOM 2366 O ALA B 52 -14.599 11.573 -7.055 1.00 0.60 O ATOM 2367 CB ALA B 52 -16.782 13.911 -6.461 1.00 0.67 C ATOM 0 H ALA B 52 -17.537 12.926 -4.322 1.00 0.55 H new ATOM 0 HA ALA B 52 -17.128 11.868 -6.941 1.00 0.60 H new ATOM 0 HB1 ALA B 52 -16.300 14.129 -7.414 1.00 0.67 H new ATOM 0 HB2 ALA B 52 -17.839 14.169 -6.522 1.00 0.67 H new ATOM 0 HB3 ALA B 52 -16.310 14.497 -5.673 1.00 0.67 H new ATOM 2373 N VAL B 53 -14.595 12.261 -4.915 1.00 0.54 N ATOM 2374 CA VAL B 53 -13.194 11.937 -4.682 1.00 0.53 C ATOM 2375 C VAL B 53 -13.038 10.434 -4.604 1.00 0.47 C ATOM 2376 O VAL B 53 -12.152 9.845 -5.221 1.00 0.48 O ATOM 2377 CB VAL B 53 -12.683 12.582 -3.374 1.00 0.53 C ATOM 2378 CG1 VAL B 53 -11.386 11.941 -2.900 1.00 0.51 C ATOM 2379 CG2 VAL B 53 -12.482 14.073 -3.562 1.00 0.60 C ATOM 0 H VAL B 53 -15.076 12.652 -4.105 1.00 0.54 H new ATOM 0 HA VAL B 53 -12.603 12.333 -5.508 1.00 0.53 H new ATOM 0 HB VAL B 53 -13.441 12.414 -2.609 1.00 0.53 H new ATOM 0 HG11 VAL B 53 -11.058 12.421 -1.978 1.00 0.51 H new ATOM 0 HG12 VAL B 53 -11.551 10.879 -2.717 1.00 0.51 H new ATOM 0 HG13 VAL B 53 -10.619 12.063 -3.665 1.00 0.51 H new ATOM 0 HG21 VAL B 53 -12.122 14.512 -2.631 1.00 0.60 H new ATOM 0 HG22 VAL B 53 -11.750 14.245 -4.351 1.00 0.60 H new ATOM 0 HG23 VAL B 53 -13.429 14.536 -3.839 1.00 0.60 H new ATOM 2389 N ILE B 54 -13.940 9.827 -3.863 1.00 0.42 N ATOM 2390 CA ILE B 54 -13.953 8.391 -3.675 1.00 0.36 C ATOM 2391 C ILE B 54 -14.236 7.667 -4.973 1.00 0.38 C ATOM 2392 O ILE B 54 -13.704 6.593 -5.221 1.00 0.38 O ATOM 2393 CB ILE B 54 -15.005 8.022 -2.642 1.00 0.35 C ATOM 2394 CG1 ILE B 54 -14.575 8.612 -1.306 1.00 0.37 C ATOM 2395 CG2 ILE B 54 -15.198 6.508 -2.557 1.00 0.32 C ATOM 2396 CD1 ILE B 54 -15.472 8.247 -0.160 1.00 0.38 C ATOM 0 H ILE B 54 -14.688 10.317 -3.372 1.00 0.42 H new ATOM 0 HA ILE B 54 -12.967 8.085 -3.326 1.00 0.36 H new ATOM 0 HB ILE B 54 -15.972 8.433 -2.931 1.00 0.35 H new ATOM 0 HG12 ILE B 54 -13.562 8.277 -1.082 1.00 0.37 H new ATOM 0 HG13 ILE B 54 -14.540 9.698 -1.395 1.00 0.37 H new ATOM 0 HG21 ILE B 54 -15.957 6.279 -1.809 1.00 0.32 H new ATOM 0 HG22 ILE B 54 -15.518 6.127 -3.527 1.00 0.32 H new ATOM 0 HG23 ILE B 54 -14.257 6.037 -2.275 1.00 0.32 H new ATOM 0 HD11 ILE B 54 -15.098 8.706 0.755 1.00 0.38 H new ATOM 0 HD12 ILE B 54 -16.482 8.606 -0.360 1.00 0.38 H new ATOM 0 HD13 ILE B 54 -15.489 7.164 -0.042 1.00 0.38 H new ATOM 2408 N ASP B 55 -15.074 8.266 -5.794 1.00 0.43 N ATOM 2409 CA ASP B 55 -15.405 7.704 -7.087 1.00 0.47 C ATOM 2410 C ASP B 55 -14.153 7.646 -7.925 1.00 0.48 C ATOM 2411 O ASP B 55 -13.783 6.602 -8.434 1.00 0.49 O ATOM 2412 CB ASP B 55 -16.435 8.571 -7.787 1.00 0.54 C ATOM 2413 CG ASP B 55 -17.058 7.884 -8.981 1.00 0.85 C ATOM 2414 OD1 ASP B 55 -17.992 7.080 -8.788 1.00 1.43 O ATOM 2415 OD2 ASP B 55 -16.618 8.152 -10.120 1.00 1.53 O ATOM 0 H ASP B 55 -15.541 9.149 -5.586 1.00 0.43 H new ATOM 0 HA ASP B 55 -15.818 6.704 -6.952 1.00 0.47 H new ATOM 0 HB2 ASP B 55 -17.218 8.842 -7.079 1.00 0.54 H new ATOM 0 HB3 ASP B 55 -15.964 9.499 -8.111 1.00 0.54 H new ATOM 2420 N GLU B 56 -13.499 8.788 -8.013 1.00 0.51 N ATOM 2421 CA GLU B 56 -12.235 8.929 -8.715 1.00 0.53 C ATOM 2422 C GLU B 56 -11.240 7.837 -8.316 1.00 0.47 C ATOM 2423 O GLU B 56 -10.605 7.209 -9.169 1.00 0.49 O ATOM 2424 CB GLU B 56 -11.660 10.301 -8.385 1.00 0.58 C ATOM 2425 CG GLU B 56 -12.388 11.448 -9.068 1.00 0.69 C ATOM 2426 CD GLU B 56 -12.456 11.281 -10.570 1.00 1.06 C ATOM 2427 OE1 GLU B 56 -11.430 11.508 -11.243 1.00 1.66 O ATOM 2428 OE2 GLU B 56 -13.541 10.933 -11.090 1.00 1.77 O ATOM 0 H GLU B 56 -13.834 9.656 -7.594 1.00 0.51 H new ATOM 0 HA GLU B 56 -12.411 8.829 -9.786 1.00 0.53 H new ATOM 0 HB2 GLU B 56 -11.696 10.450 -7.306 1.00 0.58 H new ATOM 0 HB3 GLU B 56 -10.610 10.325 -8.675 1.00 0.58 H new ATOM 0 HG2 GLU B 56 -13.399 11.521 -8.668 1.00 0.69 H new ATOM 0 HG3 GLU B 56 -11.884 12.385 -8.833 1.00 0.69 H new ATOM 2435 N ILE B 57 -11.127 7.604 -7.018 1.00 0.42 N ATOM 2436 CA ILE B 57 -10.204 6.621 -6.492 1.00 0.39 C ATOM 2437 C ILE B 57 -10.679 5.204 -6.790 1.00 0.36 C ATOM 2438 O ILE B 57 -9.932 4.394 -7.328 1.00 0.37 O ATOM 2439 CB ILE B 57 -10.067 6.798 -4.984 1.00 0.40 C ATOM 2440 CG1 ILE B 57 -9.596 8.216 -4.662 1.00 0.48 C ATOM 2441 CG2 ILE B 57 -9.106 5.774 -4.426 1.00 0.59 C ATOM 2442 CD1 ILE B 57 -9.566 8.526 -3.187 1.00 1.00 C ATOM 0 H ILE B 57 -11.671 8.090 -6.306 1.00 0.42 H new ATOM 0 HA ILE B 57 -9.239 6.772 -6.975 1.00 0.39 