USER MOD reduce.3.24.130724 H: found=0, std=0, add=1051, rem=0, adj=42 USER MOD reduce.3.24.130724 removed 1051 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 118 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 121 LYS NZ :NH3+ -166:sc= -0.0155 (180deg=-0.216) USER MOD Set 2.1: A 105 LYS NZ :NH3+ 177:sc= 1.12 (180deg=-0.00935) USER MOD Set 2.2: A 120 GLN : amide:sc= -0.873! C(o=0.25!,f=-6.3!) USER MOD Set 3.1: A 10 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 87 TYR OH : rot 180:sc= 0 USER MOD Set 4.1: A 60 MET CE :methyl -139:sc= -0.598 (180deg=-1.75) USER MOD Set 4.2: A 92 SER OG : rot -107:sc= 1.04 USER MOD Set 5.1: A 38 GLN : amide:sc= -0.0611 K(o=0.88,f=-2.3!) USER MOD Set 5.2: A 40 SER OG : rot -54:sc= 0.942 USER MOD Set 6.1: A 33 GLN : amide:sc= 1.1 K(o=1.9,f=0.94) USER MOD Set 6.2: A 54 THR OG1 : rot 158:sc= 0.835 USER MOD Set 7.1: A 9 CYS SG : rot 111:sc= -0.877 USER MOD Set 7.2: A 106 LYS NZ :NH3+ -132:sc= 2.03 (180deg=0.26) USER MOD Set 7.3: A 107 ASN : amide:sc= 0.232 K(o=1.4,f=-6.8!) USER MOD Set 8.1: A 1 TYR N :NH3+ -177:sc= -1.46! (180deg=-2.12) USER MOD Set 8.2: A 132 SER OG : rot 180:sc= 0.683 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 159:sc= 0.327 (180deg=0.166) USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 ASN : amide:sc= -0.184 X(o=-0.18,f=-0.45) USER MOD Single : A 14 HIS :FLIP no HD1:sc= 0.0144 F(o=-2.4,f=0.014) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 34 HIS : no HE2:sc= 0.0106 K(o=0.011,f=-5.9!) USER MOD Single : A 36 GLN : amide:sc= -8.55! C(o=-8.5!,f=-10!) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0637) USER MOD Single : A 51 SER OG : rot 12:sc= 0.753 USER MOD Single : A 52 THR OG1 : rot 84:sc= -1.53! USER MOD Single : A 56 GLN :FLIP amide:sc= -7.87! C(o=-12!,f=-7.9!) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 67:sc= 0.12 USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot -131:sc= 0.138 USER MOD Single : A 70 GLN : amide:sc= -1.36 K(o=-1.4,f=-6.6!) USER MOD Single : A 71 THR OG1 : rot 63:sc= 1.34 USER MOD Single : A 73 ASN : amide:sc= -0.268 K(o=-0.27,f=-2.2!) USER MOD Single : A 76 CYS SG : rot -82:sc= 0.689 USER MOD Single : A 85 ASN : amide:sc= -0.228 X(o=-0.23,f=-0.029) USER MOD Single : A 86 HIS : no HD1:sc=-0.00767 X(o=-0.0077,f=0) USER MOD Single : A 88 ASN : amide:sc= -2.44! C(o=-2.4!,f=-8.2!) USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 TYR OH : rot 150:sc= 0 USER MOD Single : A 93 LYS NZ :NH3+ -165:sc= -0.456 (180deg=-0.833) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 HIS : no HE2:sc= -3.48! C(o=-3.5!,f=-6.3!) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 ASN : amide:sc= -0.344 K(o=-0.34,f=-1.3) USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 110 CYS SG : rot -160:sc= -6.07! USER MOD Single : A 111 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0607) USER MOD Single : A 116 THR OG1 : rot 44:sc= -2.96! USER MOD Single : A 117 HIS : no HD1:sc= -0.317 X(o=-0.32,f=0) USER MOD Single : A 131 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N TYR A 1 17.077 -7.052 7.172 1.00 2.41 N ATOM 2 CA TYR A 1 17.279 -5.732 7.785 1.00 2.09 C ATOM 3 C TYR A 1 15.926 -5.043 7.853 1.00 2.03 C ATOM 4 O TYR A 1 15.782 -3.865 7.540 1.00 2.57 O ATOM 5 CB TYR A 1 18.284 -4.909 6.957 1.00 2.90 C ATOM 6 CG TYR A 1 18.789 -3.654 7.642 1.00 3.87 C ATOM 7 CD1 TYR A 1 19.703 -3.726 8.689 1.00 4.39 C ATOM 8 CD2 TYR A 1 18.348 -2.398 7.246 1.00 4.74 C ATOM 9 CE1 TYR A 1 20.161 -2.585 9.316 1.00 5.57 C ATOM 10 CE2 TYR A 1 18.803 -1.251 7.868 1.00 5.86 C ATOM 11 CZ TYR A 1 19.725 -1.353 8.896 1.00 6.21 C ATOM 12 OH TYR A 1 20.171 -0.211 9.521 1.00 7.47 O ATOM 0 H1 TYR A 1 17.979 -7.570 7.158 1.00 2.41 H new ATOM 0 H2 TYR A 1 16.378 -7.588 7.725 1.00 2.41 H new ATOM 0 H3 TYR A 1 16.731 -6.933 6.199 1.00 2.41 H new ATOM 0 HA TYR A 1 17.693 -5.830 8.789 1.00 2.09 H new ATOM 0 HB2 TYR A 1 19.137 -5.542 6.712 1.00 2.90 H new ATOM 0 HB3 TYR A 1 17.814 -4.628 6.014 1.00 2.90 H new ATOM 0 HD1 TYR A 1 20.060 -4.691 9.016 1.00 4.39 H new ATOM 0 HD2 TYR A 1 17.637 -2.316 6.437 1.00 4.74 H new ATOM 0 HE1 TYR A 1 20.861 -2.661 10.135 1.00 5.57 H new ATOM 0 HE2 TYR A 1 18.442 -0.282 7.555 1.00 5.86 H new ATOM 0 HH TYR A 1 19.764 0.574 9.098 1.00 7.47 H new ATOM 24 N LYS A 2 14.923 -5.802 8.267 1.00 2.03 N ATOM 25 CA LYS A 2 13.553 -5.420 8.015 1.00 2.09 C ATOM 26 C LYS A 2 12.924 -4.613 9.139 1.00 1.28 C ATOM 27 O LYS A 2 13.123 -4.877 10.327 1.00 1.83 O ATOM 28 CB LYS A 2 12.720 -6.669 7.723 1.00 3.32 C ATOM 29 CG LYS A 2 12.774 -7.741 8.803 1.00 4.26 C ATOM 30 CD LYS A 2 12.084 -9.012 8.335 1.00 5.27 C ATOM 31 CE LYS A 2 12.080 -10.090 9.405 1.00 6.31 C ATOM 32 NZ LYS A 2 11.463 -11.351 8.910 1.00 6.96 N ATOM 0 H LYS A 2 15.036 -6.679 8.775 1.00 2.03 H new ATOM 0 HA LYS A 2 13.565 -4.760 7.148 1.00 2.09 H new ATOM 0 HB2 LYS A 2 11.682 -6.370 7.579 1.00 3.32 H new ATOM 0 HB3 LYS A 2 13.060 -7.103 6.783 1.00 3.32 H new ATOM 0 HG2 LYS A 2 13.812 -7.957 9.056 1.00 4.26 H new ATOM 0 HG3 LYS A 2 12.294 -7.374 9.710 1.00 4.26 H new ATOM 0 HD2 LYS A 2 11.057 -8.782 8.049 1.00 5.27 H new ATOM 0 HD3 LYS A 2 12.586 -9.389 7.444 1.00 5.27 H new ATOM 0 HE2 LYS A 2 13.102 -10.287 9.728 1.00 6.31 H new ATOM 0 HE3 LYS A 2 11.533 -9.735 10.278 1.00 6.31 H new ATOM 0 HZ1 LYS A 2 11.477 -12.065 9.666 1.00 6.96 H new ATOM 0 HZ2 LYS A 2 10.480 -11.168 8.625 1.00 6.96 H new ATOM 0 HZ3 LYS A 2 12.001 -11.703 8.092 1.00 6.96 H new ATOM 46 N LYS A 3 12.149 -3.637 8.700 1.00 0.93 N ATOM 47 CA LYS A 3 11.289 -2.801 9.528 1.00 0.96 C ATOM 48 C LYS A 3 10.217 -2.240 8.604 1.00 0.78 C ATOM 49 O LYS A 3 9.020 -2.422 8.840 1.00 1.17 O ATOM 50 CB LYS A 3 12.036 -1.627 10.189 1.00 1.91 C ATOM 51 CG LYS A 3 13.185 -1.992 11.109 1.00 2.62 C ATOM 52 CD LYS A 3 13.840 -0.734 11.655 1.00 3.43 C ATOM 53 CE LYS A 3 15.136 -1.035 12.381 1.00 4.25 C ATOM 54 NZ LYS A 3 15.763 0.201 12.911 1.00 4.81 N ATOM 0 H LYS A 3 12.098 -3.392 7.711 1.00 0.93 H new ATOM 0 HA LYS A 3 10.886 -3.407 10.339 1.00 0.96 H new ATOM 0 HB2 LYS A 3 12.421 -0.980 9.401 1.00 1.91 H new ATOM 0 HB3 LYS A 3 11.315 -1.041 10.759 1.00 1.91 H new ATOM 0 HG2 LYS A 3 12.820 -2.607 11.932 1.00 2.62 H new ATOM 0 HG3 LYS A 3 13.920 -2.587 10.567 1.00 2.62 H new ATOM 0 HD2 LYS A 3 14.036 -0.043 10.835 1.00 3.43 H new ATOM 0 HD3 LYS A 3 13.151 -0.234 12.336 1.00 3.43 H new ATOM 0 HE2 LYS A 3 14.943 -1.726 13.201 1.00 4.25 H new ATOM 0 HE3 LYS A 3 15.828 -1.532 11.701 1.00 4.25 H new ATOM 0 HZ1 LYS A 3 16.647 -0.041 13.402 1.00 4.81 H new ATOM 0 HZ2 LYS A 3 15.970 0.850 12.125 1.00 4.81 H new ATOM 0 HZ3 LYS A 3 15.112 0.662 13.578 1.00 4.81 H new ATOM 68 N PRO A 4 10.635 -1.556 7.514 1.00 0.45 N ATOM 69 CA PRO A 4 9.728 -1.166 6.466 1.00 0.41 C ATOM 70 C PRO A 4 9.611 -2.259 5.419 1.00 0.39 C ATOM 71 O PRO A 4 10.584 -2.949 5.095 1.00 0.53 O ATOM 72 CB PRO A 4 10.383 0.075 5.885 1.00 0.59 C ATOM 73 CG PRO A 4 11.847 -0.135 6.069 1.00 0.72 C ATOM 74 CD PRO A 4 12.012 -1.093 7.218 1.00 0.80 C ATOM 0 HA PRO A 4 8.713 -0.987 6.821 1.00 0.41 H new ATOM 0 HB2 PRO A 4 10.132 0.197 4.831 1.00 0.59 H new ATOM 0 HB3 PRO A 4 10.046 0.975 6.399 1.00 0.59 H new ATOM 0 HG2 PRO A 4 12.296 -0.540 5.162 1.00 0.72 H new ATOM 0 HG3 PRO A 4 12.349 0.810 6.279 1.00 0.72 H