USER MOD reduce.3.24.130724 H: found=0, std=0, add=1057, rem=0, adj=42 USER MOD reduce.3.24.130724 removed 1057 hydrogens (6 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 60 MET CE :methyl 178:sc= -1.56 (180deg=-1.58) USER MOD Set 1.2: A 95 HIS : no HD1:sc= 0.907 K(o=-0.66,f=-9.1!) USER MOD Set 2.1: A 85 ASN : amide:sc= -0.273 K(o=-1.8,f=-3.6) USER MOD Set 2.2: A 86 HIS :FLIP no HD1:sc= -1.5 F(o=-2.3,f=-1.8) USER MOD Set 3.1: A 48 TYR OH : rot -16:sc= 2.54 USER MOD Set 3.2: A 50 LYS NZ :NH3+ -168:sc= 1.02 (180deg=-0.00206) USER MOD Set 3.3: A 57 TYR OH : rot 180:sc= 0.624 USER MOD Set 4.1: A 34 HIS : no HD1:sc= -0.15 K(o=1.1,f=-11!) USER MOD Set 4.2: A 52 THR OG1 : rot -160:sc= 1.21 USER MOD Set 5.1: A 40 SER OG : rot 66:sc= 0.197 USER MOD Set 5.2: A 132 SER OG : rot -110:sc= -0.861! USER MOD Set 6.1: A 36 GLN : amide:sc= 1.03 K(o=2.2,f=-1.2!) USER MOD Set 6.2: A 38 GLN : amide:sc= 1.13 K(o=2.2,f=0.29) USER MOD Set 7.1: A 11 ASN : amide:sc= -0.731 K(o=0.52,f=-13!) USER MOD Set 7.2: A 105 LYS NZ :NH3+ 163:sc= 1.25 (180deg=0) USER MOD Set 8.1: A 8 TYR OH : rot -137:sc= 0.791 USER MOD Set 8.2: A 14 HIS :FLIP no HD1:sc= -0.25 F(o=-0.24,f=0.54) USER MOD Set 9.1: A 5 LYS NZ :NH3+ 163:sc= 2.87 (180deg=0.815) USER MOD Set 9.2: A 131 SER OG : rot -126:sc= 1.13 USER MOD Single : A 1 TYR N :NH3+ -142:sc= 1.12 (180deg=-0.0262) USER MOD Single : A 1 TYR OH : rot 180:sc= 0 USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.000931) USER MOD Single : A 9 CYS SG : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 180:sc= -0.0159 USER MOD Single : A 23 THR OG1 : rot 180:sc= -0.0137 USER MOD Single : A 27 THR OG1 : rot 11:sc= 0.814 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 33 GLN : amide:sc= -1.98 K(o=-2,f=-6.4!) USER MOD Single : A 43 SER OG : rot 88:sc= 1.43 USER MOD Single : A 51 SER OG : rot 180:sc= -0.15 USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 GLN : amide:sc= -1.65! C(o=-1.7!,f=-6.2!) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot -55:sc= 0.609 USER MOD Single : A 70 GLN : amide:sc= -1.24 K(o=-1.2,f=-6.1!) USER MOD Single : A 71 THR OG1 : rot 180:sc= -0.131 USER MOD Single : A 73 ASN : amide:sc= -1.86! C(o=-1.9!,f=-6.1!) USER MOD Single : A 76 CYS SG : rot 77:sc= 0.495 USER MOD Single : A 87 TYR OH : rot -120:sc= 1.13 USER MOD Single : A 88 ASN :FLIP amide:sc= -0.0424 F(o=-2.5!,f=-0.042) USER MOD Single : A 89 THR OG1 : rot -160:sc= -1.09 USER MOD Single : A 90 TYR OH : rot 12:sc= 0.0733 USER MOD Single : A 92 SER OG : rot -140:sc= 0.794 USER MOD Single : A 93 LYS NZ :NH3+ -177:sc= 1.04 (180deg=0.888) USER MOD Single : A 94 LYS NZ :NH3+ 166:sc= 2.09 (180deg=1.76) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 ASN : amide:sc= -0.403 K(o=-0.4,f=-4.8!) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 ASN : amide:sc= -0.226 X(o=-0.23,f=-0.28) USER MOD Single : A 109 SER OG : rot -7:sc= 1.17 USER MOD Single : A 110 CYS SG : rot 160:sc= 0 USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 116 THR OG1 : rot 150:sc= -1.07 USER MOD Single : A 117 HIS : no HE2:sc= 0.191 K(o=0.19,f=-4.7!) USER MOD Single : A 118 TYR OH : rot 180:sc= 0 USER MOD Single : A 120 GLN : amide:sc= -0.59 X(o=-0.59,f=-1) USER MOD Single : A 121 LYS NZ :NH3+ 155:sc= 2.72 (180deg=1.79) USER MOD ----------------------------------------------------------------- ATOM 1 N TYR A 1 15.794 -1.426 -9.566 1.00 0.54 N ATOM 2 CA TYR A 1 14.447 -1.717 -9.009 1.00 0.51 C ATOM 3 C TYR A 1 14.266 -1.089 -7.625 1.00 0.43 C ATOM 4 O TYR A 1 13.288 -0.383 -7.382 1.00 0.59 O ATOM 5 CB TYR A 1 14.205 -3.235 -8.939 1.00 0.57 C ATOM 6 CG TYR A 1 15.227 -3.992 -8.114 1.00 0.55 C ATOM 7 CD1 TYR A 1 16.482 -4.285 -8.630 1.00 0.77 C ATOM 8 CD2 TYR A 1 14.940 -4.409 -6.819 1.00 0.53 C ATOM 9 CE1 TYR A 1 17.420 -4.972 -7.886 1.00 0.93 C ATOM 10 CE2 TYR A 1 15.874 -5.097 -6.067 1.00 0.65 C ATOM 11 CZ TYR A 1 17.112 -5.377 -6.606 1.00 0.85 C ATOM 12 OH TYR A 1 18.051 -6.061 -5.863 1.00 1.08 O ATOM 0 H1 TYR A 1 15.717 -1.255 -10.589 1.00 0.54 H new ATOM 0 H2 TYR A 1 16.186 -0.582 -9.103 1.00 0.54 H new ATOM 0 H3 TYR A 1 16.422 -2.237 -9.397 1.00 0.54 H new ATOM 0 HA TYR A 1 13.711 -1.273 -9.680 1.00 0.51 H new ATOM 0 HB2 TYR A 1 13.214 -3.414 -8.522 1.00 0.57 H new ATOM 0 HB3 TYR A 1 14.202 -3.638 -9.952 1.00 0.57 H new ATOM 0 HD1 TYR A 1 16.729 -3.969 -9.633 1.00 0.77 H new ATOM 0 HD2 TYR A 1 13.971 -4.192 -6.394 1.00 0.53 H new ATOM 0 HE1 TYR A 1 18.391 -5.191 -8.306 1.00 0.93 H new ATOM 0 HE2 TYR A 1 15.635 -5.414 -5.062 1.00 0.65 H new ATOM 0 HH TYR A 1 17.679 -6.274 -4.982 1.00 1.08 H new ATOM 24 N LYS A 2 15.216 -1.334 -6.719 1.00 0.35 N ATOM 25 CA LYS A 2 15.139 -0.799 -5.363 1.00 0.39 C ATOM 26 C LYS A 2 15.439 0.702 -5.346 1.00 0.34 C ATOM 27 O LYS A 2 16.598 1.122 -5.251 1.00 0.48 O ATOM 28 CB LYS A 2 16.096 -1.558 -4.427 1.00 0.54 C ATOM 29 CG LYS A 2 17.562 -1.466 -4.825 1.00 0.73 C ATOM 30 CD LYS A 2 18.412 -2.496 -4.098 1.00 1.05 C ATOM 31 CE LYS A 2 19.711 -1.890 -3.591 1.00 1.15 C ATOM 32 NZ LYS A 2 19.522 -1.130 -2.323 1.00 1.40 N ATOM 0 H LYS A 2 16.045 -1.899 -6.902 1.00 0.35 H new ATOM 0 HA LYS A 2 14.121 -0.940 -5.001 1.00 0.39 H new ATOM 0 HB2 LYS A 2 15.981 -1.169 -3.415 1.00 0.54 H new ATOM 0 HB3 LYS A 2 15.804 -2.608 -4.400 1.00 0.54 H new ATOM 0 HG2 LYS A 2 17.656 -1.612 -5.901 1.00 0.73 H new ATOM 0 HG3 LYS A 2 17.936 -0.466 -4.605 1.00 0.73 H new ATOM 0 HD2 LYS A 2 17.850 -2.907 -3.260 1.00 1.05 H new ATOM 0 HD3 LYS A 2 18.634 -3.325 -4.770 1.00 1.05 H new ATOM 0 HE2 LYS A 2 20.442 -2.683 -3.432 1.00 1.15 H new ATOM 0 HE3 LYS A 2 20.122 -1.227 -4.352 1.00 1.15 H new ATOM 0 HZ1 LYS A 2 20.434 -0.735 -2.016 1.00 1.40 H new ATOM 0 HZ2 LYS A 2 18.845 -0.356 -2.480 1.00 1.40 H new ATOM 0 HZ3 LYS A 2 19.155 -1.767 -1.588 1.00 1.40 H new ATOM 46 N LYS A 3 14.388 1.505 -5.462 1.00 0.28 N ATOM 47 CA LYS A 3 14.524 2.956 -5.459 1.00 0.26 C ATOM 48 C LYS A 3 13.380 3.600 -4.677 1.00 0.26 C ATOM 49 O LYS A 3 12.363 2.956 -4.421 1.00 0.29 O ATOM 50 CB LYS A 3 14.554 3.495 -6.891 1.00 0.30 C ATOM 51 CG LYS A 3 15.859 3.209 -7.615 1.00 0.49 C ATOM 52 CD LYS A 3 15.971 4.010 -8.903 1.00 0.55 C ATOM 53 CE LYS A 3 17.315 3.792 -9.586 1.00 0.78 C ATOM 54 NZ LYS A 3 17.436 2.428 -10.167 1.00 1.18 N ATOM 0 H LYS A 3 13.428 1.174 -5.560 1.00 0.28 H new ATOM 0 HA LYS A 3 15.465 3.210 -4.971 1.00 0.26 H new ATOM 0 HB2 LYS A 3 13.731 3.056 -7.454 1.00 0.30 H new ATOM 0 HB3 LYS A 3 14.387 4.572 -6.870 1.00 0.30 H new ATOM 0 HG2 LYS A 3 16.698 3.449 -6.962 1.00 0.49 H new ATOM 0 HG3 LYS A 3 15.925 2.145 -7.841 1.00 0.49 H new ATOM 0 HD2 LYS A 3 15.167 3.723 -9.581 1.00 0.55 H new ATOM 0 HD3 LYS A 3 15.841 5.070 -8.685 1.00 0.55 H new ATOM 0 HE2 LYS A 3 17.444 4.534 -10.374 1.00 0.78 H new ATOM 0 HE3 LYS A 3 18.117 3.950 -8.865 1.00 0.78 H new ATOM 0 HZ1 LYS A 3 18.359 2.331 -10.636 1.00 1.18 H new ATOM 0 HZ2 LYS A 3 17.356 1.720 -9.410 1.00 1.18 H new ATOM 0 HZ3 LYS A 3 16.677 2.278 -10.862 1.00 1.18 H new ATOM 68 N PRO A 4 13.542 4.876 -4.283 1.00 0.28 N ATOM 69 CA PRO A 4 12.524 5.615 -3.520 1.00 0.30 C ATOM 70 C PRO A 4 11.155 5.598 -4.202 1.00 0.27 C ATOM 71 O PRO A 4 10.968 6.210 -5.253 1.00 0.35 O ATOM 72 CB PRO A 4 13.080 7.041 -3.466 1.00 0.35 C ATOM 73 CG PRO A 4 14.551 6.883 -3.641 1.00 0.43 C ATOM 74 CD PRO A 4 14.732 5.704 -4.553 1.00 0.37 C ATOM 0 HA PRO A 4 12.355 5.174 -2.538 1.00 0.30 H new ATOM 0 HB2 PRO A 4 12.653 7.662 -4.253 1.00 0.35 H new ATOM 0 HB3 PRO A 4 12.844 7.522 -2.517 1.00 0.35 H new ATOM 0 HG2 PRO A 4 14.992 7.782 -4.072 1.00 0.43 H new ATOM 0 HG3 PRO A 4 15.043 6.715 -2.683 1.00 0.43 H new ATOM 0 HD2 PRO A 4 14.781 6.009 -5.598 1.00 0.37 H new ATOM 0 HD3 PRO A 4 15.654 5.165 -4.335 1.00 0.37 H new ATOM 82 N LYS A 5 10.212 4.886 -3.598 1.00 0.24 N ATOM 83 CA LYS A 5 8.864 4.778 -4.128 1.00 0.22 C ATOM 84 C LYS A 5 7.854 5.337 -3.127 1.00 0.25 C ATOM 85 O LYS A 5 8.099 5.334 -1.919 1.00 0.48 O ATOM 86 CB LYS A 5 8.549 3.308 -4.440 1.00 0.24 C ATOM 87 CG LYS A 5 7.201 3.078 -5.108 1.00 0.24 C ATOM 88 CD LYS A 5 7.078 1.650 -5.624 1.00 0.34 C ATOM 89 CE LYS A 5 5.695 1.366 -6.193 1.00 0.35 C ATOM 90 NZ LYS A 5 5.759 0.719 -7.534 1.00 0.40 N ATOM 0 H LYS A 5 10.362 4.370 -2.731 1.00 0.24 H new ATOM 0 HA LYS A 5 8.794 5.360 -5.047 1.00 0.22 H new ATOM 0 HB2 LYS A 5 9.332 2.911 -5.086 1.00 0.24 H new ATOM 0 HB3 LYS A 5 8.582 2.738 -3.512 1.00 0.24 H new ATOM 0 HG2 LYS A 5 6.400 3.281 -4.397 1.00 0.24 H new ATOM 0 HG3 LYS A 5 7.078 3.778 -5.934 1.00 0.24 H new ATOM 0 HD2 LYS A 5 7.829 1.477 -6.394 1.00 0.34 H new ATOM 0 HD3 LYS A 5 7.287 0.952 -4.813 1.00 0.34 H new ATOM 0 HE2 LYS A 5 5.147 0.721 -5.506 1.00 0.35 H new ATOM 0 HE3 LYS A 5 5.136 2.299 -6.268 1.00 0.35 H new ATOM 0 HZ1 LYS A 5 4.839 0.288 -7.756 1.00 0.40 H new ATOM 0 HZ2 LYS A 5 5.989 1.434 -8.254 1.00 0.40 H new ATOM 0 HZ3 LYS A 5 6.494 -0.017 -7.530 1.00 0.40 H new ATOM 104 N LEU A 6 6.728 5.831 -3.631 1.00 0.22 N ATOM 105 CA LEU A 6 5.679 6.377 -2.780 1.00 0.23 C ATOM 106 C LEU A 6 4.329 5.797 -3.181 1.00 0.22 C ATOM 107 O LEU A 6 4.110 5.469 -4.350 1.00 0.25 O ATOM 108 CB LEU A 6 5.644 7.913 -2.853 1.00 0.27 C ATOM 109 CG LEU A 6 5.056 8.513 -4.138 1.00 0.32 C ATOM 110 CD1 LEU A 6 4.599 9.944 -3.898 1.00 0.45 C ATOM 111 CD2 LEU A 6 6.073 8.463 -5.270 1.00 0.50 C ATOM 0 H LEU A 6 6.519 5.864 -4.629 1.00 0.22 H new ATOM 0 HA LEU A 6 5.897 6.097 -1.749 1.00 0.23 H new ATOM 0 HB2 LEU A 6 5.067 8.284 -2.006 1.00 0.27 H new ATOM 0 HB3 LEU A 6 6.661 8.286 -2.734 1.00 0.27 H new ATOM 0 HG LEU A 6 4.191 7.917 -4.428 1.00 0.32 H new ATOM 0 HD11 LEU A 6 4.185 10.353 -4.820 1.00 0.45 H new ATOM 0 HD12 LEU A 6 3.835 9.956 -3.120 1.00 0.45 H new ATOM 0 HD13 LEU A 6 5.449 10.549 -3.582 1.00 0.45 H new ATOM 0 HD21 LEU A 6 5.636 8.893 -6.171 1.00 0.50 H new ATOM 0 HD22 LEU A 6 6.959 9.033 -4.989 1.00 0.50 H new ATOM 0 HD23 LEU A 6 6.354 7.427 -5.462 1.00 0.50 H new ATOM 123 N LEU A 7 3.434 5.666 -2.211 1.00 0.24 N ATOM 124 CA LEU A 7 2.104 5.126 -2.456 1.00 0.26 C ATOM 125 C LEU A 7 1.070 6.247 -2.441 1.00 0.22 C ATOM 126 O LEU A 7 0.437 6.509 -1.417 1.00 0.24 O ATOM 127 CB LEU A 7 1.759 4.062 -1.407 1.00 0.32 C ATOM 128 CG LEU A 7 0.355 3.455 -1.529 1.00 0.36 C ATOM 129 CD1 LEU A 7 0.230 2.633 -2.806 1.00 0.44 C ATOM 130 CD2 LEU A 7 0.033 2.605 -0.308 1.00 0.46 C ATOM 0 H LEU A 7 3.607 5.928 -1.241 1.00 0.24 H new ATOM 0 HA LEU A 7 2.092 4.656 -3.439 1.00 0.26 H new ATOM 0 HB2 LEU A 7 2.492 3.258 -1.474 1.00 0.32 H new ATOM 0 HB3 LEU A 7 1.861 4.505 -0.416 1.00 0.32 H new ATOM 0 HG LEU A 7 -0.367 4.270 -1.580 1.00 0.36 H new ATOM 0 HD11 LEU A 7 -0.773 2.212 -2.871 1.00 0.44 H new ATOM 0 HD12 LEU A 7 0.412 3.273 -3.670 1.00 0.44 H new ATOM 0 HD13 LEU A 7 0.962 1.825 -2.792 1.00 0.44 H new ATOM 0 HD21 LEU A 7 -0.966 2.183 -0.412 1.00 0.46 H new ATOM 0 HD22 LEU A 7 0.761 1.798 -0.224 1.00 0.46 H new ATOM 0 HD23 LEU A 7 0.074 3.225 0.588 1.00 0.46 H new ATOM 142 N TYR A 8 0.908 6.911 -3.577 1.00 0.22 N ATOM 143 CA TYR A 8 -0.039 8.009 -3.685 1.00 0.21 C ATOM 144 C TYR A 8 -1.437 7.490 -4.011 1.00 0.21 C ATOM 145 O TYR A 8 -1.635 6.772 -4.996 1.00 0.29 O ATOM 146 CB TYR A 8 0.417 9.008 -4.752 1.00 0.24 C ATOM 147 CG TYR A 8 -0.034 10.425 -4.477 1.00 0.28 C ATOM 148 CD1 TYR A 8 0.744 11.286 -3.714 1.00 0.46 C ATOM 149 CD2 TYR A 8 -1.241 10.897 -4.973 1.00 0.37 C ATOM 150 CE1 TYR A 8 0.331 12.578 -3.453 1.00 0.56 C ATOM 151 CE2 TYR A 8 -1.662 12.187 -4.715 1.00 0.46 C ATOM 152 CZ TYR A 8 -0.873 13.023 -3.955 1.00 0.50 C ATOM 153 OH TYR A 8 -1.295 14.307 -3.687 1.00 0.63 O ATOM 0 H TYR A 8 1.420 6.708 -4.435 1.00 0.22 H new ATOM 0 HA TYR A 8 -0.077 8.519 -2.722 1.00 0.21 H new ATOM 0 HB2 TYR A 8 1.505 8.987 -4.818 1.00 0.24 H new ATOM 0 HB3 TYR A 8 0.032 8.694 -5.722 1.00 0.24 H new ATOM 0 HD1 TYR A 8 1.687 10.940 -3.318 1.00 0.46 H new ATOM 0 HD2 TYR A 8 -1.861 10.245 -5.570 1.00 0.37 H new ATOM 0 HE1 TYR A 8 0.948 13.236 -2.859 1.00 0.56 H new ATOM 0 HE2 TYR A 8 -2.605 12.539 -5.107 1.00 0.46 H new ATOM 0 HH TYR A 8 -2.250 14.298 -3.467 1.00 0.63 H new ATOM 163 N CYS A 9 -2.398 7.847 -3.173 1.00 0.23 N ATOM 164 CA CYS A 9 -3.781 7.432 -3.360 1.00 0.27 C ATOM 165 C CYS A 9 -4.616 8.616 -3.839 1.00 0.28 C ATOM 166 O CYS A 9 -4.538 9.708 -3.274 1.00 0.30 O ATOM 167 CB CYS A 9 -4.346 6.879 -2.047 1.00 0.30 C ATOM 168 SG CYS A 9 -3.345 5.569 -1.298 1.00 0.37 S ATOM 0 H CYS A 9 -2.244 8.429 -2.349 1.00 0.23 H new ATOM 0 HA CYS A 9 -3.819 6.646 -4.114 1.00 0.27 H new ATOM 0 HB2 CYS A 9 -4.444 7.698 -1.334 1.00 0.30 H new ATOM 0 HB3 CYS A 9 -5.349 6.494 -2.230 1.00 0.30 H new ATOM 0 HG CYS A 9 -3.906 5.172 -0.194 1.00 0.37 H new ATOM 174 N SER A 10 -5.391 8.408 -4.893 1.00 0.37 N ATOM 175 CA SER A 10 -6.227 9.466 -5.437 1.00 0.42 C ATOM 176 C SER A 10 -7.481 9.651 -4.580 1.00 0.39 C ATOM 177 O SER A 10 -8.543 9.103 -4.881 1.00 0.51 O ATOM 178 CB SER A 10 -6.597 9.143 -6.887 1.00 0.56 C ATOM 179 OG SER A 10 -5.448 8.752 -7.628 1.00 1.23 O ATOM 0 H SER A 10 -5.458 7.518 -5.387 1.00 0.37 H new ATOM 0 HA SER A 10 -5.670 10.403 -5.422 1.00 0.42 H new ATOM 0 HB2 SER A 10 -7.338 8.344 -6.908 1.00 0.56 H new ATOM 0 HB3 SER A 10 -7.056 10.015 -7.353 1.00 0.56 H new ATOM 0 HG SER A 10 -5.708 8.549 -8.551 1.00 1.23 H new ATOM 185 N ASN A 11 -7.342 10.406 -3.491 1.00 0.33 N ATOM 186 CA ASN A 11 -8.466 10.655 -2.595 1.00 0.36 C ATOM 187 C ASN A 11 -8.454 12.093 -2.075 1.00 0.35 C ATOM 188 O ASN A 11 -8.654 12.335 -0.884 1.00 0.47 O ATOM 189 CB ASN A 11 -8.455 9.656 -1.428 1.00 0.44 C ATOM 190 CG ASN A 11 -9.824 9.494 -0.777 1.00 0.55 C ATOM 191 OD1 ASN A 11 -9.942 9.437 0.453 1.00 0.63 O ATOM 192 ND2 ASN A 11 -10.869 9.385 -1.594 1.00 0.75 N ATOM 0 H ASN A 11 -6.469 10.852 -3.211 1.00 0.33 H new ATOM 0 HA ASN A 11 -9.386 10.515 -3.163 1.00 0.36 H new ATOM 0 HB2 ASN A 11 -8.112 8.686 -1.789 1.00 0.44 H new ATOM 0 HB3 ASN A 11 -7.738 9.989 -0.678 1.00 0.44 H new ATOM 0 HD21 ASN A 11 -11.804 9.250 -1.210 1.00 0.75 H new ATOM 0 HD22 ASN A 11 -10.734 9.437 -2.604 1.00 0.75 H new ATOM 199 N GLY A 12 -8.213 13.040 -2.978 1.00 0.38 N ATOM 200 CA GLY A 12 -8.199 14.448 -2.613 1.00 0.45 C ATOM 201 C GLY A 12 -7.201 14.779 -1.517 1.00 0.46 C ATOM 202 O GLY A 12 -7.591 15.104 -0.391 1.00 0.87 O ATOM 0 H GLY A 12 -8.026 12.856 -3.964 1.00 0.38 H new ATOM 0 HA2 GLY A 12 -7.967 15.042 -3.497 1.00 0.45 H new ATOM 0 HA3 GLY A 12 -9.197 14.740 -2.286 1.00 0.45 H new ATOM 206 N GLY A 13 -5.916 14.704 -1.846 1.00 0.38 N ATOM 207 CA GLY A 13 -4.879 15.010 -0.879 1.00 0.36 C ATOM 208 C GLY A 13 -3.556 14.359 -1.227 1.00 0.31 C ATOM 209 O GLY A 13 -3.355 13.922 -2.361 1.00 0.40 O ATOM 0 H GLY A 13 -5.574 14.436 -2.769 1.00 0.38 H new ATOM 0 HA2 GLY A 13 -4.746 16.090 -0.823 1.00 0.36 H new ATOM 0 HA3 GLY A 13 -5.197 14.676 0.109 1.00 0.36 H new ATOM 213 N HIS A 14 -2.654 14.302 -0.255 1.00 0.26 N ATOM 214 CA HIS A 14 -1.339 13.690 -0.443 1.00 0.24 C ATOM 215 C HIS A 14 -1.173 12.550 0.553 1.00 0.22 C ATOM 216 O HIS A 14 -1.523 12.699 1.724 1.00 0.30 O ATOM 217 CB HIS A 14 -0.221 14.725 -0.254 1.00 0.28 C ATOM 218 CG HIS A 14 -0.136 15.737 -1.356 1.00 0.38 C ATOM 219 ND1 HIS A 14 0.756 15.876 -2.367 1.00 0.60 N flip ATOM 220 CD2 HIS A 14 -1.034 16.769 -1.499 1.00 0.53 C flip ATOM 221 CE1 HIS A 14 0.382 16.979 -3.089 1.00 0.72 C flip ATOM 222 NE2 HIS A 14 -0.700 17.499 -2.547 1.00 0.66 N flip