H new ATOM 0 HB ILE B 57 -11.040 6.645 -4.518 1.00 0.40 H new ATOM 0 HG12 ILE B 57 -8.597 8.360 -5.075 1.00 0.48 H new ATOM 0 HG13 ILE B 57 -10.253 8.929 -5.161 1.00 0.48 H new ATOM 0 HG21 ILE B 57 -9.015 5.909 -3.348 1.00 0.59 H new ATOM 0 HG22 ILE B 57 -9.480 4.772 -4.636 1.00 0.59 H new ATOM 0 HG23 ILE B 57 -8.128 5.901 -4.891 1.00 0.59 H new ATOM 0 HD11 ILE B 57 -9.222 9.549 -3.037 1.00 1.00 H new ATOM 0 HD12 ILE B 57 -10.568 8.416 -2.772 1.00 1.00 H new ATOM 0 HD13 ILE B 57 -8.887 7.838 -2.684 1.00 1.00 H new ATOM 2454 N PHE B 58 -11.929 4.925 -6.438 1.00 0.35 N ATOM 2455 CA PHE B 58 -12.537 3.618 -6.659 1.00 0.36 C ATOM 2456 C PHE B 58 -12.400 3.212 -8.112 1.00 0.41 C ATOM 2457 O PHE B 58 -11.997 2.097 -8.422 1.00 0.44 O ATOM 2458 CB PHE B 58 -14.019 3.656 -6.274 1.00 0.38 C ATOM 2459 CG PHE B 58 -14.752 2.373 -6.542 1.00 0.52 C ATOM 2460 CD1 PHE B 58 -14.744 1.350 -5.612 1.00 1.52 C ATOM 2461 CD2 PHE B 58 -15.449 2.191 -7.724 1.00 1.11 C ATOM 2462 CE1 PHE B 58 -15.416 0.169 -5.854 1.00 1.67 C ATOM 2463 CE2 PHE B 58 -16.122 1.012 -7.970 1.00 1.16 C ATOM 2464 CZ PHE B 58 -16.105 0.000 -7.033 1.00 0.93 C ATOM 0 H PHE B 58 -12.550 5.599 -5.991 1.00 0.35 H new ATOM 0 HA PHE B 58 -12.022 2.887 -6.036 1.00 0.36 H new ATOM 0 HB2 PHE B 58 -14.103 3.896 -5.214 1.00 0.38 H new ATOM 0 HB3 PHE B 58 -14.506 4.462 -6.823 1.00 0.38 H new ATOM 0 HD1 PHE B 58 -14.205 1.477 -4.685 1.00 1.52 H new ATOM 0 HD2 PHE B 58 -15.466 2.980 -8.461 1.00 1.11 H new ATOM 0 HE1 PHE B 58 -15.401 -0.622 -5.119 1.00 1.67 H new ATOM 0 HE2 PHE B 58 -16.662 0.882 -8.896 1.00 1.16 H new ATOM 0 HZ PHE B 58 -16.632 -0.923 -7.224 1.00 0.93 H new ATOM 2474 N GLN B 59 -12.723 4.143 -8.989 1.00 0.45 N ATOM 2475 CA GLN B 59 -12.652 3.919 -10.418 1.00 0.52 C ATOM 2476 C GLN B 59 -11.208 3.709 -10.854 1.00 0.52 C ATOM 2477 O GLN B 59 -10.939 3.035 -11.846 1.00 0.57 O ATOM 2478 CB GLN B 59 -13.259 5.109 -11.163 1.00 0.58 C ATOM 2479 CG GLN B 59 -14.734 5.349 -10.859 1.00 0.61 C ATOM 2480 CD GLN B 59 -15.597 4.110 -11.020 1.00 1.10 C ATOM 2481 OE1 GLN B 59 -16.606 3.958 -10.331 1.00 1.91 O ATOM 2482 NE2 GLN B 59 -15.219 3.223 -11.930 1.00 1.63 N ATOM 0 H GLN B 59 -13.042 5.076 -8.729 1.00 0.45 H new ATOM 0 HA GLN B 59 -13.220 3.020 -10.659 1.00 0.52 H new ATOM 0 HB2 GLN B 59 -12.696 6.008 -10.910 1.00 0.58 H new ATOM 0 HB3 GLN B 59 -13.141 4.951 -12.235 1.00 0.58 H new ATOM 0 HG2 GLN B 59 -14.831 5.719 -9.838 1.00 0.61 H new ATOM 0 HG3 GLN B 59 -15.110 6.132 -11.518 1.00 0.61 H new ATOM 0 HE21 GLN B 59 -14.376 3.385 -12.481 1.00 1.63 H new ATOM 0 HE22 GLN B 59 -15.771 2.378 -12.079 1.00 1.63 H new ATOM 2491 N GLY B 60 -10.286 4.295 -10.099 1.00 0.48 N ATOM 2492 CA GLY B 60 -8.875 4.110 -10.362 1.00 0.49 C ATOM 2493 C GLY B 60 -8.403 2.712 -10.012 1.00 0.47 C ATOM 2494 O GLY B 60 -7.450 2.208 -10.604 1.00 0.53 O ATOM 0 H GLY B 60 -10.495 4.899 -9.304 1.00 0.48 H new ATOM 0 HA2 GLY B 60 -8.675 4.305 -11.416 1.00 0.49 H new ATOM 0 HA3 GLY B 60 -8.302 4.839 -9.789 1.00 0.49 H new ATOM 2498 N LEU B 61 -9.072 2.077 -9.055 1.00 0.42 N ATOM 2499 CA LEU B 61 -8.719 0.720 -8.662 1.00 0.44 C ATOM 2500 C LEU B 61 -9.522 -0.255 -9.497 1.00 0.51 C ATOM 2501 O LEU B 61 -9.011 -1.268 -9.970 1.00 0.59 O ATOM 2502 CB LEU B 61 -9.004 0.473 -7.174 1.00 0.39 C ATOM 2503 CG LEU B 61 -9.058 1.723 -6.295 1.00 0.34 C ATOM 2504 CD1 LEU B 61 -9.604 1.372 -4.924 1.00 0.31 C ATOM 2505 CD2 LEU B 61 -7.678 2.355 -6.172 1.00 0.35 C ATOM 0 H LEU B 61 -9.856 2.478 -8.541 1.00 0.42 H new ATOM 0 HA LEU B 61 -7.651 0.578 -8.827 1.00 0.44 H new ATOM 0 HB2 LEU B 61 -9.955 -0.052 -7.087 1.00 0.39 H new ATOM 0 HB3 LEU B 61 -8.236 -0.193 -6.781 1.00 0.39 H new ATOM 0 HG LEU B 61 -9.723 2.448 -6.764 1.00 0.34 H new ATOM 0 HD11 LEU B 61 -9.638 2.269 -4.306 1.00 0.31 H new ATOM 0 HD12 LEU B 61 -10.609 0.963 -5.026 1.00 0.31 H new ATOM 0 HD13 LEU B 61 -8.957 0.631 -4.453 1.00 0.31 H new ATOM 0 HD21 LEU B 61 -7.739 3.243 -5.543 1.00 0.35 H new ATOM 0 HD22 LEU B 61 -6.989 1.639 -5.724 1.00 0.35 H new ATOM 0 HD23 LEU B 61 -7.317 2.636 -7.161 1.00 0.35 H new ATOM 2517 N ASP B 62 -10.787 0.080 -9.684 1.00 0.51 N ATOM 2518 CA ASP B 62 -11.689 -0.730 -10.479 1.00 0.59 C ATOM 2519 C ASP B 62 -11.495 -0.441 -11.958 1.00 0.70 C ATOM 2520 O ASP B 62 -12.338 0.173 -12.614 1.00 0.75 O ATOM 2521 CB ASP B 62 -13.142 -0.478 -10.074 1.00 0.57 C ATOM 2522 CG ASP B 62 -14.114 -1.355 -10.843 1.00 0.64 C ATOM 2523 OD1 ASP B 62 -13.788 -2.534 -11.104 1.00 1.11 