new ATOM 0 HD2 PRO A 4 12.662 -1.926 6.950 1.00 0.80 H new ATOM 0 HD3 PRO A 4 12.461 -0.603 8.082 1.00 0.80 H new ATOM 82 N LYS A 5 8.414 -2.435 4.929 1.00 0.38 N ATOM 83 CA LYS A 5 8.142 -3.413 3.901 1.00 0.38 C ATOM 84 C LYS A 5 8.111 -2.756 2.522 1.00 0.35 C ATOM 85 O LYS A 5 8.032 -1.534 2.397 1.00 0.40 O ATOM 86 CB LYS A 5 6.810 -4.110 4.195 1.00 0.44 C ATOM 87 CG LYS A 5 6.778 -4.805 5.550 1.00 1.16 C ATOM 88 CD LYS A 5 5.418 -5.416 5.842 1.00 1.64 C ATOM 89 CE LYS A 5 5.396 -6.105 7.200 1.00 2.57 C ATOM 90 NZ LYS A 5 4.076 -6.726 7.489 1.00 3.33 N ATOM 0 H LYS A 5 7.596 -1.905 5.229 1.00 0.38 H new ATOM 0 HA LYS A 5 8.940 -4.155 3.900 1.00 0.38 H new ATOM 0 HB2 LYS A 5 6.006 -3.375 4.153 1.00 0.44 H new ATOM 0 HB3 LYS A 5 6.612 -4.844 3.414 1.00 0.44 H new ATOM 0 HG2 LYS A 5 7.539 -5.585 5.576 1.00 1.16 H new ATOM 0 HG3 LYS A 5 7.029 -4.088 6.332 1.00 1.16 H new ATOM 0 HD2 LYS A 5 4.655 -4.638 5.815 1.00 1.64 H new ATOM 0 HD3 LYS A 5 5.167 -6.136 5.063 1.00 1.64 H new ATOM 0 HE2 LYS A 5 6.171 -6.871 7.231 1.00 2.57 H new ATOM 0 HE3 LYS A 5 5.634 -5.380 7.978 1.00 2.57 H new ATOM 0 HZ1 LYS A 5 4.190 -7.462 8.215 1.00 3.33 H new ATOM 0 HZ2 LYS A 5 3.418 -5.998 7.834 1.00 3.33 H new ATOM 0 HZ3 LYS A 5 3.695 -7.153 6.620 1.00 3.33 H new ATOM 104 N LEU A 6 8.200 -3.587 1.505 1.00 0.35 N ATOM 105 CA LEU A 6 8.074 -3.168 0.120 1.00 0.37 C ATOM 106 C LEU A 6 6.645 -3.450 -0.298 1.00 0.37 C ATOM 107 O LEU A 6 6.095 -4.502 0.051 1.00 0.46 O ATOM 108 CB LEU A 6 9.069 -3.971 -0.760 1.00 0.51 C ATOM 109 CG LEU A 6 9.260 -3.527 -2.232 1.00 0.64 C ATOM 110 CD1 LEU A 6 8.100 -3.955 -3.138 1.00 1.24 C ATOM 111 CD2 LEU A 6 9.451 -2.027 -2.312 1.00 1.49 C ATOM 0 H LEU A 6 8.364 -4.588 1.616 1.00 0.35 H new ATOM 0 HA LEU A 6 8.304 -2.109 0.002 1.00 0.37 H new ATOM 0 HB2 LEU A 6 10.044 -3.942 -0.273 1.00 0.51 H new ATOM 0 HB3 LEU A 6 8.746 -5.012 -0.764 1.00 0.51 H new ATOM 0 HG LEU A 6 10.155 -4.031 -2.596 1.00 0.64 H new ATOM 0 HD11 LEU A 6 8.290 -3.616 -4.156 1.00 1.24 H new ATOM 0 HD12 LEU A 6 8.012 -5.041 -3.127 1.00 1.24 H new ATOM 0 HD13 LEU A 6 7.172 -3.512 -2.775 1.00 1.24 H new ATOM 0 HD21 LEU A 6 9.584 -1.732 -3.353 1.00 1.49 H new ATOM 0 HD22 LEU A 6 8.574 -1.526 -1.902 1.00 1.49 H new ATOM 0 HD23 LEU A 6 10.333 -1.741 -1.739 1.00 1.49 H new ATOM 123 N LEU A 7 6.042 -2.546 -1.047 1.00 0.36 N ATOM 124 CA LEU A 7 4.681 -2.762 -1.490 1.00 0.39 C ATOM 125 C LEU A 7 4.723 -3.456 -2.829 1.00 0.41 C ATOM 126 O LEU A 7 4.819 -2.831 -3.877 1.00 0.58 O ATOM 127 CB LEU A 7 3.917 -1.440 -1.588 1.00 0.55 C ATOM 128 CG LEU A 7 2.430 -1.575 -1.926 1.00 0.59 C ATOM 129 CD1 LEU A 7 1.611 -0.683 -1.009 1.00 1.53 C ATOM 130 CD2 LEU A 7 2.164 -1.227 -3.391 1.00 1.25 C ATOM 0 H LEU A 7 6.465 -1.671 -1.356 1.00 0.36 H new ATOM 0 HA LEU A 7 4.155 -3.383 -0.765 1.00 0.39 H new ATOM 0 HB2 LEU A 7 4.012 -0.912 -0.639 1.00 0.55 H new ATOM 0 HB3 LEU A 7 4.392 -0.819 -2.348 1.00 0.55 H new ATOM 0 HG LEU A 7 2.133 -2.613 -1.772 1.00 0.59 H new ATOM 0 HD11 LEU A 7 0.554 -0.783 -1.254 1.00 1.53 H new ATOM 0 HD12 LEU A 7 1.773 -0.980 0.027 1.00 1.53 H new ATOM 0 HD13 LEU A 7 1.918 0.355 -1.142 1.00 1.53 H new ATOM 0 HD21 LEU A 7 1.100 -1.332 -3.602 1.00 1.25 H new ATOM 0 HD22 LEU A 7 2.473 -0.199 -3.583 1.00 1.25 H new ATOM 0 HD23 LEU A 7 2.730 -1.902 -4.034 1.00 1.25 H new ATOM 142 N TYR A 8 4.702 -4.767 -2.753 1.00 0.50 N ATOM 143 CA TYR A 8 4.765 -5.629 -3.917 1.00 0.71 C ATOM 144 C TYR A 8 3.364 -5.972 -4.424 1.00 0.44 C ATOM 145 O TYR A 8 2.668 -6.799 -3.865 1.00 0.73 O ATOM 146 CB TYR A 8 5.534 -6.904 -3.555 1.00 1.29 C ATOM 147 CG TYR A 8 6.083 -7.674 -4.739 1.00 1.60 C ATOM 148 CD1 TYR A 8 6.962 -7.079 -5.635 1.00 2.21 C ATOM 149 CD2 TYR A 8 5.697 -8.989 -4.975 1.00 1.84 C ATOM 150 CE1 TYR A 8 7.445 -7.773 -6.730 1.00 2.93 C ATOM 151 CE2 TYR A 8 6.172 -9.686 -6.070 1.00 2.43 C ATOM 152 CZ TYR A 8 7.137 -9.104 -6.882 1.00 2.96 C ATOM 153 OH TYR A 8 7.507 -9.768 -8.040 1.00 3.74 O ATOM 0 H TYR A 8 4.640 -5.274 -1.870 1.00 0.50 H new ATOM 0 HA TYR A 8 5.284 -5.105 -4.719 1.00 0.71 H new ATOM 0 HB2 TYR A 8 6.362 -6.638 -2.898 1.00 1.29 H new ATOM 0 HB3 TYR A 8 4.874 -7.560 -2.987 1.00 1.29 H new ATOM 0 HD1 TYR A 8 7.274 -6.058 -5.474 1.00 2.21 H new ATOM 0 HD2 TYR A 8 5.015 -9.473 -4.292 1.00 1.84 H new ATOM 0 HE1 TYR A 8 8.061 -7.272 -7.462 1.00 2.93 H new ATOM 0 HE2 TYR A 8 5.796 -10.674 -6.292 1.00 2.43 H new ATOM 0 HH TYR A 8 7.215 -10.702 -7.989 1.00 3.74 H new ATOM 163 N CYS A 9 2.992 -5.345 -5.513 1.00 0.63 N ATOM 164 CA CYS A 9 1.740 -5.607 -6.208 1.00 0.75 C ATOM 165 C CYS A 9 1.914 -6.844 -7.057 1.00 1.05 C ATOM 166 O CYS A 9 3.037 -7.133 -7.497 1.00 1.99 O ATOM 167 CB CYS A 9 1.336 -4.421 -7.073 1.00 1.57 C ATOM 168 SG CYS A 9 -0.258 -4.592 -7.899 1.00 2.64 S ATOM 0 H CYS A 9 3.558 -4.622 -5.956 1.00 0.63 H new ATOM 0 HA CYS A 9 0.946 -5.764 -5.478 1.00 0.75 H new ATOM 0 HB2 CYS A 9 1.312 -3.527 -6.450 1.00 1.57 H new ATOM 0 HB3 CYS A 9 2.105 -4.262 -7.829 1.00 1.57 H new ATOM 0 HG CYS A 9 -1.108 -3.757 -7.379 1.00 2.64 H new ATOM 174 N SER A 10 0.831 -7.569 -7.298 1.00 0.83 N ATOM 175 CA SER A 10 0.927 -8.937 -7.769 1.00 1.29 C ATOM 176 C SER A 10 1.441 -8.870 -9.191 1.00 0.84 C ATOM 177 O SER A 10 0.983 -8.066 -9.992 1.00 1.34 O ATOM 178 CB SER A 10 -0.454 -9.600 -7.705 1.00 2.36 C ATOM 179 OG SER A 10 -0.398 -10.964 -8.074 1.00 3.16 O ATOM 0 H SER A 10 -0.123 -7.230 -7.174 1.00 0.83 H new ATOM 0 HA SER A 10 1.601 -9.533 -7.154 1.00 1.29 H new ATOM 0 HB2 SER A 10 -0.853 -9.513 -6.694 1.00 2.36 H new ATOM 0 HB3 SER A 10 -1.142 -9.072 -8.366 1.00 2.36 H new ATOM 0 HG SER A 10 -1.295 -11.355 -8.020 1.00 3.16 H new ATOM 185 N ASN A 11 2.371 -9.752 -9.501 1.00 1.45 N ATOM 186 CA ASN A 11 3.586 -9.327 -10.196 1.00 1.79 C ATOM 187 C ASN A 11 3.422 -9.066 -11.683 1.00 1.40 C ATOM 188 O ASN A 11 3.101 -9.944 -12.482 1.00 1.83 O ATOM 189 CB ASN A 11 4.751 -10.306 -9.942 1.00 2.89 C ATOM 190 CG ASN A 11 4.649 -11.630 -10.686 1.00 3.45 C ATOM 191 OD1 ASN A 11 5.094 -11.747 -11.829 1.00 3.71 O ATOM 192 ND2 ASN A 11 4.112 -12.647 -10.033 1.00 4.02 N ATOM 0 H ASN A 11 2.319 -10.749 -9.291 1.00 1.45 H new ATOM 0 HA ASN A 11 3.822 -8.357 -9.759 1.00 1.79 H new ATOM 0 HB2 ASN A 11 5.684 -9.818 -10.224 1.00 2.89 H new ATOM 0 HB3 ASN A 11 4.808 -10.510 -8.873 1.00 2.89 H new ATOM 0 HD21 ASN A 11 4.056 -13.565 -10.475 1.00 4.02 H new ATOM 0 HD22 ASN A 11 3.753 -12.514 -9.087 1.00 4.02 H new ATOM 199 N GLY A 12 3.598 -7.791 -12.008 1.00 1.41 N ATOM 200 CA GLY A 12 3.805 -7.357 -13.371 1.00 1.36 C ATOM 201 C GLY A 12 4.732 -6.147 -13.443 1.00 1.49 C ATOM 202 O GLY A 12 5.172 -5.758 -14.524 1.00 2.34 O ATOM 0 H GLY A 12 3.600 -7.032 -11.327 1.00 1.41 H new ATOM 0 HA2 GLY A 12 4.229 -8.175 -13.953 1.00 1.36 H new ATOM 0 HA3 GLY A 12 2.845 -7.108 -13.823 1.00 1.36 H new ATOM 206 N GLY A 13 5.041 -5.561 -12.279 1.00 0.97 N ATOM 207 CA GLY A 13 5.635 -4.272 -12.215 1.00 1.26 C ATOM 208 C GLY A 13 6.650 -4.160 -11.104 1.00 0.84 C ATOM 209 O GLY A 13 7.124 -5.146 -10.544 1.00 0.89 O ATOM 0 H GLY A 13 4.875 -5.990 -11.368 1.00 0.97 H new ATOM 0 HA2 GLY A 13 6.117 -4.049 -13.167 1.00 1.26 H new ATOM 0 HA3 GLY A 13 4.857 -3.523 -12.069 1.00 1.26 H new ATOM 213 N HIS A 14 6.861 -2.930 -10.745 1.00 0.78 N ATOM 214 CA HIS A 14 8.007 -2.450 -10.015 1.00 0.61 C ATOM 215 C HIS A 14 7.469 -1.796 -8.769 1.00 0.61 C ATOM 216 O HIS A 14 6.306 -1.536 -8.713 1.00 0.92 O ATOM 217 CB HIS A 14 8.862 -1.492 -10.874 1.00 0.85 C ATOM 218 CG HIS A 14 8.109 -0.623 -11.853 1.00 0.75 C ATOM 219 ND1 HIS A 14 6.833 -0.161 -11.856 1.00 1.31 N flip ATOM 220 CD2 HIS A 14 8.693 -0.103 -12.986 1.00 1.07 C flip ATOM 221 CE1 HIS A 14 6.678 0.622 -12.973 1.00 1.17 C flip ATOM 222 NE2 HIS A 14 7.816 0.638 -13.636 1.00 0.95 N flip ATOM 0 H HIS A 14 6.200 -2.185 -10.965 1.00 0.78 H new ATOM 0 HA HIS A 14 8.682 -3.263 -9.749 1.00 0.61 H new ATOM 0 HB2 HIS A 14 9.427 -0.844 -10.205 1.00 0.85 H new ATOM 0 HB3 HIS A 14 9.587 -2.086 -11.430 1.00 0.85 H new ATOM 0 HD2 HIS A 14 9.713 -0.275 -13.296 1.00 1.07 H new ATOM 0 HE1 HIS A 14 5.774 1.139 -13.260 1.00 1.17 H new ATOM 0 HE2 HIS A 14 7.990 1.140 -14.507 1.00 0.95 H new ATOM 231 N PHE A 15 8.312 -1.488 -7.827 1.00 0.49 N ATOM 232 CA PHE A 15 7.958 -1.392 -6.417 1.00 0.45 C ATOM 233 C PHE A 15 7.463 0.000 -6.056 1.00 0.39 C ATOM 234 O PHE A 15 7.993 0.990 -6.544 1.00 0.41 O ATOM 235 CB PHE A 15 9.191 -1.734 -5.585 1.00 0.51 C ATOM 236 CG PHE A 15 9.998 -2.876 -6.143 1.00 0.83 C ATOM 237 CD1 PHE A 15 9.463 -4.151 -6.224 1.00 1.13 C ATOM 238 CD2 PHE A 15 11.292 -2.666 -6.597 1.00 1.15 C ATOM 239 CE1 PHE A 15 10.202 -5.196 -6.743 1.00 1.61 C ATOM 240 CE2 PHE A 15 12.035 -3.709 -7.118 1.00 1.62 C ATOM 241 CZ PHE A 15 11.489 -4.976 -7.191 1.00 1.82 C ATOM 0 H PHE A 15 9.295 -1.289 -8.010 1.00 0.49 H new ATOM 0 HA PHE A 15 7.147 -2.091 -6.210 1.00 0.45 H new ATOM 0 HB2 PHE A 15 9.827 -0.852 -5.514 1.00 0.51 H new ATOM 0 HB3 PHE A 15 8.877 -1.983 -4.571 1.00 0.51 H new ATOM 0 HD1 PHE A 15 8.456 -4.330 -5.877 1.00 1.13 H new ATOM 0 HD2 PHE A 15 11.723 -1.677 -6.543 1.00 1.15 H new ATOM 0 HE1 PHE A 15 9.773 -6.186 -6.798 1.00 1.61 H new ATOM 0 HE2 PHE A 15 13.042 -3.533 -7.468 1.00 1.62 H new ATOM 0 HZ PHE A 15 12.068 -5.792 -7.598 1.00 1.82 H new ATOM 251 N LEU A 16 6.489 0.079 -5.155 1.00 0.43 N ATOM 252 CA LEU A 16 5.788 1.321 -4.910 1.00 0.50 C ATOM 253 C LEU A 16 6.620 2.211 -3.998 1.00 0.48 C ATOM 254 O LEU A 16 6.953 1.875 -2.863 1.00 0.64 O ATOM 255 CB LEU A 16 4.451 1.019 -4.242 1.00 0.75 C ATOM 256 CG LEU A 16 3.324 2.007 -4.523 1.00 1.35 C ATOM 257 CD1 LEU A 16 2.630 1.664 -5.831 1.00 2.23 C ATOM 258 CD2 LEU A 16 2.330 2.014 -3.376 1.00 1.59 C ATOM 0 H LEU A 16 6.172 -0.706 -4.586 1.00 0.43 H new ATOM 0 HA LEU A 16 5.620 1.835 -5.856 1.00 0.50 H new ATOM 0 HB2 LEU A 16 4.125 0.028 -4.558 1.00 0.75 H new ATOM 0 HB3 LEU A 16 4.608 0.975 -3.164 1.00 0.75 H new ATOM 0 HG LEU A 16 3.752 3.005 -4.614 1.00 1.35 H new ATOM 0 HD11 LEU A 16 1.828 2.379 -6.016 1.00 2.23 H new ATOM 0 HD12 LEU A 16 3.351 1.707 -6.648 1.00 2.23 H new ATOM 0 HD13 LEU A 16 2.212 0.659 -5.769 1.00 2.23 H new ATOM 0 HD21 LEU A 16 1.531 2.724 -3.591 1.00 1.59 H new ATOM 0 HD22 LEU A 16 1.906 1.017 -3.256 1.00 1.59 H new ATOM 0 HD23 LEU A 16 2.837 2.306 -2.457 1.00 1.59 H new ATOM 270 N ARG A 17 6.944 3.346 -4.579 1.00 0.40 N ATOM 271 CA ARG A 17 7.987 4.258 -4.130 1.00 0.42 C ATOM 272 C ARG A 17 7.382 5.653 -4.035 1.00 0.35 C ATOM 273 O ARG A 17 6.449 5.946 -4.786 1.00 0.37 O ATOM 274 CB ARG A 17 9.080 4.210 -5.201 1.00 0.59 C ATOM 275 CG ARG A 17 10.261 5.137 -5.007 1.00 1.00 C ATOM 276 CD ARG A 17 10.973 5.319 -6.335 1.00 1.17 C ATOM 277 NE ARG A 17 12.414 5.516 -6.207 1.00 1.46 N ATOM 278 CZ ARG A 17 13.084 6.450 -6.876 1.00 1.93 C ATOM 279 NH1 ARG A 17 12.427 7.375 -7.563 1.00 2.43 N ATOM 280 NH2 ARG A 17 14.409 6.467 -6.848 1.00 2.61 N ATOM 0 H ARG A 17 6.468 3.678 -5.418 1.00 0.40 H new ATOM 0 HA ARG A 17 8.398 3.992 -3.156 1.00 0.42 H new ATOM 0 HB2 ARG A 17 9.455 3.188 -5.259 1.00 0.59 H new ATOM 0 HB3 ARG A 17 8.623 4.437 -6.164 1.00 0.59 H new ATOM 0 HG2 ARG A 17 9.924 6.101 -4.626 1.00 1.00 H new ATOM 0 HG3 ARG A 17 10.946 4.724 -4.267 1.00 1.00 H new ATOM 0 HD2 ARG A 17 10.789 4.444 -6.959 1.00 1.17 H new ATOM 0 HD3 ARG A 17 10.543 6.176 -6.853 1.00 1.17 H new ATOM 0 HE ARG A 17 12.932 4.907 -5.573 1.00 1.46 H new ATOM 0 HH11 ARG A 17 11.407 7.370 -7.578 1.00 2.43 H new ATOM 0 HH12 ARG A 17 12.942 8.091 -8.076 1.00 2.43 H new ATOM 0 HH21 ARG A 17 14.917 5.763 -6.313 1.00 2.61 H new ATOM 0 HH22 ARG A 17 14.921 7.184 -7.362 1.00 2.61 H new ATOM 294 N ILE A 18 7.871 6.529 -3.158 1.00 0.33 N ATOM 295 CA ILE A 18 7.280 7.842 -3.099 1.00 0.31 C ATOM 296 C ILE A 18 8.011 8.815 -4.001 1.00 0.32 C ATOM 297 O ILE A 18 9.243 8.818 -4.097 1.00 0.36 O ATOM 298 CB ILE A 18 7.268 8.424 -1.681 1.00 0.36 C ATOM 299 CG1 ILE A 18 8.684 8.759 -1.212 1.00 0.45 C ATOM 300 CG2 ILE A 18 6.606 7.454 -0.725 1.00 0.41 C ATOM 301 CD1 ILE A 18 8.727 9.793 -0.110 1.00 0.91 C ATOM 0 H ILE A 18 8.640 6.356 -2.511 1.00 0.33 H new ATOM 0 HA ILE A 18 6.251 7.713 -3.435 1.00 0.31 H new ATOM 0 HB ILE A 18 6.694 9.350 -1.696 1.00 0.36 H new ATOM 0 HG12 ILE A 18 9.167 7.847 -0.862 1.00 0.45 H new ATOM 0 HG13 ILE A 18 9.263 9.121 -2.061 1.00 0.45 H new ATOM 0 HG21 ILE A 18 6.603 7.878 0.279 1.00 0.41 H new ATOM 0 HG22 ILE A 18 5.580 7.271 -1.045 1.00 0.41 H new ATOM 0 HG23 ILE A 18 7.158 6.514 -0.721 1.00 0.41 H new ATOM 0 HD11 ILE A 18 9.763 9.981 0.172 1.00 0.91 H new ATOM 0 HD12 ILE A 18 8.273 10.719 -0.462 1.00 0.91 H new ATOM 0 HD13 ILE A 18 8.176 9.425 0.756 1.00 0.91 H new ATOM 313 N LEU A 19 7.225 9.604 -4.692 1.00 0.36 N ATOM 314 CA LEU A 19 7.726 10.706 -5.478 1.00 0.42 C ATOM 315 C LEU A 19 7.233 11.983 -4.826 1.00 0.41 C ATOM 316 O LEU A 19 6.145 11.997 -4.259 1.00 0.43 O ATOM 317 CB LEU A 19 7.224 10.621 -6.929 1.00 0.54 C ATOM 318 CG LEU A 19 7.643 9.369 -7.714 1.00 0.96 C ATOM 319 CD1 LEU A 19 6.796 8.163 -7.331 1.00 1.56 C ATOM 320 CD2 LEU A 19 7.549 9.627 -9.206 1.00 1.84 C ATOM 0 H LEU A 19 6.211 9.499 -4.725 1.00 0.36 H new ATOM 0 HA LEU A 19 8.815 10.680 -5.512 1.00 0.42 H new ATOM 0 HB2 LEU A 19 6.135 10.672 -6.919 1.00 0.54 H new ATOM 0 HB3 LEU A 19 7.580 11.499 -7.468 1.00 0.54 H new ATOM 0 HG LEU A 19 8.678 9.145 -7.457 1.00 0.96 H new ATOM 0 HD11 LEU A 19 7.119 7.294 -7.905 1.00 1.56 H new ATOM 0 HD12 LEU A 19 6.914 7.959 -6.267 1.00 1.56 H new ATOM 0 HD13 LEU A 19 5.748 8.371 -7.547 1.00 1.56 H new ATOM 0 HD21 LEU A 19 7.849 8.731 -9.750 1.00 1.84 H new ATOM 0 HD22 LEU A 19 6.522 9.883 -9.467 1.00 1.84 H new ATOM 0 HD23 LEU A 19 8.208 10.452 -9.475 1.00 1.84 H new ATOM 332 N PRO A 20 7.990 13.082 -4.918 1.00 0.54 N ATOM 333 CA PRO A 20 7.654 14.331 -4.219 1.00 0.67 C ATOM 334 C PRO A 20 6.477 15.053 -4.863 1.00 0.68 C ATOM 335 O PRO A 20 6.152 16.189 -4.513 1.00 0.84 O ATOM 336 CB PRO A 20 8.918 15.182 -4.379 1.00 0.89 C ATOM 337 CG PRO A 20 9.978 14.242 -4.847 1.00 0.96 C ATOM 338 CD PRO A 20 9.263 13.191 -5.639 1.00 0.70 C ATOM 0 HA PRO A 20 7.364 14.146 -3.185 1.00 0.67 H new ATOM 0 HB2 PRO A 20 8.761 15.985 -5.099 1.00 0.89 H new ATOM 0 HB3 PRO A 20 9.198 15.650 -3.435 1.00 0.89 H new ATOM 0 HG2 PRO A 20 10.718 14.758 -5.459 1.00 0.96 H new ATOM 0 HG3 PRO A 20 10.512 13.802 -4.005 1.00 0.96 H new ATOM 0 HD2 PRO A 20 9.120 13.489 -6.678 1.00 0.70 H new ATOM 0 HD3 PRO A 20 9.808 12.247 -5.651 1.00 0.70 H new ATOM 346 N ASP A 21 5.842 14.369 -5.796 1.00 0.62 N ATOM 347 CA ASP A 21 4.646 14.875 -6.454 1.00 0.78 C ATOM 348 C ASP A 21 