ATOM 0 H HIS A 14 -2.809 14.675 0.681 1.00 0.26 H new ATOM 0 HA HIS A 14 -1.270 13.304 -1.460 1.00 0.24 H new ATOM 0 HB2 HIS A 14 -0.377 15.245 0.692 1.00 0.28 H new ATOM 0 HB3 HIS A 14 0.734 14.204 -0.178 1.00 0.28 H new ATOM 0 HD2 HIS A 14 -1.881 16.953 -0.854 1.00 0.53 H new ATOM 0 HE1 HIS A 14 0.892 17.360 -3.961 1.00 0.72 H new ATOM 0 HE2 HIS A 14 -1.196 18.326 -2.880 1.00 0.66 H new ATOM 231 N PHE A 15 -0.643 11.420 0.099 1.00 0.20 N ATOM 232 CA PHE A 15 -0.466 10.260 0.968 1.00 0.21 C ATOM 233 C PHE A 15 0.920 9.654 0.800 1.00 0.21 C ATOM 234 O PHE A 15 1.329 9.332 -0.317 1.00 0.23 O ATOM 235 CB PHE A 15 -1.531 9.199 0.663 1.00 0.27 C ATOM 236 CG PHE A 15 -2.934 9.740 0.615 1.00 0.29 C ATOM 237 CD1 PHE A 15 -3.389 10.410 -0.510 1.00 0.31 C ATOM 238 CD2 PHE A 15 -3.794 9.583 1.690 1.00 0.43 C ATOM 239 CE1 PHE A 15 -4.675 10.911 -0.563 1.00 0.37 C ATOM 240 CE2 PHE A 15 -5.082 10.082 1.640 1.00 0.50 C ATOM 241 CZ PHE A 15 -5.522 10.748 0.513 1.00 0.45 C ATOM 0 H PHE A 15 -0.329 11.281 -0.862 1.00 0.20 H new ATOM 0 HA PHE A 15 -0.574 10.597 1.999 1.00 0.21 H new ATOM 0 HB2 PHE A 15 -1.300 8.731 -0.294 1.00 0.27 H new ATOM 0 HB3 PHE A 15 -1.479 8.418 1.421 1.00 0.27 H new ATOM 0 HD1 PHE A 15 -2.730 10.542 -1.355 1.00 0.31 H new ATOM 0 HD2 PHE A 15 -3.455 9.066 2.575 1.00 0.43 H new ATOM 0 HE1 PHE A 15 -5.017 11.430 -1.446 1.00 0.37 H new ATOM 0 HE2 PHE A 15 -5.745 9.951 2.483 1.00 0.50 H new ATOM 0 HZ PHE A 15 -6.527 11.140 0.474 1.00 0.45 H new ATOM 251 N LEU A 16 1.638 9.523 1.913 1.00 0.20 N ATOM 252 CA LEU A 16 2.979 8.938 1.907 1.00 0.22 C ATOM 253 C LEU A 16 3.622 9.003 3.298 1.00 0.23 C ATOM 254 O LEU A 16 4.776 9.404 3.444 1.00 0.33 O ATOM 255 CB LEU A 16 3.880 9.617 0.858 1.00 0.23 C ATOM 256 CG LEU A 16 3.758 11.141 0.748 1.00 0.24 C ATOM 257 CD1 LEU A 16 4.336 11.826 1.976 1.00 0.46 C ATOM 258 CD2 LEU A 16 4.451 11.636 -0.515 1.00 0.45 C ATOM 0 H LEU A 16 1.313 9.815 2.835 1.00 0.20 H new ATOM 0 HA LEU A 16 2.875 7.888 1.633 1.00 0.22 H new ATOM 0 HB2 LEU A 16 4.917 9.372 1.086 1.00 0.23 H new ATOM 0 HB3 LEU A 16 3.657 9.184 -0.117 1.00 0.23 H new ATOM 0 HG LEU A 16 2.699 11.394 0.690 1.00 0.24 H new ATOM 0 HD11 LEU A 16 4.236 12.906 1.871 1.00 0.46 H new ATOM 0 HD12 LEU A 16 3.797 11.496 2.864 1.00 0.46 H new ATOM 0 HD13 LEU A 16 5.390 11.567 2.075 1.00 0.46 H new ATOM 0 HD21 LEU A 16 4.357 12.720 -0.581 1.00 0.45 H new ATOM 0 HD22 LEU A 16 5.506 11.365 -0.481 1.00 0.45 H new ATOM 0 HD23 LEU A 16 3.987 11.178 -1.388 1.00 0.45 H new ATOM 270 N ARG A 17 2.877 8.597 4.324 1.00 0.24 N ATOM 271 CA ARG A 17 3.398 8.600 5.687 1.00 0.26 C ATOM 272 C ARG A 17 2.903 7.382 6.457 1.00 0.22 C ATOM 273 O ARG A 17 1.778 6.920 6.255 1.00 0.29 O ATOM 274 CB ARG A 17 3.011 9.885 6.422 1.00 0.34 C ATOM 275 CG ARG A 17 3.552 9.948 7.844 1.00 0.47 C ATOM 276 CD ARG A 17 3.424 11.339 8.447 1.00 0.53 C ATOM 277 NE ARG A 17 2.035 11.707 8.709 1.00 0.54 N ATOM 278 CZ ARG A 17 1.664 12.829 9.325 1.00 0.72 C ATOM 279 NH1 ARG A 17 2.582 13.675 9.799 1.00 0.85 N ATOM 280 NH2 ARG A 17 0.370 13.104 9.466 1.00 0.86 N ATOM 0 H ARG A 17 1.917 8.264 4.238 1.00 0.24 H new ATOM 0 HA ARG A 17 4.485 8.555 5.627 1.00 0.26 H new ATOM 0 HB2 ARG A 17 3.382 10.743 5.861 1.00 0.34 H new ATOM 0 HB3 ARG A 17 1.924 9.967 6.449 1.00 0.34 H new ATOM 0 HG2 ARG A 17 3.015 9.233 8.467 1.00 0.47 H new ATOM 0 HG3 ARG A 17 4.600 9.648 7.846 1.00 0.47 H new ATOM 0 HD2 ARG A 17 3.990 11.382 9.377 1.00 0.53 H new ATOM 0 HD3 ARG A 17 3.868 12.068 7.769 1.00 0.53 H new ATOM 0 HE ARG A 17 1.304 11.066 8.402 1.00 0.54 H new ATOM 0 HH11 ARG A 17 3.574 13.464 9.691 1.00 0.85 H new ATOM 0 HH12 ARG A 17 2.291 14.532 10.269 1.00 0.85 H new ATOM 0 HH21 ARG A 17 -0.331 12.458 9.104 1.00 0.86 H new ATOM 0 HH22 ARG A 17 0.079 13.961 9.936 1.00 0.86 H new ATOM 294 N ILE A 18 3.760 6.866 7.329 1.00 0.21 N ATOM 295 CA ILE A 18 3.441 5.705 8.142 1.00 0.20 C ATOM 296 C ILE A 18 4.027 5.880 9.539 1.00 0.20 C ATOM 297 O ILE A 18 5.191 6.261 9.683 1.00 0.26 O ATOM 298 CB ILE A 18 3.990 4.405 7.505 1.00 0.26 C ATOM 299 CG1 ILE A 18 3.550 3.174 8.304 1.00 0.29 C ATOM 300 CG2 ILE A 18 5.509 4.455 7.400 1.00 0.33 C ATOM 301 CD1 ILE A 18 2.161 2.688 7.955 1.00 0.33 C ATOM 0 H ILE A 18 4.694 7.242 7.491 1.00 0.21 H new ATOM 0 HA ILE A 18 2.356 5.621 8.204 1.00 0.20 H new ATOM 0 HB ILE A 18 3.577 4.325 6.500 1.00 0.26 H new ATOM 0 HG12 ILE A 18 4.262 2.367 8.132 1.00 0.29 H new ATOM 0 HG13 ILE A 18 3.586 3.410 9.368 1.00 0.29 H new ATOM 0 HG21 ILE A 18 5.873 3.532 6.950 1.00 0.33 H new ATOM 0 HG22 ILE A 18 5.803 5.302 6.780 1.00 0.33 H new ATOM 0 HG23 ILE A 18 5.939 4.568 8.395 1.00 0.33 H new ATOM 0 HD11 ILE A 18 1.918 1.814 8.560 1.00 0.33 H new ATOM 0 HD12 ILE A 18 1.438 3.479 8.154 1.00 0.33 H new ATOM 0 HD13 ILE A 18 2.124 2.420 6.899 1.00 0.33 H new ATOM 313 N LEU A 19 3.218 5.623 10.555 1.00 0.21 N ATOM 314 CA LEU A 19 3.659 5.752 11.937 1.00 0.24 C ATOM 315 C LEU A 19 4.075 4.390 12.488 1.00 0.23 C ATOM 316 O LEU A 19 3.317 3.418 12.384 1.00 0.22 O ATOM 317 CB LEU A 19 2.550 6.354 12.812 1.00 0.30 C ATOM 318 CG LEU A 19 2.185 7.814 12.517 1.00 0.40 C ATOM 319 CD1 LEU A 19 3.431 8.680 12.465 1.00 0.54 C ATOM 320 CD2 LEU A 19 1.401 7.926 11.219 1.00 0.48 C ATOM 0 H LEU A 19 2.249 5.323 10.449 1.00 0.21 H new ATOM 0 HA LEU A 19 4.518 6.423 11.958 1.00 0.24 H new ATOM 0 HB2 LEU A 19 1.653 5.745 12.699 1.00 0.30 H new ATOM 0 HB3 LEU A 19 2.856 6.280 13.856 1.00 0.30 H new ATOM 0 HG LEU A 19 1.552 8.173 13.328 1.00 0.40 H new ATOM 0 HD11 LEU A 19 3.149 9.712 12.254 1.00 0.54 H new ATOM 0 HD12 LEU A 19 3.947 8.633 13.424 1.00 0.54 H new ATOM 0 HD13 LEU A 19 4.093 8.318 11.679 1.00 0.54 H new ATOM 0 HD21 LEU A 19 1.154 8.971 11.032 1.00 0.48 H new ATOM 0 HD22 LEU A 19 2.004 7.543 10.396 1.00 0.48 H new ATOM 0 HD23 LEU A 19 0.482 7.345 11.297 1.00 0.48 H new ATOM 332 N PRO A 20 5.275 4.310 13.095 1.00 0.29 N ATOM 333 CA PRO A 20 5.819 3.069 13.665 1.00 0.33 C ATOM 334 C PRO A 20 4.782 2.303 14.480 1.00 0.30 C ATOM 335 O PRO A 20 4.759 1.069 14.480 1.00 0.36 O ATOM 336 CB PRO A 20 6.968 3.549 14.568 1.00 0.41 C ATOM 337 CG PRO A 20 6.891 5.043 14.571 1.00 0.55 C ATOM 338 CD PRO A 20 6.201 5.429 13.299 1.00 0.38 C ATOM 0 HA PRO A 20 6.140 2.376 12.887 1.00 0.33 H new ATOM 0 HB2 PRO A 20 6.864 3.151 15.577 1.00 0.41 H new ATOM 0 HB3 PRO A 20 7.931 3.208 14.189 1.00 0.41 H new ATOM 0 HG2 PRO A 20 6.337 5.402 15.439 1.00 0.55 H new ATOM 0 HG3 PRO A 20 7.886 5.484 14.623 1.00 0.55 H new ATOM 0 HD2 PRO A 20 5.676 6.380 13.393 1.00 0.38 H new ATOM 0 HD3 PRO A 20 6.902 5.533 12.471 1.00 0.38 H new ATOM 346 N ASP A 21 3.923 3.050 15.165 1.00 0.27 N ATOM 347 CA ASP A 21 2.861 2.471 15.983 1.00 0.30 C ATOM 348 C ASP A 21 2.026 1.479 15.178 1.00 0.29 C ATOM 349 O ASP A 21 1.409 0.577 15.747 1.00 0.41 O ATOM 350 CB ASP A 21 1.948 3.573 16.531 1.00 0.36 C ATOM 351 CG ASP A 21 2.697 4.594 17.358 1.00 0.64 C ATOM 352 OD1 ASP A 21 3.398 5.444 16.767 1.00 0.95 O ATOM 353 OD2 ASP A 21 2.590 4.561 18.601 1.00 0.96 O ATOM 0 H ASP A 21 3.942 4.070 15.170 1.00 0.27 H new ATOM 0 HA ASP A 21 3.333 1.943 16.811 1.00 0.30 H new ATOM 0 HB2 ASP A 21 1.454 4.076 15.700 1.00 0.36 H new ATOM 0 HB3 ASP A 21 1.165 3.121 17.141 1.00 0.36 H new ATOM 358 N GLY A 22 2.008 1.652 13.856 1.00 0.24 N ATOM 359 CA GLY A 22 1.249 0.771 12.996 1.00 0.27 C ATOM 360 C GLY A 22 0.077 1.476 12.345 1.00 0.27 C ATOM 361 O GLY A 22 -1.020 0.923 12.272 1.00 0.35 O ATOM 0 H GLY A 22 2.511 2.393 13.368 1.00 0.24 H new ATOM 0 HA2 GLY A 22 1.903 0.368 12.223 1.00 0.27 H new ATOM 0 HA3 GLY A 22 0.884 -0.076 13.577 1.00 0.27 H new ATOM 365 N THR A 23 0.307 2.691 11.857 1.00 0.24 N ATOM 366 CA THR A 23 -0.754 3.463 11.225 1.00 0.27 C ATOM 367 C THR A 23 -0.231 4.249 10.021 1.00 0.22 C ATOM 368 O THR A 23 0.883 4.780 10.053 1.00 0.25 O ATOM 369 CB THR A 23 -1.402 4.438 12.234 1.00 0.34 C ATOM 370 OG1 THR A 23 -1.556 3.794 13.510 1.00 0.47 O ATOM 371 CG2 THR A 23 -2.760 4.911 11.733 1.00 0.43 C ATOM 0 H THR A 23 1.213 3.159 11.887 1.00 0.24 H new ATOM 0 HA THR A 23 -1.506 2.754 10.879 1.00 0.27 H new ATOM 0 HB THR A 23 -0.749 5.304 12.340 1.00 0.34 H new ATOM 0 HG1 THR A 23 -1.966 4.419 14.144 1.00 0.47 H new ATOM 0 HG21 THR A 23 -3.197 5.596 12.459 1.00 0.43 H new ATOM 0 HG22 THR A 23 -2.637 5.423 10.779 1.00 0.43 H new ATOM 0 HG23 THR A 23 -3.419 4.052 11.602 1.00 0.43 H new ATOM 379 N VAL A 24 -1.035 4.304 8.961 1.00 0.25 N ATOM 380 CA VAL A 24 -0.675 5.028 7.743 1.00 0.24 C ATOM 381 C VAL A 24 -1.657 6.178 7.516 1.00 0.28 C ATOM 382 O VAL A 24 -2.858 6.027 7.773 1.00 0.37 O ATOM 383 CB VAL A 24 -0.665 4.087 6.512 1.00 0.29 C ATOM 384 CG1 VAL A 24 -2.049 3.507 6.255 1.00 0.37 C ATOM 385 CG2 VAL A 24 -0.141 4.809 5.276 1.00 0.32 C ATOM 0 H VAL A 24 -1.948 3.851 8.921 1.00 0.25 H new ATOM 0 HA VAL A 24 0.331 5.428 7.868 1.00 0.24 H new ATOM 0 HB VAL A 24 0.010 3.260 6.731 1.00 0.29 H new ATOM 0 HG11 VAL A 24 -2.013 2.851 5.386 1.00 0.37 H new ATOM 0 HG12 VAL A 24 -2.372 2.938 7.126 1.00 0.37 H new ATOM 0 HG13 VAL A 24 -2.754 4.317 6.069 1.00 0.37 H new ATOM 0 HG21 VAL A 24 -0.145 4.126 4.427 1.00 0.32 H new ATOM 0 HG22 VAL A 24 -0.780 5.664 5.056 1.00 0.32 H new ATOM 0 HG23 VAL A 24 0.877 5.154 5.460 1.00 0.32 H new ATOM 395 N ASP A 25 -1.158 7.320 7.050 1.00 0.28 N ATOM 396 CA ASP A 25 -2.016 8.482 6.818 1.00 0.35 C ATOM 397 C ASP A 25 -1.501 9.344 5.662 1.00 0.27 C ATOM 398 O ASP A 25 -0.540 8.980 4.974 1.00 0.26 O ATOM 399 CB ASP A 25 -2.135 9.318 8.102 1.00 0.50 C ATOM 400 CG ASP A 25 -1.104 10.432 8.201 1.00 0.53 C ATOM 401 OD1 ASP A 25 0.105 10.153 8.064 1.00 1.28 O ATOM 402 OD2 ASP A 25 -1.506 11.598 8.431 1.00 1.19 O ATOM 0 H ASP A 25 -0.174 7.467 6.827 1.00 0.28 H new ATOM 0 HA ASP A 25 -3.004 8.117 6.538 1.00 0.35 H new ATOM 0 HB2 ASP A 25 -3.133 9.753 8.151 1.00 0.50 H new ATOM 0 HB3 ASP A 25 -2.031 8.660 8.965 1.00 0.50 H new ATOM 407 N GLY A 26 -2.156 10.485 5.453 1.00 0.27 N ATOM 408 CA GLY A 26 -1.775 11.385 4.386 1.00 0.26 C ATOM 409 C GLY A 26 -0.633 12.306 4.776 1.00 0.32 C ATOM 410 O GLY A 26 -0.454 12.631 5.949 1.00 0.72 O ATOM 0 H GLY A 26 -2.950 10.800 6.011 1.00 0.27 H new ATOM 0 HA2 GLY A 26 -1.484 10.803 3.512 1.00 0.26 H new ATOM 0 HA3 GLY A 26 -2.638 11.985 4.097 1.00 0.26 H new ATOM 414 N THR A 27 0.135 12.728 3.786 1.00 0.25 N ATOM 415 CA THR A 27 1.271 13.614 3.996 1.00 0.23 C ATOM 416 C THR A 27 1.827 14.065 2.646 1.00 0.23 C ATOM 417 O THR A 27 1.676 13.362 1.643 1.00 0.26 O ATOM 418 CB THR A 27 2.381 12.935 4.844 1.00 0.30 C ATOM 419 OG1 THR A 27 2.018 12.951 6.231 1.00 0.60 O ATOM 420 CG2 THR A 27 3.726 13.630 4.683 1.00 0.65 C ATOM 0 H THR A 27 -0.011 12.466 2.811 1.00 0.25 H new ATOM 0 HA THR A 27 0.925 14.484 4.554 1.00 0.23 H new ATOM 0 HB THR A 27 2.477 11.910 4.486 1.00 0.30 H new ATOM 0 HG1 THR A 27 1.080 13.219 6.320 1.00 0.60 H new ATOM 0 HG21 THR A 27 4.473 13.123 5.293 1.00 0.65 H new ATOM 0 HG22 THR A 27 4.029 13.598 3.637 1.00 0.65 H new ATOM 0 HG23 THR A 27 3.640 14.668 5.004 1.00 0.65 H new ATOM 428 N ARG A 28 2.439 15.242 2.621 1.00 0.26 N ATOM 429 CA ARG A 28 3.012 15.789 1.397 1.00 0.29 C ATOM 430 C ARG A 28 4.534 15.703 1.439 1.00 0.29 C ATOM 431 O ARG A 28 5.166 16.222 2.363 1.00 0.39 O ATOM 432 CB ARG A 28 2.562 17.244 1.195 1.00 0.36 C ATOM 433 CG ARG A 28 2.921 18.166 2.351 1.00 0.44 C ATOM 434 CD ARG A 28 2.450 19.590 2.098 1.00 0.57 C ATOM 435 NE ARG A 28 0.988 19.691 2.074 1.00 0.66 N ATOM 436 CZ ARG A 28 0.239 20.056 3.122 1.00 0.85 C ATOM 437 NH1 ARG A 28 0.807 20.387 4.279 1.00 1.04 N ATOM 438 NH2 ARG A 28 -1.084 20.102 3.008 1.00 1.12 N ATOM 0 H ARG A 28 2.552 15.840 3.440 1.00 0.26 H new ATOM 0 HA ARG A 28 2.654 15.198 0.554 1.00 0.29 H new ATOM 0 HB2 ARG A 28 3.014 17.630 0.281 1.00 0.36 H new ATOM 0 HB3 ARG A 28 1.482 17.263 1.050 1.00 0.36 H new ATOM 0 HG2 ARG A 28 2.470 17.791 3.270 1.00 0.44 H new ATOM 0 HG3 ARG A 28 4.001 18.160 2.500 1.00 0.44 H new ATOM 0 HD2 ARG A 28 2.846 20.245 2.874 1.00 0.57 H new ATOM 0 HD3 ARG A 28 2.853 19.941 1.148 1.00 0.57 H new ATOM 0 HE ARG A 28 0.510 19.468 1.201 1.00 0.66 H new ATOM 0 HH11 ARG A 28 1.822 20.364 4.374 1.00 1.04 H new ATOM 0 HH12 ARG A 28 0.227 20.664 5.071 1.00 1.04 H new ATOM 0 HH21 ARG A 28 -1.528 19.859 2.123 1.00 1.12 H new ATOM 0 HH22 ARG A 28 -1.655 20.380 3.806 1.00 1.12 H new ATOM 452 N ASP A 29 5.113 15.037 0.448 1.00 0.27 N ATOM 453 CA ASP A 29 6.561 14.883 0.368 1.00 0.29 C ATOM 454 C ASP A 29 7.005 14.781 -1.092 1.00 0.30 C ATOM 455 O ASP A 29 6.185 14.940 -2.003 1.00 0.37 O ATOM 456 CB ASP A 29 7.009 13.647 1.149 1.00 0.31 C ATOM 457 CG ASP A 29 8.390 13.819 1.745 1.00 0.39 C ATOM 458 OD1 ASP A 29 9.380 13.813 0.984 1.00 0.47 O ATOM 459 OD2 ASP A 29 8.494 13.982 2.978 1.00 0.53 O ATOM 0 H ASP A 29 4.601 14.593 -0.314 1.00 0.27 H new ATOM 0 HA ASP A 29 7.029 15.762 0.812 1.00 0.29 H new ATOM 0 HB2 ASP A 29 6.294 13.443 1.946 1.00 0.31 H new ATOM 0 HB3 ASP A 29 7.005 12.780 0.488 1.00 0.31 H new ATOM 464 N ARG A 30 8.286 14.506 -1.317 1.00 0.35 N ATOM 465 CA ARG A 30 8.823 14.409 -2.670 1.00 0.39 C ATOM 466 C ARG A 30 9.140 12.959 -3.041 1.00 0.37 C ATOM 467 O ARG A 30 10.303 12.578 -3.162 1.00 0.41 O ATOM 468 CB ARG A 30 10.076 15.284 -2.807 1.00 0.48 C ATOM 469 CG ARG A 30 10.688 15.269 -4.200 1.00 0.53 C ATOM 470 CD ARG A 30 9.706 15.773 -5.243 1.00 0.62 C ATOM 471 NE ARG A 30 10.078 15.352 -6.591 1.00 0.72 N ATOM 472 CZ ARG A 30 9.212 15.207 -7.599 1.00 0.86 C ATOM 473 NH1 ARG A 30 7.917 15.472 -7.420 1.00 1.07 N ATOM 474 NH2 ARG A 30 9.642 14.796 -8.785 1.00 1.02 N ATOM 0 H ARG A 30 8.972 14.346 -0.579 1.00 0.35 H new ATOM 0 HA ARG A 30 8.062 14.770 -3.362 1.00 0.39 H new ATOM 0 HB2 ARG A 30 9.821 16.311 -2.544 1.00 0.48 H new ATOM 0 HB3 ARG A 30 10.823 14.947 -2.089 1.00 0.48 H new ATOM 0 HG2 ARG A 30 11.584 15.890 -4.212 1.00 0.53 H new ATOM 0 HG3 ARG A 30 10.999 14.255 -4.451 1.00 0.53 H new ATOM 0 HD2 ARG A 30 8.708 15.403 -5.010 1.00 0.62 H new ATOM 0 HD3 ARG A 30 9.660 16.861 -5.202 1.00 0.62 H new ATOM 0 HE ARG A 30 11.062 15.156 -6.775 1.00 0.72 H new ATOM 0 HH11 ARG A 30 7.582 15.787 -6.510 1.00 1.07 H new ATOM 0 HH12 ARG A 30 7.262 15.359 -8.193 1.00 1.07 H new ATOM 0 HH21 ARG A 30 10.631 14.591 -8.926 1.00 1.02 H new ATOM 0 HH22 ARG A 30 8.983 14.685 -9.556 1.00 1.02 H new ATOM 488 N SER A 31 8.094 12.150 -3.196 1.00 0.44 N ATOM 489 CA SER A 31 8.240 10.740 -3.573 1.00 0.51 C ATOM 490 C SER A 31 8.759 9.867 -2.422 1.00 0.51 C ATOM 491 O SER A 31 8.747 8.640 -2.524 1.00 0.86 O ATOM 492 CB SER A 31 9.164 10.608 -4.791 1.00 0.65 C ATOM 493 OG SER A 31 8.800 11.527 -5.813 1.00 0.74 O ATOM 0 H SER A 31 7.127 12.447 -3.066 1.00 0.44 H new ATOM 0 HA SER A 31 7.244 10.377 -3.826 1.00 0.51 H new ATOM 0 HB2 SER A 31 10.196 10.786 -4.489 1.00 0.65 H new ATOM 0 HB3 SER A 31 9.116 9.591 -5.179 1.00 0.65 H new ATOM 0 HG SER A 31 9.405 11.423 -6.577 1.00 0.74 H new ATOM 499 N ASP A 32 9.203 10.485 -1.329 1.00 0.47 N ATOM 500 CA ASP A 32 9.712 9.734 -0.190 1.00 0.47 C ATOM 501 C ASP A 32 8.664 9.685 0.915 1.00 0.49 C ATOM 502 O ASP A 32 8.149 10.718 1.343 1.00 1.05 O ATOM 503 CB ASP A 32 11.016 10.344 0.335 1.00 0.57 C ATOM 504 CG ASP A 32 12.245 9.839 -0.402 1.00 0.73 C ATOM 505 OD1 ASP A 32 12.495 8.616 -0.388 1.00 1.11 O ATOM 506 OD2 ASP A 32 12.974 10.668 -0.989 1.00 0.83 O ATOM 0 H ASP A 32 9.220 11.498 -1.211 1.00 0.47 H new ATOM 0 HA ASP A 32 9.927 8.717 -0.519 1.00 0.47 H new ATOM 0 HB2 ASP A 32 10.965 11.429 0.245 1.00 0.57 H new ATOM 0 HB3 ASP A 32 11.116 10.116 1.396 1.00 0.57 H new ATOM 511 N GLN A 33 8.344 8.473 1.353 1.00 0.35 N ATOM 512 CA GLN A 33 7.355 8.262 2.408 1.00 0.34 C ATOM 513 C GLN A 33 7.928 8.696 3.774 1.00 0.35 C ATOM 514 O GLN A 33 8.465 9.798 3.896 1.00 0.54 O ATOM 515 CB GLN A 33 6.931 6.785 2.409 1.00 0.45 C ATOM 516 CG GLN A 33 5.634 6.505 3.160 1.00 0.53 C ATOM 517 CD GLN A 33 5.735 5.291 4.063 1.00 0.71 C ATOM 518 OE1 GLN A 33 6.800 5.004 4.611 1.00 0.98 O ATOM 519 NE2 GLN A 33 4.633 4.575 4.229 1.00 0.82 N ATOM 0 H GLN A 33 8.758 7.614 0.991 1.00 0.35 H new ATOM 0 HA GLN A 33 6.473 8.874 2.221 1.00 0.34 H new ATOM 0 HB2 GLN A 33 6.819 6.450 1.378 1.00 0.45 H new ATOM 0 HB3 GLN A 33 7.730 6.190 2.852 1.00 0.45 H new ATOM 0 HG2 GLN A 33 5.369 7.377 3.758 1.00 0.53 H new ATOM 0 HG3 GLN A 33 4.828 6.353 2.442 1.00 0.53 H new ATOM 0 HE21 GLN A 33 3.771 4.848 3.756 1.00 0.82 H new ATOM 0 HE22 GLN A 33 4.646 3.751 4.830 1.00 0.82 H new ATOM 528 N HIS A 34 7.828 7.833 4.798 1.00 0.34 N ATOM 529 CA HIS A 34 8.350 8.146 6.132 1.00 0.39 C ATOM 530 C HIS A 34 9.791 8.644 6.034 1.00 0.37 C ATOM 531 O HIS A 34 10.213 9.511 6.791 1.00 0.50 O ATOM 532 CB HIS A 34 8.272 6.899 7.026 1.00 0.48 C ATOM 533 CG HIS A 34 9.028 7.007 8.314 1.00 0.63 C ATOM 534 ND1 HIS A 34 10.067 6.163 8.646 1.00 0.86 N ATOM 535 CD2 HIS A 34 8.878 7.848 9.363 1.00 0.83 C ATOM 536 CE1 HIS A 34 10.521 6.482 9.846 1.00 0.99 C ATOM 537 NE2 HIS A 34 9.816 7.500 10.300 1.00 0.95 N ATOM 0 H HIS A 34 7.390 6.915 4.725 1.00 0.34 H new ATOM 0 HA HIS A 34 7.744 8.936 6.575 1.00 0.39 H new ATOM 0 HB2 HIS A 34 7.225 6.694 7.250 1.00 0.48 H new ATOM 0 HB3 HIS A 34 8.652 6.043 6.468 1.00 0.48 H new ATOM 0 HD2 HIS A 34 8.154 8.645 9.447 1.00 0.83 H new ATOM 0 HE1 HIS A 34 11.331 5.992 10.366 1.00 0.99 H new ATOM 0 HE2 HIS A 34 9.948 7.955 11.203 1.00 0.95 H new ATOM 546 N ILE A 35 10.523 8.064 5.093 1.00 0.31 N ATOM 547 CA ILE A 35 11.916 8.416 4.825 1.00 0.34 C ATOM 548 C ILE A 35 12.250 7.998 3.396 1.00 0.33 C ATOM 549 O ILE A 35 12.830 8.758 2.626 1.00 0.40 O ATOM 550 CB ILE A 35 12.905 7.724 5.794 1.00 0.39 C ATOM 551 CG1 ILE A 35 12.541 8.021 7.251 1.00 0.42 C ATOM 552 CG2 ILE A 35 14.332 8.169 5.499 1.00 0.52 C ATOM 553 CD1 ILE A 35 13.537 7.475 8.252 1.00 0.51 C ATOM 0 H ILE A 35 10.165 7.327 4.486 1.00 0.31 H new ATOM 0 HA ILE A 35 12.023 9.491 4.967 1.00 0.34 H new ATOM 0 HB ILE A 35 12.836 6.647 5.642 1.00 0.39 H new ATOM 0 HG12 ILE A 35 12.461 9.100 7.383 1.00 0.42 H new ATOM 0 HG13 ILE A 35 11.558 7.600 7.463 1.00 0.42 H new ATOM 0 HG21 ILE A 35 15.017 7.675 6.188 1.00 0.52 H new ATOM 0 HG22 ILE A 35 14.592 7.902 4.475 1.00 0.52 H new ATOM 0 HG23 ILE A 35 14.409 9.249 5.623 1.00 0.52 H new ATOM 0 HD11 ILE A 35 13.212 7.725 9.262 1.00 0.51 H new ATOM 0 HD12 ILE A 35 13.600 6.392 8.149 1.00 0.51 H new ATOM 0 HD13 ILE A 35 14.517 7.915 8.067 1.00 0.51 H new ATOM 565 N GLN A 36 11.874 6.761 3.069 1.00 0.29 N ATOM 566 CA GLN A 36 12.081 6.192 1.746 1.00 0.30 C ATOM 567 C GLN A 36 11.374 4.842 1.670 1.00 0.30 C ATOM 568 O GLN A 36 11.697 3.932 2.432 1.00 0.64 O ATOM 569 CB GLN A 36 13.575 6.020 1.468 1.00 0.37 C ATOM 570 CG GLN A 36 13.878 5.214 0.214 1.00 0.40 C ATOM 571 CD GLN A 36 15.341 4.839 0.117 1.00 0.47 C ATOM 572 OE1 GLN A 36 16.090 5.399 -0.684 1.00 0.76 O ATOM 573 NE2 GLN A 36 15.764 3.912 0.958 1.00 0.61 N ATOM 0 H GLN A 36 11.415 6.126 3.722 1.00 0.29 H new ATOM 0 HA GLN A 36 11.669 6.865 0.994 1.00 0.30 H new ATOM 0 HB2 GLN A 36 14.033 7.005 1.375 1.00 0.37 H new ATOM 0 HB3 GLN A 36 14.040 5.531 2.324 1.00 0.37 H new ATOM 0 HG2 GLN A 36 13.271 4.308 0.210 1.00 0.40 H new ATOM 0 HG3 GLN A 36 13.593 5.792 -0.665 1.00 0.40 H new ATOM 0 HE21 GLN A 36 15.109 3.473 1.605 1.00 0.61 H new ATOM 0 HE22 GLN A 36 16.746 3.635 0.960 1.00 0.61 H new ATOM 582 N LEU A 37 10.404 4.717 0.777 1.00 0.27 N ATOM 583 CA LEU A 37 9.655 3.472 0.636 1.00 0.25 C ATOM 584 C LEU A 37 10.141 2.705 -0.588 1.00 0.22 C ATOM 585 O LEU A 37 10.375 3.298 -1.642 1.00 0.26 O ATOM 586 CB LEU A 37 8.152 3.760 0.522 1.00 0.33 C ATOM 587 CG LEU A 37 7.226 2.715 1.152 1.00 0.42 C ATOM 588 CD1 LEU A 37 5.794 3.231 1.194 1.00 0.57 C ATOM 589 CD2 LEU A 37 7.297 1.399 0.387 1.00 0.53 C ATOM 0 H LEU A 37 10.116 5.459 0.139 1.00 0.27 H new ATOM 0 HA LEU A 37 9.823 2.861 1.523 1.00 0.25 H new ATOM 0 HB2 LEU A 37 7.949 4.725 0.986 1.00 0.33 H new ATOM 0 HB3 LEU A 37 7.898 3.855 -0.534 1.00 0.33 H new ATOM 0 HG LEU A 37 7.560 2.533 2.174 1.00 0.42 H new ATOM 0 HD11 LEU A 37 5.149 2.477 1.644 1.00 0.57 H new ATOM 0 HD12 LEU A 37 5.754 4.144 1.787 1.00 0.57 H new ATOM 0 HD13 LEU A 37 5.453 3.442 0.180 1.00 0.57 H new ATOM 0 HD21 LEU A 37 6.632 0.672 0.852 1.00 0.53 H new ATOM 0 HD22 LEU A 37 6.991 1.562 -0.646 1.00 0.53 H new ATOM 0 HD23 LEU A 37 8.319 1.021 0.408 1.00 0.53 H new ATOM 601 N GLN A 38 10.322 1.402 -0.433 1.00 0.23 N ATOM 602 CA GLN A 38 10.776 0.553 -1.527 1.00 0.27 C ATOM 603 C GLN A 38 9.780 -0.574 -1.774 1.00 0.24 C ATOM 604 O GLN A 38 9.155 -1.082 -0.839 1.00 0.32 O ATOM 605 CB GLN A 38 12.161 -0.026 -1.221 1.00 0.38 C ATOM 606 CG GLN A 38 13.153 1.006 -0.709 1.00 0.51 C ATOM 607 CD GLN A 38 14.519 0.414 -0.413 1.00 0.62 C ATOM 608 OE1 GLN A 38 14.999 -0.468 -1.125 1.00 1.05 O ATOM 609 NE2 GLN A 38 15.139 0.879 0.659 1.00 0.75 N ATOM 0 H GLN A 38 10.161 0.907 0.444 1.00 0.23 H new ATOM 0 HA GLN A 38 10.846 1.164 -2.427 1.00 0.27 H new ATOM 0 HB2 GLN A 38 12.059 -0.818 -0.479 1.00 0.38 H new ATOM 0 HB3 GLN A 38 12.561 -0.485 -2.125 1.00 0.38 H new ATOM 0 HG2 GLN A 38 13.259 1.800 -1.449 1.00 0.51 H new ATOM 0 HG3 GLN A 38 12.757 1.465 0.197 1.00 0.51 H new ATOM 0 HE21 GLN A 38 14.705 1.611 1.222 1.00 0.75 H new ATOM 0 HE22 GLN A 38 16.051 0.506 0.923 1.00 0.75 H new ATOM 618 N LEU A 39 9.629 -0.944 -3.036 1.00 0.24 N ATOM 619 CA LEU A 39 8.720 -2.010 -3.433 1.00 0.24 C ATOM 620 C LEU A 39 9.286 -2.719 -4.655 1.00 0.26 C ATOM 621 O LEU A 39 9.185 -2.212 -5.772 1.00 0.34 O ATOM 622 CB LEU A 39 7.329 -1.434 -3.735 1.00 0.26 C ATOM 623 CG LEU A 39 6.241 -2.457 -4.080 1.00 0.34 C ATOM 624 CD1 LEU A 39 4.872 -1.913 -3.703 1.00 0.38 C ATOM 625 CD2 LEU A 39 6.275 -2.805 -5.562 1.00 0.41 C ATOM 0 H LEU A 39 10.132 -0.515 -3.813 1.00 0.24 H new ATOM 0 HA LEU A 39 8.619 -2.728 -2.619 1.00 0.24 H new ATOM 0 HB2 LEU A 39 6.999 -0.860 -2.869 1.00 0.26 H new ATOM 0 HB3 LEU A 39 7.419 -0.734 -4.566 1.00 0.26 H new ATOM 0 HG LEU A 39 6.433 -3.366 -3.509 1.00 0.34 H new ATOM 0 HD11 LEU A 39 4.107 -2.648 -3.953 1.00 0.38 H new ATOM 0 HD12 LEU A 39 4.844 -1.709 -2.633 1.00 0.38 H new ATOM 0 HD13 LEU A 39 4.683 -0.991 -4.253 1.00 0.38 H new ATOM 0 HD21 LEU A 39 5.494 -3.533 -5.783 1.00 0.41 H new ATOM 0 HD22 LEU A 39 6.108 -1.903 -6.151 1.00 0.41 H new ATOM 0 HD23 LEU A 39 7.247 -3.229 -5.814 1.00 0.41 H new ATOM 637 N SER A 40 9.912 -3.869 -4.436 1.00 0.25 N ATOM 638 CA SER A 40 10.523 -4.636 -5.520 1.00 0.28 C ATOM 639 C SER A 40 11.115 -5.946 -4.989 1.00 0.29 C ATOM 640 O SER A 40 10.846 -6.336 -3.850 1.00 0.38 O ATOM 641 CB SER A 40 11.624 -3.801 -6.196 1.00 0.36 C ATOM 642 OG SER A 40 11.093 -2.884 -7.140 1.00 0.55 O ATOM 0 H SER A 40 10.011 -4.294 -3.514 1.00 0.25 H new ATOM 0 HA SER A 40 9.751 -4.876 -6.252 1.00 0.28 H new ATOM 0 HB2 SER A 40 12.183 -3.255 -5.436 1.00 0.36 H new ATOM 0 HB3 SER A 40 12.329 -4.466 -6.694 1.00 0.36 H new ATOM 0 HG SER A 40 10.557 -2.209 -6.674 1.00 0.55 H new ATOM 648 N ALA A 41 11.900 -6.625 -5.830 1.00 0.33 N ATOM 649 CA ALA A 41 12.556 -7.877 -5.461 1.00 0.37 C ATOM 650 C ALA A 41 11.553 -9.017 -5.277 1.00 0.36 C ATOM 651 O ALA A 41 11.381 -9.542 -4.173 1.00 0.76 O ATOM 652 CB ALA A 41 13.405 -7.685 -4.208 1.00 0.46 C ATOM 0 H ALA A 41 12.097 -6.321 -6.784 1.00 0.33 H new ATOM 0 HA ALA A 41 13.211 -8.161 -6.284 1.00 0.37 H new ATOM 0 HB1 ALA A 41 13.887 -8.627 -3.947 1.00 0.46 H new ATOM 0 HB2 ALA A 41 14.167 -6.928 -4.397 1.00 0.46 H new ATOM 0 HB3 ALA A 41 12.769 -7.362 -3.384 1.00 0.46 H new ATOM 658 N GLU A 42 10.893 -9.403 -6.366 1.00 0.35 N ATOM 659 CA GLU A 42 9.915 -10.488 -6.334 1.00 0.30 C ATOM 660 C GLU A 42 9.586 -10.961 -7.749 1.00 0.33 C ATOM 661 O GLU A 42 9.957 -10.309 -8.730 1.00 0.51 O ATOM 662 CB GLU A 42 8.630 -10.046 -5.625 1.00 0.32 C ATOM 663 CG GLU A 42 8.459 -10.638 -4.234 1.00 0.54 C ATOM 664 CD GLU A 42 8.791 -12.118 -4.176 1.00 0.76 C ATOM 665 OE1 GLU A 42 8.373 -12.867 -5.085 1.00 1.01 O ATOM 666 OE2 GLU A 42 9.484 -12.538 -3.226 1.00 1.05 O ATOM 0 H GLU A 42 11.018 -8.979 -7.285 1.00 0.35 H new ATOM 0 HA GLU A 42 10.356 -11.315 -5.777 1.00 0.30 H new ATOM 0 HB2 GLU A 42 8.624 -8.959 -5.550 1.00 0.32 H new ATOM 0 HB3 GLU A 42 7.773 -10.328 -6.237 1.00 0.32 H new ATOM 0 HG2 GLU A 42 9.099 -10.100 -3.535 1.00 0.54 H new ATOM 0 HG3 GLU A 42 7.431 -10.489 -3.905 1.00 0.54 H new ATOM 673 N SER A 43 8.900 -12.097 -7.849 1.00 0.31 N ATOM 674 CA SER A 43 8.522 -12.646 -9.146 1.00 0.38 C ATOM 675 C SER A 43 7.559 -11.700 -9.858 1.00 0.34 C ATOM 676 O SER A 43 6.776 -11.006 -9.206 1.00 0.61 O ATOM 677 CB SER A 43 7.865 -14.020 -8.976 1.00 0.52 C ATOM 678 OG SER A 43 8.158 -14.583 -7.705 1.00 1.04 O ATOM 0 H SER A 43 8.596 -12.653 -7.050 1.00 0.31 H new ATOM 0 HA SER A 43 9.424 -12.758 -9.748 1.00 0.38 H new ATOM 0 HB2 SER A 43 6.785 -13.925 -9.093 1.00 0.52 H new ATOM 0 HB3 SER A 43 8.213 -14.691 -9.761 1.00 0.52 H new ATOM 0 HG SER A 43 7.495 -14.278 -7.051 1.00 1.04 H new ATOM 684 N VAL A 44 7.622 -11.674 -11.189 1.00 0.39 N ATOM 685 CA VAL A 44 6.754 -10.810 -11.988 1.00 0.39 C ATOM 686 C VAL A 44 5.330 -10.788 -11.416 1.00 0.36 C ATOM 687 O VAL A 44 4.632 -11.804 -11.408 1.00 0.59 O ATOM 688 CB VAL A 44 6.724 -11.249 -13.476 1.00 0.52 C ATOM 689 CG1 VAL A 44 6.334 -12.715 -13.609 1.00 0.60 C ATOM 690 CG2 VAL A 44 5.782 -10.363 -14.285 1.00 0.58 C ATOM 0 H VAL A 44 8.267 -12.243 -11.738 1.00 0.39 H new ATOM 0 HA VAL A 44 7.168 -9.803 -11.941 1.00 0.39 H new ATOM 0 HB VAL A 44 7.730 -11.132 -13.878 1.00 0.52 H new ATOM 0 HG11 VAL A 44 6.321 -12.994 -14.663 1.00 0.60 H new ATOM 0 HG12 VAL A 44 7.058 -13.334 -13.078 1.00 0.60 H new ATOM 0 HG13 VAL A 44 5.343 -12.868 -13.181 1.00 0.60 H new ATOM 0 HG21 VAL A 44 5.778 -10.690 -15.325 1.00 0.58 H new ATOM 0 HG22 VAL A 44 4.774 -10.437 -13.877 1.00 0.58 H new ATOM 0 HG23 VAL A 44 6.120 -9.328 -14.232 1.00 0.58 H new ATOM 700 N GLY A 45 4.926 -9.628 -10.911 1.00 0.32 N ATOM 701 CA GLY A 45 3.604 -9.479 -10.332 1.00 0.33 C ATOM 702 C GLY A 45 3.664 -9.347 -8.823 1.00 0.28 C ATOM 703 O GLY A 45 3.006 -8.482 -8.237 1.00 0.33 O ATOM 0 H GLY A 45 5.496 -8.782 -10.893 1.00 0.32 H new ATOM 0 HA2 GLY A 45 3.118 -8.600 -10.755 1.00 0.33 H new ATOM 0 HA3 GLY A 45 2.991 -10.340 -10.598 1.00 0.33 H new ATOM 707 N GLU A 46 4.470 -10.192 -8.194 1.00 0.27 N ATOM 708 CA GLU A 46 4.626 -10.173 -6.748 1.00 0.28 C ATOM 709 C GLU A 46 5.532 -9.020 -6.351 1.00 0.24 C ATOM 710 O GLU A 46 6.473 -8.685 -7.077 1.00 0.31 O ATOM 711 CB GLU A 46 5.209 -11.497 -6.255 1.00 0.39 C ATOM 712 CG GLU A 46 4.412 -12.711 -6.704 1.00 0.51 C ATOM 713 CD GLU A 46 4.899 -13.993 -6.066 1.00 0.64 C ATOM 714 OE1 GLU A 46 5.918 -14.547 -6.525 1.00 0.86 O ATOM 715 OE2 GLU A 46 4.259 -14.462 -5.103 1.00 0.82 O ATOM 0 H GLU A 46 5.028 -10.903 -8.667 1.00 0.27 H new ATOM 0 HA GLU A 46 3.648 -10.038 -6.287 1.00 0.28 H new ATOM 0 HB2 GLU A 46 6.234 -11.591 -6.615 1.00 0.39 H new ATOM 0 HB3 GLU A 46 5.253 -11.483 -5.166 1.00 0.39 H new ATOM 0 HG2 GLU A 46 3.361 -12.563 -6.457 1.00 0.51 H new ATOM 0 HG3 GLU A 46 4.475 -12.802 -7.788 1.00 0.51 H new ATOM 722 N VAL A 47 5.251 -8.401 -5.214 1.00 0.22 N ATOM 723 CA VAL A 47 6.053 -7.280 -4.761 1.00 0.25 C ATOM 724 C VAL A 47 6.228 -7.272 -3.246 1.00 0.23 C ATOM 725 O VAL A 47 5.288 -7.533 -2.487 1.00 0.29 O ATOM 726 CB VAL A 47 5.447 -5.933 -5.210 1.00 0.32 C ATOM 727 CG1 VAL A 47 5.405 -5.843 -6.730 1.00 0.35 C ATOM 728 CG2 VAL A 47 4.056 -5.739 -4.618 1.00 0.35 C ATOM 0 H VAL A 47 4.481 -8.654 -4.595 1.00 0.22 H new ATOM 0 HA VAL A 47 7.033 -7.404 -5.222 1.00 0.25 H new ATOM 0 HB VAL A 47 6.086 -5.132 -4.838 1.00 0.32 H new ATOM 0 HG11 VAL A 47 4.975 -4.886 -7.026 1.00 0.35 H new ATOM 0 HG12 VAL A 47 6.417 -5.924 -7.127 1.00 0.35 H new ATOM 0 HG13 VAL A 47 4.794 -6.654 -7.126 1.00 0.35 H new ATOM 0 HG21 VAL A 47 3.650 -4.783 -4.949 1.00 0.35 H new ATOM 0 HG22 VAL A 47 3.403 -6.546 -4.951 1.00 0.35 H new ATOM 0 HG23 VAL A 47 4.119 -5.749 -3.530 1.00 0.35 H new ATOM 738 N TYR A 48 7.450 -6.982 -2.822 1.00 0.22 N ATOM 739 CA TYR A 48 7.788 -6.901 -1.414 1.00 0.22 C ATOM 740 C TYR A 48 7.928 -5.432 -1.029 1.00 0.22 C ATOM 741 O TYR A 48 8.715 -4.700 -1.636 1.00 0.29 O ATOM 742 CB TYR A 48 9.083 -7.667 -1.134 1.00 0.25 C ATOM 743 CG TYR A 48 9.671 -7.395 0.228 1.00 0.35 C ATOM 744 CD1 TYR A 48 9.014 -7.794 1.384 1.00 0.49 C ATOM 745 CD2 TYR A 48 10.885 -6.742 0.355 1.00 0.58 C ATOM 746 CE1 TYR A 48 9.555 -7.548 2.630 1.00 0.66 C ATOM 747 CE2 TYR A 48 11.432 -6.492 1.594 1.00 0.74 C ATOM 748 CZ TYR A 48 10.766 -6.896 2.730 1.00 0.72 C ATOM 749 OH TYR A 48 11.319 -6.651 3.968 1.00 0.92 O ATOM 0 H TYR A 48 8.234 -6.797 -3.448 1.00 0.22 H new ATOM 0 HA TYR A 48 6.999 -7.356 -0.815 1.00 0.22 H new ATOM 0 HB2 TYR A 48 8.889 -8.735 -1.229 1.00 0.25 H new ATOM 0 HB3 TYR A 48 9.819 -7.408 -1.895 1.00 0.25 H new ATOM 0 HD1 TYR A 48 8.065 -8.305 1.307 1.00 0.49 H new ATOM 0 HD2 TYR A 48 11.412 -6.423 -0.532 1.00 0.58 H new ATOM 0 HE1 TYR A 48 9.033 -7.864 3.521 1.00 0.66 H new ATOM 0 HE2 TYR A 48 12.380 -5.981 1.675 1.00 0.74 H new ATOM 0 HH TYR A 48 10.633 -6.759 4.660 1.00 0.92 H new ATOM 759 N ILE A 49 7.159 -5.002 -0.037 1.00 0.21 N ATOM 760 CA ILE A 49 7.176 -3.610 0.398 1.00 0.22 C ATOM 761 C ILE A 49 8.200 -3.372 1.505 1.00 0.23 C ATOM 762 O ILE A 49 8.328 -4.169 2.435 1.00 0.37 O ATOM 763 CB ILE A 49 5.781 -3.162 0.888 1.00 0.26 C ATOM 764 CG1 ILE A 49 4.738 -3.366 -0.216 1.00 0.31 C ATOM 765 CG2 ILE A 49 5.811 -1.704 1.332 1.00 0.30 C ATOM 766 CD1 ILE A 49 3.324 -3.030 0.208 1.00 0.38 C ATOM 0 H ILE A 49 6.514 -5.598 0.483 1.00 0.21 H new ATOM 0 HA ILE A 49 7.461 -3.016 -0.471 1.00 0.22 H new ATOM 0 HB ILE A 49 5.503 -3.775 1.745 1.00 0.26 H new ATOM 0 HG12 ILE A 49 5.006 -2.750 -1.074 1.00 0.31 H new ATOM 0 HG13 ILE A 49 4.771 -4.404 -0.546 1.00 0.31 H new ATOM 0 HG21 ILE A 49 4.819 -1.407 1.674 1.00 0.30 H new ATOM 0 HG22 ILE A 49 6.526 -1.586 2.147 1.00 0.30 H new ATOM 0 HG23 ILE A 49 6.109 -1.074 0.494 1.00 0.30 H new ATOM 0 HD11 ILE A 49 2.644 -3.200 -0.627 1.00 0.38 H new ATOM 0 HD12 ILE A 49 3.035 -3.664 1.046 1.00 0.38 H new ATOM 0 HD13 ILE A 49 3.274 -1.984 0.510 1.00 0.38 H new ATOM 778 N LYS A 50 8.935 -2.273 1.385 1.00 0.21 N ATOM 779 CA LYS A 50 9.933 -1.897 2.372 1.00 0.25 C ATOM 780 C LYS A 50 9.809 -0.411 2.708 1.00 0.21 C ATOM 781 O LYS A 50 10.258 0.452 1.950 1.00 0.26 O ATOM 782 CB LYS A 50 11.344 -2.226 1.867 1.00 0.34 C ATOM 783 CG LYS A 50 12.458 -1.848 2.838 1.00 0.49 C ATOM 784 CD LYS A 50 12.142 -2.277 4.267 1.00 0.73 C ATOM 785 CE LYS A 50 11.787 -3.757 4.357 1.00 1.35 C ATOM 786 NZ LYS A 50 12.891 -4.642 3.894 1.00 1.74 N ATOM 0 H LYS A 50 8.855 -1.622 0.604 1.00 0.21 H new ATOM 0 HA LYS A 50 9.758 -2.472 3.281 1.00 0.25 H new ATOM 0 HB2 LYS A 