O ATOM 2524 OD2 ASP B 62 -15.201 -0.864 -11.206 1.00 1.40 O ATOM 0 H ASP B 62 -11.215 0.918 -9.290 1.00 0.51 H new ATOM 0 HA ASP B 62 -11.459 -1.779 -10.295 1.00 0.59 H new ATOM 0 HB2 ASP B 62 -13.256 -0.662 -9.006 1.00 0.57 H new ATOM 0 HB3 ASP B 62 -13.388 0.570 -10.245 1.00 0.57 H new ATOM 2529 N ALA B 63 -10.363 -0.886 -12.475 1.00 0.78 N ATOM 2530 CA ALA B 63 -10.074 -0.779 -13.895 1.00 0.94 C ATOM 2531 C ALA B 63 -10.967 -1.732 -14.667 1.00 1.12 C ATOM 2532 O ALA B 63 -11.118 -1.631 -15.884 1.00 1.31 O ATOM 2533 CB ALA B 63 -8.611 -1.087 -14.159 1.00 1.00 C ATOM 0 H ALA B 63 -9.624 -1.328 -11.928 1.00 0.78 H new ATOM 0 HA ALA B 63 -10.272 0.240 -14.227 1.00 0.94 H new ATOM 0 HB1 ALA B 63 -8.408 -1.003 -15.227 1.00 1.00 H new ATOM 0 HB2 ALA B 63 -7.986 -0.379 -13.614 1.00 1.00 H new ATOM 0 HB3 ALA B 63 -8.387 -2.100 -13.826 1.00 1.00 H new ATOM 2539 N ASN B 64 -11.553 -2.664 -13.929 1.00 1.10 N ATOM 2540 CA ASN B 64 -12.432 -3.671 -14.494 1.00 1.28 C ATOM 2541 C ASN B 64 -13.764 -3.049 -14.885 1.00 1.22 C ATOM 2542 O ASN B 64 -14.505 -3.598 -15.701 1.00 1.37 O ATOM 2543 CB ASN B 64 -12.676 -4.789 -13.477 1.00 1.34 C ATOM 2544 CG ASN B 64 -11.446 -5.102 -12.653 1.00 2.04 C ATOM 2545 OD1 ASN B 64 -10.617 -5.926 -13.037 1.00 2.56 O ATOM 2546 ND2 ASN B 64 -11.330 -4.449 -11.503 1.00 2.80 N ATOM 0 H ASN B 64 -11.430 -2.741 -12.919 1.00 1.10 H new ATOM 0 HA ASN B 64 -11.954 -4.086 -15.381 1.00 1.28 H new ATOM 0 HB2 ASN B 64 -13.490 -4.500 -12.813 1.00 1.34 H new ATOM 0 HB3 ASN B 64 -12.997 -5.689 -14.001 1.00 1.34 H new ATOM 0 HD21 ASN B 64 -10.528 -4.622 -10.897 1.00 2.80 H new ATOM 0 HD22 ASN B 64 -12.043 -3.774 -11.226 1.00 2.80 H new ATOM 2553 N GLN B 65 -14.045 -1.887 -14.283 1.00 1.04 N ATOM 2554 CA GLN B 65 -15.287 -1.155 -14.510 1.00 1.06 C ATOM 2555 C GLN B 65 -16.483 -2.025 -14.155 1.00 1.04 C ATOM 2556 O GLN B 65 -17.504 -2.016 -14.843 1.00 1.17 O ATOM 2557 CB GLN B 65 -15.382 -0.681 -15.966 1.00 1.32 C ATOM 2558 CG GLN B 65 -14.251 0.251 -16.378 1.00 1.38 C ATOM 2559 CD GLN B 65 -14.224 1.543 -15.578 1.00 2.03 C ATOM 2560 OE1 GLN B 65 -13.163 2.119 -15.342 1.00 2.72 O ATOM 2561 NE2 GLN B 65 -15.391 2.016 -15.168 1.00 2.58 N ATOM 0 H GLN B 65 -13.413 -1.431 -13.625 1.00 1.04 H new ATOM 0 HA GLN B 65 -15.290 -0.276 -13.866 1.00 1.06 H new ATOM 0 HB2 GLN B 65 -15.383 -1.551 -16.623 1.00 1.32 H new ATOM 0 HB3 GLN B 65 -16.334 -0.170 -16.112 1.00 1.32 H new ATOM 0 HG2 GLN B 65 -13.299 -0.266 -16.255 1.00 1.38 H new ATOM 0 HG3 GLN B 65 -14.351 0.488 -17.437 1.00 1.38 H new ATOM 0 HE21 GLN B 65 -16.250 1.510 -15.383 1.00 2.58 H new ATOM 0 HE22 GLN B 65 -15.431 2.886 -14.637 1.00 2.58 H new ATOM 2570 N ASP B 66 -16.353 -2.776 -13.070 1.00 0.93 N ATOM 2571 CA ASP B 66 -17.379 -3.732 -12.687 1.00 0.95 C ATOM 2572 C ASP B 66 -17.861 -3.468 -11.264 1.00 0.81 C ATOM 2573 O ASP B 66 -18.668 -4.220 -10.717 1.00 0.82 O ATOM 2574 CB ASP B 66 -16.838 -5.157 -12.819 1.00 1.06 C ATOM 2575 CG ASP B 66 -17.935 -6.198 -12.914 1.00 1.43 C ATOM 2576 OD1 ASP B 66 -18.730 -6.143 -13.879 1.00 2.14 O ATOM 2577 OD2 ASP B 66 -18.000 -7.082 -12.038 1.00 1.88 O ATOM 0 H ASP B 66 -15.550 -2.741 -12.442 1.00 0.93 H new ATOM 0 HA ASP B 66 -18.232 -3.616 -13.356 1.00 0.95 H new ATOM 0 HB2 ASP B 66 -16.207 -5.220 -13.705 1.00 1.06 H new ATOM 0 HB3 ASP B 66 -16.205 -5.381 -11.960 1.00 1.06 H new ATOM 2582 N GLU B 67 -17.344 -2.389 -10.679 1.00 0.73 N ATOM 2583 CA GLU B 67 -17.730 -1.939 -9.345 1.00 0.63 C ATOM 2584 C GLU B 67 -17.311 -2.962 -8.287 1.00 0.58 C ATOM 2585 O GLU B 67 -18.096 -3.343 -7.416 1.00 0.61 O ATOM 2586 CB GLU B 67 -19.239 -1.651 -9.280 1.00 0.68 C ATOM 2587 CG GLU B 67 -19.669 -0.881 -8.037 1.00 0.97 C ATOM 2588 CD GLU B 67 -21.139 -0.511 -8.048 1.00 1.42 C ATOM 2589 OE1 GLU B 67 -21.974 -1.360 -7.666 1.00 2.01 O ATOM 2590 OE2 GLU B 67 -21.466 0.634 -8.428 1.00 2.00 O ATOM 0 H GLU B 67 -16.640 -1.799 -11.122 1.00 0.73 H new ATOM 0 HA GLU B 67 -17.207 -1.007 -9.132 1.00 0.63 H new ATOM 0 HB2 GLU B 67 -19.529 -1.084 -10.165 1.00 0.68 H new ATOM 0 HB3 GLU B 67 -19.781 -2.596 -9.315 1.00 0.68 H new ATOM 0 HG2 GLU B 67 -19.458 -1.482 -7.153 1.00 0.97 H new ATOM 0 HG3 GLU B 67 -19.072 0.027 -7.954 1.00 0.97 H new ATOM 2597 N GLN B 68 -16.063 -3.407 -8.374 1.00 0.62 N ATOM 2598 CA GLN B 68 -15.520 -4.363 -7.415 1.00 0.66 C ATOM 2599 C GLN B 68 -14.074 -4.032 -7.067 1.00 0.66 C ATOM 2600 O GLN B 68 -13.201 -4.036 -7.938 1.00 0.78 O ATOM 2601 CB GLN B 68 -15.582 -5.788 -7.971 1.00 0.86 C ATOM 2602 CG GLN B 68 -16.990 -6.332 -8.132 1.00 1.38 C ATOM 2603 CD GLN B 68 -16.999 -7.777 -8.582 1.00 1.64 C ATOM 2604 OE1 GLN B 68 -16.079 -8.540 -8.280 1.00 2.16 O ATOM 2605 NE2 GLN B 68 -18.035 -8.167 -9.302 1.00 2.07 N ATOM 0 H GLN B 68 -15.406 -3.121 -9.100 1.00 0.62 H new ATOM 0 HA GLN B 68 -16.130 -4.297 -6.514 1.00 0.66 H new ATOM 0 HB2 GLN B 68 -15.083 -5.810 -8.940 1.00 0.86 H new ATOM 0 HB3 GLN B 68 -15.023 -6.449 -7.309 1.00 0.86 H new ATOM 0 HG2 GLN B 68 -17.521 -6.246 -7.184 1.00 1.38 H new ATOM 0 HG3 GLN B 68 -17.531 -5.724 -8.857 1.00 1.38 H new ATOM 0 HE21 GLN B 68 -18.776 -7.504 -9.530 1.00 2.07 H new ATOM 0 HE22 GLN B 68 -18.094 -9.131 -9.630 1.00 2.07 H new ATOM 2614 N VAL B 69 -13.827 -3.740 -5.799 1.00 0.59 N ATOM 2615 CA VAL B 69 -12.476 -3.551 -5.309 1.00 0.64 C ATOM 2616 C VAL B 69 -12.046 -4.737 -4.450 1.00 0.64 C ATOM 2617 O VAL B 69 -12.517 -4.924 -3.330 1.00 0.68 O ATOM 2618 CB VAL B 69 -12.344 -2.231 -4.513 1.00 0.72 C ATOM 2619 CG1 VAL B 69 -11.058 -2.189 -3.700 1.00 1.81 C ATOM 2620 CG2 VAL B 69 -12.391 -1.051 -5.465 1.00 1.22 C ATOM 0 H VAL B 69 -14.551 -3.629 -5.089 1.00 0.59 H new ATOM 0 HA VAL B 69 -11.815 -3.488 -6.174 1.00 0.64 H new ATOM 0 HB VAL B 69 -13.180 -2.176 -3.816 1.00 0.72 H new ATOM 0 HG11 VAL B 69 -11.002 -1.246 -3.155 1.00 1.81 H new ATOM 0 HG12 VAL B 69 -11.048 -3.018 -2.992 1.00 1.81 H new ATOM 0 HG13 VAL B 69 -10.202 -2.272 -4.369 1.00 1.81 H new ATOM 0 HG21 VAL B 69 -12.298 -0.124 -4.900 1.00 1.22 H new ATOM 0 HG22 VAL B 69 -11.570 -1.126 -6.178 1.00 1.22 H new ATOM 0 HG23 VAL B 69 -13.339 -1.055 -6.002 1.00 1.22 H new ATOM 2630 N ASP B 70 -11.160 -5.547 -5.006 1.00 0.67 N ATOM 2631 CA ASP B 70 -10.564 -6.665 -4.284 1.00 0.73 C ATOM 2632 C ASP B 70 -9.459 -6.139 -3.377 1.00 0.64 C ATOM 2633 O ASP B 70 -9.143 -4.956 -3.429 1.00 0.56 O ATOM 2634 CB ASP B 70 -9.991 -7.679 -5.285 1.00 0.84 C ATOM 2635 CG ASP B 70 -9.371 -8.904 -4.633 1.00 1.38 C ATOM 2636 OD1 ASP B 70 -10.116 -9.848 -4.289 1.00 1.98 O ATOM 2637 OD2 ASP B 70 -8.133 -8.933 -4.468 1.00 2.02 O ATOM 0 H ASP B 70 -10.833 -5.451 -5.967 1.00 0.67 H new ATOM 0 HA ASP B 70 -11.322 -7.161 -3.678 1.00 0.73 H new ATOM 0 HB2 ASP B 70 -10.786 -8.001 -5.957 1.00 0.84 H new ATOM 0 HB3 ASP B 70 -9.237 -7.184 -5.897 1.00 0.84 H new ATOM 2642 N PHE B 71 -8.867 -6.995 -2.559 1.00 0.70 N ATOM 2643 CA PHE B 71 -7.716 -6.599 -1.758 1.00 0.67 C ATOM 2644 C PHE B 71 -6.599 -6.082 -2.664 1.00 0.56 C ATOM 2645 O PHE B 71 -5.834 -5.204 -2.281 1.00 0.48 O ATOM 2646 CB PHE B 71 -7.213 -7.773 -0.913 1.00 0.83 C ATOM 2647 CG PHE B 71 -8.166 -8.188 0.174 1.00 1.12 C ATOM 2648 CD1 PHE B 71 -9.310 -8.912 -0.123 1.00 1.50 C ATOM 2649 CD2 PHE B 71 -7.919 -7.848 1.495 1.00 1.93 C ATOM 2650 CE1 PHE B 71 -10.188 -9.289 0.874 1.00 1.76 C ATOM 2651 CE2 PHE B 71 -8.795 -8.221 2.497 1.00 2.18 C ATOM 2652 CZ PHE B 71 -9.930 -8.942 2.186 1.00 1.77 C ATOM 0 H PHE B 71 -9.161 -7.963 -2.431 1.00 0.70 H new ATOM 0 HA PHE B 71 -8.024 -5.800 -1.084 1.00 0.67 H new ATOM 0 HB2 PHE B 71 -7.027 -8.626 -1.566 1.00 0.83 H new ATOM 0 HB3 PHE B 71 -6.258 -7.502 -0.463 1.00 0.83 H new ATOM 0 HD1 PHE B 71 -9.517 -9.185 -1.147 1.00 1.50 H new ATOM 0 HD2 PHE B 71 -7.032 -7.285 1.744 1.00 1.93 H new ATOM 0 HE1 PHE B 71 -11.075 -9.854 0.628 1.00 1.76 H new ATOM 0 HE2 PHE B 71 -8.592 -7.949 3.522 1.00 2.18 H new ATOM 0 HZ PHE B 71 -10.616 -9.235 2.967 1.00 1.77 H new ATOM 2662 N GLN B 72 -6.530 -6.623 -3.878 1.00 0.60 N ATOM 2663 CA GLN B 72 -5.550 -6.176 -4.861 1.00 0.57 C ATOM 2664 C GLN B 72 -5.917 -4.803 -5.426 1.00 0.50 C ATOM 2665 O GLN B 72 -5.054 -3.951 -5.635 1.00 0.47 O ATOM 2666 CB GLN B 72 -5.420 -7.198 -5.987 1.00 0.70 C ATOM 2667 CG GLN B 72 -4.401 -6.800 -7.036 1.00 0.75 C ATOM 2668 CD GLN B 72 -4.190 -7.870 -8.088 1.00 1.09 C ATOM 2669 OE1 GLN B 72 -5.101 -8.631 -8.411 1.00 1.67 O ATOM 2670 NE2 GLN B 72 -2.982 -7.939 -8.623 1.00 1.66 N ATOM 0 H GLN B 72 -7.142 -7.372 -4.203 1.00 0.60 H new ATOM 0 HA GLN B 72 -4.588 -6.085 -4.357 1.00 0.57 H new ATOM 0 HB2 GLN B 72 -5.139 -8.162 -5.564 1.00 0.70 H new ATOM 0 HB3 GLN B 72 -6.391 -7.330 -6.464 1.00 0.70 H new ATOM 0 HG2 GLN B 72 -4.727 -5.880 -7.521 1.00 0.75 H new ATOM 0 HG3 GLN B 72 -3.450 -6.584 -6.548 1.00 0.75 H new ATOM 0 HE21 GLN B 72 -2.255 -7.288 -8.326 1.00 1.66 H new ATOM 0 HE22 GLN B 72 -2.778 -8.643 -9.332 1.00 1.66 H new ATOM 2679 N GLU B 73 -7.193 -4.584 -5.667 1.00 0.50 N ATOM 2680 CA GLU B 73 -7.656 -3.278 -6.123 1.00 0.47 C ATOM 2681 C GLU B 73 -7.549 -2.275 -4.976 1.00 0.36 C ATOM 2682 O GLU B 73 -7.301 -1.088 -5.179 1.00 0.33 O ATOM 2683 CB GLU B 73 -9.094 -3.371 -6.642 1.00 0.56 C ATOM 2684 CG GLU B 73 -9.324 -4.523 -7.618 1.00 0.78 C ATOM 2685 CD GLU B 73 -8.475 -4.438 -8.874 1.00 1.16 C ATOM 2686 OE1 GLU B 73 -7.233 -4.473 -8.766 1.00 1.99 O ATOM 2687 OE2 GLU B 73 -9.051 -4.378 -9.983 1.00 1.82 O ATOM 0 H GLU B 73 -7.927 -5.283 -5.558 1.00 0.50 H new ATOM 0 HA GLU B 73 -7.029 -2.938 -6.947 1.00 0.47 H new ATOM 0 HB2 GLU B 73 -9.770 -3.485 -5.794 1.00 0.56 H new ATOM 0 HB3 GLU B 73 -9.354 -2.433 -7.133 1.00 0.56 H new ATOM 0 HG2 GLU B 73 -9.113 -5.465 -7.111 1.00 0.78 H new ATOM 0 HG3 GLU B 73 -10.376 -4.542 -7.902 1.00 0.78 H new ATOM 2694 N PHE B 74 -7.709 -2.774 -3.762 1.00 0.37 N ATOM 2695 CA PHE B 74 -7.493 -1.976 -2.568 1.00 0.34 C ATOM 2696 C PHE B 74 -6.003 -1.736 -2.376 1.00 0.32 C ATOM 2697 O PHE B 74 -5.589 -0.798 -1.704 1.00 0.34 O ATOM 2698 CB PHE B 74 -8.076 -2.689 -1.349 1.00 0.43 C ATOM 2699 CG PHE B 74 -8.013 -1.876 -0.087 1.00 0.78 C ATOM 2700 CD1 PHE B 74 -8.883 -0.817 0.111 1.00 1.32 C ATOM 2701 CD2 PHE B 74 -7.090 -2.175 0.901 1.00 1.44 C ATOM 2702 CE1 PHE B 74 -8.833 -0.071 1.271 1.00 1.77 C ATOM 2703 CE2 PHE B 74 -7.035 -1.430 2.063 1.00 1.92 C ATOM 2704 CZ PHE B 74 -7.908 -0.377 2.249 1.00 1.90 C ATOM 0 H PHE B 74 -7.990 -3.737 -3.577 1.00 0.37 H new ATOM 0 HA PHE B 74 -7.995 -1.015 -2.682 1.00 0.34 H new ATOM 0 HB2 PHE B 74 -9.115 -2.948 -1.553 1.00 0.43 H new ATOM 0 HB3 PHE B 74 -7.539 -3.625 -1.195 1.00 0.43 H new ATOM 0 HD1 PHE B 74 -9.609 -0.572 -0.651 1.00 1.32 H new ATOM 0 HD2 PHE B 74 -6.406 -2.999 0.762 1.00 1.44 H new ATOM 0 HE1 PHE B 74 -9.517 0.752 1.414 1.00 1.77 H new ATOM 0 HE2 PHE B 74 -6.309 -1.671 2.826 1.00 1.92 H new ATOM 0 HZ PHE B 74 -7.867 0.206 3.157 1.00 1.90 H new ATOM 2714 N ILE B 75 -5.206 -2.583 -3.001 1.00 0.33 N ATOM 2715 CA ILE B 75 -3.766 -2.446 -2.975 1.00 0.36 C ATOM 2716 C ILE B 75 -3.373 -1.188 -3.732 1.00 0.34 C ATOM 2717 O ILE B 75 -2.523 -0.414 -3.285 1.00 0.36 O ATOM 2718 CB ILE B 75 -3.089 -3.705 -3.571 1.00 0.41 C ATOM 2719 CG1 ILE B 75 -2.594 -4.614 -2.457 1.00 0.49 C ATOM 2720 CG2 ILE B 75 -1.955 -3.344 -4.511 1.00 0.46 C ATOM 2721 CD1 ILE B 75 -2.394 -6.042 -2.903 1.00 0.67 C ATOM 0 H ILE B 75 -5.540 -3.383 -3.539 1.00 0.33 H new ATOM 0 HA ILE B 75 -3.423 -2.355 -1.944 1.00 0.36 H new ATOM 0 HB ILE B 75 -3.838 -4.238 -4.157 1.00 0.41 H new ATOM 0 HG12 ILE B 75 -1.652 -4.225 -2.070 1.00 0.49 H new ATOM 0 HG13 ILE B 75 -3.309 -4.593 -1.635 1.00 0.49 H new ATOM 0 HG21 ILE B 75 -1.507 -4.255 -4.907 1.00 0.46 H new ATOM 0 HG22 ILE B 75 -2.342 -2.742 -5.334 1.00 0.46 H new ATOM 0 HG23 ILE B 75 -1.200 -2.775 -3.969 1.00 0.46 H new ATOM 0 HD11 ILE B 75 -2.040 -6.639 -2.063 1.00 0.67 H new ATOM 0 HD12 ILE B 75 -3.340 -6.447 -3.263 1.00 0.67 H new ATOM 0 HD13 ILE B 75 -1.657 -6.073 -3.706 1.00 0.67 H new ATOM 2733 N SER B 76 -4.026 -0.965 -4.867 1.00 0.34 N ATOM 2734 CA SER B 76 -3.851 0.276 -5.588 1.00 0.36 C ATOM 2735 C SER B 76 -4.462 1.439 -4.807 1.00 0.31 C ATOM 2736 O SER B 76 -4.005 2.564 -4.917 1.00 0.33 O ATOM 2737 CB SER B 76 -4.429 0.178 -7.000 1.00 0.45 C ATOM 2738 OG SER B 76 -5.567 -0.668 -7.044 1.00 0.74 O ATOM 0 H SER B 76 -4.674 -1.624 -5.299 1.00 0.34 H new ATOM 0 HA SER B 76 -2.783 0.468 -5.690 1.00 0.36 H new ATOM 0 HB2 SER B 76 -4.702 1.173 -7.351 1.00 0.45 H new ATOM 0 HB3 SER B 76 -3.666 -0.202 -7.680 1.00 0.45 H new ATOM 0 HG SER B 76 -6.140 -0.486 -6.270 1.00 0.74 H new ATOM 2744 N LEU B 77 -5.474 1.160 -3.990 1.00 0.28 N ATOM 2745 CA LEU B 77 -6.047 2.184 -3.112 1.00 0.26 C ATOM 2746 C LEU B 77 -4.981 2.685 -2.150 1.00 0.23 C ATOM 2747 O LEU B 77 -4.826 3.888 -1.954 1.00 0.23 O ATOM 2748 CB LEU B 77 -7.260 1.617 -2.342 1.00 0.30 C ATOM 2749 CG LEU B 77 -7.946 2.541 -1.315 1.00 0.38 C ATOM 2750 CD1 LEU B 77 -7.176 2.605 -0.001 1.00 1.11 C ATOM 2751 CD2 LEU B 77 -8.131 3.936 -1.880 1.00 1.14 C ATOM 0 H LEU B 77 -5.913 0.242 -3.915 1.00 0.28 H new ATOM 0 HA LEU B 77 -6.396 3.021 -3.717 1.00 0.26 H new ATOM 0 HB2 LEU B 77 -8.009 1.311 -3.072 1.00 0.30 H new ATOM 0 HB3 LEU B 77 -6.936 0.716 -1.821 1.00 0.30 H new ATOM 0 HG LEU B 77 -8.926 2.112 -1.106 1.00 0.38 H new ATOM 0 HD11 LEU B 77 -7.695 3.267 0.693 1.00 1.11 H new ATOM 0 HD12 LEU B 77 -7.110 1.606 0.431 1.00 1.11 H new ATOM 0 HD13 LEU B 77 -6.172 2.988 -0.186 1.00 1.11 H new ATOM 0 HD21 LEU B 77 -8.617 4.568 -1.137 1.00 1.14 H new ATOM 0 HD22 LEU B 77 -7.159 4.357 -2.135 1.00 1.14 H new ATOM 0 HD23 LEU B 77 -8.751 3.887 -2.775 1.00 1.14 H new ATOM 2763 N VAL B 78 -4.241 1.756 -1.564 1.00 0.24 N ATOM 2764 CA VAL B 78 -3.189 2.112 -0.628 1.00 0.25 C ATOM 2765 C VAL B 78 -2.081 2.853 -1.360 1.00 0.27 C ATOM 2766 O VAL B 78 -1.368 3.651 -0.775 1.00 0.28 O ATOM 2767 CB VAL B 78 -2.604 0.875 0.079 1.00 0.29 C ATOM 2768 CG1 VAL B 78 -1.694 1.293 1.216 1.00 0.33 C ATOM 2769 CG2 VAL B 78 -3.714 -0.032 0.586 1.00 0.31 C ATOM 0 H VAL B 78 -4.350 0.754 -1.720 1.00 0.24 H new ATOM 0 HA VAL B 78 -3.629 2.754 0.135 1.00 0.25 H new ATOM 0 HB VAL B 78 -2.013 0.315 -0.646 1.00 0.29 H new ATOM 0 HG11 VAL B 78 -1.290 0.406 1.704 1.00 0.33 H new ATOM 0 HG12 VAL B 78 -0.875 1.896 0.824 1.00 0.33 H new ATOM 0 HG13 VAL B 78 -2.261 1.878 1.940 1.00 0.33 H new ATOM 0 HG21 VAL B 78 -3.277 -0.899 1.082 1.00 0.31 H new ATOM 0 HG22 VAL B 78 -4.336 0.515 1.294 1.00 0.31 H new ATOM 0 HG23 VAL B 78 -4.325 -0.364 -0.254 1.00 0.31 H new ATOM 2779 N ALA B 79 -1.956 2.593 -2.651 1.00 0.31 N ATOM 2780 CA ALA B 79 -1.031 3.336 -3.490 1.00 0.36 C ATOM 2781 C ALA B 79 -1.441 4.804 -3.552 1.00 0.33 C ATOM 2782 O ALA B 79 -0.614 5.706 -3.419 1.00 0.34 O ATOM 2783 CB ALA B 79 -0.992 2.729 -4.884 1.00 0.43 C ATOM 0 H ALA B 79 -2.485 1.872 -3.141 1.00 0.31 H new ATOM 0 HA ALA B 79 -0.032 3.277 -3.059 1.00 0.36 H new ATOM 0 HB1 ALA B 79 -0.296 3.292 -5.507 1.00 0.43 H new ATOM 0 HB2 ALA B 79 -0.664 1.691 -4.820 1.00 0.43 H new ATOM 0 HB3 ALA B 79 -1.988 2.768 -5.326 1.00 0.43 H new ATOM 2789 N ILE B 80 -2.735 5.024 -3.743 1.00 0.32 N ATOM 2790 CA ILE B 80 -3.313 6.363 -3.732 1.00 0.32 C ATOM 2791 C ILE B 80 -3.158 6.995 -2.350 1.00 0.28 C ATOM 2792 O ILE B 80 -2.837 8.178 -2.216 1.00 0.31 O ATOM 2793 CB ILE B 80 -4.823 6.318 -4.113 1.00 0.34 C ATOM 2794 CG1 ILE B 80 -5.028 6.225 -5.631 1.00 0.38 C ATOM 2795 CG2 ILE B 80 -5.573 7.526 -3.563 1.00 0.36 C ATOM 2796 CD1 ILE B 80 -4.362 5.037 -6.288 1.00 0.40 C ATOM 0 H ILE B 80 -3.414 4.281 -3.910 1.00 0.32 H new ATOM 0 HA ILE B 80 -2.781 6.965 -4.469 1.00 0.32 H new ATOM 0 HB ILE B 80 -5.231 5.416 -3.658 1.00 0.34 H new ATOM 0 HG12 ILE B 80 -6.098 6.185 -5.837 1.00 0.38 H new ATOM 0 HG13 ILE B 80 -4.649 7.137 -6.092 1.00 0.38 H new ATOM 0 HG21 ILE B 80 -6.623 7.463 -3.847 1.00 0.36 H new ATOM 0 HG22 ILE B 80 -5.492 7.541 -2.476 1.00 0.36 H new ATOM 0 HG23 ILE B 80 -5.141 8.439 -3.972 1.00 0.36 H new ATOM 0 HD11 ILE B 80 -4.561 5.055 -7.359 1.00 0.40 H new ATOM 0 HD12 ILE B 80 -3.286 5.083 -6.118 1.00 0.40 H new ATOM 0 HD13 ILE B 80 -4.758 4.116 -5.860 1.00 0.40 H new ATOM 2808 N ALA B 81 -3.360 6.180 -1.331 1.00 0.23 N ATOM 2809 CA ALA B 81 -3.409 6.649 0.041 1.00 0.23 C ATOM 2810 C ALA B 81 -2.026 6.956 0.611 1.00 0.23 C ATOM 2811 O ALA B 81 -1.845 7.960 1.291 1.00 0.28 O ATOM 2812 CB ALA B 81 -4.129 5.627 0.891 1.00 0.24 C ATOM 0 H ALA B 81 -3.495 5.174 -1.432 1.00 0.23 H new ATOM 0 HA ALA B 81 -3.956 7.592 0.053 1.00 0.23 H new ATOM 0 HB1 ALA B 81 -4.168 5.975 1.923 1.00 0.24 H new ATOM 0 HB2 ALA B 81 -5.143 5.491 0.515 1.00 0.24 H new ATOM 0 HB3 ALA B 81 -3.595 4.677 0.848 1.00 0.24 H new ATOM 2818 N LEU B 82 -1.058 6.092 0.343 1.00 0.22 N ATOM 2819 CA LEU B 82 0.318 6.333 0.761 1.00 0.23 C ATOM 2820 C LEU B 82 0.855 7.559 0.048 1.00 0.24 C ATOM 2821 O LEU B 82 1.645 8.330 0.601 1.00 0.30 O ATOM 2822 CB LEU B 82 1.204 5.133 0.447 1.00 0.25 C ATOM 2823 CG LEU B 82 0.882 3.851 1.209 1.00 0.27 C ATOM 2824 CD1 LEU B 82 1.738 2.715 0.690 1.00 0.33 C ATOM 2825 CD2 LEU B 82 1.103 4.039 2.699 1.00 0.32 C ATOM 0 H LEU B 82 -1.199 5.217 -0.162 1.00 0.22 H new ATOM 0 HA LEU B 82 0.327 6.494 1.839 1.00 0.23 H new ATOM 0 HB2 LEU B 82 1.136 4.925 -0.621 1.00 0.25 H new ATOM 0 HB3 LEU B 82 2.239 5.406 0.654 1.00 0.25 H new ATOM 0 HG LEU B 82 -0.168 3.607 1.050 1.00 0.27 H new ATOM 0 HD11 LEU B 82 1.503 1.803 1.238 1.00 0.33 H new ATOM 0 HD12 LEU B 82 1.537 2.563 -0.370 1.00 0.33 H new ATOM 0 HD13 LEU B 82 2.791 2.960 0.828 1.00 0.33 H new ATOM 0 HD21 LEU B 82 0.867 3.112 3.222 1.00 0.32 H new ATOM 0 HD22 LEU B 82 2.144 4.304 2.882 1.00 0.32 H new ATOM 0 HD23 LEU B 82 0.456 4.837 3.065 1.00 0.32 H new ATOM 2837 N LYS B 83 0.414 7.734 -1.189 1.00 0.26 N ATOM 2838 CA LYS B 83 0.749 8.918 -1.951 1.00 0.33 C ATOM 2839 C LYS B 83 0.143 10.136 -1.280 1.00 0.31 C ATOM 2840 O LYS B 83 0.794 11.153 -1.119 1.00 0.44 O ATOM 2841 CB LYS B 83 0.240 8.806 -3.385 1.00 