3.391 14.412 -5.713 1.00 0.75 C ATOM 349 O ASP A 21 2.277 14.828 -6.033 1.00 0.99 O ATOM 350 CB ASP A 21 4.597 14.418 -7.916 1.00 0.94 C ATOM 351 CG ASP A 21 5.713 15.017 -8.755 1.00 1.51 C ATOM 352 OD1 ASP A 21 5.751 16.258 -8.910 1.00 1.71 O ATOM 353 OD2 ASP A 21 6.565 14.252 -9.259 1.00 2.30 O ATOM 0 H ASP A 21 6.138 13.448 -6.121 1.00 0.62 H new ATOM 0 HA ASP A 21 4.682 15.964 -6.434 1.00 0.78 H new ATOM 0 HB2 ASP A 21 4.662 13.331 -7.955 1.00 0.94 H new ATOM 0 HB3 ASP A 21 3.635 14.695 -8.347 1.00 0.94 H new ATOM 358 N GLY A 22 3.583 13.555 -4.712 1.00 0.59 N ATOM 359 CA GLY A 22 2.466 13.086 -3.906 1.00 0.72 C ATOM 360 C GLY A 22 2.010 11.694 -4.294 1.00 0.61 C ATOM 361 O GLY A 22 0.913 11.266 -3.936 1.00 0.81 O ATOM 0 H GLY A 22 4.492 13.177 -4.444 1.00 0.59 H new ATOM 0 HA2 GLY A 22 2.755 13.090 -2.855 1.00 0.72 H new ATOM 0 HA3 GLY A 22 1.632 13.780 -4.010 1.00 0.72 H new ATOM 365 N THR A 23 2.859 10.971 -4.996 1.00 0.43 N ATOM 366 CA THR A 23 2.507 9.697 -5.546 1.00 0.39 C ATOM 367 C THR A 23 3.266 8.596 -4.866 1.00 0.40 C ATOM 368 O THR A 23 4.457 8.744 -4.582 1.00 0.46 O ATOM 369 CB THR A 23 2.921 9.626 -7.004 1.00 0.44 C ATOM 370 OG1 THR A 23 3.200 10.945 -7.503 1.00 0.49 O ATOM 371 CG2 THR A 23 1.844 8.974 -7.845 1.00 0.59 C ATOM 0 H THR A 23 3.816 11.261 -5.197 1.00 0.43 H new ATOM 0 HA THR A 23 1.431 9.582 -5.416 1.00 0.39 H new ATOM 0 HB THR A 23 3.823 9.017 -7.071 1.00 0.44 H new ATOM 0 HG1 THR A 23 3.468 10.889 -8.444 1.00 0.49 H new ATOM 0 HG21 THR A 23 2.168 8.936 -8.885 1.00 0.59 H new ATOM 0 HG22 THR A 23 1.664 7.961 -7.484 1.00 0.59 H new ATOM 0 HG23 THR A 23 0.924 9.554 -7.772 1.00 0.59 H new ATOM 379 N VAL A 24 2.605 7.493 -4.620 1.00 0.47 N ATOM 380 CA VAL A 24 3.338 6.289 -4.332 1.00 0.56 C ATOM 381 C VAL A 24 3.050 5.270 -5.446 1.00 0.42 C ATOM 382 O VAL A 24 1.951 4.728 -5.585 1.00 0.50 O ATOM 383 CB VAL A 24 3.031 5.763 -2.915 1.00 0.91 C ATOM 384 CG1 VAL A 24 1.626 5.231 -2.829 1.00 0.97 C ATOM 385 CG2 VAL A 24 4.057 4.727 -2.482 1.00 1.61 C ATOM 0 H VAL A 24 1.589 7.404 -4.613 1.00 0.47 H new ATOM 0 HA VAL A 24 4.409 6.489 -4.325 1.00 0.56 H new ATOM 0 HB VAL A 24 3.103 6.599 -2.220 1.00 0.91 H new ATOM 0 HG11 VAL A 24 1.436 4.867 -1.819 1.00 0.97 H new ATOM 0 HG12 VAL A 24 0.920 6.027 -3.066 1.00 0.97 H new ATOM 0 HG13 VAL A 24 1.502 4.413 -3.539 1.00 0.97 H new ATOM 0 HG21 VAL A 24 3.816 4.373 -1.479 1.00 1.61 H new ATOM 0 HG22 VAL A 24 4.041 3.887 -3.177 1.00 1.61 H new ATOM 0 HG23 VAL A 24 5.050 5.177 -2.479 1.00 1.61 H new ATOM 395 N ASP A 25 4.055 5.096 -6.281 1.00 0.37 N ATOM 396 CA ASP A 25 3.957 4.333 -7.539 1.00 0.37 C ATOM 397 C ASP A 25 5.044 3.296 -7.654 1.00 0.39 C ATOM 398 O ASP A 25 6.132 3.489 -7.117 1.00 0.43 O ATOM 399 CB ASP A 25 4.106 5.285 -8.728 1.00 0.48 C ATOM 400 CG ASP A 25 2.814 5.629 -9.426 1.00 0.80 C ATOM 401 OD1 ASP A 25 1.801 5.878 -8.744 1.00 1.16 O ATOM 402 OD2 ASP A 25 2.820 5.681 -10.683 1.00 1.10 O ATOM 0 H ASP A 25 4.984 5.482 -6.114 1.00 0.37 H new ATOM 0 HA ASP A 25 2.986 3.838 -7.539 1.00 0.37 H new ATOM 0 HB2 ASP A 25 4.572 6.207 -8.381 1.00 0.48 H new ATOM 0 HB3 ASP A 25 4.786 4.836 -9.452 1.00 0.48 H new ATOM 407 N GLY A 26 4.776 2.205 -8.380 1.00 0.38 N ATOM 408 CA GLY A 26 5.840 1.291 -8.660 1.00 0.40 C ATOM 409 C GLY A 26 6.938 1.899 -9.512 1.00 0.42 C ATOM 410 O GLY A 26 6.699 2.593 -10.500 1.00 0.52 O ATOM 0 H GLY A 26 3.864 1.957 -8.762 1.00 0.38 H new ATOM 0 HA2 GLY A 26 6.268 0.943 -7.720 1.00 0.40 H new ATOM 0 HA3 GLY A 26 5.435 0.417 -9.169 1.00 0.40 H new ATOM 414 N THR A 27 8.136 1.615 -9.075 1.00 0.42 N ATOM 415 CA THR A 27 9.381 2.035 -9.669 1.00 0.50 C ATOM 416 C THR A 27 10.383 0.974 -9.285 1.00 0.54 C ATOM 417 O THR A 27 10.246 0.436 -8.187 1.00 0.56 O ATOM 418 CB THR A 27 9.813 3.397 -9.102 1.00 0.57 C ATOM 419 OG1 THR A 27 8.817 4.390 -9.382 1.00 0.67 O ATOM 420 CG2 THR A 27 11.145 3.818 -9.681 1.00 0.70 C ATOM 0 H THR A 27 8.279 1.047 -8.240 1.00 0.42 H new ATOM 0 HA THR A 27 9.296 2.148 -10.750 1.00 0.50 H new ATOM 0 HB THR A 27 9.921 3.300 -8.022 1.00 0.57 H new ATOM 0 HG1 THR A 27 9.103 5.252 -9.015 1.00 0.67 H new ATOM 0 HG21 THR A 27 11.433 4.784 -9.267 1.00 0.70 H new ATOM 0 HG22 THR A 27 11.902 3.075 -9.429 1.00 0.70 H new ATOM 0 HG23 THR A 27 11.062 3.898 -10.765 1.00 0.70 H new ATOM 428 N ARG A 28 11.370 0.596 -10.074 1.00 0.64 N ATOM 429 CA ARG A 28 12.313 -0.266 -9.414 1.00 0.71 C ATOM 430 C ARG A 28 13.470 0.562 -8.920 1.00 0.65 C ATOM 431 O ARG A 28 14.307 1.044 -9.681 1.00 0.72 O ATOM 432 CB ARG A 28 12.772 -1.441 -10.286 1.00 0.91 C ATOM 433 CG ARG A 28 13.306 -1.079 -11.659 1.00 1.56 C ATOM 434 CD ARG A 28 13.822 -2.325 -12.357 1.00 1.84 C ATOM 435 NE ARG A 28 14.149 -2.097 -13.759 1.00 2.32 N ATOM 436 CZ ARG A 28 14.104 -3.047 -14.689 1.00 2.92 C ATOM 437 NH1 ARG A 28 13.761 -4.288 -14.360 1.00 3.18 N ATOM 438 NH2 ARG A 28 14.405 -2.752 -15.945 1.00 3.76 N ATOM 0 H ARG A 28 11.529 0.837 -11.052 1.00 0.64 H new ATOM 0 HA ARG A 28 11.813 -0.731 -8.564 1.00 0.71 H new ATOM 0 HB2 ARG A 28 13.548 -1.986 -9.748 1.00 0.91 H new ATOM 0 HB3 ARG A 28 11.932 -2.124 -10.413 1.00 0.91 H new ATOM 0 HG2 ARG A 28 12.519 -0.617 -12.255 1.00 1.56 H new ATOM 0 HG3 ARG A 28 14.107 -0.346 -11.566 1.00 1.56 H new ATOM 0 HD2 ARG A 28 14.709 -2.686 -11.836 1.00 1.84 H new ATOM 0 HD3 ARG A 28 13.070 -3.111 -12.288 1.00 1.84 H new ATOM 0 HE ARG A 28 14.428 -1.158 -14.042 1.00 2.32 H new ATOM 0 HH11 ARG A 28 13.531 -4.514 -13.392 1.00 3.18 H new ATOM 0 HH12 ARG A 28 13.727 -5.014 -15.075 1.00 3.18 H new ATOM 0 HH21 ARG A 28 14.670 -1.799 -16.196 1.00 3.76 H new ATOM 0 HH22 ARG A 28 14.372 -3.477 -16.661 1.00 3.76 H new ATOM 452 N ASP A 29 13.461 0.736 -7.614 1.00 0.68 N ATOM 453 CA ASP A 29 14.582 1.261 -6.870 1.00 0.69 C ATOM 454 C ASP A 29 14.586 0.664 -5.473 1.00 0.81 C ATOM 455 O ASP A 29 13.719 0.966 -4.679 1.00 1.48 O ATOM 456 CB ASP A 29 14.483 2.793 -6.809 1.00 1.04 C ATOM 457 CG ASP A 29 15.417 3.429 -5.795 1.00 1.58 C ATOM 458 OD1 ASP A 29 16.571 2.941 -5.663 1.00 1.84 O ATOM 459 OD2 ASP A 29 15.003 4.389 -5.114 1.00 2.20 O ATOM 0 H ASP A 29 12.656 0.511 -7.030 1.00 0.68 H new ATOM 0 HA ASP A 29 15.516 0.993 -7.365 1.00 0.69 H new ATOM 0 HB2 ASP A 29 14.701 3.201 -7.796 1.00 1.04 H new ATOM 0 HB3 ASP A 29 13.457 3.072 -6.569 1.00 1.04 H new ATOM 464 N ARG A 30 15.544 -0.163 -5.162 1.00 0.62 N ATOM 465 CA ARG A 30 15.801 -0.518 -3.780 1.00 0.91 C ATOM 466 C ARG A 30 17.265 -0.277 -3.500 1.00 1.03 C ATOM 467 O ARG A 30 17.841 -0.783 -2.535 1.00 1.18 O ATOM 468 CB ARG A 30 15.378 -1.959 -3.441 1.00 1.63 C ATOM 469 CG ARG A 30 16.103 -3.058 -4.202 1.00 2.20 C ATOM 470 CD ARG A 30 15.620 -3.180 -5.637 1.00 2.58 C ATOM 471 NE ARG A 30 16.023 -4.449 -6.229 1.00 3.27 N ATOM 472 CZ ARG A 30 17.091 -4.605 -7.009 1.00 3.80 C ATOM 473 NH1 ARG A 30 17.838 -3.558 -7.339 1.00 3.96 N ATOM 474 NH2 ARG A 30 17.399 -5.809 -7.466 1.00 4.57 N ATOM 0 H ARG A 30 16.163 -0.607 -5.840 1.00 0.62 H new ATOM 0 HA ARG A 30 15.189 0.110 -3.133 1.00 0.91 H new ATOM 0 HB2 ARG A 30 15.530 -2.121 -2.374 1.00 1.63 H new ATOM 0 HB3 ARG A 30 14.309 -2.057 -3.629 1.00 1.63 H new ATOM 0 HG2 ARG A 30 17.174 -2.855 -4.197 1.00 2.20 H new ATOM 0 HG3 ARG A 30 15.957 -4.009 -3.690 1.00 2.20 H new ATOM 0 HD2 ARG A 30 14.534 -3.093 -5.665 1.00 2.58 H new ATOM 0 HD3 ARG A 30 16.022 -2.357 -6.229 1.00 2.58 H new ATOM 0 HE ARG A 30 15.451 -5.270 -6.033 1.00 3.27 H new ATOM 0 HH11 ARG A 30 17.595 -2.629 -6.995 1.00 3.96 H new ATOM 0 HH12 ARG A 30 18.655 -3.683 -7.937 1.00 3.96 H new ATOM 0 HH21 ARG A 30 16.819 -6.611 -7.220 1.00 4.57 H new ATOM 0 HH22 ARG A 30 18.216 -5.934 -8.064 1.00 4.57 H new ATOM 488 N SER A 31 17.853 0.514 -4.380 1.00 1.72 N ATOM 489 CA SER A 31 19.226 0.929 -4.246 1.00 2.60 C ATOM 490 C SER A 31 19.291 2.181 -3.390 1.00 2.41 C ATOM 491 O SER A 31 20.332 2.497 -2.809 1.00 2.90 O ATOM 492 CB SER A 31 19.829 1.185 -5.625 1.00 3.49 C ATOM 493 OG SER A 31 19.724 0.032 -6.445 1.00 4.00 O ATOM 0 H SER A 31 17.385 0.884 -5.207 1.00 1.72 H new ATOM 0 HA SER A 31 19.803 0.141 -3.762 1.00 2.60 H new ATOM 0 HB2 SER A 31 19.318 2.022 -6.100 1.00 3.49 H new ATOM 0 HB3 SER A 31 20.876 1.469 -5.522 1.00 3.49 H new ATOM 0 HG SER A 31 20.115 0.219 -7.324 1.00 4.00 H new ATOM 499 N ASP A 32 18.178 2.906 -3.314 1.00 1.76 N ATOM 500 CA ASP A 32 18.112 4.056 -2.450 1.00 1.59 C ATOM 501 C ASP A 32 17.001 3.838 -1.448 1.00 1.18 C ATOM 502 O ASP A 32 16.360 2.786 -1.434 1.00 1.25 O ATOM 503 CB ASP A 32 17.880 5.328 -3.273 1.00 1.59 C ATOM 504 CG ASP A 32 18.378 6.586 -2.577 1.00 1.92 C ATOM 505 OD1 ASP A 32 17.694 7.068 -1.652 1.00 2.37 O ATOM 506 OD2 ASP A 32 19.458 7.089 -2.941 1.00 2.08 O ATOM 0 H ASP A 32 17.325 2.712 -3.838 1.00 1.76 H new ATOM 0 HA ASP A 32 19.055 4.183 -1.918 1.00 1.59 H new ATOM 0 HB2 ASP A 32 18.383 5.228 -4.235 1.00 1.59 H new ATOM 0 HB3 ASP A 32 16.815 5.431 -3.479 1.00 1.59 H new ATOM 511 N GLN A 33 16.753 4.832 -0.639 1.00 1.02 N ATOM 512 CA GLN A 33 15.765 4.723 0.401 1.00 0.76 C ATOM 513 C GLN A 33 14.506 5.504 0.044 1.00 0.55 C ATOM 514 O GLN A 33 14.272 6.590 0.551 1.00 0.72 O ATOM 515 CB GLN A 33 16.367 5.182 1.727 1.00 1.03 C ATOM 516 CG GLN A 33 16.941 6.590 1.703 1.00 1.73 C ATOM 517 CD GLN A 33 17.148 7.153 3.092 1.00 2.18 C ATOM 518 OE1 GLN A 33 18.214 6.997 3.691 1.00 2.42 O ATOM 519 NE2 GLN A 33 16.122 7.801 3.619 1.00 2.92 N ATOM 0 H GLN A 33 17.226 5.735 -0.681 1.00 1.02 H new ATOM 0 HA GLN A 33 15.466 3.680 0.505 1.00 0.76 H new ATOM 0 HB2 GLN A 33 15.599 5.129 2.498 1.00 1.03 H new ATOM 0 HB3 GLN A 33 17.155 4.486 2.014 1.00 1.03 H new ATOM 0 HG2 GLN A 33 17.893 6.582 1.172 1.00 1.73 H new ATOM 0 HG3 GLN A 33 16.270 7.243 1.145 1.00 1.73 H new ATOM 0 HE21 GLN A 33 15.258 7.907 3.087 1.00 2.92 H new ATOM 0 HE22 GLN A 33 16.195 8.195 4.557 1.00 2.92 H new ATOM 528 N HIS A 34 13.695 4.965 -0.849 1.00 0.44 N ATOM 529 CA HIS A 34 12.469 5.653 -1.241 1.00 0.36 C ATOM 530 C HIS A 34 11.249 4.745 -1.115 1.00 0.32 C ATOM 531 O HIS A 34 10.134 5.211 -0.912 1.00 0.37 O ATOM 532 CB HIS A 34 12.578 6.156 -2.683 1.00 0.57 C ATOM 533 CG HIS A 34 13.725 7.086 -2.929 1.00 0.85 C ATOM 534 ND1 HIS A 34 14.770 6.783 -3.775 1.00 1.54 N ATOM 535 CD2 HIS A 34 13.973 8.332 -2.462 1.00 1.29 C ATOM 536 CE1 HIS A 34 15.606 7.803 -3.817 1.00 1.61 C ATOM 537 NE2 HIS A 34 15.148 8.756 -3.029 1.00 1.34 N ATOM 0 H HIS A 34 13.855 4.070 -1.311 1.00 0.44 H new ATOM 0 HA HIS A 34 12.341 6.498 -0.565 1.00 0.36 H new ATOM 0 HB2 HIS A 34 12.673 5.298 -3.348 1.00 0.57 H new ATOM 0 HB3 HIS A 34 11.651 6.664 -2.949 1.00 0.57 H new ATOM 0 HD1 HIS A 34 14.880 5.908 -4.288 1.00 1.54 H new ATOM 0 HD2 HIS A 34 13.359 8.890 -1.770 1.00 1.29 H new ATOM 0 HE1 HIS A 34 16.514 7.850 -4.400 1.00 1.61 H new ATOM 546 N ILE A 35 11.472 3.455 -1.265 1.00 0.38 N ATOM 547 CA ILE A 35 10.386 2.483 -1.361 1.00 0.45 C ATOM 548 C ILE A 35 9.964 1.868 -0.020 1.00 0.46 C ATOM 549 O ILE A 35 9.141 0.954 -0.002 1.00 0.63 O ATOM 550 CB ILE A 35 10.760 1.345 -2.336 1.00 0.63 C ATOM 551 CG1 ILE A 35 11.773 0.354 -1.716 1.00 1.16 C ATOM 552 CG2 ILE A 35 11.315 1.937 -3.621 1.00 1.51 C ATOM 553 CD1 ILE A 35 13.146 0.928 -1.417 1.00 2.04 C ATOM 0 H ILE A 35 12.404 3.046 -1.324 1.00 0.38 H new ATOM 0 HA ILE A 35 9.532 3.050 -1.732 1.00 0.45 H new ATOM 0 HB ILE A 35 9.854 0.779 -2.553 1.00 0.63 H new ATOM 0 HG12 ILE A 35 11.352 -0.038 -0.790 1.00 1.16 H new ATOM 0 HG13 ILE A 35 11.891 -0.491 -2.395 1.00 1.16 H new ATOM 0 HG21 ILE A 35 11.578 1.133 -4.308 1.00 1.51 H new ATOM 0 HG22 ILE A 35 10.562 2.576 -4.082 1.00 1.51 H new ATOM 0 HG23 ILE A 35 12.203 2.527 -3.396 1.00 1.51 H new ATOM 0 HD11 ILE A 35 13.779 0.152 -0.986 1.00 2.04 H new ATOM 0 HD12 ILE A 35 13.597 1.292 -2.340 1.00 2.04 H new ATOM 0 HD13 ILE A 35 13.050 1.752 -0.710 1.00 2.04 H new ATOM 565 N GLN A 36 10.500 2.341 1.097 1.00 0.38 N ATOM 566 CA GLN A 36 10.306 1.612 2.348 1.00 0.37 C ATOM 567 C GLN A 36 9.141 2.158 3.179 1.00 0.35 C ATOM 568 O GLN A 36 9.264 3.148 3.919 1.00 0.35 O ATOM 569 CB GLN A 36 11.594 1.605 3.181 1.00 0.43 C ATOM 570 CG GLN A 36 12.000 2.958 3.750 1.00 0.52 C ATOM 571 CD GLN A 36 12.620 3.868 2.725 1.00 0.71 C ATOM 572 OE1 GLN A 36 13.822 3.840 2.514 1.00 1.17 O ATOM 573 NE2 GLN A 36 11.805 4.695 2.097 1.00 1.29 N ATOM 0 H GLN A 36 11.054 3.195 1.167 1.00 0.38 H new ATOM 0 HA GLN A 36 10.051 0.589 2.072 1.00 0.37 H new ATOM 0 HB2 GLN A 36 11.472 0.903 4.006 1.00 0.43 H new ATOM 0 HB3 GLN A 36 12.408 1.230 2.561 1.00 0.43 H new ATOM 0 HG2 GLN A 36 11.122 3.445 4.175 1.00 0.52 H new ATOM 0 HG3 GLN A 36 12.706 2.805 4.566 1.00 0.52 H new ATOM 0 HE21 GLN A 36 10.807 4.683 2.305 1.00 1.29 H new ATOM 0 HE22 GLN A 36 12.174 5.346 1.403 1.00 1.29 H new ATOM 582 N LEU A 37 8.024 1.465 3.122 1.00 0.36 N ATOM 583 CA LEU A 37 6.877 1.842 3.918 1.00 0.35 C ATOM 584 C LEU A 37 6.651 0.836 5.021 1.00 0.37 C ATOM 585 O LEU A 37 6.776 -0.369 4.826 1.00 0.48 O ATOM 586 CB LEU A 37 5.627 2.034 3.057 1.00 0.38 C ATOM 587 CG LEU A 37 5.534 1.169 1.790 1.00 0.45 C ATOM 588 CD1 LEU A 37 5.141 -0.259 2.130 1.00 0.94 C ATOM 589 CD2 LEU A 37 4.545 1.769 0.804 1.00 0.94 C ATOM 0 H LEU A 37 7.886 0.642 2.536 1.00 0.36 H new ATOM 0 HA LEU A 37 7.086 2.807 4.379 1.00 0.35 H new ATOM 0 HB2 LEU A 37 4.752 1.832 3.674 1.00 0.38 H new ATOM 0 HB3 LEU A 37 5.573 3.082 2.761 1.00 0.38 H new ATOM 0 HG LEU A 37 6.520 1.148 1.326 1.00 0.45 H new ATOM 0 HD11 LEU A 37 5.083 -0.848 1.215 1.00 0.94 H new ATOM 0 HD12 LEU A 37 5.888 -0.694 2.794 1.00 0.94 H new ATOM 0 HD13 LEU A 37 4.170 -0.261 2.625 1.00 0.94 H new ATOM 0 HD21 LEU A 37 4.493 1.142 -0.086 1.00 0.94 H new ATOM 0 HD22 LEU A 37 3.559 1.825 1.266 1.00 0.94 H new ATOM 0 HD23 LEU A 37 4.872 2.770 0.524 1.00 0.94 H new ATOM 601 N GLN A 38 6.326 1.338 6.183 1.00 0.34 N ATOM 602 CA GLN A 38 6.237 0.507 7.356 1.00 0.39 C ATOM 603 C GLN A 38 4.793 0.037 7.501 1.00 0.40 C ATOM 604 O GLN A 38 3.904 0.816 7.834 1.00 0.41 O ATOM 605 CB GLN A 38 6.728 1.314 8.570 1.00 0.45 C ATOM 606 CG GLN A 38 7.244 0.476 9.737 1.00 0.93 C ATOM 607 CD GLN A 38 6.160 -0.318 10.438 1.00 1.37 C ATOM 608 OE1 GLN A 38 5.492 0.190 11.337 1.00 2.05 O ATOM 609 NE2 GLN A 38 6.003 -1.577 10.061 1.00 2.12 N ATOM 0 H GLN A 38 6.117 2.323 6.343 1.00 0.34 H new ATOM 0 HA GLN A 38 6.868 -0.378 7.278 1.00 0.39 H new ATOM 0 HB2 GLN A 38 7.524 1.984 8.244 1.00 0.45 H new ATOM 0 HB3 GLN A 38 5.910 1.940 8.926 1.00 0.45 H new ATOM 0 HG2 GLN A 38 8.007 -0.211 9.371 1.00 0.93 H new ATOM 0 HG3 GLN A 38 7.727 1.133 10.460 1.00 0.93 H new ATOM 0 HE21 GLN A 38 6.578 -1.960 9.310 1.00 2.12 