50 11.404 -3.295 1.660 1.00 0.34 H new ATOM 0 HB3 LYS A 50 11.510 -1.709 0.922 1.00 0.34 H new ATOM 0 HG2 LYS A 50 13.391 -2.313 2.518 1.00 0.49 H new ATOM 0 HG3 LYS A 50 12.613 -0.769 2.809 1.00 0.49 H new ATOM 0 HD2 LYS A 50 13.002 -2.072 4.905 1.00 0.73 H new ATOM 0 HD3 LYS A 50 11.312 -1.682 4.648 1.00 0.73 H new ATOM 0 HE2 LYS A 50 11.537 -4.004 5.389 1.00 1.35 H new ATOM 0 HE3 LYS A 50 10.897 -3.950 3.758 1.00 1.35 H new ATOM 0 HZ1 LYS A 50 12.534 -5.613 3.782 1.00 1.74 H new ATOM 0 HZ2 LYS A 50 13.252 -4.299 2.981 1.00 1.74 H new ATOM 0 HZ3 LYS A 50 13.659 -4.634 4.595 1.00 1.74 H new ATOM 800 N SER A 51 9.167 -0.124 3.831 1.00 0.24 N ATOM 801 CA SER A 51 8.969 1.246 4.282 1.00 0.25 C ATOM 802 C SER A 51 10.169 1.722 5.103 1.00 0.25 C ATOM 803 O SER A 51 10.381 1.261 6.222 1.00 0.33 O ATOM 804 CB SER A 51 7.683 1.332 5.110 1.00 0.32 C ATOM 805 OG SER A 51 7.445 0.115 5.803 1.00 0.53 O ATOM 0 H SER A 51 8.771 -0.829 4.452 1.00 0.24 H new ATOM 0 HA SER A 51 8.877 1.896 3.412 1.00 0.25 H new ATOM 0 HB2 SER A 51 7.759 2.153 5.823 1.00 0.32 H new ATOM 0 HB3 SER A 51 6.839 1.554 4.457 1.00 0.32 H new ATOM 0 HG SER A 51 6.620 0.193 6.327 1.00 0.53 H new ATOM 811 N THR A 52 10.946 2.644 4.535 1.00 0.24 N ATOM 812 CA THR A 52 12.134 3.185 5.193 1.00 0.28 C ATOM 813 C THR A 52 13.300 2.209 5.042 1.00 0.28 C ATOM 814 O THR A 52 13.127 1.004 5.220 1.00 0.34 O ATOM 815 CB THR A 52 11.895 3.485 6.694 1.00 0.32 C ATOM 816 OG1 THR A 52 10.678 4.237 6.870 1.00 0.35 O ATOM 817 CG2 THR A 52 13.059 4.265 7.284 1.00 0.38 C ATOM 0 H THR A 52 10.770 3.035 3.610 1.00 0.24 H new ATOM 0 HA THR A 52 12.371 4.131 4.706 1.00 0.28 H new ATOM 0 HB THR A 52 11.809 2.531 7.214 1.00 0.32 H new ATOM 0 HG1 THR A 52 10.693 4.684 7.742 1.00 0.35 H new ATOM 0 HG21 THR A 52 12.867 4.463 8.339 1.00 0.38 H new ATOM 0 HG22 THR A 52 13.975 3.682 7.185 1.00 0.38 H new ATOM 0 HG23 THR A 52 13.171 5.210 6.752 1.00 0.38 H new ATOM 825 N GLU A 53 14.476 2.734 4.697 1.00 0.31 N ATOM 826 CA GLU A 53 15.668 1.903 4.517 1.00 0.35 C ATOM 827 C GLU A 53 15.820 0.919 5.677 1.00 0.31 C ATOM 828 O GLU A 53 16.080 -0.267 5.469 1.00 0.37 O ATOM 829 CB GLU A 53 16.917 2.786 4.407 1.00 0.43 C ATOM 830 CG GLU A 53 18.101 2.107 3.728 1.00 0.47 C ATOM 831 CD GLU A 53 17.913 1.957 2.228 1.00 0.57 C ATOM 832 OE1 GLU A 53 18.138 2.944 1.488 1.00 0.73 O ATOM 833 OE2 GLU A 53 17.532 0.859 1.779 1.00 0.74 O ATOM 0 H GLU A 53 14.629 3.730 4.537 1.00 0.31 H new ATOM 0 HA GLU A 53 15.554 1.334 3.594 1.00 0.35 H new ATOM 0 HB2 GLU A 53 16.663 3.689 3.852 1.00 0.43 H new ATOM 0 HB3 GLU A 53 17.216 3.100 5.407 1.00 0.43 H new ATOM 0 HG2 GLU A 53 19.005 2.685 3.920 1.00 0.47 H new ATOM 0 HG3 GLU A 53 18.252 1.123 4.171 1.00 0.47 H new ATOM 840 N THR A 54 15.646 1.422 6.900 1.00 0.28 N ATOM 841 CA THR A 54 15.760 0.594 8.094 1.00 0.31 C ATOM 842 C THR A 54 14.859 1.113 9.220 1.00 0.33 C ATOM 843 O THR A 54 14.546 2.308 9.277 1.00 0.52 O ATOM 844 CB THR A 54 17.222 0.550 8.591 1.00 0.40 C ATOM 845 OG1 THR A 54 17.848 1.831 8.400 1.00 0.63 O ATOM 846 CG2 THR A 54 18.017 -0.514 7.855 1.00 0.68 C ATOM 0 H THR A 54 15.425 2.400 7.086 1.00 0.28 H new ATOM 0 HA THR A 54 15.439 -0.412 7.822 1.00 0.31 H new ATOM 0 HB THR A 54 17.208 0.303 9.653 1.00 0.40 H new ATOM 0 HG1 THR A 54 18.774 1.794 8.720 1.00 0.63 H new ATOM 0 HG21 THR A 54 19.042 -0.523 8.225 1.00 0.68 H new ATOM 0 HG22 THR A 54 17.562 -1.490 8.024 1.00 0.68 H new ATOM 0 HG23 THR A 54 18.018 -0.294 6.787 1.00 0.68 H new ATOM 854 N GLY A 55 14.422 0.208 10.093 1.00 0.39 N ATOM 855 CA GLY A 55 13.588 0.595 11.218 1.00 0.44 C ATOM 856 C GLY A 55 12.113 0.290 11.016 1.00 0.42 C ATOM 857 O GLY A 55 11.500 -0.401 11.834 1.00 0.76 O ATOM 0 H GLY A 55 14.632 -0.789 10.041 1.00 0.39 H new ATOM 0 HA2 GLY A 55 13.938 0.080 12.113 1.00 0.44 H new ATOM 0 HA3 GLY A 55 13.708 1.663 11.398 1.00 0.44 H new ATOM 861 N GLN A 56 11.544 0.794 9.927 1.00 0.34 N ATOM 862 CA GLN A 56 10.126 0.594 9.636 1.00 0.30 C ATOM 863 C GLN A 56 9.881 -0.709 8.879 1.00 0.27 C ATOM 864 O GLN A 56 10.805 -1.296 8.316 1.00 0.38 O ATOM 865 CB GLN A 56 9.583 1.776 8.828 1.00 0.37 C ATOM 866 CG GLN A 56 8.741 2.743 9.641 1.00 0.49 C ATOM 867 CD GLN A 56 7.427 2.130 10.080 1.00 0.76 C ATOM 868 OE1 GLN A 56 6.439 2.179 9.354 1.00 1.02 O ATOM 869 NE2 GLN A 56 7.409 1.545 11.267 1.00 0.89 N ATOM 0 H GLN A 56 12.043 1.345 9.229 1.00 0.34 H new ATOM 0 HA GLN A 56 9.600 0.530 10.589 1.00 0.30 H new ATOM 0 HB2 GLN A 56 10.420 2.319 8.390 1.00 0.37 H new ATOM 0 HB3 GLN A 56 8.983 1.394 8.002 1.00 0.37 H new ATOM 0 HG2 GLN A 56 9.303 3.061 10.519 1.00 0.49 H new ATOM 0 HG3 GLN A 56 8.543 3.636 9.049 1.00 0.49 H new ATOM 0 HE21 GLN A 56 8.253 1.527 11.839 1.00 0.89 H new ATOM 0 HE22 GLN A 56 6.551 1.113 11.609 1.00 0.89 H new ATOM 878 N TYR A 57 8.623 -1.154 8.874 1.00 0.24 N ATOM 879 CA TYR A 57 8.235 -2.384 8.189 1.00 0.23 C ATOM 880 C TYR A 57 6.725 -2.405 7.959 1.00 0.25 C ATOM 881 O TYR A 57 5.949 -2.466 8.911 1.00 0.42 O ATOM 882 CB TYR A 57 8.660 -3.603 9.011 1.00 0.26 C ATOM 883 CG TYR A 57 9.068 -4.791 8.171 1.00 0.35 C ATOM 884 CD1 TYR A 57 10.387 -4.954 7.767 1.00 0.53 C ATOM 885 CD2 TYR A 57 8.137 -5.744 7.781 1.00 0.54 C ATOM 886 CE1 TYR A 57 10.766 -6.033 6.998 1.00 0.73 C ATOM 887 CE2 TYR A 57 8.510 -6.829 7.012 1.00 0.73 C ATOM 888 CZ TYR A 57 9.827 -6.970 6.624 1.00 0.79 C ATOM 889 OH TYR A 57 10.206 -8.046 5.851 1.00 1.03 O ATOM 0 H TYR A 57 7.852 -0.676 9.341 1.00 0.24 H new ATOM 0 HA TYR A 57 8.738 -2.420 7.223 1.00 0.23 H new ATOM 0 HB2 TYR A 57 9.493 -3.323 9.656 1.00 0.26 H new ATOM 0 HB3 TYR A 57 7.837 -3.896 9.662 1.00 0.26 H new ATOM 0 HD1 TYR A 57 11.127 -4.224 8.060 1.00 0.53 H new ATOM 0 HD2 TYR A 57 7.106 -5.635 8.083 1.00 0.54 H new ATOM 0 HE1 TYR A 57 11.795 -6.144 6.690 1.00 0.73 H new ATOM 0 HE2 TYR A 57 7.775 -7.563 6.716 1.00 0.73 H new ATOM 0 HH TYR A 57 9.426 -8.613 5.675 1.00 1.03 H new ATOM 899 N LEU A 58 6.314 -2.334 6.698 1.00 0.20 N ATOM 900 CA LEU A 58 4.898 -2.337 6.350 1.00 0.22 C ATOM 901 C LEU A 58 4.343 -3.762 6.348 1.00 0.23 C ATOM 902 O LEU A 58 4.877 -4.645 5.671 1.00 0.30 O ATOM 903 CB LEU A 58 4.688 -1.680 4.978 1.00 0.27 C ATOM 904 CG LEU A 58 3.267 -1.185 4.681 1.00 0.32 C ATOM 905 CD1 LEU A 58 2.277 -2.342 4.651 1.00 0.39 C ATOM 906 CD2 LEU A 58 2.841 -0.141 5.704 1.00 0.38 C ATOM 0 H LEU A 58 6.943 -2.273 5.898 1.00 0.20 H new ATOM 0 HA LEU A 58 4.358 -1.762 7.102 1.00 0.22 H new ATOM 0 HB2 LEU A 58 5.371 -0.835 4.893 1.00 0.27 H new ATOM 0 HB3 LEU A 58 4.971 -2.397 4.207 1.00 0.27 H new ATOM 0 HG LEU A 58 3.271 -0.722 3.694 1.00 0.32 H new ATOM 0 HD11 LEU A 58 1.278 -1.961 4.438 1.00 0.39 H new ATOM 0 HD12 LEU A 58 2.568 -3.050 3.875 1.00 0.39 H new ATOM 0 HD13 LEU A 58 2.275 -2.845 5.618 1.00 0.39 H new ATOM 0 HD21 LEU A 58 1.830 0.199 5.478 1.00 0.38 H new ATOM 0 HD22 LEU A 58 2.861 -0.580 6.702 1.00 0.38 H new ATOM 0 HD23 LEU A 58 3.526 0.706 5.666 1.00 0.38 H new ATOM 918 N ALA A 59 3.281 -3.980 7.114 1.00 0.23 N ATOM 919 CA ALA A 59 2.647 -5.289 7.199 1.00 0.27 C ATOM 920 C ALA A 59 1.127 -5.152 7.266 1.00 0.24 C ATOM 921 O ALA A 59 0.605 -4.142 7.747 1.00 0.26 O ATOM 922 CB ALA A 59 3.168 -6.054 8.408 1.00 0.35 C ATOM 0 H ALA A 59 2.839 -3.262 7.688 1.00 0.23 H new ATOM 0 HA ALA A 59 2.898 -5.850 6.299 1.00 0.27 H new ATOM 0 HB1 ALA A 59 2.685 -7.030 8.457 1.00 0.35 H new ATOM 0 HB2 ALA A 59 4.246 -6.187 8.317 1.00 0.35 H new ATOM 0 HB3 ALA A 59 2.947 -5.493 9.316 1.00 0.35 H new ATOM 928 N MET A 60 0.422 -6.166 6.777 1.00 0.28 N ATOM 929 CA MET A 60 -1.037 -6.161 6.782 1.00 0.30 C ATOM 930 C MET A 60 -1.581 -7.093 7.859 1.00 0.26 C ATOM 931 O MET A 60 -1.074 -8.201 8.045 1.00 0.44 O ATOM 932 CB MET A 60 -1.590 -6.575 5.411 1.00 0.40 C ATOM 933 CG MET A 60 -1.207 -7.986 4.982 1.00 0.73 C ATOM 934 SD MET A 60 -2.639 -8.997 4.545 1.00 0.93 S ATOM 935 CE MET A 60 -2.956 -9.822 6.103 1.00 1.97 C ATOM 0 H MET A 60 0.838 -7.004 6.371 1.00 0.28 H new ATOM 0 HA MET A 60 -1.362 -5.144 7.001 1.00 0.30 H new ATOM 0 HB2 MET A 60 -2.677 -6.496 5.432 1.00 0.40 H new ATOM 0 HB3 MET A 60 -1.233 -5.870 4.660 1.00 0.40 H new ATOM 0 HG2 MET A 60 -0.533 -7.931 4.128 1.00 0.73 H new ATOM 0 HG3 MET A 60 -0.659 -8.470 5.790 1.00 0.73 H new ATOM 0 HE1 MET A 60 -3.836 -10.458 6.006 1.00 1.97 H new ATOM 0 HE2 MET A 60 -2.095 -10.433 6.373 1.00 1.97 H new ATOM 0 HE3 MET A 60 -3.130 -9.078 6.880 1.00 1.97 H new ATOM 945 N ASP A 61 -2.597 -6.628 8.577 1.00 0.30 N ATOM 946 CA ASP A 61 -3.226 -7.421 9.627 1.00 0.31 C ATOM 947 C ASP A 61 -4.261 -8.368 9.028 1.00 0.29 C ATOM 948 O ASP A 61 -4.942 -8.021 8.057 1.00 0.34 O ATOM 949 CB ASP A 61 -3.890 -6.522 10.674 1.00 0.42 C ATOM 950 CG ASP A 61 -4.578 -7.330 11.759 1.00 0.68 C ATOM 951 OD1 ASP A 61 -3.922 -7.660 12.767 1.00 0.94 O ATOM 952 OD2 ASP A 61 -5.775 -7.640 11.603 1.00 0.96 O ATOM 0 H ASP A 61 -3.004 -5.701 8.450 1.00 0.30 H new ATOM 0 HA ASP A 61 -2.447 -8.004 10.118 1.00 0.31 H new ATOM 0 HB2 ASP A 61 -3.139 -5.874 11.125 1.00 0.42 H new ATOM 0 HB3 ASP A 61 -4.619 -5.874 10.187 1.00 0.42 H new ATOM 957 N THR A 62 -4.378 -9.554 9.617 1.00 0.37 N ATOM 958 CA THR A 62 -5.315 -10.570 9.145 1.00 0.44 C ATOM 959 C THR A 62 -6.732 -10.009 8.954 1.00 0.41 C ATOM 960 O THR A 62 -7.408 -10.341 7.976 1.00 0.50 O ATOM 961 CB THR A 62 -5.355 -11.784 10.108 1.00 0.59 C ATOM 962 OG1 THR A 62 -6.069 -12.881 9.502 1.00 0.85 O ATOM 963 CG2 THR A 62 -6.002 -11.413 11.439 1.00 0.74 C ATOM 0 H THR A 62 -3.830 -9.838 10.430 1.00 0.37 H new ATOM 0 HA THR A 62 -4.951 -10.900 8.172 1.00 0.44 H new ATOM 0 HB THR A 62 -4.327 -12.090 10.303 1.00 0.59 H new ATOM 0 HG1 THR A 62 -6.086 -13.642 10.120 1.00 0.85 H new ATOM 0 HG21 THR A 62 -6.015 -12.285 12.093 1.00 0.74 H new ATOM 0 HG22 THR A 62 -5.430 -10.614 11.911 1.00 0.74 H new ATOM 0 HG23 THR A 62 -7.023 -11.074 11.265 1.00 0.74 H new ATOM 971 N ASP A 63 -7.170 -9.144 9.869 1.00 0.36 N ATOM 972 CA ASP A 63 -8.511 -8.564 9.795 1.00 0.41 C ATOM 973 C ASP A 63 -8.683 -7.727 8.531 1.00 0.40 C ATOM 974 O ASP A 63 -9.762 -7.689 7.940 1.00 0.65 O ATOM 975 CB ASP A 63 -8.801 -7.704 11.029 1.00 0.47 C ATOM 976 CG ASP A 63 -10.201 -7.123 11.010 1.00 0.62 C ATOM 977 OD1 ASP A 63 -11.169 -7.885 11.214 1.00 0.82 O ATOM 978 OD2 ASP A 63 -10.342 -5.903 10.802 1.00 0.75 O ATOM 0 H ASP A 63 -6.618 -8.830 10.667 1.00 0.36 H new ATOM 0 HA ASP A 63 -9.222 -9.390 9.763 1.00 0.41 H new ATOM 0 HB2 ASP A 63 -8.673 -8.307 11.928 1.00 0.47 H new ATOM 0 HB3 ASP A 63 -8.074 -6.893 11.083 1.00 0.47 H new ATOM 983 N GLY A 64 -7.608 -7.072 8.110 1.00 0.45 N ATOM 984 CA GLY A 64 -7.660 -6.243 6.922 1.00 0.50 C ATOM 985 C GLY A 64 -7.228 -4.818 7.189 1.00 0.43 C ATOM 986 O GLY A 64 -7.899 -3.870 6.773 1.00 0.64 O ATOM 0 H GLY A 64 -6.699 -7.101 8.572 1.00 0.45 H new ATOM 0 HA2 GLY A 64 -7.019 -6.675 6.153 1.00 0.50 H new ATOM 0 HA3 GLY A 64 -8.676 -6.243 6.527 1.00 0.50 H new ATOM 990 N LEU A 65 -6.102 -4.670 7.876 1.00 0.40 N ATOM 991 CA LEU A 65 -5.563 -3.358 8.203 1.00 0.34 C ATOM 992 C LEU A 65 -4.063 -3.336 7.918 1.00 0.33 C ATOM 993 O LEU A 65 -3.354 -4.286 8.252 1.00 0.60 O ATOM 994 CB LEU A 65 -5.828 -3.031 9.679 1.00 0.37 C ATOM 995 CG LEU A 65 -6.223 -1.581 9.982 1.00 0.71 C ATOM 996 CD1 LEU A 65 -5.145 -0.612 9.525 1.00 1.23 C ATOM 997 CD2 LEU A 65 -7.556 -1.244 9.329 1.00 1.16 C ATOM 0 H LEU A 65 -5.541 -5.450 8.219 1.00 0.40 H new ATOM 0 HA LEU A 65 -6.054 -2.604 7.588 1.00 0.34 H new ATOM 0 HB2 LEU A 65 -6.621 -3.686 10.040 1.00 0.37 H new ATOM 0 HB3 LEU A 65 -4.932 -3.270 10.251 1.00 0.37 H new ATOM 0 HG LEU A 65 -6.329 -1.480 11.062 1.00 0.71 H new ATOM 0 HD11 LEU A 65 -5.453 0.409 9.753 1.00 1.23 H new ATOM 0 HD12 LEU A 65 -4.212 -0.834 10.044 1.00 1.23 H new ATOM 0 HD13 LEU A 65 -4.996 -0.714 8.450 1.00 1.23 H new ATOM 0 HD21 LEU A 65 -7.821 -0.211 9.555 1.00 1.16 H new ATOM 0 HD22 LEU A 65 -7.475 -1.370 8.249 1.00 1.16 H new ATOM 0 HD23 LEU A 65 -8.329 -1.909 9.715 1.00 1.16 H new ATOM 1009 N LEU A 66 -3.588 -2.272 7.286 1.00 0.37 N ATOM 1010 CA LEU A 66 -2.172 -2.145 6.961 1.00 0.36 C ATOM 1011 C LEU A 66 -1.468 -1.298 8.014 1.00 0.34 C ATOM 1012 O LEU A 66 -1.946 -0.219 8.374 1.00 0.45 O ATOM 1013 CB LEU A 66 -1.995 -1.521 5.573 1.00 0.41 C ATOM 1014 CG LEU A 66 -2.498 -2.371 4.398 1.00 0.50 C ATOM 1015 CD1 LEU A 66 -4.019 -2.409 4.362 1.00 0.57 C ATOM 1016 CD2 LEU A 66 -1.948 -1.839 3.084 1.00 0.61 C ATOM 0 H LEU A 66 -4.162 -1.483 6.987 1.00 0.37 H new ATOM 0 HA LEU A 66 -1.725 -3.139 6.952 1.00 0.36 H new ATOM 0 HB2 LEU A 66 -2.515 -0.563 5.555 1.00 0.41 H new ATOM 0 HB3 LEU A 66 -0.936 -1.311 5.420 1.00 0.41 H new ATOM 0 HG LEU A 66 -2.138 -3.390 4.540 1.00 0.50 H new ATOM 0 HD11 LEU A 66 -4.348 -3.018 3.520 1.00 0.57 H new ATOM 0 HD12 LEU A 66 -4.394 -2.840 5.290 1.00 0.57 H new ATOM 0 HD13 LEU A 66 -4.406 -1.396 4.250 1.00 0.57 H new ATOM 0 HD21 LEU A 66 -2.314 -2.453 2.261 1.00 0.61 H new ATOM 0 HD22 LEU A 66 -2.276 -0.809 2.943 1.00 0.61 H new ATOM 0 HD23 LEU A 66 -0.859 -1.873 3.105 1.00 0.61 H new ATOM 1028 N TYR A 67 -0.344 -1.790 8.514 1.00 0.28 N ATOM 1029 CA TYR A 67 0.407 -1.083 9.538 1.00 0.33 C ATOM 1030 C TYR A 67 1.908 -1.170 9.280 1.00 0.30 C ATOM 1031 O TYR A 67 2.374 -2.054 8.557 1.00 0.32 O ATOM 1032 CB TYR A 67 0.075 -1.654 10.922 1.00 0.43 C ATOM 1033 CG TYR A 67 0.342 -3.139 11.050 1.00 0.41 C ATOM 1034 CD1 TYR A 67 1.593 -3.606 11.431 1.00 0.55 C ATOM 1035 CD2 TYR A 67 -0.655 -4.071 10.790 1.00 0.45 C ATOM 1036 CE1 TYR A 67 1.844 -4.959 11.548 1.00 0.65 C ATOM 1037 CE2 TYR A 67 -0.412 -5.425 10.905 1.00 0.55 C ATOM 1038 CZ TYR A 67 0.838 -5.865 11.285 1.00 0.63 C ATOM 1039 OH TYR A 67 1.085 -7.216 11.404 1.00 0.80 O ATOM 0 H TYR A 67 0.068 -2.678 8.226 1.00 0.28 H new ATOM 0 HA TYR A 67 0.119 -0.032 9.505 1.00 0.33 H new ATOM 0 HB2 TYR A 67 0.659 -1.123 11.674 1.00 0.43 H new ATOM 0 HB3 TYR A 67 -0.975 -1.463 11.141 1.00 0.43 H new ATOM 0 HD1 TYR A 67 2.383 -2.899 11.639 1.00 0.55 H new ATOM 0 HD2 TYR A 67 -1.636 -3.731 10.493 1.00 0.45 H new ATOM 0 HE1 TYR A 67 2.823 -5.306 11.844 1.00 0.65 H new ATOM 0 HE2 TYR A 67 -1.198 -6.137 10.698 1.00 0.55 H new ATOM 0 HH TYR A 67 0.272 -7.718 11.185 1.00 0.80 H new ATOM 1049 N GLY A 68 2.653 -0.238 9.863 1.00 0.34 N ATOM 1050 CA GLY A 68 4.094 -0.217 9.704 1.00 0.38 C ATOM 1051 C GLY A 68 4.819 -0.468 11.012 1.00 0.52 C ATOM 1052 O GLY A 68 5.067 0.463 11.779 1.00 1.27 O ATOM 0 H GLY A 68 2.280 0.510 10.448 1.00 0.34 H new ATOM 0 HA2 GLY A 68 4.388 -0.973 8.977 1.00 0.38 H new ATOM 0 HA3 GLY A 68 4.399 0.749 9.301 1.00 0.38 H new ATOM 1056 N SER A 69 5.167 -1.721 11.264 1.00 0.36 N ATOM 1057 CA SER A 69 5.870 -2.101 12.483 1.00 0.39 C ATOM 1058 C SER A 69 6.910 -3.174 12.171 1.00 0.32 C ATOM 1059 O SER A 69 6.658 -4.070 11.364 1.00 0.37 O ATOM 1060 CB SER A 69 4.879 -2.604 13.537 1.00 0.51 C ATOM 1061 OG SER A 69 3.859 -1.642 13.787 1.00 1.23 O ATOM 0 H SER A 69 4.972 -2.500 10.635 1.00 0.36 H new ATOM 0 HA SER A 69 6.379 -1.225 12.884 1.00 0.39 H new ATOM 0 HB2 SER A 69 4.428 -3.537 13.199 1.00 0.51 H new ATOM 0 HB3 SER A 69 5.410 -2.824 14.463 1.00 0.51 H new ATOM 0 HG SER A 69 4.269 -0.788 14.039 1.00 1.23 H new ATOM 1067 N GLN A 70 8.083 -3.071 12.794 1.00 0.31 N ATOM 1068 CA GLN A 70 9.163 -4.027 12.562 1.00 0.33 C ATOM 1069 C GLN A 70 8.758 -5.435 12.998 1.00 0.32 C ATOM 1070 O GLN A 70 8.932 -5.821 14.159 1.00 0.45 O ATOM 1071 CB GLN A 70 10.442 -3.596 13.290 1.00 0.43 C ATOM 1072 CG GLN A 70 11.691 -3.661 12.419 1.00 0.61 C ATOM 1073 CD GLN A 70 11.886 -5.012 11.748 1.00 0.93 C ATOM 1074 OE1 GLN A 70 11.493 -6.050 12.284 1.00 1.14 O ATOM 1075 NE2 GLN A 70 12.478 -5.009 10.563 1.00 1.29 N ATOM 0 H GLN A 70 8.309 -2.335 13.463 1.00 0.31 H new ATOM 0 HA GLN A 70 9.362 -4.044 11.490 1.00 0.33 H new ATOM 0 HB2 GLN A 70 10.316 -2.577 13.655 1.00 0.43 H new ATOM 0 HB3 GLN A 70 10.585 -4.232 14.164 1.00 0.43 H new ATOM 0 HG2 GLN A 70 11.632 -2.888 11.653 1.00 0.61 H new ATOM 0 HG3 GLN A 70 12.565 -3.438 13.031 1.00 0.61 H new ATOM 0 HE21 GLN A 70 12.790 -4.130 10.151 1.00 1.29 H new ATOM 0 HE22 GLN A 70 12.622 -5.886 10.063 1.00 1.29 H new ATOM 1084 N THR A 71 8.191 -6.186 12.063 1.00 0.29 N ATOM 1085 CA THR A 71 7.768 -7.555 12.327 1.00 0.33 C ATOM 1086 C THR A 71 7.796 -8.385 11.043 1.00 0.30 C ATOM 1087 O THR A 71 6.796 -8.477 10.326 1.00 0.38 O ATOM 1088 CB THR A 71 6.356 -7.598 12.949 1.00 0.43 C ATOM 1089 OG1 THR A 71 6.281 -6.698 14.067 1.00 0.52 O ATOM 1090 CG2 THR A 71 6.002 -9.007 13.406 1.00 0.58 C ATOM 0 H THR A 71 8.013 -5.868 11.110 1.00 0.29 H new ATOM 0 HA THR A 71 8.470 -7.982 13.043 1.00 0.33 H new ATOM 0 HB THR A 71 5.642 -7.291 12.185 1.00 0.43 H new ATOM 0 HG1 THR A 71 5.381 -6.731 14.454 1.00 0.52 H new ATOM 0 HG21 THR A 71 5.002 -9.008 13.840 1.00 0.58 H new ATOM 0 HG22 THR A 71 6.028 -9.684 12.552 1.00 0.58 H new ATOM 0 HG23 THR A 71 6.723 -9.339 14.154 1.00 0.58 H new ATOM 1098 N PRO A 72 8.959 -8.988 10.728 1.00 0.30 N ATOM 1099 CA PRO A 72 9.122 -9.813 9.529 1.00 0.33 C ATOM 1100 C PRO A 72 8.125 -10.965 9.498 1.00 0.31 C ATOM 1101 O PRO A 72 8.164 -11.852 10.357 1.00 0.44 O ATOM 1102 CB PRO A 72 10.557 -10.349 9.633 1.00 0.44 C ATOM 1103 CG PRO A 72 10.968 -10.120 11.048 1.00 0.50 C ATOM 1104 CD PRO A 72 10.202 -8.917 11.512 1.00 0.41 C ATOM 0 HA PRO A 72 8.944 -9.243 8.617 1.00 0.33 H new ATOM 0 HB2 PRO A 72 10.599 -11.408 9.379 1.00 0.44 H new ATOM 0 HB3 PRO A 72 11.221 -9.829 8.943 1.00 0.44 H new ATOM 0 HG2 PRO A 72 10.741 -10.989 11.666 1.00 0.50 H new ATOM 0 HG3 PRO A 72 12.042 -9.950 11.120 1.00 0.50 H new ATOM 0 HD2 PRO A 72 10.005 -8.953 12.583 1.00 0.41 H new ATOM 0 HD3 PRO A 72 10.748 -7.993 11.319 1.00 0.41 H new ATOM 1112 N ASN A 73 7.225 -10.938 8.521 1.00 0.28 N ATOM 1113 CA ASN A 73 6.218 -11.981 8.375 1.00 0.31 C ATOM 1114 C ASN A 73 5.749 -12.079 6.924 1.00 0.28 C ATOM 1115 O ASN A 73 5.852 -11.116 6.159 1.00 0.31 O ATOM 1116 CB ASN A 73 5.028 -11.716 9.307 1.00 0.38 C ATOM 1117 CG ASN A 73 4.097 -12.914 9.425 1.00 0.72 C ATOM 1118 OD1 ASN A 73 4.438 -14.027 9.023 1.00 1.01 O ATOM 1119 ND2 ASN A 73 2.921 -12.701 9.993 1.00 1.26 N ATOM 0 H ASN A 73 7.173 -10.202 7.817 1.00 0.28 H new ATOM 0 HA ASN A 73 6.670 -12.933 8.654 1.00 0.31 H new ATOM 0 HB2 ASN A 73 5.399 -11.450 10.297 1.00 0.38 H new ATOM 0 HB3 ASN A 73 4.466 -10.859 8.937 1.00 0.38 H new ATOM 0 HD21 ASN A 73 2.264 -13.472 10.110 1.00 1.26 H new ATOM 0 HD22 ASN A 73 2.672 -11.766 10.314 1.00 1.26 H new ATOM 1126 N GLU A 74 5.225 -13.242 6.560 1.00 0.28 N ATOM 1127 CA GLU A 74 4.752 -13.500 5.199 1.00 0.30 C ATOM 1128 C GLU A 74 3.709 -12.471 4.749 1.00 0.28 C ATOM 1129 O GLU A 74 3.585 -12.185 3.556 1.00 0.31 O ATOM 1130 CB GLU A 74 4.164 -14.912 5.108 1.00 0.37 C ATOM 1131 CG GLU A 74 5.094 -15.998 5.628 1.00 0.45 C ATOM 1132 CD GLU A 74 4.406 -17.341 5.759 1.00 0.56 C ATOM 1133 OE1 GLU A 74 3.444 -17.446 6.545 1.00 0.66 O ATOM 1134 OE2 GLU A 74 4.822 -18.295 5.073 1.00 0.79 O ATOM 0 H GLU A 74 5.114 -14.033 7.195 1.00 0.28 H new ATOM 0 HA GLU A 74 5.610 -13.414 4.532 1.00 0.30 H new ATOM 0 HB2 GLU A 74 3.232 -14.944 5.672 1.00 0.37 H new ATOM 0 HB3 GLU A 74 3.916 -15.126 4.068 1.00 0.37 H new ATOM 0 HG2 GLU A 74 5.946 -16.095 4.955 1.00 0.45 H new ATOM 0 HG3 GLU A 74 5.488 -15.699 6.600 1.00 0.45 H new ATOM 1141 N GLU A 75 2.979 -11.904 5.707 1.00 0.28 N ATOM 1142 CA GLU A 75 1.938 -10.913 5.409 1.00 0.30 C ATOM 1143 C GLU A 75 2.506 -9.652 4.730 1.00 0.34 C ATOM 1144 O GLU A 75 1.742 -8.784 4.306 1.00 0.60 O ATOM 1145 CB GLU A 75 1.192 -10.501 6.691 1.00 0.37 C ATOM 1146 CG GLU A 75 0.985 -11.626 7.700 1.00 0.49 C ATOM 1147 CD GLU A 75 0.427 -12.896 7.085 1.00 0.53 C ATOM 1148 OE1 GLU A 75 -0.736 -12.888 6.628 1.00 1.26 O ATOM 1149 OE2 GLU A 75 1.150 -13.913 7.062 1.00 1.21 O ATOM 0 H GLU A 75 3.087 -12.112 6.700 1.00 0.28 H new ATOM 0 HA GLU A 75 1.247 -11.392 4.716 1.00 0.30 H new ATOM 0 HB2 GLU A 75 1.746 -9.696 7.174 1.00 0.37 H new ATOM 0 HB3 GLU A 75 0.218 -10.097 6.414 1.00 0.37 H new ATOM 0 HG2 GLU A 75 1.937 -11.852 8.180 1.00 0.49 H new ATOM 0 HG3 GLU A 75 0.307 -11.282 8.482 1.00 0.49 H new ATOM 1156 N CYS A 76 3.834 -9.538 4.639 1.00 0.25 N ATOM 1157 CA CYS A 76 4.460 -8.370 4.019 1.00 0.28 C ATOM 1158 C CYS A 76 4.550 -8.500 2.489 1.00 0.28 C ATOM 1159 O CYS A 76 4.884 -7.532 1.803 1.00 0.36 O ATOM 1160 CB CYS A 76 5.856 -8.151 4.615 1.00 0.31 C ATOM 1161 SG CYS A 76 6.529 -6.493 4.357 1.00 0.49 S ATOM 0 H CYS A 76 4.492 -10.236 4.985 1.00 0.25 H new ATOM 0 HA CYS A 76 3.829 -7.507 4.232 1.00 0.28 H new ATOM 0 HB2 CYS A 76 5.816 -8.350 5.686 1.00 0.31 H new ATOM 0 HB3 CYS A 76 6.541 -8.879 4.181 1.00 0.31 H new ATOM 0 HG CYS A 76 5.966 -5.663 5.184 1.00 0.49 H new ATOM 1167 N LEU A 77 4.245 -9.681 1.949 1.00 0.27 N ATOM 1168 CA LEU A 77 4.315 -9.894 0.504 1.00 0.31 C ATOM 1169 C LEU A 77 2.963 -9.629 -0.157 1.00 0.25 C ATOM 1170 O LEU A 77 1.940 -10.194 0.244 1.00 0.31 O ATOM 1171 CB LEU A 77 4.793 -11.317 0.194 1.00 0.41 C ATOM 1172 CG LEU A 77 6.313 -11.525 0.246 1.00 0.54 C ATOM 1173 CD1 LEU A 77 6.999 -10.705 -0.835 1.00 0.76 C ATOM 1174 CD2 LEU A 77 6.864 -11.163 1.622 1.00 0.58 C ATOM 0 H LEU A 77 3.950 -10.497 2.485 1.00 0.27 H new ATOM 0 HA LEU A 77 5.036 -9.187 0.094 1.00 0.31 H new ATOM 0 HB2 LEU A 77 4.325 -12.002 0.901 1.00 0.41 H new ATOM 0 HB3 LEU A 77 4.439 -11.593 -0.799 1.00 0.41 H new ATOM 0 HG LEU A 77 6.519 -12.580 0.064 1.00 0.54 H new ATOM 0 HD11 LEU A 77 8.076 -10.864 -0.784 1.00 0.76 H new ATOM 0 HD12 LEU A 77 6.633 -11.014 -1.814 1.00 0.76 H new ATOM 0 HD13 LEU A 77 6.781 -9.648 -0.683 1.00 0.76 H new ATOM 0 HD21 LEU A 77 7.943 -11.319 1.634 1.00 0.58 H new ATOM 0 HD22 LEU A 77 6.646 -10.117 1.838 1.00 0.58 H new ATOM 0 HD23 LEU A 77 6.398 -11.794 2.378 1.00 0.58 H new ATOM 1186 N PHE A 78 2.963 -8.780 -1.182 1.00 0.21 N ATOM 1187 CA PHE A 78 1.736 -8.431 -1.890 1.00 0.21 C ATOM 1188 C PHE A 78 1.916 -8.538 -3.406 1.00 0.19 C ATOM 1189 O PHE A 78 3.018 -8.792 -3.898 1.00 0.23 O ATOM 1190 CB PHE A 78 1.304 -7.007 -1.527 1.00 0.26 C ATOM 1191 CG PHE A 78 1.146 -6.770 -0.050 1.00 0.29 C ATOM 1192 CD1 PHE A 78 -0.052 -7.053 0.588 1.00 0.46 C ATOM 1193 CD2 PHE A 78 2.193 -6.255 0.699 1.00 0.32 C ATOM 1194 CE1 PHE A 78 -0.201 -6.828 1.942 1.00 0.53 C ATOM 1195 CE2 PHE A 78 2.049 -6.030 2.055 1.00 0.38 C ATOM 1196 CZ PHE A 78 0.851 -6.315 2.677 1.00 0.45 C ATOM 0 H PHE A 78 3.800 -8.321 -1.540 1.00 0.21 H new ATOM 0 HA PHE A 78 0.965 -9.138 -1.584 1.00 0.21 H new ATOM 0 HB2 PHE A 78 2.039 -6.305 -1.920 1.00 0.26 H new ATOM 0 HB3 PHE A 78 0.358 -6.789 -2.022 1.00 0.26 H new ATOM 0 HD1 PHE A 78 -0.878 -7.454 0.019 1.00 0.46 H new ATOM 0 HD2 PHE A 78 3.132 -6.027 0.217 1.00 0.32 H new ATOM 0 HE1 PHE A 78 -1.140 -7.053 2.427 1.00 0.53 H new ATOM 0 HE2 PHE A 78 2.874 -5.631 2.627 1.00 0.38 H new ATOM 0 HZ PHE A 78 0.735 -6.138 3.736 1.00 0.45 H new ATOM 1206 N LEU A 79 0.817 -8.354 -4.131 1.00 0.21 N ATOM 1207 CA LEU A 79 0.816 -8.404 -5.590 1.00 0.21 C ATOM 1208 C LEU A 79 0.524 -7.006 -6.142 1.00 0.20 C ATOM 1209 O LEU A 79 -0.522 -6.428 -5.833 1.00 0.21 O ATOM 1210 CB LEU A 79 -0.251 -9.402 -6.070 1.00 0.24 C ATOM 1211 CG LEU A 79 -0.073 -9.955 -7.488 1.00 0.30 C ATOM 1212 CD1 LEU A 79 -0.036 -8.831 -8.510 1.00 0.34 C ATOM 1213 CD2 LEU A 79 1.183 -10.810 -7.575 1.00 0.35 C ATOM 0 H LEU A 79 -0.099 -8.166 -3.724 1.00 0.21 H new ATOM 0 HA LEU A 79 1.791 -8.733 -5.950 1.00 0.21 H new ATOM 0 HB2 LEU A 79 -0.272 -10.242 -5.375 1.00 0.24 H new ATOM 0 HB3 LEU A 79 -1.225 -8.916 -6.012 1.00 0.24 H new ATOM 0 HG LEU A 79 -0.932 -10.586 -7.717 1.00 0.30 H new ATOM 0 HD11 LEU A 79 0.091 -9.251 -9.508 1.00 0.34 H new ATOM 0 HD12 LEU A 79 -0.970 -8.270 -8.468 1.00 0.34 H new ATOM 0 HD13 LEU A 79 0.797 -8.165 -8.288 1.00 0.34 H new ATOM 0 HD21 LEU A 79 1.292 -11.194 -8.589 1.00 0.35 H new ATOM 0 HD22 LEU A 79 2.053 -10.205 -7.320 1.00 0.35 H new ATOM 0 HD23 LEU A 79 1.104 -11.644 -6.878 1.00 0.35 H new ATOM 1225 N GLU A 80 1.446 -6.465 -6.943 1.00 0.21 N ATOM 1226 CA GLU A 80 1.277 -5.131 -7.523 1.00 0.22 C ATOM 1227 C GLU A 80 0.736 -5.238 -8.945 1.00 0.22 C ATOM 1228 O GLU A 80 1.390 -5.798 -9.831 1.00 0.35 O ATOM 1229 CB GLU A 80 2.606 -4.359 -7.524 1.00 0.28 C ATOM 1230 CG GLU A 80 2.508 -2.962 -8.127 1.00 0.33 C ATOM 1231 CD GLU A 80 3.805 -2.174 -8.031 1.00 0.36 C ATOM 1232 OE1 GLU A 80 4.827 -2.618 -8.595 1.00 0.57 O ATOM 1233 OE2 GLU A 80 3.809 -1.094 -7.397 1.00 0.45 O ATOM 0 H GLU A 80 2.316 -6.930 -7.204 1.00 0.21 H new ATOM 0 HA GLU A 80 0.562 -4.584 -6.909 1.00 0.22 H new ATOM 0 HB2 GLU A 80 2.968 -4.277 -6.499 1.00 0.28 H new ATOM 0 HB3 GLU A 80 3.348 -4.933 -8.079 1.00 0.28 H new ATOM 0 HG2 GLU A 80 2.218 -3.045 -9.174 1.00 0.33 H new ATOM 0 HG3 GLU A 80 1.717 -2.410 -7.620 1.00 0.33 H new ATOM 1240 N ARG A 81 -0.464 -4.717 -9.156 1.00 0.20 N ATOM 1241 CA ARG A 81 -1.092 -4.756 -10.465 1.00 0.23 C ATOM 1242 C ARG A 81 -1.250 -3.347 -11.033 1.00 0.20 C ATOM 1243 O ARG A 81 -2.180 -2.623 -10.668 1.00 0.24 O ATOM 1244 CB ARG A 81 -2.453 -5.443 -10.365 1.00 0.29 C ATOM 1245 CG ARG A 81 -3.094 -5.737 -11.710 1.00 0.39 C ATOM 1246 CD ARG A 81 -4.445 -6.409 -11.539 1.00 0.50 C ATOM 1247 NE ARG A 81 -4.907 -7.047 -12.774 1.00 0.69 N ATOM 1248 CZ ARG A 81 -5.933 -7.904 -12.840 1.00 0.81 C ATOM 1249 NH1 ARG A 81 -6.626 -8.212 -11.744 1.00 1.12 N ATOM 1250 NH2 ARG A 81 -6.268 -8.449 -14.006 1.00 1.02 N ATOM 0 H ARG A 81 -1.022 -4.261 -8.434 1.00 0.20 H new ATOM 0 HA ARG A 81 -0.453 -5.324 -11.141 1.00 0.23 H new ATOM 0 HB2 ARG A 81 -2.338 -6.378 -9.816 1.00 0.29 H new ATOM 0 HB3 ARG A 81 -3.125 -4.813 -9.783 1.00 0.29 H new ATOM 0 HG2 ARG A 81 -3.215 -4.809 -12.269 1.00 0.39 H new ATOM 0 HG3 ARG A 81 -2.437 -6.379 -12.296 1.00 0.39 H new ATOM 0 HD2 ARG A 81 -4.379 -7.157 -10.749 1.00 0.50 H new ATOM 0 HD3 ARG A 81 -5.179 -5.669 -11.218 1.00 0.50 H new ATOM 0 HE ARG A 81 -4.415 -6.824 -13.639 1.00 0.69 H new ATOM 0 HH11 ARG A 81 -6.376 -7.794 -10.848 1.00 1.12 H new ATOM 0 HH12 ARG A 81 -7.407 -8.866 -11.801 1.00 1.12 H new ATOM 0 HH21 ARG A 81 -5.743 -8.214 -14.848 1.00 1.02 H new ATOM 0 HH22 ARG A 81 -7.050 -9.102 -14.058 1.00 1.02 H new ATOM 1264 N LEU A 82 -0.340 -2.963 -11.922 1.00 0.22 N ATOM 1265 CA LEU A 82 -0.368 -1.644 -12.546 1.00 0.24 C ATOM 1266 C LEU A 82 -0.980 -1.742 -13.940 1.00 0.27 C ATOM 1267 O LEU A 82 -0.402 -2.355 -14.833 1.00 0.40 O ATOM 1268 CB LEU A 82 1.053 -1.061 -12.621 1.00 0.32 C ATOM 1269 CG LEU A 82 1.159 0.352 -13.203 1.00 0.36 C ATOM 1270 CD1 LEU A 82 0.380 1.346 -12.352 1.00 0.43 C ATOM 1271 CD2 LEU A 82 2.619 0.767 -13.312 1.00 0.54 C ATOM 0 H LEU A 82 0.433 -3.553 -12.229 1.00 0.22 H new ATOM 0 HA LEU A 82 -0.982 -0.977 -11.940 1.00 0.24 H new ATOM 0 HB2 LEU A 82 1.477 -1.054 -11.617 1.00 0.32 H new ATOM 0 HB3 LEU A 82 1.669 -1.729 -13.222 1.00 0.32 H new ATOM 0 HG LEU A 82 0.723 0.349 -14.202 1.00 0.36 H new ATOM 0 HD11 LEU A 82 0.469 2.343 -12.784 1.00 0.43 H new ATOM 0 HD12 LEU A 82 -0.670 1.056 -12.323 1.00 0.43 H new ATOM 0 HD13 LEU A 82 0.783 1.352 -11.339 1.00 0.43 H new ATOM 0 HD21 LEU A 82 2.681 1.773 -13.727 1.00 0.54 H new ATOM 0 HD22 LEU A 82 3.076 0.754 -12.322 1.00 0.54 H new ATOM 0 HD23 LEU A 82 3.147 0.072 -13.965 1.00 0.54 H new ATOM 1283 N GLU A 83 -2.146 -1.130 -14.126 1.00 0.28 N ATOM 1284 CA GLU A 83 -2.830 -1.183 -15.418 1.00 0.36 C ATOM 1285 C GLU A 83 -2.419 -0.030 -16.339 1.00 0.44 C ATOM 1286 O GLU A 83 -3.050 0.187 -17.372 1.00 1.00 O ATOM 1287 CB GLU A 83 -4.348 -1.164 -15.222 1.00 0.42 C ATOM 1288 CG GLU A 83 -5.113 -1.807 -16.373 1.00 0.67 C ATOM 1289 CD GLU A 83 -6.477 -1.184 -16.592 1.00 0.91 C ATOM 1290 OE1 GLU A 83 -7.357 -1.342 -15.723 1.00 1.19 O ATOM 1291 OE2 GLU A 83 -6.679 -0.538 -17.643 1.00 1.24 O ATOM 0 H GLU A 83 -2.635 -0.596 -13.407 1.00 0.28 H new ATOM 0 HA GLU A 83 -2.532 -2.116 -15.896 1.00 0.36 H new ATOM 0 HB2 GLU A 83 -4.594 -1.684 -14.296 1.00 0.42 H new ATOM 0 HB3 GLU A 83 -4.679 -0.132 -15.106 1.00 0.42 H new ATOM 0 HG2 GLU A 83 -4.527 -1.718 -17.288 1.00 0.67 H new ATOM 0 HG3 GLU A 83 -5.233 -2.872 -16.174 1.00 0.67 H new ATOM 1298 N GLU A 84 -1.395 0.736 -15.953 1.00 0.37 N ATOM 1299 CA GLU A 84 -0.905 1.855 -16.770 1.00 0.38 C ATOM 1300 C GLU A 84 -1.846 3.065 -16.729 1.00 0.31 C ATOM 1301 O GLU A 84 -1.384 4.208 -16.748 1.00 0.32 O ATOM 1302 CB GLU A 84 -0.691 1.409 -18.221 1.00 0.50 C ATOM 1303 CG GLU A 84 0.020 2.442 -19.079 1.00 0.90 C ATOM 1304 CD GLU A 84 0.125 2.023 -20.529 1.00 0.94 C ATOM 1305 OE1 GLU A 84 0.895 1.090 -20.829 1.00 1.23 O ATOM 1306 OE2 GLU A 84 -0.560 2.627 -21.382 1.00 1.14 O ATOM 0 H GLU A 84 -0.887 0.603 -15.079 1.00 0.37 H new ATOM 0 HA GLU A 84 0.048 2.166 -16.341 1.00 0.38 H new ATOM 0 HB2 GLU A 84 -0.113 0.485 -18.226 1.00 0.50 H new ATOM 0 HB3 GLU A 84 -1.659 1.182 -18.668 1.00 0.50 H new ATOM 0 HG2 GLU A 84 -0.514 3.390 -19.017 1.00 0.90 H new ATOM 0 HG3 GLU A 84 1.020 2.613 -18.681 1.00 0.90 H new ATOM 1313 N ASN A 85 -3.156 2.823 -16.683 1.00 0.34 N ATOM 1314 CA ASN A 85 -4.148 3.902 -16.646 1.00 0.37 C ATOM 1315 C ASN A 85 -4.042 4.733 -15.360 1.00 0.29 C ATOM 1316 O ASN A 85 -4.996 4.828 -14.591 1.00 0.33 O ATOM 1317 CB ASN A 85 -5.561 3.325 -16.778 1.00 0.49 C ATOM 1318 CG ASN A 85 -6.625 4.405 -16.898 1.00 0.58 C ATOM 1319 OD1 ASN A 85 -6.386 5.468 -17.473 1.00 0.64 O ATOM 1320 ND2 ASN A 85 -7.808 4.140 -16.363 1.00 0.79 N ATOM 0 H ASN A 85 -3.558 1.886 -16.670 1.00 0.34 H new ATOM 0 HA ASN A 85 -3.943 4.564 -17.488 1.00 0.37 H new ATOM 0 HB2 ASN A 85 -5.605 2.678 -17.654 1.00 0.49 H new ATOM 0 HB3 ASN A 85 -5.777 2.702 -15.910 1.00 0.49 H new ATOM 0 HD21 ASN A 85 -8.559 4.828 -16.419 1.00 0.79 H new ATOM 0 HD22 ASN A 85 -7.968 3.248 -15.895 1.00 0.79 H new ATOM 1327 N HIS A 86 -2.870 5.328 -15.137 1.00 0.28 N ATOM 1328 CA HIS A 86 -2.608 6.169 -13.966 1.00 0.33 C ATOM 1329 C HIS A 86 -3.205 5.583 -12.680 1.00 0.30 C ATOM 1330 O HIS A 86 -3.670 6.321 -11.809 1.00 0.38 O ATOM 1331 CB HIS A 86 -3.135 7.594 -14.204 1.00 0.45 C ATOM 1332 CG HIS A 86 -4.601 7.663 -14.506 1.00 0.50 C ATOM 1333 ND1 HIS A 86 -5.678 7.682 -13.683 1.00 0.69 N flip ATOM 1334 CD2 HIS A 86 -5.103 7.730 -15.787 1.00 0.58 C flip ATOM 1335 CE1 HIS A 86 -6.797 7.761 -14.477 1.00 0.78 C flip ATOM 1336 NE2 HIS A 86 -6.420 7.789 -15.742 1.00 0.71 N flip ATOM 0 H HIS A 86 -2.071 5.241 -15.766 1.00 0.28 H new ATOM 0 HA HIS A 86 -1.527 6.204 -13.829 1.00 0.33 H new ATOM 0 HB2 HIS A 86 -2.928 8.198 -13.321 1.00 0.45 H new ATOM 0 HB3 HIS A 86 -2.583 8.040 -15.032 1.00 0.45 H new ATOM 0 HD2 HIS A 86 -4.510 7.734 -16.689 1.00 0.58 H new ATOM 0 HE1 HIS A 86 -7.817 7.795 -14.124 1.00 0.78 H new ATOM 0 HE2 HIS A 86 -7.042 7.847 -16.548 1.00 0.71 H new ATOM 1345 N TYR A 87 -3.182 4.256 -12.556 1.00 0.26 N ATOM 1346 CA TYR A 87 -3.706 3.591 -11.366 1.00 0.34 C ATOM 1347 C TYR A 87 -3.262 2.131 -11.323 1.00 0.24 C ATOM 1348 O TYR A 87 -2.949 1.533 -12.358 1.00 0.23 O ATOM 1349 CB TYR A 87 -5.241 3.708 -11.294 1.00 0.53 C ATOM 1350 CG TYR A 87 -6.008 2.532 -11.872 1.00 0.48 C ATOM 1351 CD1 TYR A 87 -6.245 1.392 -11.111 1.00 0.51 C ATOM 1352 CD2 TYR A 87 -6.500 2.567 -13.171 1.00 0.83 C ATOM 1353 CE1 TYR A 87 -6.949 0.322 -11.629 1.00 0.75 C ATOM 1354 CE2 TYR A 87 -7.206 1.501 -13.694 1.00 1.03 C ATOM 1355 CZ TYR A 87 -7.427 0.381 -12.919 1.00 0.95 C ATOM 1356 OH TYR A 87 -8.125 -0.685 -13.441 1.00 1.27 O ATOM 0 H TYR A 87 -2.807 3.623 -13.263 1.00 0.26 H new ATOM 0 HA TYR A 87 -3.296 4.094 -10.490 1.00 0.34 H new ATOM 0 HB2 TYR A 87 -5.531 3.833 -10.251 1.00 0.53 H new ATOM 0 HB3 TYR A 87 -5.545 4.613 -11.820 1.00 0.53 H new ATOM 0 HD1 TYR A 87 -5.873 1.342 -10.098 1.00 0.51 H new ATOM 0 HD2 TYR A 87 -6.328 3.441 -13.781 1.00 0.83 H new ATOM 0 HE1 TYR A 87 -7.124 -0.556 -11.025 1.00 0.75 H new ATOM 0 HE2 TYR A 87 -7.583 1.544 -14.705 1.00 1.03 H new ATOM 0 HH TYR A 87 -7.656 -1.028 -14.230 1.00 1.27 H new ATOM 1366 N ASN A 88 -3.222 1.574 -10.119 1.00 0.24 N ATOM 1367 CA ASN A 88 -2.816 0.189 -9.920 1.00 0.20 C ATOM 1368 C ASN A 88 -3.617 -0.443 -8.782 1.00 0.20 C ATOM 1369 O ASN A 88 -4.369 0.245 -8.086 1.00 0.24 O ATOM 1370 CB ASN A 88 -1.313 0.117 -9.615 1.00 0.21 C ATOM 1371 CG ASN A 88 -1.012 0.107 -8.125 1.00 0.20 C ATOM 1372 OD1 ASN A 88 -1.171 1.252 -7.477 1.00 0.24 O flip ATOM 1373 ND2 ASN A 88 -0.665 -0.925 -7.554 1.00 0.24 N flip ATOM 0 H ASN A 88 -3.468 2.065 -9.260 1.00 0.24 H new ATOM 0 HA ASN A 88 -3.016 -0.367 -10.836 1.00 0.20 H new ATOM 0 HB2 ASN A 88 -0.898 -0.782 -10.071 1.00 0.21 H new ATOM 0 HB3 ASN A 88 -0.813 0.969 -10.076 1.00 0.21 H new ATOM 0 HD21 ASN A 88 -0.553 -1.789 -8.085 1.00 0.24 H new ATOM 0 HD22 ASN A 88 -0.490 -0.918 -6.549 1.00 0.24 H new ATOM 1380 N THR A 89 -3.447 -1.746 -8.599 1.00 0.23 N ATOM 1381 CA THR A 89 -4.142 -2.474 -7.548 1.00 0.26 C ATOM 1382 C THR A 89 -3.170 -3.357 -6.766 1.00 0.21 C ATOM 1383 O THR A 89 -2.270 -3.971 -7.348 1.00 0.25 O ATOM 1384 CB THR A 89 -5.291 -3.337 -8.118 1.00 0.34 C ATOM 1385 OG1 THR A 89 -5.024 -3.703 -9.484 1.00 0.57 O ATOM 1386 CG2 THR A 89 -6.614 -2.591 -8.040 1.00 0.72 C ATOM 0 H THR A 89 -2.829 -2.323 -9.170 1.00 0.23 H new ATOM 0 HA THR A 89 -4.573 -1.734 -6.874 1.00 0.26 H new ATOM 0 HB THR A 89 -5.358 -4.242 -7.515 1.00 0.34 H new ATOM 0 HG1 THR A 89 -5.861 -3.961 -9.923 1.00 0.57 H new ATOM 0 HG21 THR A 89 -7.409 -3.216 -8.446 1.00 0.72 H new ATOM 0 HG22 THR A 89 -6.836 -2.352 -7.000 1.00 0.72 H new ATOM 0 HG23 THR A 89 -6.547 -1.669 -8.618 1.00 0.72 H new ATOM 1394 N TYR A 90 -3.355 -3.407 -5.450 1.00 0.21 N ATOM 1395 CA TYR A 90 -2.505 -4.211 -4.576 1.00 0.21 C ATOM 1396 C TYR A 90 -3.336 -5.263 -3.844 1.00 0.23 C ATOM 1397 O TYR A 90 -4.379 -4.942 -3.266 1.00 0.28 O ATOM 1398 CB TYR A 90 -1.794 -3.325 -3.546 1.00 0.27 C ATOM 1399 CG TYR A 90 -0.691 -2.458 -4.109 1.00 0.25 C ATOM 1400 CD1 TYR A 90 0.510 -3.011 -4.533 1.00 0.26 C ATOM 1401 CD2 TYR A 90 -0.842 -1.079 -4.192 1.00 0.29 C ATOM 1402 CE1 TYR A 90 1.529 -2.216 -5.021 1.00 0.29 C ATOM 1403 CE2 TYR A 90 0.170 -0.277 -4.685 1.00 0.31 C ATOM 1404 CZ TYR A 90 1.355 -0.849 -5.097 1.00 0.31 C ATOM 1405 OH TYR A 90 2.370 -0.048 -5.575 1.00 0.36 O ATOM 0 H TYR A 90 -4.091 -2.897 -4.962 1.00 0.21 H new ATOM 0 HA TYR A 90 -1.759 -4.706 -5.198 1.00 0.21 H new ATOM 0 HB2 TYR A 90 -2.534 -2.683 -3.068 1.00 0.27 H new ATOM 0 HB3 TYR A 90 -1.374 -3.962 -2.767 1.00 0.27 H new ATOM 0 HD1 TYR A 90 0.650 -4.081 -4.480 1.00 0.26 H new ATOM 0 HD2 TYR A 90 -1.766 -0.626 -3.866 1.00 0.29 H new ATOM 0 HE1 TYR A 90 2.458 -2.663 -5.342 1.00 0.29 H new ATOM 0 HE2 TYR A 90 0.033 0.792 -4.747 1.00 0.31 H new ATOM 0 HH TYR A 90 3.063 -0.607 -5.984 1.00 0.36 H new ATOM 1415 N ILE A 91 -2.876 -6.511 -3.872 1.00 0.22 N ATOM 1416 CA ILE A 91 -3.578 -7.602 -3.195 1.00 0.26 C ATOM 1417 C ILE A 91 -2.606 -8.472 -2.400 1.00 0.27 C ATOM 1418 O ILE A 91 -1.448 -8.646 -2.796 1.00 0.27 O ATOM 1419 CB ILE A 91 -4.367 -8.494 -4.186 1.00 0.28 C ATOM 1420 CG1 ILE A 91 -3.441 -9.045 -5.277 1.00 0.26 C ATOM 1421 CG2 ILE A 91 -5.520 -7.715 -4.806 1.00 0.33 C ATOM 1422 CD1 ILE A 91 -4.125 -9.990 -6.244 1.00 0.31 C ATOM 0 H ILE A 91 -2.023 -6.793 -4.354 1.00 0.22 H new ATOM 0 HA ILE A 91 -4.288 -7.134 -2.514 1.00 0.26 H new ATOM 0 HB ILE A 91 -4.780 -9.337 -3.631 1.00 0.28 H new ATOM 0 HG12 ILE A 91 -3.019 -8.211 -5.837 1.00 0.26 H new ATOM 0 HG13 ILE A 91 -2.608 -9.565 -4.804 1.00 0.26 H new ATOM 0 HG21 ILE A 91 -6.062 -8.358 -5.499 1.00 0.33 H new ATOM 0 HG22 ILE A 91 -6.195 -7.378 -4.020 1.00 0.33 H new ATOM 0 HG23 ILE A 91 -5.128 -6.851 -5.343 1.00 0.33 H new ATOM 0 HD11 ILE A 91 -3.405 -10.336 -6.985 1.00 0.31 H new ATOM 0 HD12 ILE A 91 -4.523 -10.845 -5.697 1.00 0.31 H new ATOM 0 HD13 ILE A 91 -4.940 -9.469 -6.746 1.00 0.31 H new ATOM 1434 N SER A 92 -3.077 -9.000 -1.273 1.00 0.33 N ATOM 1435 CA SER A 92 -2.261 -9.853 -0.414 1.00 0.37 C ATOM 1436 C SER A 92 -2.045 -11.225 -1.061 1.00 0.31 C ATOM 1437 O SER A 92 -2.966 -12.038 -1.133 1.00 0.44 O ATOM 1438 CB SER A 92 -2.937 -10.010 0.953 1.00 0.50 C ATOM 1439 OG SER A 92 -3.507 -8.782 1.383 1.00 0.82 O ATOM 0 H SER A 92 -4.027 -8.850 -0.932 1.00 0.33 H new ATOM 0 HA SER A 92 -1.286 -9.384 -0.279 1.00 0.37 H new ATOM 0 HB2 SER A 92 -3.712 -10.774 0.894 1.00 0.50 H new ATOM 0 HB3 SER A 92 -2.207 -10.353 1.686 1.00 0.50 H new ATOM 0 HG SER A 92 -3.359 -8.672 2.346 1.00 0.82 H new ATOM 1445 N LYS A 93 -0.819 -11.479 -1.511 1.00 0.31 N ATOM 1446 CA LYS A 93 -0.479 -12.740 -2.168 1.00 0.31 C ATOM 1447 C LYS A 93 -0.812 -13.941 -1.280 1.00 0.29 C ATOM 1448 O LYS A 93 -1.587 -14.813 -1.670 1.00 0.35 O ATOM 1449 CB LYS A 93 1.008 -12.758 -2.553 1.00 0.42 C ATOM 1450 CG LYS A 93 1.363 -13.805 -3.600 1.00 0.55 C ATOM 1451 CD LYS A 93 1.493 -15.198 -2.994 1.00 0.74 C ATOM 1452 CE LYS A 93 2.796 -15.366 -2.223 1.00 0.80 C ATOM 1453 NZ LYS A 93 3.879 -15.930 -3.071 1.00 0.80 N ATOM 0 H LYS A 93 -0.040 -10.825 -1.432 1.00 0.31 H new ATOM 0 HA LYS A 93 -1.081 -12.817 -3.073 1.00 0.31 H new ATOM 0 HB2 LYS A 93 1.288 -11.774 -2.929 1.00 0.42 H new ATOM 0 HB3 LYS A 93 1.603 -12.938 -1.657 1.00 0.42 H new ATOM 0 HG2 LYS A 93 0.597 -13.817 -4.375 1.00 0.55 H new ATOM 0 HG3 LYS A 93 2.301 -13.531 -4.083 1.00 0.55 H new ATOM 0 HD2 LYS A 93 0.651 -15.383 -2.327 1.00 0.74 H new ATOM 0 HD3 LYS A 93 1.442 -15.944 -3.787 1.00 0.74 H new ATOM 0 HE2 LYS A 93 3.111 -14.400 -1.829 1.00 0.80 H new ATOM 0 HE3 LYS A 93 2.629 -16.020 -1.367 1.00 0.80 H new ATOM 0 HZ1 LYS A 93 4.732 -16.075 -2.494 1.00 0.80 H new ATOM 0 HZ2 LYS A 93 3.571 -16.841 -3.468 1.00 0.80 H new ATOM 0 HZ3 LYS A 93 4.093 -15.270 -3.845 1.00 0.80 H new ATOM 1467 N LYS A 94 -0.235 -13.979 -0.082 1.00 0.28 N ATOM 1468 CA LYS A 94 -0.471 -15.089 0.840 1.00 0.31 C ATOM 1469 C LYS A 94 -1.965 -15.306 1.096 1.00 0.31 C ATOM 1470 O LYS A 94 -2.400 -16.425 1.369 1.00 0.56 O ATOM 1471 CB LYS A 94 0.254 -14.857 2.169 1.00 0.36 C ATOM 1472 CG LYS A 94 0.047 -15.978 3.175 1.00 0.55 C ATOM 1473 CD LYS A 94 0.814 -15.727 4.462 1.00 0.55 C ATOM 1474 CE LYS A 94 0.430 -16.725 5.540 1.00 0.63 C ATOM 1475 NZ LYS A 94 1.124 -16.450 6.824 1.00 0.69 N ATOM 0 H LYS A 94 0.395 -13.260 0.273 1.00 0.28 H new ATOM 0 HA LYS A 94 -0.073 -15.987 0.368 1.00 0.31 H new ATOM 0 HB2 LYS A 94 1.321 -14.744 1.977 1.00 0.36 H new ATOM 0 HB3 LYS A 94 -0.093 -13.920 2.604 1.00 0.36 H new ATOM 0 HG2 LYS A 94 -1.016 -16.075 3.398 1.00 0.55 H new ATOM 0 HG3 LYS A 94 0.369 -16.923 2.738 1.00 0.55 H new ATOM 0 HD2 LYS A 94 1.885 -15.793 4.268 1.00 0.55 H new ATOM 0 HD3 LYS A 94 0.616 -14.715 4.814 1.00 0.55 H new ATOM 0 HE2 LYS A 94 -0.648 -16.693 5.696 1.00 0.63 H new ATOM 0 HE3 LYS A 94 0.674 -17.733 5.205 1.00 0.63 H new ATOM 0 HZ1 LYS A 94 0.669 -16.990 7.587 1.00 0.69 H new ATOM 0 HZ2 LYS A 94 2.122 -16.733 6.747 1.00 0.69 H new ATOM 0 HZ3 LYS A 94 1.068 -15.434 7.038 1.00 0.69 H new ATOM 1489 N HIS A 95 -2.752 -14.240 0.995 1.00 0.27 N ATOM 1490 CA HIS A 95 -4.186 -14.339 1.231 1.00 0.28 C ATOM 1491 C HIS A 95 -4.959 -14.356 -0.081 1.00 0.27 C ATOM 1492 O HIS A 95 -6.002 -13.721 -0.195 1.00 0.33 O ATOM 1493 CB HIS A 95 -4.665 -13.180 2.113 1.00 0.36 C ATOM 1494 CG HIS A 95 -4.068 -13.192 3.483 1.00 0.41 C ATOM 1495 ND1 HIS A 95 -4.724 -13.686 4.587 1.00 0.64 N ATOM 1496 CD2 HIS A 95 -2.861 -12.767 3.924 1.00 0.46 C ATOM 1497 CE1 HIS A 95 -3.945 -13.566 5.646 1.00 0.65 C ATOM 1498 NE2 HIS A 95 -2.811 -13.013 5.268 1.00 0.50 N ATOM 0 H HIS A 95 -2.424 -13.305 0.753 1.00 0.27 H new ATOM 0 HA HIS A 95 -4.376 -15.279 1.749 1.00 0.28 H new ATOM 0 HB2 HIS A 95 -4.419 -12.236 1.626 1.00 0.36 H new ATOM 0 HB3 HIS A 95 -5.751 -13.222 2.197 1.00 0.36 H new ATOM 0 HD2 HIS A 95 -2.082 -12.317 3.326 1.00 0.46 H new ATOM 0 HE1 HIS A 95 -4.195 -13.870 6.652 1.00 0.65 H new ATOM 0 HE2 HIS A 95 -2.022 -12.802 5.880 1.00 0.50 H new ATOM 1507 N ALA A 96 -4.452 -15.098 -1.063 1.00 0.31 N ATOM 1508 CA ALA A 96 -5.104 -15.199 -2.367 1.00 0.35 C ATOM 1509 C ALA A 96 -6.609 -15.436 -2.219 1.00 0.34 C ATOM 1510 O ALA A 96 -7.411 -14.851 -2.947 1.00 0.41 O ATOM 1511 CB ALA A 96 -4.471 -16.307 -3.194 1.00 0.44 C ATOM 0 H ALA A 96 -3.591 -15.639 -0.981 1.00 0.31 H new ATOM 0 HA ALA A 96 -4.963 -14.251 -2.885 1.00 0.35 H new ATOM 0 HB1 ALA A 96 -4.969 -16.368 -4.162 1.00 0.44 H new ATOM 0 HB2 ALA A 96 -3.413 -16.091 -3.343 1.00 0.44 H new ATOM 0 HB3 ALA A 96 -4.577 -17.257 -2.671 1.00 0.44 H new ATOM 1517 N GLU A 97 -6.988 -16.292 -1.272 1.00 0.34 N ATOM 1518 CA GLU A 97 -8.398 -16.596 -1.027 1.00 0.38 C ATOM 1519 C GLU A 97 -9.151 -15.360 -0.538 1.00 0.37 C ATOM 1520 O GLU A 97 -10.320 -15.160 -0.870 1.00 0.50 O ATOM 1521 CB GLU A 97 -8.535 -17.727 -0.004 1.00 0.46 C ATOM 1522 CG GLU A 97 -8.064 -19.080 -0.517 1.00 0.57 C ATOM 1523 CD GLU A 97 -8.868 -19.567 -1.705 1.00 0.73 C ATOM 1524 OE1 GLU A 97 -8.641 -19.069 -2.828 1.00 0.93 O ATOM 1525 OE2 GLU A 97 -9.727 -20.453 -1.519 1.00 0.97 O ATOM 0 H GLU A 97 -6.339 -16.788 -0.661 1.00 0.34 H new ATOM 0 HA GLU A 97 -8.837 -16.916 -1.972 1.00 0.38 H new ATOM 0 HB2 GLU A 97 -7.964 -17.468 0.888 1.00 0.46 H new ATOM 0 HB3 GLU A 97 -9.579 -17.807 0.298 1.00 0.46 H new ATOM 0 HG2 GLU A 97 -7.013 -19.012 -0.798 1.00 0.57 H new ATOM 0 HG3 GLU A 97 -8.132 -19.813 0.287 1.00 0.57 H new ATOM 1532 N LYS A 98 -8.474 -14.523 0.233 1.00 0.33 N ATOM 1533 CA LYS A 98 -9.080 -13.313 0.773 1.00 0.38 C ATOM 1534 C LYS A 98 -8.343 -12.080 0.249 1.00 0.37 C ATOM 1535 O LYS A 98 -8.057 -11.140 0.998 1.00 0.47 O ATOM 1536 CB LYS A 98 -9.051 -13.355 2.305 1.00 0.48 C ATOM 1537 CG LYS A 98 -9.612 -14.648 2.886 1.00 0.60 C ATOM 1538 CD LYS A 98 -9.450 -14.713 4.399 1.00 0.70 C ATOM 1539 CE LYS A 98 -10.538 -13.933 5.115 1.00 0.78 C ATOM 1540 NZ LYS A 98 -10.451 -14.085 6.591 1.00 0.89 N ATOM 0 H LYS A 98 -7.499 -14.660 0.501 1.00 0.33 H new ATOM 0 HA LYS A 98 -10.119 -13.255 0.449 1.00 0.38 H new ATOM 0 HB2 LYS A 98 -8.023 -13.228 2.645 1.00 0.48 H new ATOM 0 HB3 LYS A 98 -9.622 -12.512 2.695 1.00 0.48 H new ATOM 0 HG2 LYS A 98 -10.668 -14.731 2.631 1.00 0.60 H new ATOM 0 HG3 LYS A 98 -9.106 -15.499 2.431 1.00 0.60 H new ATOM 0 HD2 LYS A 98 -9.475 -15.753 4.723 1.00 0.70 H new ATOM 0 HD3 LYS A 98 -8.474 -14.316 4.678 1.00 0.70 H new ATOM 0 HE2 LYS A 98 -10.460 -12.878 4.854 1.00 0.78 H new ATOM 0 HE3 LYS A 98 -11.515 -14.274 4.772 1.00 0.78 H new ATOM 0 HZ1 LYS A 98 -11.211 -13.537 7.042 1.00 0.89 H new ATOM 0 HZ2 LYS A 98 -10.551 -15.089 6.843 1.00 0.89 H new ATOM 0 HZ3 LYS A 98 -9.529 -13.735 6.922 1.00 0.89 H new ATOM 1554 N ASN A 99 -8.036 -12.101 -1.047 1.00 0.40 N ATOM 1555 CA ASN A 99 -7.321 -11.006 -1.700 1.00 0.48 C ATOM 1556 C ASN A 99 -8.199 -9.759 -1.813 1.00 0.44 C ATOM 1557 O ASN A 99 -8.675 -9.406 -2.895 1.00 0.78 O ATOM 1558 CB ASN A 99 -6.822 -11.439 -3.090 1.00 0.64 C ATOM 1559 CG ASN A 99 -7.947 -11.833 -4.037 1.00 0.72 C ATOM 1560 OD1 ASN A 99 -8.969 -12.383 -3.620 1.00 0.82 O ATOM 1561 ND2 ASN A 99 -7.766 -11.557 -5.322 1.00 1.07 N ATOM 0 H ASN A 99 -8.274 -12.872 -1.670 1.00 0.40 H new ATOM 0 HA ASN A 99 -6.459 -10.755 -1.082 1.00 0.48 H new ATOM 0 HB2 ASN A 99 -6.251 -10.623 -3.534 1.00 0.64 H new ATOM 0 HB3 ASN A 99 -6.139 -12.281 -2.977 1.00 0.64 H new ATOM 0 HD21 ASN A 99 -8.486 -11.801 -6.002 1.00 1.07 H new ATOM 0 HD22 ASN A 99 -6.907 -11.101 -5.630 1.00 1.07 H new ATOM 1568 N TRP A 100 -8.423 -9.104 -0.682 1.00 0.33 N ATOM 1569 CA TRP A 100 -9.226 -7.890 -0.645 1.00 0.32 C ATOM 1570 C TRP A 100 -8.373 -6.680 -1.016 1.00 0.32 C ATOM 1571 O TRP A 100 -7.182 -6.630 -0.697 1.00 0.46 O ATOM 1572 CB TRP A 100 -9.841 -7.695 0.744 1.00 0.38 C ATOM 1573 CG TRP A 100 -10.911 -8.692 1.068 1.00 0.41 C ATOM 1574 CD1 TRP A 100 -10.780 -9.825 1.818 1.00 0.54 C ATOM 1575 CD2 TRP A 100 -12.278 -8.647 0.646 1.00 0.57 C ATOM 1576 NE1 TRP A 100 -11.982 -10.484 1.891 1.00 0.59 N ATOM 1577 CE2 TRP A 100 -12.917 -9.782 1.179 1.00 0.63 C ATOM 1578 CE3 TRP A 100 -13.024 -7.758 -0.130 1.00 0.83 C ATOM 1579 CZ2 TRP A 100 -14.267 -10.048 0.963 1.00 0.85 C ATOM 1580 CZ3 TRP A 100 -14.364 -8.023 -0.345 1.00 1.09 C ATOM 1581 CH2 TRP A 100 -14.972 -9.161 0.200 1.00 1.08 C ATOM 0 H TRP A 100 -8.058 -9.395 0.225 1.00 0.33 H new ATOM 0 HA TRP A 100 -10.033 -7.988 -1.372 1.00 0.32 H new ATOM 0 HB2 TRP A 100 -9.053 -7.762 1.494 1.00 0.38 H new ATOM 0 HB3 TRP A 100 -10.259 -6.691 0.810 1.00 0.38 H new ATOM 0 HD1 TRP A 100 -9.864 -10.155 2.286 1.00 0.54 H new ATOM 0 HE1 TRP A 100 -12.151 -11.355 2.394 1.00 0.59 H new ATOM 0 HE3 TRP A 100 -12.563 -6.879 -0.555 1.00 0.83 H new ATOM 0 HZ2 TRP A 100 -14.739 -10.924 1.383 1.00 0.85 H new ATOM 0 HZ3 TRP A 100 -14.951 -7.342 -0.943 1.00 1.09 H new ATOM 0 HH2 TRP A 100 -16.020 -9.341 0.013 1.00 1.08 H new ATOM 1592 N PHE A 101 -8.983 -5.711 -1.688 1.00 0.28 N ATOM 1593 CA PHE A 101 -8.278 -4.504 -2.107 1.00 0.29 C ATOM 1594 C PHE A 101 -7.936 -3.618 -0.909 1.00 0.29 C ATOM 1595 O PHE A 101 -8.741 -3.459 0.014 1.00 0.38 O ATOM 1596 CB PHE A 101 -9.118 -3.721 -3.121 1.00 0.34 C ATOM 1597 CG PHE A 101 -9.290 -4.432 -4.435 1.00 0.41 C ATOM 1598 CD1 PHE A 101 -8.253 -4.481 -5.355 1.00 0.49 C ATOM 1599 CD2 PHE A 101 -10.490 -5.049 -4.752 1.00 0.54 C ATOM 1600 CE1 PHE A 101 -8.410 -5.132 -6.565 1.00 0.60 C ATOM 1601 CE2 PHE A 101 -10.652 -5.704 -5.958 1.00 0.64 C ATOM 1602 CZ PHE A 101 -9.613 -5.744 -6.866 1.00 0.64 C ATOM 0 H PHE A 101 -9.967 -5.737 -1.955 1.00 0.28 H new ATOM 0 HA PHE A 101 -7.344 -4.809 -2.580 1.00 0.29 H new ATOM 0 HB2 PHE A 101 -10.101 -3.525 -2.692 1.00 0.34 H new ATOM 0 HB3 PHE A 101 -8.649 -2.753 -3.299 1.00 0.34 H new ATOM 0 HD1 PHE A 101 -7.312 -4.005 -5.124 1.00 0.49 H new ATOM 0 HD2 PHE A 101 -11.308 -5.017 -4.048 1.00 0.54 H new ATOM 0 HE1 PHE A 101 -7.595 -5.162 -7.273 1.00 0.60 H new ATOM 0 HE2 PHE A 101 -11.591 -6.184 -6.190 1.00 0.64 H new ATOM 0 HZ PHE A 101 -9.739 -6.253 -7.810 1.00 0.64 H new ATOM 1612 N VAL A 102 -6.735 -3.051 -0.934 1.00 0.30 N ATOM 1613 CA VAL A 102 -6.267 -2.175 0.136 1.00 0.35 C ATOM 1614 C VAL A 102 -6.787 -0.744 -0.070 1.00 0.55 C ATOM 1615 O VAL A 102 -7.832 -0.548 -0.687 1.00 1.36 O ATOM 1616 CB VAL A 102 -4.719 -2.181 0.217 1.00 0.57 C ATOM 1617 CG1 VAL A 102 -4.206 -3.589 0.481 1.00 0.67 C ATOM 1618 CG2 VAL A 102 -4.104 -1.607 -1.055 1.00 0.82 C ATOM 0 H VAL A 102 -6.063 -3.183 -1.689 1.00 0.30 H new ATOM 0 HA VAL A 102 -6.660 -2.554 1.079 1.00 0.35 H new ATOM 0 HB VAL A 102 -4.418 -1.545 1.049 1.00 0.57 H new ATOM 0 HG11 VAL A 102 -3.117 -3.575 0.535 1.00 0.67 H new ATOM 0 HG12 VAL A 102 -4.612 -3.953 1.425 1.00 0.67 H new ATOM 0 HG13 VAL A 102 -4.521 -4.249 -0.328 1.00 0.67 H new ATOM 0 HG21 VAL A 102 -3.017 -1.622 -0.973 1.00 0.82 H new ATOM 0 HG22 VAL A 102 -4.412 -2.208 -1.911 1.00 0.82 H new ATOM 0 HG23 VAL A 102 -4.443 -0.580 -1.192 1.00 0.82 H new ATOM 1628 N GLY A 103 -6.076 0.250 0.466 1.00 0.48 N ATOM 1629 CA GLY A 103 -6.490 1.629 0.307 1.00 0.46 C ATOM 1630 C GLY A 103 -6.880 2.274 1.621 1.00 0.41 C ATOM 1631 O GLY A 103 -7.959 2.005 2.156 1.00 0.59 O ATOM 0 H GLY A 103 -5.221 0.120 1.007 1.00 0.48 H new ATOM 0 HA2 GLY A 103 -5.679 2.198 -0.147 1.00 0.46 H new ATOM 0 HA3 GLY A 103 -7.334 1.674 -0.381 1.00 0.46 H new ATOM 1635 N LEU A 104 -6.011 3.136 2.131 1.00 0.37 N ATOM 1636 CA LEU A 104 -6.261 3.830 3.388 1.00 0.34 C ATOM 1637 C LEU A 104 -7.192 5.031 3.168 1.00 0.34 C ATOM 1638 O LEU A 104 -7.940 5.080 2.178 1.00 0.49 O ATOM 1639 CB LEU A 104 -4.930 4.282 4.013 1.00 0.38 C ATOM 1640 CG LEU A 104 -4.167 5.359 3.230 1.00 0.46 C ATOM 1641 CD1 LEU A 104 -3.651 6.438 4.171 1.00 0.69 C ATOM 1642 CD2 LEU A 104 -3.013 4.742 2.451 1.00 0.66 C ATOM 0 H LEU A 104 -5.122 3.373 1.691 1.00 0.37 H new ATOM 0 HA LEU A 104 -6.754 3.142 4.075 1.00 0.34 H new ATOM 0 HB2 LEU A 104 -5.129 4.659 5.016 1.00 0.38 H new ATOM 0 HB3 LEU A 104 -4.285 3.410 4.122 1.00 0.38 H new ATOM 0 HG LEU A 104 -4.856 5.817 2.521 1.00 0.46 H new ATOM 0 HD11 LEU A 104 -3.113 7.193 3.598 1.00 0.69 H new ATOM 0 HD12 LEU A 104 -4.491 6.904 4.686 1.00 0.69 H new ATOM 0 HD13 LEU A 104 -2.979 5.991 4.904 1.00 0.69 H new ATOM 0 HD21 LEU A 104 -2.485 5.523 1.903 1.00 0.66 H new ATOM 0 HD22 LEU A 104 -2.325 4.256 3.143 1.00 0.66 H new ATOM 0 HD23 LEU A 104 -3.401 4.005 1.748 1.00 0.66 H new ATOM 1654 N LYS A 105 -7.164 5.977 4.106 1.00 0.39 N ATOM 1655 CA LYS A 105 -7.973 7.181 4.026 1.00 0.41 C ATOM 1656 C LYS A 105 -7.219 8.363 4.637 1.00 0.32 C ATOM 1657 O LYS A 105 -6.490 8.199 5.617 1.00 0.34 O ATOM 1658 CB LYS A 105 -9.300 6.976 4.752 1.00 0.58 C ATOM 1659 CG LYS A 105 -10.374 7.970 4.345 1.00 0.58 C ATOM 1660 CD LYS A 105 -10.895 7.679 2.946 1.00 0.61 C ATOM 1661 CE LYS A 105 -12.098 8.544 2.597 1.00 0.73 C ATOM 1662 NZ LYS A 105 -11.718 9.952 2.299 1.00 0.60 N ATOM 0 H LYS A 105 -6.579 5.925 4.940 1.00 0.39 H new ATOM 0 HA LYS A 105 -8.177 7.396 2.977 1.00 0.41 H new ATOM 0 HB2 LYS A 105 -9.659 5.965 4.557 1.00 0.58 H new ATOM 0 HB3 LYS A 105 -9.133 7.053 5.826 1.00 0.58 H new ATOM 0 HG2 LYS A 105 -11.198 7.931 5.058 1.00 0.58 H new ATOM 0 HG3 LYS A 105 -9.969 8.981 4.382 1.00 0.58 H new ATOM 0 HD2 LYS A 105 -10.101 7.852 2.220 1.00 0.61 H new ATOM 0 HD3 LYS A 105 -11.171 6.627 2.873 1.00 0.61 H new ATOM 0 HE2 LYS A 105 -12.610 8.118 1.734 1.00 0.73 H new ATOM 0 HE3 LYS A 105 -12.805 8.529 3.426 1.00 0.73 H new ATOM 0 HZ1 LYS A 105 -12.498 10.423 1.798 1.00 0.60 H new ATOM 0 HZ2 LYS A 105 -11.524 10.455 3.188 1.00 0.60 H new ATOM 0 HZ3 LYS A 105 -10.866 9.963 1.702 1.00 0.60 H new ATOM 1676 N LYS A 106 -7.411 9.550 4.062 1.00 0.36 N ATOM 1677 CA LYS A 106 -6.741 10.772 4.525 1.00 0.46 C ATOM 1678 C LYS A 106 -6.795 10.941 6.047 1.00 0.51 C ATOM 1679 O LYS A 106 -5.835 11.411 6.654 1.00 0.67 O ATOM 1680 CB LYS A 106 -7.353 12.001 3.842 1.00 0.60 C ATOM 1681 CG LYS A 106 -8.801 12.269 4.227 1.00 0.67 C ATOM 1682 CD LYS A 106 -9.352 13.484 3.499 1.00 0.90 C ATOM 1683 CE LYS A 106 -10.694 13.919 4.063 1.00 1.14 C ATOM 1684 NZ LYS A 106 -11.247 15.087 3.329 1.00 1.43 N ATOM 0 H LYS A 106 -8.032 9.695 3.266 1.00 0.36 H new ATOM 0 HA LYS A 106 -5.690 10.678 4.251 1.00 0.46 H new ATOM 0 HB2 LYS A 106 -6.754 12.877 4.090 1.00 0.60 H new ATOM 0 HB3 LYS A 106 -7.294 11.870 2.762 1.00 0.60 H new ATOM 0 HG2 LYS A 106 -9.409 11.395 3.992 1.00 0.67 H new ATOM 0 HG3 LYS A 106 -8.870 12.426 5.303 1.00 0.67 H new ATOM 0 HD2 LYS A 106 -8.641 14.307 3.576 1.00 0.90 H new ATOM 0 HD3 LYS A 106 -9.460 13.254 2.439 1.00 0.90 H new ATOM 0 HE2 LYS A 106 -11.398 13.089 4.008 1.00 1.14 H new ATOM 0 HE3 LYS A 106 -10.581 14.172 5.117 1.00 1.14 H new ATOM 0 HZ1 LYS A 106 -12.163 15.355 3.742 1.00 1.43 H new ATOM 0 HZ2 LYS A 106 -10.587 15.887 3.402 1.00 1.43 H new ATOM 0 HZ3 LYS A 106 -11.379 14.837 2.328 1.00 1.43 H new ATOM 1698 N ASN A 107 -7.908 10.545 6.662 1.00 0.53 N ATOM 1699 CA ASN A 107 -8.073 10.679 8.115 1.00 0.70 C ATOM 1700 C ASN A 107 -7.168 9.712 8.900 1.00 0.65 C ATOM 1701 O ASN A 107 -7.172 9.715 10.131 1.00 0.82 O ATOM 1702 CB ASN A 107 -9.543 10.460 8.496 1.00 0.83 C ATOM 1703 CG ASN A 107 -9.841 10.806 9.950 1.00 1.04 C ATOM 1704 OD1 ASN A 107 -9.947 9.924 10.802 1.00 1.17 O ATOM 1705 ND2 ASN A 107 -9.990 12.092 10.246 1.00 1.38 N ATOM 0 H ASN A 107 -8.707 10.130 6.183 1.00 0.53 H new ATOM 0 HA ASN A 107 -7.770 11.690 8.386 1.00 0.70 H new ATOM 0 HB2 ASN A 107 -10.175 11.067 7.847 1.00 0.83 H new ATOM 0 HB3 ASN A 107 -9.808 9.418 8.315 1.00 0.83 H new ATOM 0 HD21 ASN A 107 -10.199 12.374 11.204 1.00 1.38 H new ATOM 0 HD22 ASN A 107 -9.896 12.798 9.516 1.00 1.38 H new ATOM 1712 N GLY A 108 -6.393 8.889 8.194 1.00 0.49 N ATOM 1713 CA GLY A 108 -5.507 7.956 8.862 1.00 0.55 C ATOM 1714 C GLY A 108 -6.227 6.691 9.268 1.00 0.52 C ATOM 1715 O GLY A 108 -6.357 6.390 10.456 1.00 1.00 O ATOM 0 H GLY A 108 -6.365 8.854 7.175 1.00 0.49 H new ATOM 0 HA2 GLY A 108 -4.677 7.706 8.201 1.00 0.55 H new ATOM 0 HA3 GLY A 108 -5.079 8.430 9.745 1.00 0.55 H new ATOM 1719 N SER A 109 -6.722 5.957 8.282 1.00 0.52 N ATOM 1720 CA SER A 109 -7.444 4.716 8.532 1.00 0.56 C ATOM 1721 C SER A 109 -7.488 3.851 7.272 1.00 0.51 C ATOM 1722 O SER A 109 -7.298 4.352 6.162 1.00 0.81 O ATOM 1723 CB SER A 109 -8.869 5.018 9.019 1.00 0.75 C ATOM 1724 OG SER A 109 -8.874 5.630 10.304 1.00 0.97 O ATOM 0 H SER A 109 -6.636 6.201 7.295 1.00 0.52 H new ATOM 0 HA SER A 109 -6.916 4.163 9.309 1.00 0.56 H new ATOM 0 HB2 SER A 109 -9.366 5.673 8.303 1.00 0.75 H new ATOM 0 HB3 SER A 109 -9.444 4.092 9.056 1.00 0.75 H new ATOM 0 HG SER A 109 -7.963 5.638 10.666 1.00 0.97 H new ATOM 1730 N CYS A 110 -7.730 2.557 7.452 1.00 0.37 N ATOM 1731 CA CYS A 110 -7.803 1.620 6.337 1.00 0.38 C ATOM 1732 C CYS A 110 -9.120 0.856 6.379 1.00 0.36 C ATOM 1733 O CYS A 110 -9.723 0.706 7.442 1.00 0.54 O ATOM 1734 CB CYS A 110 -6.626 0.642 6.385 1.00 0.47 C ATOM 1735 SG CYS A 110 -5.005 1.424 6.211 1.00 0.61 S ATOM 0 H CYS A 110 -7.880 2.131 8.367 1.00 0.37 H new ATOM 0 HA CYS A 110 -7.751 2.183 5.405 1.00 0.38 H new ATOM 0 HB2 CYS A 110 -6.656 0.101 7.331 1.00 0.47 H new ATOM 0 HB3 CYS A 110 -6.748 -0.095 5.592 1.00 0.47 H new ATOM 0 HG CYS A 110 -4.088 0.629 6.677 1.00 0.61 H new ATOM 1741 N LYS A 111 -9.571 0.376 5.222 1.00 0.38 N ATOM 1742 CA LYS A 111 -10.824 -0.371 5.146 1.00 0.44 C ATOM 1743 C LYS A 111 -10.671 -1.629 4.283 1.00 0.47 C ATOM 1744 O LYS A 111 -11.612 -2.046 3.606 1.00 0.88 O ATOM 1745 CB LYS A 111 -11.945 0.525 4.598 1.00 0.60 C ATOM 1746 CG LYS A 111 -12.196 1.775 5.435 1.00 0.69 C ATOM 1747 CD LYS A 111 -12.588 1.430 6.866 1.00 0.79 C ATOM 1748 CE LYS A 111 -12.464 2.634 7.789 1.00 0.94 C ATOM 1749 NZ LYS A 111 -12.439 2.238 9.223 1.00 1.27 N ATOM 0 H LYS A 111 -9.091 0.490 4.329 1.00 0.38 H new ATOM 0 HA LYS A 111 -11.089 -0.690 6.154 1.00 0.44 H new ATOM 0 HB2 LYS A 111 -11.694 0.824 3.580 1.00 0.60 H new ATOM 0 HB3 LYS A 111 -12.866 -0.055 4.542 1.00 0.60 H new ATOM 0 HG2 LYS A 111 -11.298 2.393 5.443 1.00 0.69 H new ATOM 0 HG3 LYS A 111 -12.987 2.368 4.975 1.00 0.69 H new ATOM 0 HD2 LYS A 111 -13.614 1.062 6.884 1.00 0.79 H new ATOM 0 HD3 LYS A 111 -11.953 0.623 7.233 1.00 0.79 H new ATOM 0 HE2 LYS A 111 -11.553 3.183 7.549 1.00 0.94 H new ATOM 0 HE3 LYS A 111 -13.300 3.312 7.615 1.00 0.94 H new ATOM 0 HZ1 LYS A 111 -12.354 3.088 9.816 1.00 1.27 H new ATOM 0 HZ2 LYS A 111 -13.319 1.737 9.460 1.00 1.27 H new ATOM 0 HZ3 LYS A 111 -11.627 1.612 9.396 1.00 1.27 H new ATOM 1763 N ARG A 112 -9.485 -2.242 4.334 1.00 0.36 N ATOM 1764 CA ARG A 112 -9.208 -3.455 3.563 1.00 0.36 C ATOM 1765 C ARG A 112 -10.129 -4.585 4.021 1.00 0.37 C ATOM 1766 O ARG A 112 -10.681 -5.327 3.206 1.00 0.47 O ATOM 1767 CB ARG A 112 -7.740 -3.873 3.735 1.00 0.39 C ATOM 1768 CG ARG A 112 -7.170 -4.652 2.554 1.00 0.42 C ATOM 1769 CD ARG A 112 -7.777 -6.044 2.429 1.00 0.55 C ATOM 1770 NE ARG A 112 -7.290 -6.970 3.460 1.00 0.81 N ATOM 1771 CZ ARG A 112 -8.071 -7.799 4.170 1.00 1.24 C ATOM 1772 NH1 ARG A 112 -9.397 -7.771 4.032 1.00 1.69 N ATOM 1773 NH2 ARG A 112 -7.520 -8.649 5.037 1.00 1.57 N ATOM 0 H ARG A 112 -8.702 -1.917 4.901 1.00 0.36 H new ATOM 0 HA ARG A 112 -9.392 -3.249 2.508 1.00 0.36 H new ATOM 0 HB2 ARG A 112 -7.136 -2.980 3.893 1.00 0.39 H new ATOM 0 HB3 ARG A 112 -7.650 -4.482 4.635 1.00 0.39 H new ATOM 0 HG2 ARG A 112 -7.351 -4.096 1.634 1.00 0.42 H new ATOM 0 HG3 ARG A 112 -6.089 -4.739 2.667 1.00 0.42 H new ATOM 0 HD2 ARG A 112 -8.862 -5.970 2.497 1.00 0.55 H new ATOM 0 HD3 ARG A 112 -7.546 -6.449 1.444 1.00 0.55 H new ATOM 0 HE ARG A 112 -6.288 -6.984 3.650 1.00 0.81 H new ATOM 0 HH11 ARG A 112 -9.828 -7.115 3.381 1.00 1.69 H new ATOM 0 HH12 ARG A 112 -9.980 -8.406 4.577 1.00 1.69 H new ATOM 0 HH21 ARG A 112 -6.508 -8.668 5.159 1.00 1.57 H new ATOM 0 HH22 ARG A 112 -8.111 -9.280 5.578 1.00 1.57 H new ATOM 1787 N GLY A 113 -10.266 -4.721 5.335 1.00 0.36 N ATOM 1788 CA GLY A 113 -11.126 -5.745 5.899 1.00 0.43 C ATOM 1789 C GLY A 113 -12.580 -5.310 5.977 1.00 0.41 C ATOM 1790 O GLY A 113 -13.465 -6.032 5.515 1.00 0.46 O ATOM 0 H GLY A 113 -9.793 -4.136 6.024 1.00 0.36 H new ATOM 0 HA2 GLY A 113 -11.053 -6.649 5.294 1.00 0.43 H new ATOM 0 HA3 GLY A 113 -10.773 -6.001 6.898 1.00 0.43 H new ATOM 1794 N PRO A 114 -12.857 -4.127 6.568 1.00 0.44 N ATOM 1795 CA PRO A 114 -14.220 -3.603 6.711 1.00 0.50 C ATOM 1796 C PRO A 114 -15.071 -3.762 5.451 1.00 0.41 C ATOM 1797 O PRO A 114 -16.074 -4.481 5.467 1.00 0.45 O ATOM 1798 CB PRO A 114 -13.990 -2.127 7.028 1.00 0.62 C ATOM 1799 CG PRO A 114 -12.694 -2.108 7.757 1.00 0.71 C ATOM 1800 CD PRO A 114 -11.862 -3.215 7.163 1.00 0.52 C ATOM 0 HA PRO A 114 -14.779 -4.144 7.475 1.00 0.50 H new ATOM 0 HB2 PRO A 114 -13.945 -1.527 6.119 1.00 0.62 H new ATOM 0 HB3 PRO A 114 -14.796 -1.720 7.638 1.00 0.62 H new ATOM 0 HG2 PRO A 114 -12.198 -1.144 7.644 1.00 0.71 H new ATOM 0 HG3 PRO A 114 -12.846 -2.265 8.825 1.00 0.71 H new ATOM 0 HD2 PRO A 114 -11.169 -2.835 6.412 1.00 0.52 H new ATOM 0 HD3 PRO A 114 -11.264 -3.717 7.923 1.00 0.52 H new ATOM 1808 N ARG A 115 -14.680 -3.103 4.362 1.00 0.38 N ATOM 1809 CA ARG A 115 -15.441 -3.185 3.117 1.00 0.39 C ATOM 1810 C ARG A 115 -14.787 -2.381 1.999 1.00 0.44 C ATOM 1811 O ARG A 115 -14.896 -1.150 1.958 1.00 0.81 O ATOM 1812 CB ARG A 115 -16.877 -2.687 3.326 1.00 0.51 C ATOM 1813 CG ARG A 115 -17.712 -2.691 2.053 1.00 0.57 C ATOM 1814 CD ARG A 115 -18.848 -1.682 2.124 1.00 0.69 C ATOM 1815 NE ARG A 115 -18.360 -0.297 2.149 1.00 0.90 N ATOM 1816 CZ ARG A 115 -19.136 0.774 1.951 1.00 1.11 C ATOM 1817 NH1 ARG A 115 -20.431 0.629 1.677 1.00 1.30 N ATOM 1818 NH2 ARG A 115 -18.614 1.995 2.031 1.00 1.47 N ATOM 0 H ARG A 115 -13.850 -2.512 4.316 1.00 0.38 H new ATOM 0 HA ARG A 115 -15.457 -4.234 2.823 1.00 0.39 H new ATOM 0 HB2 ARG A 115 -17.365 -3.313 4.073 1.00 0.51 H new ATOM 0 HB3 ARG A 115 -16.847 -1.674 3.728 1.00 0.51 H new ATOM 0 HG2 ARG A 115 -17.075 -2.462 1.199 1.00 0.57 H new ATOM 0 HG3 ARG A 115 -18.120 -3.688 1.888 1.00 0.57 H new ATOM 0 HD2 ARG A 115 -19.506 -1.818 1.266 1.00 0.69 H new ATOM 0 HD3 ARG A 115 -19.444 -1.871 3.016 1.00 0.69 H new ATOM 0 HE ARG A 115 -17.368 -0.142 2.328 1.00 0.90 H new ATOM 0 HH11 ARG A 115 -20.838 -0.304 1.617 1.00 1.30 H new ATOM 0 HH12 ARG A 115 -21.016 1.451 1.527 1.00 1.30 H new ATOM 0 HH21 ARG A 115 -17.623 2.113 2.243 1.00 1.47 H new ATOM 0 HH22 ARG A 115 -19.204 2.813 1.880 1.00 1.47 H new ATOM 1832 N THR A 116 -14.121 -3.082 1.095 1.00 0.36 N ATOM 1833 CA THR A 116 -13.474 -2.457 -0.048 1.00 0.38 C ATOM 1834 C THR A 116 -14.246 -2.826 -1.317 1.00 0.39 C ATOM 1835 O THR A 116 -14.562 -4.002 -1.530 1.00 0.51 O ATOM 1836 CB THR A 116 -11.994 -2.893 -0.166 1.00 0.45 C ATOM 1837 OG1 THR A 116 -11.313 -2.084 -1.130 1.00 0.57 O ATOM 1838 CG2 THR A 116 -11.876 -4.358 -0.559 1.00 0.58 C ATOM 0 H THR A 116 -14.014 -4.096 1.132 1.00 0.36 H new ATOM 0 HA THR A 116 -13.482 -1.376 0.088 1.00 0.38 H new ATOM 0 HB THR A 116 -11.533 -2.761 0.813 1.00 0.45 H new ATOM 0 HG1 THR A 116 -10.368 -2.006 -0.883 1.00 0.57 H new ATOM 0 HG21 THR A 116 -10.823 -4.631 -0.633 1.00 0.58 H new ATOM 0 HG22 THR A 116 -12.359 -4.977 0.196 1.00 0.58 H new ATOM 0 HG23 THR A 116 -12.361 -4.516 -1.522 1.00 0.58 H new ATOM 1846 N HIS A 117 -14.571 -1.823 -2.141 1.00 0.37 N ATOM 1847 CA HIS A 117 -15.332 -2.034 -3.379 1.00 0.39 C ATOM 1848 C HIS A 117 -15.810 -0.699 -3.961 1.00 0.36 C ATOM 1849 O HIS A 117 -15.486 -0.354 -5.096 1.00 0.42 O ATOM 1850 CB HIS A 117 -16.558 -2.926 -3.126 1.00 0.43 C ATOM 1851 CG HIS A 117 -16.484 -4.277 -3.774 1.00 0.57 C ATOM 1852 ND1 HIS A 117 -15.865 -5.359 -3.186 1.00 0.85 N ATOM 1853 CD2 HIS A 117 -16.980 -4.727 -4.950 1.00 0.77 C ATOM 1854 CE1 HIS A 117 -15.983 -6.414 -3.970 1.00 0.95 C ATOM 1855 NE2 HIS A 117 -16.653 -6.056 -5.045 1.00 0.89 N ATOM 0 H HIS A 117 -14.317 -0.850 -1.971 1.00 0.37 H new ATOM 0 HA HIS A 117 -14.665 -2.524 -4.088 1.00 0.39 H new ATOM 0 HB2 HIS A 117 -16.681 -3.058 -2.051 1.00 0.43 H new ATOM 0 HB3 HIS A 117 -17.448 -2.411 -3.488 1.00 0.43 H new ATOM 0 HD1 HIS A 117 -15.389 -5.346 -2.284 1.00 0.85 H new ATOM 0 HD2 HIS A 117 -17.530 -4.148 -5.677 1.00 0.77 H new ATOM 0 HE1 HIS A 117 -15.596 -7.401 -3.765 1.00 0.95 H new ATOM 1864 N TYR A 118 -16.583 0.042 -3.172 1.00 0.38 N ATOM 1865 CA TYR A 118 -17.127 1.326 -3.611 1.00 0.41 C ATOM 1866 C TYR A 118 -16.126 2.456 -3.398 1.00 0.39 C ATOM 1867 O TYR A 118 -15.353 2.436 -2.436 1.00 0.48 O ATOM 1868 CB TYR A 118 -18.417 1.651 -2.850 1.00 0.51 C ATOM 1869 CG TYR A 118 -19.535 0.653 -3.061 1.00 0.56 C ATOM 1870 CD1 TYR A 118 -20.343 0.711 -4.189 1.00 0.79 C ATOM 1871 CD2 TYR A 118 -19.790 -0.339 -2.125 1.00 0.75 C ATOM 1872 CE1 TYR A 118 -21.373 -0.190 -4.376 1.00 0.92 C ATOM 1873 CE2 TYR A 118 -20.815 -1.245 -2.305 1.00 0.87 C ATOM 1874 CZ TYR A 118 -21.602 -1.166 -3.432 1.00 0.86 C ATOM 1875 OH TYR A 118 -22.631 -2.066 -3.611 1.00 1.05 O ATOM 0 H TYR A 118 -16.848 -0.224 -2.224 1.00 0.38 H new ATOM 0 HA TYR A 118 -17.340 1.241 -4.677 1.00 0.41 H new ATOM 0 HB2 TYR A 118 -18.192 1.707 -1.785 1.00 0.51 H new ATOM 0 HB3 TYR A 118 -18.765 2.638 -3.154 1.00 0.51 H new ATOM 0 HD1 TYR A 118 -20.163 1.473 -4.932 1.00 0.79 H new ATOM 0 HD2 TYR A 118 -19.175 -0.403 -1.239 1.00 0.75 H new ATOM 0 HE1 TYR A 118 -21.995 -0.129 -5.257 1.00 0.92 H new ATOM 0 HE2 TYR A 118 -20.999 -2.011 -1.567 1.00 0.87 H new ATOM 0 HH TYR A 118 -22.656 -2.689 -2.855 1.00 1.05 H new ATOM 1885 N GLY A 119 -16.153 3.441 -4.295 1.00 0.38 N ATOM 1886 CA GLY A 119 -15.259 4.576 -4.190 1.00 0.39 C ATOM 1887 C GLY A 119 -13.888 4.293 -4.765 1.00 0.37 C ATOM 1888 O GLY A 119 -13.206 3.359 -4.332 1.00 0.44 O ATOM 