0.42 C ATOM 2842 CG LYS B 83 1.318 9.067 -4.413 1.00 0.66 C ATOM 2843 CD LYS B 83 1.763 10.505 -4.333 1.00 1.04 C ATOM 2844 CE LYS B 83 3.096 10.734 -5.012 1.00 0.80 C ATOM 2845 NZ LYS B 83 3.022 10.567 -6.490 1.00 1.67 N ATOM 0 H LYS B 83 -0.178 7.067 -1.684 1.00 0.26 H new ATOM 0 HA LYS B 83 1.834 9.018 -1.984 1.00 0.33 H new ATOM 0 HB2 LYS B 83 -0.172 7.809 -3.542 1.00 0.42 H new ATOM 0 HB3 LYS B 83 -0.575 9.514 -3.532 1.00 0.42 H new ATOM 0 HG2 LYS B 83 2.166 8.404 -4.240 1.00 0.66 H new ATOM 0 HG3 LYS B 83 0.941 8.849 -5.412 1.00 0.66 H new ATOM 0 HD2 LYS B 83 1.009 11.142 -4.795 1.00 1.04 H new ATOM 0 HD3 LYS B 83 1.835 10.803 -3.287 1.00 1.04 H new ATOM 0 HE2 LYS B 83 3.449 11.739 -4.781 1.00 0.80 H new ATOM 0 HE3 LYS B 83 3.830 10.037 -4.608 1.00 0.80 H new ATOM 0 HZ1 LYS B 83 3.960 10.735 -6.906 1.00 1.67 H new ATOM 0 HZ2 LYS B 83 2.711 9.600 -6.715 1.00 1.67 H new ATOM 0 HZ3 LYS B 83 2.343 11.249 -6.883 1.00 1.67 H new ATOM 2859 N ALA B 84 -1.109 10.008 -0.877 1.00 0.31 N ATOM 2860 CA ALA B 84 -1.794 11.056 -0.139 1.00 0.35 C ATOM 2861 C ALA B 84 -1.135 11.300 1.219 1.00 0.33 C ATOM 2862 O ALA B 84 -1.342 12.337 1.833 1.00 0.40 O ATOM 2863 CB ALA B 84 -3.258 10.699 0.038 1.00 0.48 C ATOM 0 H ALA B 84 -1.678 9.179 -1.051 1.00 0.31 H new ATOM 0 HA ALA B 84 -1.722 11.979 -0.715 1.00 0.35 H new ATOM 0 HB1 ALA B 84 -3.761 11.491 0.592 1.00 0.48 H new ATOM 0 HB2 ALA B 84 -3.726 10.587 -0.940 1.00 0.48 H new ATOM 0 HB3 ALA B 84 -3.340 9.762 0.589 1.00 0.48 H new ATOM 2869 N ALA B 85 -0.379 10.324 1.698 1.00 0.30 N ATOM 2870 CA ALA B 85 0.301 10.435 2.981 1.00 0.38 C ATOM 2871 C ALA B 85 1.589 11.256 2.873 1.00 0.44 C ATOM 2872 O ALA B 85 1.766 12.236 3.599 1.00 0.57 O ATOM 2873 CB ALA B 85 0.592 9.050 3.533 1.00 0.42 C ATOM 0 H ALA B 85 -0.220 9.440 1.214 1.00 0.30 H new ATOM 0 HA ALA B 85 -0.360 10.963 3.668 1.00 0.38 H new ATOM 0 HB1 ALA B 85 1.101 9.140 4.493 1.00 0.42 H new ATOM 0 HB2 ALA B 85 -0.344 8.508 3.668 1.00 0.42 H new ATOM 0 HB3 ALA B 85 1.228 8.506 2.835 1.00 0.42 H new ATOM 2879 N HIS B 86 2.490 10.859 1.978 1.00 0.44 N ATOM 2880 CA HIS B 86 3.767 11.566 1.810 1.00 0.59 C ATOM 2881 C HIS B 86 3.584 12.815 0.951 1.00 0.63 C ATOM 2882 O HIS B 86 4.055 13.899 1.286 1.00 0.72 O ATOM 2883 CB HIS B 86 4.809 10.642 1.174 1.00 0.69 C ATOM 2884 CG HIS B 86 6.132 11.304 0.910 1.00 1.28 C ATOM 2885 ND1 HIS B 86 7.113 11.454 1.869 1.00 2.06 N ATOM 2886 CD2 HIS B 86 6.629 11.864 -0.219 1.00 2.11 C ATOM 2887 CE1 HIS B 86 8.151 12.076 1.339 1.00 2.66 C ATOM 2888 NE2 HIS B 86 7.882 12.334 0.074 1.00 2.68 N ATOM 0 H HIS B 86 2.366 10.058 1.359 1.00 0.44 H new ATOM 0 HA HIS B 86 4.119 11.870 2.796 1.00 0.59 H new ATOM 0 HB2 HIS B 86 4.967 9.785 1.828 1.00 0.69 H new ATOM 0 HB3 HIS B 86 4.413 10.257 0.234 1.00 0.69 H new ATOM 0 HD2 HIS B 86 6.129 11.928 -1.174 1.00 2.11 H new ATOM 0 HE1 HIS B 86 9.065 12.330 1.855 1.00 2.66 H new ATOM 0 HE2 HIS B 86 8.506 12.807 -0.580 1.00 2.68 H new ATOM 2897 N TYR B 87 2.878 12.632 -0.144 1.00 0.58 N ATOM 2898 CA TYR B 87 2.564 13.692 -1.097 1.00 0.65 C ATOM 2899 C TYR B 87 1.275 14.384 -0.670 1.00 0.62 C ATOM 2900 O TYR B 87 0.489 14.827 -1.508 1.00 0.66 O ATOM 2901 CB TYR B 87 2.459 13.146 -2.520 1.00 0.69 C ATOM 2902 CG TYR B 87 2.579 14.199 -3.602 1.00 0.87 C ATOM 2903 CD1 TYR B 87 3.751 14.927 -3.760 1.00 1.43 C ATOM 2904 CD2 TYR B 87 1.521 14.465 -4.464 1.00 1.63 C ATOM 2905 CE1 TYR B 87 3.867 15.889 -4.746 1.00 1.54 C ATOM 2906 CE2 TYR B 87 1.630 15.425 -5.453 1.00 1.80 C ATOM 2907 CZ TYR B 87 2.805 16.134 -5.589 1.00 1.29 C ATOM 2908 OH TYR B 87 2.918 17.092 -6.575 1.00 1.51 O ATOM 0 H TYR B 87 2.495 11.725 -0.409 1.00 0.58 H new ATOM 0 HA TYR B 87 3.374 14.421 -1.099 1.00 0.65 H new ATOM 0 HB2 TYR B 87 3.239 12.399 -2.668 1.00 0.69 H new ATOM 0 HB3 TYR B 87 1.503 12.635 -2.631 1.00 0.69 H new ATOM 0 HD1 TYR B 87 4.586 14.738 -3.101 1.00 1.43 H new ATOM 0 HD2 TYR B 87 0.599 13.913 -4.359 1.00 1.63 H new ATOM 0 HE1 TYR B 87 4.786 16.446 -4.855 1.00 1.54 H new ATOM 0 HE2 TYR B 87 0.799 15.619 -6.116 1.00 1.80 H new ATOM 0 HH TYR B 87 2.081 17.140 -7.082 1.00 1.51 H new ATOM 2918 N HIS B 88 1.018 14.315 0.641 1.00 0.59 N ATOM 2919 CA HIS B 88 -0.176 14.860 1.319 1.00 0.62 C ATOM 2920 C HIS B 88 -0.566 16.291 0.889 1.00 0.70 C ATOM 2921 O HIS B 88 -1.486 16.882 1.458 1.00 0.76 O ATOM 2922 CB HIS B 88 0.087 14.837 2.835 1.00 0.65 C ATOM 2923 CG HIS B 88 -1.120 15.071 3.698 1.00 1.54 C ATOM 2924 ND1 HIS B 88 -1.357 16.259 4.354 1.00 2.37 N ATOM 2925 CD2 HIS B 88 -2.146 14.252 4.031 1.00 2.40 C ATOM 2926 CE1 HIS B 88 -2.473 16.159 5.053 1.00 3.26 C ATOM 2927 NE2 HIS B 88 -2.971 14.952 4.874 1.00 3.27 N ATOM 0 H HIS B 88 1.660 13.860 1.290 1.00 0.59 H new ATOM 0 HA HIS B 88 -1.018 14.231 1.032 1.00 0.62 H new ATOM 0 HB2 HIS B 88 0.520 13.872 3.098 1.00 0.65 H new ATOM 0 HB3 HIS B 88 0.834 15.596 3.069 1.00 0.65 H new ATOM 0 HD2 HIS B 88 -2.288 13.236 3.695 1.00 2.40 H new ATOM 0 HE1 HIS B 88 -2.905 16.935 5.668 1.00 3.26 H new ATOM 0 HE2 HIS B 88 -3.830 14.596 5.294 1.00 3.27 H new ATOM 2936 N THR B 89 0.101 16.842 -0.108 1.00 0.73 N ATOM 2937 CA THR B 89 -0.303 18.112 -0.670 1.00 0.81 C ATOM 2938 C THR B 89 -1.665 17.946 -1.347 1.00 0.72 C ATOM 2939 O THR B 89 -2.570 18.755 -1.140 1.00 1.05 O ATOM 2940 CB THR B 89 0.746 18.645 -1.678 1.00 0.97 C ATOM 2941 OG1 THR B 89 0.264 19.834 -2.318 1.00 1.27 O ATOM 2942 CG2 THR B 89 1.092 17.600 -2.735 1.00 0.90 C ATOM 0 H THR B 89 0.925 16.428 -0.544 1.00 0.73 H new ATOM 0 HA THR B 89 -0.378 18.845 0.133 1.00 0.81 H new ATOM 0 HB THR B 89 1.651 18.875 -1.116 1.00 0.97 H new ATOM 0 HG1 THR B 89 -0.498 19.610 -2.892 1.00 1.27 H new ATOM 0 HG21 THR B 89 1.830 18.010 -3.424 1.00 0.90 H new ATOM 0 HG22 THR B 89 1.501 16.714 -2.250 1.00 0.90 H new ATOM 0 HG23 THR B 89 0.192 17.329 -3.287 1.00 0.90 H new ATOM 2950 N HIS B 90 -1.787 16.855 -2.117 1.00 0.66 N ATOM 2951 CA HIS B 90 -3.008 16.452 -2.812 1.00 0.65 C ATOM 2952 C HIS B 90 -2.638 15.539 -3.970 1.00 0.94 C ATOM 2953 O HIS B 90 -2.398 15.990 -5.087 1.00 1.78 O ATOM 2954 CB HIS B 90 -3.883 17.625 -3.323 1.00 0.91 C ATOM 2955 CG HIS B 90 -3.232 18.578 -4.295 1.00 1.72 C ATOM 2956 ND1 HIS B 90 -2.374 19.585 -3.910 1.00 2.44 N ATOM 2957 CD2 HIS B 90 -3.344 18.682 -5.642 1.00 2.68 C ATOM 2958 CE1 HIS B 90 -1.988 20.263 -4.974 1.00 3.32 C ATOM 2959 NE2 HIS B 90 -2.562 19.736 -6.036 1.00 3.47 N ATOM 0 H HIS B 90 -1.011 16.212 -2.275 1.00 0.66 H new ATOM 0 HA HIS B 90 -3.623 15.935 -2.075 1.00 0.65 H new ATOM 0 HB2 HIS B 90 -4.770 17.207 -3.798 1.00 0.91 H new ATOM 0 HB3 HIS B 90 -4.223 18.198 -2.460 1.00 0.91 H new ATOM 0 HD2 HIS B 90 -3.939 18.051 -6.285 1.00 2.68 H new ATOM 0 HE1 HIS B 90 -1.315 21.108 -4.974 1.00 3.32 H new ATOM 0 HE2 HIS B 90 -2.444 20.060 -6.996 1.00 3.47 H new ATOM 2968 N LYS B 91 -2.539 14.251 -3.689 1.00 0.91 N ATOM 2969 CA LYS B 91 -2.357 13.273 -4.755 1.00 1.63 C ATOM 2970 C LYS B 91 -3.475 13.429 -5.781 1.00 2.59 C ATOM 2971 O LYS B 91 -3.261 13.249 -6.978 1.00 3.47 O ATOM 2972 CB LYS B 91 -2.353 11.844 -4.212 1.00 1.10 C ATOM 2973 CG LYS B 91 -2.030 10.802 -5.277 1.00 1.28 C ATOM 2974 CD LYS B 91 -3.035 9.663 -5.277 1.00 0.87 C ATOM 2975 CE LYS B 91 -4.383 10.118 -5.809 1.00 0.78 C ATOM 2976 NZ LYS B 91 -4.339 10.405 -7.270 1.00 1.29 N ATOM 0 H LYS B 91 -2.580 13.859 -2.748 1.00 0.91 H new ATOM 0 HA LYS B 91 -1.390 13.456 -5.223 1.00 1.63 H new ATOM 0 HB2 LYS B 91 -1.623 11.770 -3.406 1.00 1.10 H new ATOM 0 HB3 LYS B 91 -3.329 11.623 -3.780 1.00 1.10 H new ATOM 0 HG2 LYS B 91 -2.019 11.277 -6.258 1.00 1.28 H new ATOM 0 HG3 LYS B 91 -1.030 10.404 -5.104 1.00 1.28 H new ATOM 0 HD2 LYS B 91 -2.658 8.843 -5.888 1.00 0.87 H new ATOM 0 HD3 LYS B 91 -3.152 9.278 -4.264 1.00 0.87 H new ATOM 0 HE2 LYS B 91 -5.129 9.347 -5.613 1.00 0.78 H new ATOM 0 HE3 LYS B 91 -4.701 11.013 -5.273 1.00 0.78 H new ATOM 0 HZ1 LYS B 91 -5.170 9.983 -7.732 1.00 1.29 H new ATOM 0 HZ2 LYS B 91 -4.343 11.434 -7.422 1.00 1.29 H new ATOM 0 HZ3 LYS B 91 -3.473 9.999 -7.678 1.00 1.29 H new ATOM 2990 N GLU B 92 -4.668 13.763 -5.278 1.00 2.69 N ATOM 2991 CA GLU B 92 -5.829 14.047 -6.116 1.00 3.81 C ATOM 2992 C GLU B 92 -6.245 12.810 -6.905 1.00 4.36 C ATOM 2993 O GLU B 92 -5.789 12.639 -8.052 1.00 4.92 O ATOM 2994 CB GLU B 92 -5.534 15.228 -7.047 1.00 4.66 C ATOM 2995 CG GLU B 92 -6.720 15.669 -7.883 1.00 5.74 C ATOM 2996 CD GLU B 92 -6.428 16.928 -8.666 1.00 6.58 C ATOM 2997 OE1 GLU B 92 -5.789 16.836 -9.733 1.00 7.00 O ATOM 2998 OE2 GLU B 92 -6.830 18.016 -8.212 1.00 7.08 O ATOM 2999 OXT GLU B 92 -7.004 11.992 -6.351 1.00 4.64 O ATOM 0 H GLU B 92 -4.852 13.843 -4.278 1.00 2.69 H new ATOM 0 HA GLU B 92 -6.665 14.322 -5.472 1.00 3.81 H new ATOM 0 HB2 GLU B 92 -5.191 16.072 -6.448 1.00 4.66 H new ATOM 0 HB3 GLU B 92 -4.715 14.956 -7.713 1.00 4.66 H new ATOM 0 HG2 GLU B 92 -6.994 14.870 -8.572 1.00 5.74 H new ATOM 0 HG3 GLU B 92 -7.578 15.838 -7.233 1.00 5.74 H new TER 3006 GLU B 92