H new ATOM 0 HE22 GLN A 38 5.307 -2.164 10.521 1.00 2.12 H new ATOM 618 N LEU A 39 4.576 -1.237 7.211 1.00 0.43 N ATOM 619 CA LEU A 39 3.239 -1.803 7.167 1.00 0.46 C ATOM 620 C LEU A 39 3.015 -2.779 8.307 1.00 0.55 C ATOM 621 O LEU A 39 3.405 -3.946 8.229 1.00 0.77 O ATOM 622 CB LEU A 39 3.009 -2.505 5.826 1.00 0.61 C ATOM 623 CG LEU A 39 2.429 -1.623 4.723 1.00 1.05 C ATOM 624 CD1 LEU A 39 2.409 -2.367 3.396 1.00 1.75 C ATOM 625 CD2 LEU A 39 1.026 -1.183 5.111 1.00 1.45 C ATOM 0 H LEU A 39 5.319 -1.904 7.001 1.00 0.43 H new ATOM 0 HA LEU A 39 2.525 -0.986 7.275 1.00 0.46 H new ATOM 0 HB2 LEU A 39 3.958 -2.914 5.481 1.00 0.61 H new ATOM 0 HB3 LEU A 39 2.337 -3.349 5.986 1.00 0.61 H new ATOM 0 HG LEU A 39 3.059 -0.742 4.603 1.00 1.05 H new ATOM 0 HD11 LEU A 39 1.992 -1.721 2.623 1.00 1.75 H new ATOM 0 HD12 LEU A 39 3.425 -2.651 3.123 1.00 1.75 H new ATOM 0 HD13 LEU A 39 1.795 -3.263 3.490 1.00 1.75 H new ATOM 0 HD21 LEU A 39 0.611 -0.553 4.324 1.00 1.45 H new ATOM 0 HD22 LEU A 39 0.393 -2.061 5.245 1.00 1.45 H new ATOM 0 HD23 LEU A 39 1.066 -0.619 6.043 1.00 1.45 H new ATOM 637 N SER A 40 2.406 -2.295 9.374 1.00 0.46 N ATOM 638 CA SER A 40 2.087 -3.134 10.515 1.00 0.56 C ATOM 639 C SER A 40 0.582 -3.350 10.629 1.00 0.42 C ATOM 640 O SER A 40 -0.210 -2.590 10.069 1.00 0.37 O ATOM 641 CB SER A 40 2.624 -2.508 11.804 1.00 0.71 C ATOM 642 OG SER A 40 4.040 -2.445 11.790 1.00 1.38 O ATOM 0 H SER A 40 2.121 -1.321 9.474 1.00 0.46 H new ATOM 0 HA SER A 40 2.564 -4.102 10.365 1.00 0.56 H new ATOM 0 HB2 SER A 40 2.214 -1.505 11.923 1.00 0.71 H new ATOM 0 HB3 SER A 40 2.291 -3.093 12.662 1.00 0.71 H new ATOM 0 HG SER A 40 4.405 -3.337 11.611 1.00 1.38 H new ATOM 648 N ALA A 41 0.212 -4.393 11.355 1.00 0.56 N ATOM 649 CA ALA A 41 -1.171 -4.629 11.724 1.00 0.56 C ATOM 650 C ALA A 41 -1.272 -4.531 13.231 1.00 0.64 C ATOM 651 O ALA A 41 -0.973 -5.482 13.950 1.00 0.84 O ATOM 652 CB ALA A 41 -1.632 -5.996 11.247 1.00 0.89 C ATOM 0 H ALA A 41 0.862 -5.097 11.704 1.00 0.56 H new ATOM 0 HA ALA A 41 -1.815 -3.887 11.252 1.00 0.56 H new ATOM 0 HB1 ALA A 41 -2.672 -6.150 11.535 1.00 0.89 H new ATOM 0 HB2 ALA A 41 -1.544 -6.051 10.162 1.00 0.89 H new ATOM 0 HB3 ALA A 41 -1.011 -6.768 11.701 1.00 0.89 H new ATOM 658 N GLU A 42 -1.683 -3.372 13.699 1.00 0.92 N ATOM 659 CA GLU A 42 -1.567 -3.039 15.109 1.00 1.34 C ATOM 660 C GLU A 42 -2.894 -3.224 15.833 1.00 1.34 C ATOM 661 O GLU A 42 -2.926 -3.627 16.996 1.00 1.64 O ATOM 662 CB GLU A 42 -1.054 -1.607 15.245 1.00 1.88 C ATOM 663 CG GLU A 42 0.172 -1.347 14.377 1.00 2.46 C ATOM 664 CD GLU A 42 0.639 0.089 14.421 1.00 2.62 C ATOM 665 OE1 GLU A 42 -0.166 0.987 14.105 1.00 3.12 O ATOM 666 OE2 GLU A 42 1.820 0.318 14.760 1.00 2.70 O ATOM 0 H GLU A 42 -2.102 -2.640 13.125 1.00 0.92 H new ATOM 0 HA GLU A 42 -0.855 -3.718 15.578 1.00 1.34 H new ATOM 0 HB2 GLU A 42 -1.846 -0.912 14.968 1.00 1.88 H new ATOM 0 HB3 GLU A 42 -0.807 -1.410 16.288 1.00 1.88 H new ATOM 0 HG2 GLU A 42 0.984 -1.997 14.703 1.00 2.46 H new ATOM 0 HG3 GLU A 42 -0.057 -1.616 13.346 1.00 2.46 H new ATOM 673 N SER A 43 -3.987 -2.939 15.140 1.00 1.09 N ATOM 674 CA SER A 43 -5.308 -3.202 15.679 1.00 1.14 C ATOM 675 C SER A 43 -5.912 -4.385 14.943 1.00 1.00 C ATOM 676 O SER A 43 -5.471 -4.734 13.846 1.00 1.09 O ATOM 677 CB SER A 43 -6.202 -1.968 15.541 1.00 1.24 C ATOM 678 OG SER A 43 -5.528 -0.796 15.972 1.00 1.59 O ATOM 0 H SER A 43 -3.983 -2.527 14.207 1.00 1.09 H new ATOM 0 HA SER A 43 -5.228 -3.436 16.741 1.00 1.14 H new ATOM 0 HB2 SER A 43 -6.509 -1.853 14.502 1.00 1.24 H new ATOM 0 HB3 SER A 43 -7.110 -2.106 16.128 1.00 1.24 H new ATOM 0 HG SER A 43 -6.121 -0.022 15.872 1.00 1.59 H new ATOM 684 N VAL A 44 -6.897 -5.018 15.553 1.00 0.92 N ATOM 685 CA VAL A 44 -7.533 -6.165 14.939 1.00 0.91 C ATOM 686 C VAL A 44 -8.132 -5.792 13.587 1.00 0.77 C ATOM 687 O VAL A 44 -9.000 -4.929 13.490 1.00 0.79 O ATOM 688 CB VAL A 44 -8.621 -6.754 15.859 1.00 1.07 C ATOM 689 CG1 VAL A 44 -7.980 -7.471 17.038 1.00 1.85 C ATOM 690 CG2 VAL A 44 -9.576 -5.672 16.350 1.00 1.83 C ATOM 0 H VAL A 44 -7.271 -4.759 16.466 1.00 0.92 H new ATOM 0 HA VAL A 44 -6.767 -6.925 14.783 1.00 0.91 H new ATOM 0 HB VAL A 44 -9.201 -7.473 15.280 1.00 1.07 H new ATOM 0 HG11 VAL A 44 -8.758 -7.883 17.680 1.00 1.85 H new ATOM 0 HG12 VAL A 44 -7.347 -8.279 16.672 1.00 1.85 H new ATOM 0 HG13 VAL A 44 -7.375 -6.766 17.608 1.00 1.85 H new ATOM 0 HG21 VAL A 44 -10.331 -6.119 16.996 1.00 1.83 H new ATOM 0 HG22 VAL A 44 -9.018 -4.921 16.910 1.00 1.83 H new ATOM 0 HG23 VAL A 44 -10.062 -5.201 15.496 1.00 1.83 H new ATOM 700 N GLY A 45 -7.610 -6.400 12.540 1.00 0.73 N ATOM 701 CA GLY A 45 -8.149 -6.187 11.214 1.00 0.67 C ATOM 702 C GLY A 45 -7.753 -4.838 10.649 1.00 0.54 C ATOM 703 O GLY A 45 -8.165 -4.467 9.555 1.00 0.56 O ATOM 0 H GLY A 45 -6.818 -7.041 12.582 1.00 0.73 H new ATOM 0 HA2 GLY A 45 -7.797 -6.976 10.549 1.00 0.67 H new ATOM 0 HA3 GLY A 45 -9.236 -6.260 11.249 1.00 0.67 H new ATOM 707 N GLU A 46 -6.964 -4.095 11.402 1.00 0.56 N ATOM 708 CA GLU A 46 -6.523 -2.795 10.995 1.00 0.50 C ATOM 709 C GLU A 46 -5.036 -2.791 10.677 1.00 0.40 C ATOM 710 O GLU A 46 -4.218 -3.355 11.408 1.00 0.48 O ATOM 711 CB GLU A 46 -6.863 -1.801 12.095 1.00 0.75 C ATOM 712 CG GLU A 46 -5.929 -0.628 12.164 1.00 1.02 C ATOM 713 CD GLU A 46 -6.302 0.455 11.174 1.00 1.35 C ATOM 714 OE1 GLU A 46 -6.824 0.114 10.095 1.00 1.80 O ATOM 715 OE2 GLU A 46 -6.124 1.645 11.499 1.00 1.67 O ATOM 0 H GLU A 46 -6.615 -4.387 12.315 1.00 0.56 H new ATOM 0 HA GLU A 46 -7.036 -2.506 10.078 1.00 0.50 H new ATOM 0 HB2 GLU A 46 -7.878 -1.436 11.940 1.00 0.75 H new ATOM 0 HB3 GLU A 46 -6.853 -2.318 13.054 1.00 0.75 H new ATOM 0 HG2 GLU A 46 -5.939 -0.216 13.173 1.00 1.02 H new ATOM 0 HG3 GLU A 46 -4.911 -0.964 11.967 1.00 1.02 H new ATOM 722 N VAL A 47 -4.711 -2.168 9.566 1.00 0.33 N ATOM 723 CA VAL A 47 -3.332 -2.042 9.123 1.00 0.33 C ATOM 724 C VAL A 47 -2.953 -0.588 8.984 1.00 0.33 C ATOM 725 O VAL A 47 -3.755 0.238 8.546 1.00 0.36 O ATOM 726 CB VAL A 47 -3.016 -2.772 7.806 1.00 0.40 C ATOM 727 CG1 VAL A 47 -2.964 -4.273 8.026 1.00 0.46 C ATOM 728 CG2 VAL A 47 -4.021 -2.414 6.725 1.00 0.48 C ATOM 0 H VAL A 47 -5.391 -1.734 8.942 1.00 0.33 H new ATOM 0 HA VAL A 47 -2.739 -2.527 9.898 1.00 0.33 H new ATOM 0 HB VAL A 47 -2.034 -2.443 7.465 1.00 0.40 H new ATOM 0 HG11 VAL A 47 -2.739 -4.771 7.083 1.00 0.46 H new ATOM 0 HG12 VAL A 47 -2.188 -4.507 8.754 1.00 0.46 H new ATOM 0 HG13 VAL A 47 -3.928 -4.620 8.399 1.00 0.46 H new ATOM 0 HG21 VAL A 47 -3.772 -2.945 5.806 1.00 0.48 H new ATOM 0 HG22 VAL A 47 -5.022 -2.700 7.049 1.00 0.48 H new ATOM 0 HG23 VAL A 47 -3.992 -1.340 6.542 1.00 0.48 H new ATOM 738 N TYR A 48 -1.732 -0.274 9.340 1.00 0.34 N ATOM 739 CA TYR A 48 -1.303 1.102 9.334 1.00 0.36 C ATOM 740 C TYR A 48 -0.179 1.258 8.334 1.00 0.38 C ATOM 741 O TYR A 48 0.844 0.573 8.411 1.00 0.39 O ATOM 742 CB TYR A 48 -0.850 1.517 10.737 1.00 0.41 C ATOM 743 CG TYR A 48 -0.687 3.008 10.920 1.00 0.55 C ATOM 744 CD1 TYR A 48 -1.791 3.842 11.012 1.00 0.91 C ATOM 745 CD2 TYR A 48 0.578 3.583 10.996 1.00 1.47 C ATOM 746 CE1 TYR A 48 -1.644 5.206 11.173 1.00 1.00 C ATOM 747 CE2 TYR A 48 0.732 4.946 11.159 1.00 1.79 C ATOM 748 CZ TYR A 48 -0.391 5.751 11.268 1.00 1.23 C ATOM 749 OH TYR A 48 -0.233 