0 H GLY A 119 -16.784 3.469 -5.096 1.00 0.38 H new ATOM 0 HA2 GLY A 119 -15.698 5.428 -4.709 1.00 0.39 H new ATOM 0 HA3 GLY A 119 -15.158 4.858 -3.142 1.00 0.39 H new ATOM 1892 N GLN A 120 -13.472 5.111 -5.733 1.00 0.37 N ATOM 1893 CA GLN A 120 -12.164 4.949 -6.367 1.00 0.38 C ATOM 1894 C GLN A 120 -11.077 4.784 -5.305 1.00 0.37 C ATOM 1895 O GLN A 120 -10.105 4.066 -5.509 1.00 0.34 O ATOM 1896 CB GLN A 120 -11.839 6.143 -7.274 1.00 0.50 C ATOM 1897 CG GLN A 120 -12.833 6.338 -8.410 1.00 0.64 C ATOM 1898 CD GLN A 120 -12.362 7.358 -9.432 1.00 0.80 C ATOM 1899 OE1 GLN A 120 -11.721 7.010 -10.423 1.00 0.99 O ATOM 1900 NE2 GLN A 120 -12.668 8.625 -9.197 1.00 1.00 N ATOM 0 H GLN A 120 -14.021 5.891 -6.094 1.00 0.37 H new ATOM 0 HA GLN A 120 -12.197 4.051 -6.984 1.00 0.38 H new ATOM 0 HB2 GLN A 120 -11.810 7.050 -6.669 1.00 0.50 H new ATOM 0 HB3 GLN A 120 -10.842 6.008 -7.694 1.00 0.50 H new ATOM 0 HG2 GLN A 120 -13.002 5.383 -8.907 1.00 0.64 H new ATOM 0 HG3 GLN A 120 -13.791 6.657 -7.999 1.00 0.64 H new ATOM 0 HE21 GLN A 120 -13.201 8.875 -8.364 1.00 1.00 H new ATOM 0 HE22 GLN A 120 -12.370 9.351 -9.849 1.00 1.00 H new ATOM 1909 N LYS A 121 -11.271 5.426 -4.152 1.00 0.51 N ATOM 1910 CA LYS A 121 -10.316 5.349 -3.043 1.00 0.61 C ATOM 1911 C LYS A 121 -9.974 3.896 -2.673 1.00 0.58 C ATOM 1912 O LYS A 121 -8.999 3.652 -1.958 1.00 0.70 O ATOM 1913 CB LYS A 121 -10.877 6.066 -1.808 1.00 0.89 C ATOM 1914 CG LYS A 121 -11.929 5.260 -1.053 1.00 1.06 C ATOM 1915 CD LYS A 121 -11.503 4.975 0.382 1.00 1.39 C ATOM 1916 CE LYS A 121 -10.987 3.550 0.545 1.00 1.34 C ATOM 1917 NZ LYS A 121 -9.498 3.475 0.550 1.00 1.70 N ATOM 0 H LYS A 121 -12.086 6.009 -3.960 1.00 0.51 H new ATOM 0 HA LYS A 121 -9.401 5.838 -3.376 1.00 0.61 H new ATOM 0 HB2 LYS A 121 -10.056 6.299 -1.130 1.00 0.89 H new ATOM 0 HB3 LYS A 121 -11.314 7.016 -2.118 1.00 0.89 H new ATOM 0 HG2 LYS A 121 -12.872 5.806 -1.050 1.00 1.06 H new ATOM 0 HG3 LYS A 121 -12.107 4.319 -1.573 1.00 1.06 H new ATOM 0 HD2 LYS A 121 -10.725 5.679 0.677 1.00 1.39 H new ATOM 0 HD3 LYS A 121 -12.349 5.135 1.051 1.00 1.39 H new ATOM 0 HE2 LYS A 121 -11.371 3.133 1.476 1.00 1.34 H new ATOM 0 HE3 LYS A 121 -11.375 2.932 -0.265 1.00 1.34 H new ATOM 0 HZ1 LYS A 121 -9.195 2.623 1.064 1.00 1.70 H new ATOM 0 HZ2 LYS A 121 -9.149 3.431 -0.429 1.00 1.70 H new ATOM 0 HZ3 LYS A 121 -9.109 4.319 1.018 1.00 1.70 H new ATOM 1931 N ALA A 122 -10.798 2.943 -3.112 1.00 0.54 N ATOM 1932 CA ALA A 122 -10.567 1.532 -2.818 1.00 0.65 C ATOM 1933 C ALA A 122 -9.837 0.811 -3.961 1.00 0.57 C ATOM 1934 O ALA A 122 -9.280 -0.266 -3.758 1.00 0.72 O ATOM 1935 CB ALA A 122 -11.890 0.844 -2.518 1.00 0.77 C ATOM 0 H ALA A 122 -11.631 3.125 -3.672 1.00 0.54 H new ATOM 0 HA ALA A 122 -9.920 1.479 -1.942 1.00 0.65 H new ATOM 0 HB1 ALA A 122 -11.711 -0.209 -2.299 1.00 0.77 H new ATOM 0 HB2 ALA A 122 -12.360 1.319 -1.657 1.00 0.77 H new ATOM 0 HB3 ALA A 122 -12.548 0.928 -3.383 1.00 0.77 H new ATOM 1941 N ILE A 123 -9.828 1.405 -5.157 1.00 0.43 N ATOM 1942 CA ILE A 123 -9.171 0.782 -6.306 1.00 0.48 C ATOM 1943 C ILE A 123 -8.451 1.820 -7.181 1.00 0.41 C ATOM 1944 O ILE A 123 -8.207 1.587 -8.366 1.00 0.61 O ATOM 1945 CB ILE A 123 -10.194 0.002 -7.177 1.00 0.61 C ATOM 1946 CG1 ILE A 123 -11.244 -0.708 -6.305 1.00 0.74 C ATOM 1947 CG2 ILE A 123 -9.480 -1.014 -8.055 1.00 0.77 C ATOM 1948 CD1 ILE A 123 -12.428 0.163 -5.946 1.00 0.79 C ATOM 0 H ILE A 123 -10.263 2.306 -5.353 1.00 0.43 H new ATOM 0 HA ILE A 123 -8.431 0.088 -5.907 1.00 0.48 H new ATOM 0 HB ILE A 123 -10.707 0.725 -7.811 1.00 0.61 H new ATOM 0 HG12 ILE A 123 -11.602 -1.593 -6.831 1.00 0.74 H new ATOM 0 HG13 ILE A 123 -10.767 -1.054 -5.388 1.00 0.74 H new ATOM 0 HG21 ILE A 123 -10.212 -1.551 -8.658 1.00 0.77 H new ATOM 0 HG22 ILE A 123 -8.777 -0.499 -8.710 1.00 0.77 H new ATOM 0 HG23 ILE A 123 -8.938 -1.721 -7.427 1.00 0.77 H new ATOM 0 HD11 ILE A 123 -13.125 -0.406 -5.331 1.00 0.79 H new ATOM 0 HD12 ILE A 123 -12.083 1.035 -5.391 1.00 0.79 H new ATOM 0 HD13 ILE A 123 -12.930 0.488 -6.857 1.00 0.79 H new ATOM 1960 N LEU A 124 -8.098 2.960 -6.595 1.00 0.31 N ATOM 1961 CA LEU A 124 -7.414 4.017 -7.330 1.00 0.29 C ATOM 1962 C LEU A 124 -6.136 4.433 -6.607 1.00 0.26 C ATOM 1963 O LEU A 124 -6.107 5.436 -5.887 1.00 0.38 O ATOM 1964 CB LEU A 124 -8.345 5.220 -7.527 1.00 0.33 C ATOM 1965 CG LEU A 124 -7.816 6.324 -8.452 1.00 0.50 C ATOM 1966 CD1 LEU A 124 -7.484 5.762 -9.827 1.00 0.63 C ATOM 1967 CD2 LEU A 124 -8.833 7.452 -8.573 1.00 0.58 C ATOM 0 H LEU A 124 -8.274 3.175 -5.614 1.00 0.31 H new ATOM 0 HA LEU A 124 -7.138 3.633 -8.312 1.00 0.29 H new ATOM 0 HB2 LEU A 124 -9.294 4.861 -7.926 1.00 0.33 H new ATOM 0 HB3 LEU A 124 -8.555 5.658 -6.551 1.00 0.33 H new ATOM 0 HG LEU A 124 -6.902 6.725 -8.015 1.00 0.50 H new ATOM 0 HD11 LEU A 124 -7.111 6.562 -10.467 1.00 0.63 H new ATOM 0 HD12 LEU A 124 -6.721 4.989 -9.730 1.00 0.63 H new ATOM 0 HD13 LEU A 124 -8.382 5.332 -10.271 1.00 0.63 H new ATOM 0 HD21 LEU A 124 -8.441 8.226 -9.233 1.00 0.58 H new ATOM 0 HD22 LEU A 124 -9.763 7.061 -8.985 1.00 0.58 H new ATOM 0 HD23 LEU A 124 -9.024 7.877 -7.588 1.00 0.58 H new ATOM 1979 N PHE A 125 -5.087 3.639 -6.792 1.00 0.20 N ATOM 1980 CA PHE A 125 -3.796 3.910 -6.172 1.00 0.23 C ATOM 1981 C PHE A 125 -2.755 4.173 -7.250 1.00 0.17 C ATOM 1982 O PHE A 125 -2.643 3.404 -8.211 1.00 0.18 O ATOM 1983 CB PHE A 125 -3.363 2.725 -5.300 1.00 0.33 C ATOM 1984 CG PHE A 125 -4.491 2.121 -4.513 1.00 0.30 C ATOM 1985 CD1 PHE A 125 -5.120 2.843 -3.515 1.00 0.40 C ATOM 1986 CD2 PHE A 125 -4.925 0.833 -4.782 1.00 0.41 C ATOM 1987 CE1 PHE A 125 -6.164 2.292 -2.799 1.00 0.51 C ATOM 1988 CE2 PHE A 125 -5.965 0.276 -4.068 1.00 0.51 C ATOM 1989 CZ PHE A 125 -6.586 1.006 -3.075 1.00 0.54 C ATOM 0 H PHE A 125 -5.107 2.798 -7.369 1.00 0.20 H new ATOM 0 HA PHE A 125 -3.887 4.792 -5.538 1.00 0.23 H new ATOM 0 HB2 PHE A 125 -2.921 1.958 -5.936 1.00 0.33 H new ATOM 0 HB3 PHE A 125 -2.585 3.055 -4.612 1.00 0.33 H new ATOM 0 HD1 PHE A 125 -4.791 3.848 -3.294 1.00 0.40 H new ATOM 0 HD2 PHE A 125 -4.443 0.259 -5.560 1.00 0.41 H new ATOM 0 HE1 PHE A 125 -6.650 2.866 -2.024 1.00 0.51 H new ATOM 0 HE2 PHE A 125 -6.293 -0.730 -4.286 1.00 0.51 H new ATOM 0 HZ PHE A 125 -7.401 0.572 -2.514 1.00 0.54 H new ATOM 1999 N LEU A 126 -1.996 5.250 -7.096 1.00 0.18 N ATOM 2000 CA LEU A 126 -0.978 5.604 -8.071 1.00 0.19 C ATOM 2001 C LEU A 126 0.364 5.861 -7.392 1.00 0.20 C ATOM 2002 O LEU A 126 0.650 6.979 -6.961 1.00 0.33 O ATOM 2003 CB LEU A 126 -1.406 6.835 -8.874 1.00 0.32 C ATOM 2004 CG LEU A 126 -0.423 7.282 -9.958 1.00 0.39 C ATOM 2005 CD1 LEU A 126 -0.221 6.177 -10.983 1.00 0.44 C ATOM 2006 CD2 LEU A 126 -0.918 8.555 -10.628 1.00 0.59 C ATOM 0 H LEU A 126 -2.067 5.891 -6.306 1.00 0.18 H new ATOM 0 HA LEU A 126 -0.862 4.762 -8.754 1.00 0.19 H new ATOM 0 HB2 LEU A 126 -2.368 6.627 -9.342 1.00 0.32 H new ATOM 0 HB3 LEU A 126 -1.561 7.664 -8.183 1.00 0.32 H new ATOM 0 HG LEU A 126 0.539 7.492 -9.490 1.00 0.39 H new ATOM 0 HD11 LEU A 126 0.481 6.513 -11.746 1.00 0.44 H new ATOM 0 HD12 LEU A 126 0.177 5.291 -10.489 1.00 0.44 H new ATOM 0 HD13 LEU A 126 -1.176 5.935 -11.450 1.00 0.44 H new ATOM 0 HD21 LEU A 126 -0.209 8.861 -11.397 1.00 0.59 H new ATOM 0 HD22 LEU A 126 -1.891 8.371 -11.084 1.00 0.59 H new ATOM 0 HD23 LEU A 126 -1.010 9.346 -9.884 1.00 0.59 H new ATOM 2018 N PRO A 127 1.198 4.819 -7.275 1.00 0.21 N ATOM 2019 CA PRO A 127 2.513 4.923 -6.666 1.00 0.29 C ATOM 2020 C PRO A 127 3.579 5.281 -7.699 1.00 0.25 C ATOM 2021 O PRO A 127 3.252 5.665 -8.825 1.00 0.38 O ATOM 2022 CB PRO A 127 2.724 3.511 -6.124 1.00 0.42 C ATOM 2023 CG PRO A 127 2.033 2.625 -7.107 1.00 0.43 C ATOM 2024 CD PRO A 127 0.928 3.445 -7.733 1.00 0.32 C ATOM 0 HA PRO A 127 2.583 5.703 -5.908 1.00 0.29 H new ATOM 0 HB2 PRO A 127 3.784 3.269 -6.049 1.00 0.42 H new ATOM 0 HB3 PRO A 127 2.301 3.402 -5.126 1.00 0.42 H new ATOM 0 HG2 PRO A 127 2.731 2.273 -7.867 1.00 0.43 H new ATOM 0 HG3 PRO A 127 1.627 1.742 -6.613 1.00 0.43 H new ATOM 0 HD2 PRO A 127 0.947 3.376 -8.821 1.00 0.32 H new ATOM 0 HD3 PRO A 127 -0.055 3.103 -7.409 1.00 0.32 H new ATOM 2032 N LEU A 128 4.848 5.167 -7.324 1.00 0.22 N ATOM 2033 CA LEU A 128 5.933 5.470 -8.250 1.00 0.21 C ATOM 2034 C LEU A 128 6.186 4.280 -9.176 1.00 0.23 C ATOM 2035 O LEU A 128 6.132 3.127 -8.738 1.00 0.26 O ATOM 2036 CB LEU A 128 7.215 5.837 -7.497 1.00 0.23 C ATOM 2037 CG LEU A 128 8.205 6.695 -8.290 1.00 0.30 C ATOM 2038 CD1 LEU A 128 7.614 8.068 -8.580 1.00 0.38 C ATOM 2039 CD2 LEU A 128 9.520 6.829 -7.540 1.00 0.37 C ATOM 0 H LEU A 128 5.149 4.870 -6.396 1.00 0.22 H new ATOM 0 HA LEU A 128 5.635 6.330 -8.850 1.00 0.21 H new ATOM 0 HB2 LEU A 128 6.944 6.370 -6.585 1.00 0.23 H new ATOM 0 HB3 LEU A 128 7.716 4.918 -7.192 1.00 0.23 H new ATOM 0 HG LEU A 128 8.401 6.198 -9.240 1.00 0.30 H new ATOM 0 HD11 LEU A 128 8.333 8.662 -9.144 1.00 0.38 H new ATOM 0 HD12 LEU A 128 6.700 7.955 -9.163 1.00 0.38 H new ATOM 0 HD13 LEU A 128 7.385 8.571 -7.641 1.00 0.38 H new ATOM 0 HD21 LEU A 128 10.209 7.442 -8.121 1.00 0.37 H new ATOM 0 HD22 LEU A 128 9.341 7.300 -6.573 1.00 0.37 H new ATOM 0 HD23 LEU A 128 9.954 5.841 -7.387 1.00 0.37 H new ATOM 2051 N PRO A 129 6.467 4.548 -10.467 1.00 0.27 N ATOM 2052 CA PRO A 129 6.723 3.499 -11.465 1.00 0.33 C ATOM 2053 C PRO A 129 7.781 2.489 -11.015 1.00 0.33 C ATOM 2054 O PRO A 129 7.694 1.305 -11.347 1.00 0.67 O ATOM 2055 CB PRO A 129 7.219 4.282 -12.683 1.00 0.45 C ATOM 2056 CG PRO A 129 6.602 5.627 -12.538 1.00 0.47 C ATOM 2057 CD PRO A 129 6.542 5.897 -11.061 1.00 0.30 C ATOM 0 HA PRO A 129 5.832 2.900 -11.653 1.00 0.33 H new ATOM 0 HB2 PRO A 129 8.307 4.344 -12.699 1.00 0.45 H new ATOM 0 HB3 PRO A 129 6.914 3.804 -13.614 1.00 0.45 H new ATOM 0 HG2 PRO A 129 7.194 6.385 -13.050 1.00 0.47 H new ATOM 0 HG3 PRO A 129 5.606 5.649 -12.980 1.00 0.47 H new ATOM 0 HD2 PRO A 129 7.422 6.439 -10.716 1.00 0.30 H new ATOM 0 HD3 PRO A 129 5.673 6.500 -10.798 1.00 0.30 H new ATOM 2065 N VAL A 130 8.778 2.964 -10.265 1.00 0.37 N ATOM 2066 CA VAL A 130 9.853 2.099 -9.774 1.00 0.35 C ATOM 2067 C VAL A 130 9.290 0.810 -9.172 1.00 0.38 C ATOM 2068 O VAL A 130 8.493 0.848 -8.234 1.00 0.57 O ATOM 2069 CB VAL A 130 10.741 2.814 -8.724 1.00 0.40 C ATOM 2070 CG1 VAL A 130 11.529 3.948 -9.366 1.00 0.47 C ATOM 2071 CG2 VAL A 130 9.910 3.334 -7.559 1.00 0.44 C ATOM 0 H VAL A 130 8.863 3.941 -9.985 1.00 0.37 H new ATOM 0 HA VAL A 130 10.473 1.854 -10.636 1.00 0.35 H new ATOM 0 HB VAL A 130 11.446 2.081 -8.332 1.00 0.40 H new ATOM 0 HG11 VAL A 130 12.145 4.436 -8.611 1.00 0.47 H new ATOM 0 HG12 VAL A 130 12.168 3.547 -10.153 1.00 0.47 H new ATOM 0 HG13 VAL A 130 10.838 4.674 -9.795 1.00 0.47 H new ATOM 0 HG21 VAL A 130 10.562 3.830 -6.840 1.00 0.44 H new ATOM 0 HG22 VAL A 130 9.170 4.044 -7.928 1.00 0.44 H new ATOM 0 HG23 VAL A 130 9.402 2.500 -7.074 1.00 0.44 H new ATOM 2081 N SER A 131 9.704 -0.323 -9.735 1.00 0.34 N ATOM 2082 CA SER A 131 9.254 -1.632 -9.275 1.00 0.40 C ATOM 2083 C SER A 131 10.082 -2.745 -9.925 1.00 0.39 C ATOM 2084 O SER A 131 10.911 -2.478 -10.801 1.00 0.47 O ATOM 2085 CB SER A 131 7.770 -1.830 -9.602 1.00 0.50 C ATOM 2086 OG SER A 131 6.938 -1.241 -8.619 1.00 0.88 O ATOM 0 H SER A 131 10.357 -0.359 -10.518 1.00 0.34 H new ATOM 0 HA SER A 131 9.389 -1.679 -8.194 1.00 0.40 H new ATOM 0 HB2 SER A 131 7.550 -1.393 -10.576 1.00 0.50 H new ATOM 0 HB3 SER A 131 7.551 -2.895 -9.674 1.00 0.50 H new ATOM 0 HG SER A 131 6.311 -1.912 -8.277 1.00 0.88 H new ATOM 2092 N SER A 132 9.864 -3.981 -9.486 1.00 0.48 N ATOM 2093 CA SER A 132 10.576 -5.130 -10.030 1.00 0.54 C ATOM 2094 C SER A 132 9.765 -5.791 -11.141 1.00 0.49 C ATOM 2095 O SER A 132 8.728 -6.406 -10.882 1.00 0.96 O ATOM 2096 CB SER A 132 10.875 -6.155 -8.929 1.00 0.76 C ATOM 2097 OG SER A 132 12.087 -5.855 -8.252 1.00 1.03 O ATOM 0 H SER A 132 9.196 -4.212 -8.751 1.00 0.48 H new ATOM 0 HA SER A 132 11.518 -4.773 -10.445 1.00 0.54 H new ATOM 0 HB2 SER A 132 10.053 -6.172 -8.214 1.00 0.76 H new ATOM 0 HB3 SER A 132 10.938 -7.152 -9.366 1.00 0.76 H new ATOM 0 HG SER A 132 12.764 -6.525 -8.481 1.00 1.03 H new ATOM 2103 N ASP A 133 10.227 -5.640 -12.376 1.00 0.56 N ATOM 2104 CA ASP A 133 9.554 -6.247 -13.517 1.00 0.58 C ATOM 2105 C ASP A 133 9.644 -7.767 -13.425 1.00 0.63 C ATOM 2106 O ASP A 133 10.759 -8.283 -13.201 1.00 0.80 O ATOM 2107 CB ASP A 133 10.165 -5.766 -14.835 1.00 0.80 C ATOM 2108 CG ASP A 133 9.649 -6.546 -16.028 1.00 0.92 C ATOM 2109 OD1 ASP A 133 8.478 -6.350 -16.413 1.00 1.06 O ATOM 2110 OD2 ASP A 133 10.412 -7.359 -16.592 1.00 1.07 O ATOM 2111 OXT ASP A 133 8.604 -8.437 -13.566 1.00 0.75 O ATOM 0 H ASP A 133 11.062 -5.104 -12.613 1.00 0.56 H new ATOM 0 HA ASP A 133 8.507 -5.945 -13.497 1.00 0.58 H new ATOM 0 HB2 ASP A 133 9.941 -4.708 -14.972 1.00 0.80 H new ATOM 0 HB3 ASP A 133 11.250 -5.859 -14.785 1.00 0.80 H new TER 2116 ASP A 133 HETATM 2117 C1 IHP A 134 -16.383 4.710 3.594 1.00 3.43 C HETATM 2118 C2 IHP A 134 -16.340 4.377 2.099 1.00 3.47 C HETATM 2119 C3 IHP A 134 -16.896 5.569 1.282 1.00 3.73 C HETATM 2120 C4 IHP A 134 -16.016 6.798 1.541 1.00 3.79 C HETATM 2121 C5 IHP A 134 -16.023 7.152 3.034 1.00 3.74 C HETATM 2122 C6 IHP A 134 -15.519 5.955 3.862 1.00 3.46 C HETATM 2123 O11 IHP A 134 -15.869 3.624 4.368 1.00 3.86 O HETATM 2124 P1 IHP A 134 -16.789 2.924 5.502 1.00 4.66 P HETATM 2125 O21 IHP A 134 -18.085 2.413 4.992 1.00 4.95 O HETATM 2126 O31 IHP A 134 -17.008 4.032 6.643 1.00 4.87 O HETATM 2127 O41 IHP A 134 -15.909 1.759 6.161 1.00 5.52 O HETATM 2128 O12 IHP A 134 -15.020 4.096 1.668 1.00 3.50 O HETATM 2129 P2 IHP A 134 -14.644 2.668 1.024 1.00 4.17 P HETATM 2130 O22 IHP A 134 -13.874 1.865 2.003 1.00 4.60 O HETATM 2131 O32 IHP A 134 -16.037 1.957 0.643 1.00 4.76 O HETATM 2132 O42 IHP A 134 -13.807 2.986 -0.302 1.00 4.45 O HETATM 2133 O13 IHP A 134 -16.858 5.261 -0.110 1.00 4.32 O HETATM 2134 P3 IHP A 134 -18.202 5.283 -0.998 1.00 5.22 P HETATM 2135 O23 IHP A 134 -19.007 6.474 -0.635 1.00 5.53 O HETATM 2136 O33 IHP A 134 -18.969 3.913 -0.659 1.00 5.46 O HETATM 2137 O43 IHP A 134 -17.790 5.307 -2.549 1.00 6.00 O HETATM 2138 O14 IHP A 134 -16.520 7.916 0.809 1.00 4.60 O HETATM 2139 P4 IHP A 134 -15.604 8.642 -0.300 1.00 5.38 P HETATM 2140 O24 IHP A 134 -15.590 7.834 -1.543 1.00 5.62 O HETATM 2141 O34 IHP A 134 -14.148 8.744 0.373 1.00 5.44 O HETATM 2142 O44 IHP A 134 -16.180 10.120 -0.545 1.00 6.32 O HETATM 2143 O15 IHP A 134 -15.177 8.272 3.278 1.00 4.36 O HETATM 2144 P5 IHP A 134 -15.750 9.630 3.926 1.00 5.27 P HETATM 2145 O25 IHP A 134 -16.835 10.176 3.078 1.00 5.62 O HETATM 2146 O35 IHP A 134 -16.292 9.249 5.397 1.00 5.32 O HETATM 2147 O45 IHP A 134 -14.524 10.656 4.053 1.00 6.16 O HETATM 2148 O16 IHP A 134 -15.536 6.294 5.253 1.00 4.02 O HETATM 2149 P6 IHP A 134 -14.183 6.294 6.121 1.00 4.66 P HETATM 2150 O26 IHP A 134 -14.432 6.672 7.537 1.00 5.55 O HETATM 2151 O36 IHP A 134 -13.254 7.368 5.370 1.00 4.84 O HETATM 2152 O46 IHP A 134 -13.512 4.842 6.005 1.00 4.67 O HETATM 0 H6 IHP A 134 -14.496 5.722 3.567 1.00 3.46 H new HETATM 0 H5 IHP A 134 -17.044 7.397 3.326 1.00 3.74 H new HETATM 0 H4 IHP A 134 -15.000 6.566 1.223 1.00 3.79 H new HETATM 0 H3 IHP A 134 -17.925 5.767 1.582 1.00 3.73 H new HETATM 0 H2 IHP A 134 -16.952 3.490 1.937 1.00 3.47 H new HETATM 0 H1 IHP A 134 -17.419 4.894 3.878 1.00 3.43 H new