7.112 11.402 1.00 1.60 O ATOM 0 H TYR A 48 -1.023 -0.946 9.635 1.00 0.34 H new ATOM 0 HA TYR A 48 -2.130 1.750 9.045 1.00 0.36 H new ATOM 0 HB2 TYR A 48 -1.575 1.150 11.464 1.00 0.41 H new ATOM 0 HB3 TYR A 48 0.099 1.029 10.959 1.00 0.41 H new ATOM 0 HD1 TYR A 48 -2.783 3.418 10.957 1.00 0.91 H new ATOM 0 HD2 TYR A 48 1.453 2.954 10.926 1.00 1.47 H new ATOM 0 HE1 TYR A 48 -2.516 5.842 11.224 1.00 1.00 H new ATOM 0 HE2 TYR A 48 1.720 5.381 11.201 1.00 1.79 H new ATOM 0 HH TYR A 48 0.722 7.327 11.456 1.00 1.60 H new ATOM 759 N ILE A 49 -0.389 2.151 7.386 1.00 0.42 N ATOM 760 CA ILE A 49 0.567 2.377 6.326 1.00 0.44 C ATOM 761 C ILE A 49 1.331 3.647 6.619 1.00 0.42 C ATOM 762 O ILE A 49 0.822 4.751 6.438 1.00 0.52 O ATOM 763 CB ILE A 49 -0.123 2.485 4.954 1.00 0.52 C ATOM 764 CG1 ILE A 49 -1.122 1.337 4.778 1.00 0.62 C ATOM 765 CG2 ILE A 49 0.922 2.467 3.850 1.00 0.58 C ATOM 766 CD1 ILE A 49 -1.785 1.294 3.418 1.00 1.20 C ATOM 0 H ILE A 49 -1.223 2.736 7.331 1.00 0.42 H new ATOM 0 HA ILE A 49 1.248 1.527 6.285 1.00 0.44 H new ATOM 0 HB ILE A 49 -0.670 3.426 4.897 1.00 0.52 H new ATOM 0 HG12 ILE A 49 -0.606 0.392 4.948 1.00 0.62 H new ATOM 0 HG13 ILE A 49 -1.894 1.421 5.543 1.00 0.62 H new ATOM 0 HG21 ILE A 49 0.429 2.544 2.881 1.00 0.58 H new ATOM 0 HG22 ILE A 49 1.602 3.309 3.979 1.00 0.58 H new ATOM 0 HG23 ILE A 49 1.486 1.535 3.898 1.00 0.58 H new ATOM 0 HD11 ILE A 49 -2.477 0.453 3.377 1.00 1.20 H new ATOM 0 HD12 ILE A 49 -2.332 2.222 3.250 1.00 1.20 H new ATOM 0 HD13 ILE A 49 -1.024 1.177 2.646 1.00 1.20 H new ATOM 778 N LYS A 50 2.538 3.489 7.105 1.00 0.36 N ATOM 779 CA LYS A 50 3.305 4.622 7.564 1.00 0.37 C ATOM 780 C LYS A 50 4.622 4.722 6.828 1.00 0.35 C ATOM 781 O LYS A 50 5.156 3.731 6.345 1.00 0.36 O ATOM 782 CB LYS A 50 3.518 4.559 9.083 1.00 0.44 C ATOM 783 CG LYS A 50 4.224 3.307 9.574 1.00 0.93 C ATOM 784 CD LYS A 50 4.203 3.206 11.095 1.00 0.88 C ATOM 785 CE LYS A 50 4.960 4.347 11.758 1.00 1.35 C ATOM 786 NZ LYS A 50 6.420 4.298 11.469 1.00 1.86 N ATOM 0 H LYS A 50 3.010 2.589 7.193 1.00 0.36 H new ATOM 0 HA LYS A 50 2.736 5.526 7.344 1.00 0.37 H new ATOM 0 HB2 LYS A 50 4.096 5.430 9.391 1.00 0.44 H new ATOM 0 HB3 LYS A 50 2.548 4.629 9.575 1.00 0.44 H new ATOM 0 HG2 LYS A 50 3.745 2.427 9.144 1.00 0.93 H new ATOM 0 HG3 LYS A 50 5.256 3.311 9.224 1.00 0.93 H new ATOM 0 HD2 LYS A 50 3.170 3.207 11.443 1.00 0.88 H new ATOM 0 HD3 LYS A 50 4.641 2.256 11.400 1.00 0.88 H new ATOM 0 HE2 LYS A 50 4.555 5.298 11.413 1.00 1.35 H new ATOM 0 HE3 LYS A 50 4.803 4.306 12.836 1.00 1.35 H new ATOM 0 HZ1 LYS A 50 6.912 5.009 12.047 1.00 1.86 H new ATOM 0 HZ2 LYS A 50 6.787 3.352 11.697 1.00 1.86 H new ATOM 0 HZ3 LYS A 50 6.581 4.499 10.461 1.00 1.86 H new ATOM 800 N SER A 51 5.135 5.925 6.742 1.00 0.40 N ATOM 801 CA SER A 51 6.438 6.151 6.194 1.00 0.39 C ATOM 802 C SER A 51 7.452 5.814 7.236 1.00 0.39 C ATOM 803 O SER A 51 7.244 6.040 8.430 1.00 0.48 O ATOM 804 CB SER A 51 6.617 7.633 5.852 1.00 0.48 C ATOM 805 OG SER A 51 5.577 8.106 5.032 1.00 1.10 O ATOM 0 H SER A 51 4.656 6.771 7.052 1.00 0.40 H new ATOM 0 HA SER A 51 6.557 5.541 5.298 1.00 0.39 H new ATOM 0 HB2 SER A 51 6.650 8.217 6.771 1.00 0.48 H new ATOM 0 HB3 SER A 51 7.573 7.777 5.348 1.00 0.48 H new ATOM 0 HG SER A 51 4.855 7.444 5.005 1.00 1.10 H new ATOM 811 N THR A 52 8.526 5.226 6.780 1.00 0.35 N ATOM 812 CA THR A 52 9.683 5.138 7.597 1.00 0.41 C ATOM 813 C THR A 52 10.270 6.531 7.567 1.00 0.45 C ATOM 814 O THR A 52 9.779 7.421 8.261 1.00 0.53 O ATOM 815 CB THR A 52 10.666 4.093 7.048 1.00 0.43 C ATOM 816 OG1 THR A 52 9.927 2.956 6.593 1.00 0.62 O ATOM 817 CG2 THR A 52 11.656 3.658 8.113 1.00 0.77 C ATOM 0 H THR A 52 8.614 4.807 5.854 1.00 0.35 H new ATOM 0 HA THR A 52 9.456 4.815 8.613 1.00 0.41 H new ATOM 0 HB THR A 52 11.226 4.538 6.226 1.00 0.43 H new ATOM 0 HG1 THR A 52 9.602 3.120 5.683 1.00 0.62 H new ATOM 0 HG21 THR A 52 12.339 2.918 7.695 1.00 0.77 H new ATOM 0 HG22 THR A 52 12.224 4.523 8.457 1.00 0.77 H new ATOM 0 HG23 THR A 52 11.117 3.220 8.954 1.00 0.77 H new ATOM 825 N GLU A 53 11.293 6.747 6.796 1.00 0.46 N ATOM 826 CA GLU A 53 11.674 8.118 6.509 1.00 0.53 C ATOM 827 C GLU A 53 11.037 8.573 5.188 1.00 0.44 C ATOM 828 O GLU A 53 10.468 9.656 5.083 1.00 0.47 O ATOM 829 CB GLU A 53 13.198 8.235 6.467 1.00 0.68 C ATOM 830 CG GLU A 53 13.716 9.655 6.362 1.00 1.43 C ATOM 831 CD GLU A 53 15.188 9.739 6.698 1.00 1.83 C ATOM 832 OE1 GLU A 53 16.016 9.322 5.863 1.00 2.55 O ATOM 833 OE2 GLU A 53 15.529 10.240 7.790 1.00 2.11 O ATOM 0 H GLU A 53 11.869 6.026 6.362 1.00 0.46 H new ATOM 0 HA GLU A 53 11.308 8.773 7.300 1.00 0.53 H new ATOM 0 HB2 GLU A 53 13.610 7.777 7.366 1.00 0.68 H new ATOM 0 HB3 GLU A 53 13.571 7.662 5.618 1.00 0.68 H new ATOM 0 HG2 GLU A 53 13.551 10.029 5.351 1.00 1.43 H new ATOM 0 HG3 GLU A 53 13.151 10.299 7.036 1.00 1.43 H new ATOM 840 N THR A 54 11.147 7.701 4.195 1.00 0.36 N ATOM 841 CA THR A 54 10.684 7.956 2.830 1.00 0.30 C ATOM 842 C THR A 54 9.498 7.082 2.407 1.00 0.31 C ATOM 843 O THR A 54 9.297 6.883 1.216 1.00 0.38 O ATOM 844 CB THR A 54 11.861 7.749 1.865 1.00 0.40 C ATOM 845 OG1 THR A 54 13.091 7.914 2.587 1.00 1.13 O ATOM 846 CG2 THR A 54 11.822 8.749 0.720 1.00 0.93 C ATOM 0 H THR A 54 11.567 6.779 4.313 1.00 0.36 H new ATOM 0 HA THR A 54 10.323 8.984 2.797 1.00 0.30 H new ATOM 0 HB THR A 54 11.789 6.745 1.447 1.00 0.40 H new ATOM 0 HG1 THR A 54 13.815 7.461 2.107 1.00 1.13 H new ATOM 0 HG21 THR A 54 12.669 8.575 0.056 1.00 0.93 H new ATOM 0 HG22 THR A 54 10.893 8.628 0.163 1.00 0.93 H new ATOM 0 HG23 THR A 54 11.877 9.762 1.119 1.00 0.93 H new ATOM 854 N GLY A 55 8.723 6.521 3.333 1.00 0.33 N ATOM 855 CA GLY A 55 7.967 5.349 2.925 1.00 0.40 C ATOM 856 C GLY A 55 6.560 5.561 2.406 1.00 0.46 C ATOM 857 O GLY A 55 6.125 4.721 1.628 1.00 0.56 O ATOM 0 H GLY A 55 8.607 6.831 4.298 1.00 0.33 H new ATOM 0 HA2 GLY A 55 8.536 4.837 2.149 1.00 0.40 H new ATOM 0 HA3 GLY A 55 7.911 4.673 3.778 1.00 0.40 H new ATOM 861 N GLN A 56 5.861 6.636 2.810 1.00 0.43 N ATOM 862 CA GLN A 56 4.742 7.223 2.026 1.00 0.54 C ATOM 863 C GLN A 56 3.695 7.931 2.883 1.00 0.56 C ATOM 864 O GLN A 56 3.241 7.415 3.907 1.00 0.63 O ATOM 865 CB GLN A 56 4.010 6.233 1.120 1.00 0.81 C ATOM 866 CG GLN A 56 3.202 5.168 1.835 1.00 0.91 C ATOM 867 CD GLN A 56 1.989 4.797 1.027 1.00 1.20 C ATOM 868 OE1 GLN A 56 1.429 5.791 0.355 1.00 2.18 O flip ATOM 869 NE2 GLN A 56 1.548 3.652 1.019 1.00 1.06 N flip ATOM 0 H GLN A 56 6.049 7.126 3.685 1.00 0.43 H new ATOM 0 HA GLN A 56 5.260 7.951 1.402 1.00 0.54 H new ATOM 0 HB2 GLN A 56 3.342 6.792 0.465 1.00 0.81 H new ATOM 0 HB3 GLN A 56 4.744 5.740 0.482 1.00 0.81 H new ATOM 0 HG2 GLN A 56 3.819 4.285 2.002 1.00 0.91 H new ATOM 0 HG3 GLN A 56 2.896 5.532 2.816 1.00 0.91 H new ATOM 0 HE21 GLN A 56 2.017 2.921 1.554 1.00 1.06 H new ATOM 0 HE22 GLN A 56 0.713 3.431 0.477 1.00 1.06 H new ATOM 878 N TYR A 57 3.253 9.081 2.400 1.00 0.57 N ATOM 879 CA TYR A 57 2.145 9.800 3.011 1.00 0.62 C ATOM 880 C TYR A 57 0.880 9.369 2.349 1.00 0.59 C ATOM 881 O TYR A 57 0.409 10.017 1.413 1.00 0.67 O ATOM 882 CB TYR A 57 2.313 11.327 2.908 1.00 0.76 C ATOM 883 CG TYR A 57 1.096 12.145 3.297 1.00 1.77 C ATOM 884 CD1 TYR A 57 0.406 11.909 4.480 1.00 2.17 C ATOM 885 CD2 TYR A 57 0.648 13.167 2.469 1.00 2.59 C ATOM 886 CE1 TYR A 57 -0.696 12.667 4.824 1.00 3.20 C ATOM 887 CE2 TYR A 57 -0.452 13.928 2.807 1.00 3.64 C ATOM 888 CZ TYR A 57 -1.122 13.674 3.984 1.00 3.91 C ATOM 889 OH TYR A 57 -2.218 14.436 4.324 1.00 4.98 O ATOM 0 H TYR A 57 3.648 9.540 1.579 1.00 0.57 H new ATOM 0 HA TYR A 57 2.120 9.562 4.074 1.00 0.62 H new ATOM 0 HB2 TYR A 57 3.148 11.627 3.541 1.00 0.76 H new ATOM 0 HB3 TYR A 57 2.585 11.577 1.882 1.00 0.76 H new ATOM 0 HD1 TYR A 57 0.737 11.121 5.140 1.00 2.17 H new ATOM 0 HD2 TYR A 57 1.170 13.369 1.545 1.00 2.59 H new ATOM 0 HE1 TYR A 57 -1.222 12.472 5.747 1.00 3.20 H new ATOM 0 HE2 TYR A 57 -0.786 14.719 2.152 1.00 3.64 H new ATOM 0 HH TYR A 57 -2.383 15.102 3.624 1.00 4.98 H new ATOM 899 N LEU A 58 0.324 8.277 2.817 1.00 0.55 N ATOM 900 CA LEU A 58 -0.839 7.770 2.175 1.00 0.58 C ATOM 901 C LEU A 58 -2.025 8.591 2.566 1.00 0.56 C ATOM 902 O LEU A 58 -2.531 8.542 3.681 1.00 0.72 O ATOM 903 CB LEU A 58 -1.076 6.302 2.453 1.00 0.70 C ATOM 904 CG LEU A 58 -1.603 5.581 1.227 1.00 1.32 C ATOM 905 CD1 LEU A 58 -1.477 4.076 1.377 1.00 1.59 C ATOM 906 CD2 LEU A 58 -3.048 5.961 0.941 1.00 1.85 C ATOM 0 H LEU A 58 0.656 7.742 3.620 1.00 0.55 H new ATOM 0 HA LEU A 58 -0.680 7.847 1.099 1.00 0.58 H new ATOM 0 HB2 LEU A 58 -0.145 5.837 2.777 1.00 0.70 H new ATOM 0 HB3 LEU A 58 -1.787 6.196 3.272 1.00 0.70 H new ATOM 0 HG LEU A 58 -0.992 5.895 0.381 1.00 1.32 H new ATOM 0 HD11 LEU A 58 -1.863 3.588 0.482 1.00 1.59 H new ATOM 0 HD12 LEU A 58 -0.428 3.810 1.512 1.00 1.59 H new ATOM 0 HD13 LEU A 58 -2.049 3.748 2.245 1.00 1.59 H new ATOM 0 HD21 LEU A 58 -3.396 5.428 0.057 1.00 1.85 H new ATOM 0 HD22 LEU A 58 -3.670 5.693 1.795 1.00 1.85 H new ATOM 0 HD23 LEU A 58 -3.114 7.035 0.767 1.00 1.85 H new ATOM 918 N ALA A 59 -2.409 9.396 1.625 1.00 0.47 N ATOM 919 CA ALA A 59 -3.545 10.240 1.765 1.00 0.46 C ATOM 920 C ALA A 59 -4.675 9.666 0.935 1.00 0.46 C ATOM 921 O ALA A 59 -4.633 9.726 -0.296 1.00 0.51 O ATOM 922 CB ALA A 59 -3.169 11.646 1.318 1.00 0.54 C ATOM 0 H ALA A 59 -1.933 9.484 0.727 1.00 0.47 H new ATOM 0 HA ALA A 59 -3.876 10.294 2.802 1.00 0.46 H new ATOM 0 HB1 ALA A 59 -4.032 12.303 1.421 1.00 0.54 H new ATOM 0 HB2 ALA A 59 -2.353 12.019 1.938 1.00 0.54 H new ATOM 0 HB3 ALA A 59 -2.852 11.624 0.275 1.00 0.54 H new ATOM 928 N MET A 60 -5.661 9.067 1.589 1.00 0.48 N ATOM 929 CA MET A 60 -6.813 8.569 0.859 1.00 0.52 C ATOM 930 C MET A 60 -7.780 9.723 0.627 1.00 0.55 C ATOM 931 O MET A 60 -8.170 10.409 1.571 1.00 0.74 O ATOM 932 CB MET A 60 -7.495 7.451 1.648 1.00 0.66 C ATOM 933 CG MET A 60 -8.400 6.570 0.801 1.00 1.76 C ATOM 934 SD MET A 60 -7.516 5.777 -0.559 1.00 2.80 S ATOM 935 CE MET A 60 -8.795 4.702 -1.208 1.00 3.74 C ATOM 0 H MET A 60 -5.686 8.918 2.598 1.00 0.48 H new ATOM 0 HA MET A 60 -6.495 8.160 -0.100 1.00 0.52 H new ATOM 0 HB2 MET A 60 -6.731 6.829 2.115 1.00 0.66 H new ATOM 0 HB3 MET A 60 -8.082 7.893 2.453 1.00 0.66 H new ATOM 0 HG2 MET A 60 -8.851 5.804 1.432 1.00 1.76 H new ATOM 0 HG3 MET A 60 -9.215 7.172 0.399 1.00 1.76 H new ATOM 0 HE1 MET A 60 -8.362 3.735 -1.464 1.00 3.74 H new ATOM 0 HE2 MET A 60 -9.571 4.564 -0.455 1.00 3.74 H new ATOM 0 HE3 MET A 60 -9.231 5.152 -2.100 1.00 3.74 H new ATOM 945 N ASP A 61 -8.156 9.946 -0.628 1.00 0.51 N ATOM 946 CA ASP A 61 -8.885 11.157 -0.989 1.00 0.56 C ATOM 947 C ASP A 61 -10.217 10.796 -1.581 1.00 0.56 C ATOM 948 O ASP A 61 -10.290 10.139 -2.626 1.00 0.64 O ATOM 949 CB ASP A 61 -8.132 11.988 -2.008 1.00 0.71 C ATOM 950 CG ASP A 61 -8.642 13.417 -2.104 1.00 1.02 C ATOM 951 OD1 ASP A 61 -9.864 13.607 -2.257 1.00 1.58 O ATOM 952 OD2 ASP A 61 -7.828 14.359 -1.984 1.00 1.34 O ATOM 0 H ASP A 61 -7.971 9.312 -1.405 1.00 0.51 H new ATOM 0 HA ASP A 61 -9.007 11.739 -0.076 1.00 0.56 H new ATOM 0 HB2 ASP A 61 -7.074 12.003 -1.746 1.00 0.71 H new ATOM 0 HB3 ASP A 61 -8.212 11.513 -2.986 1.00 0.71 H new ATOM 957 N THR A 62 -11.247 11.277 -0.923 1.00 0.65 N ATOM 958 CA THR A 62 -12.616 10.909 -1.183 1.00 0.83 C ATOM 959 C THR A 62 -12.778 9.440 -0.843 1.00 0.87 C ATOM 960 O THR A 62 -13.458 9.082 0.117 1.00 1.31 O ATOM 961 CB THR A 62 -12.999 11.170 -2.647 1.00 0.97 C ATOM 962 OG1 THR A 62 -12.582 12.487 -3.038 1.00 1.47 O ATOM 963 CG2 THR A 62 -14.495 11.028 -2.842 1.00 1.55 C ATOM 0 H THR A 62 -11.150 11.957 -0.169 1.00 0.65 H new ATOM 0 HA THR A 62 -13.280 11.517 -0.569 1.00 0.83 H new ATOM 0 HB THR A 62 -12.494 10.432 -3.270 1.00 0.97 H new ATOM 0 HG1 THR A 62 -11.603 12.533 -3.040 1.00 1.47 H new ATOM 0 HG21 THR A 62 -14.745 11.217 -3.886 1.00 1.55 H new ATOM 0 HG22 THR A 62 -14.803 10.018 -2.572 1.00 1.55 H new ATOM 0 HG23 THR A 62 -15.014 11.747 -2.208 1.00 1.55 H new ATOM 971 N ASP A 63 -12.102 8.638 -1.654 1.00 0.78 N ATOM 972 CA ASP A 63 -11.897 7.204 -1.452 1.00 0.88 C ATOM 973 C ASP A 63 -11.528 6.575 -2.794 1.00 0.87 C ATOM 974 O ASP A 63 -11.455 5.359 -2.937 1.00 0.96 O ATOM 975 CB ASP A 63 -13.166 6.570 -0.910 1.00 1.05 C ATOM 976 CG ASP A 63 -12.922 5.425 0.045 1.00 1.19 C ATOM 977 OD1 ASP A 63 -12.821 4.276 -0.409 1.00 1.42 O ATOM 978 OD2 ASP A 63 -12.879 5.675 1.272 1.00 1.54 O ATOM 0 H ASP A 63 -11.661 8.980 -2.508 1.00 0.78 H new ATOM 0 HA ASP A 63 -11.096 7.039 -0.732 1.00 0.88 H new ATOM 0 HB2 ASP A 63 -13.753 7.335 -0.402 1.00 1.05 H new ATOM 0 HB3 ASP A 63 -13.766 6.211 -1.746 1.00 1.05 H new ATOM 983 N GLY A 64 -11.233 7.437 -3.764 1.00 0.82 N ATOM 984 CA GLY A 64 -11.220 7.036 -5.151 1.00 0.89 C ATOM 985 C GLY A 64 -9.833 7.038 -5.736 1.00 0.90 C ATOM 986 O GLY A 64 -9.627 6.559 -6.841 1.00 1.17 O ATOM 0 H GLY A 64 -11.001 8.417 -3.605 1.00 0.82 H new ATOM 0 HA2 GLY A 64 -11.648 6.038 -5.242 1.00 0.89 H new ATOM 0 HA3 GLY A 64 -11.855 7.709 -5.727 1.00 0.89 H new ATOM 990 N LEU A 65 -8.886 7.615 -5.019 1.00 0.72 N ATOM 991 CA LEU A 65 -7.495 7.480 -5.382 1.00 0.71 C ATOM 992 C LEU A 65 -6.616 7.670 -4.168 1.00 0.67 C ATOM 993 O LEU A 65 -7.073 8.129 -3.115 1.00 0.79 O ATOM 994 CB LEU A 65 -7.090 8.424 -6.505 1.00 0.74 C ATOM 995 CG LEU A 65 -6.633 9.828 -6.089 1.00 1.41 C ATOM 996 CD1 LEU A 65 -6.052 10.568 -7.285 1.00 2.03 C ATOM 997 CD2 LEU A 65 -7.788 10.619 -5.489 1.00 2.04 C ATOM 0 H LEU A 65 -9.058 8.178 -4.186 1.00 0.72 H new ATOM 0 HA LEU A 65 -7.356 6.469 -5.764 1.00 0.71 H new ATOM 0 HB2 LEU A 65 -6.283 7.956 -7.069 1.00 0.74 H new ATOM 0 HB3 LEU A 65 -7.936 8.528 -7.185 1.00 0.74 H new ATOM 0 HG LEU A 65 -5.859 9.724 -5.328 1.00 1.41 H new ATOM 0 HD11 LEU A 65 -5.731 11.563 -6.977 1.00 2.03 H new ATOM 0 HD12 LEU A 65 -5.197 10.016 -7.674 1.00 2.03 H new ATOM 0 HD13 LEU A 65 -6.811 10.656 -8.062 1.00 2.03 H new ATOM 0 HD21 LEU A 65 -7.439 11.611 -5.202 1.00 2.04 H new ATOM 0 HD22 LEU A 65 -8.586 10.714 -6.226 1.00 2.04 H new ATOM 0 HD23 LEU A 65 -8.167 10.099 -4.609 1.00 2.04 H new ATOM 1009 N LEU A 66 -5.356 7.330 -4.335 1.00 0.65 N ATOM 1010 CA LEU A 66 -4.500 7.065 -3.214 1.00 0.68 C ATOM 1011 C LEU A 66 -3.108 7.670 -3.401 1.00 0.63 C ATOM 1012 O LEU A 66 -2.409 7.447 -4.404 1.00 0.73 O ATOM 1013 CB LEU A 66 -4.462 5.542 -2.952 1.00 0.90 C ATOM 1014 CG LEU A 66 -4.505 4.612 -4.192 1.00 0.79 C ATOM 1015 CD1 LEU A 66 -4.180 3.188 -3.787 1.00 1.55 C ATOM 1016 CD2 LEU A 66 -5.878 4.618 -4.870 1.00 1.56 C ATOM 0 H LEU A 66 -4.906 7.232 -5.245 1.00 0.65 H new ATOM 0 HA LEU A 66 -4.908 7.553 -2.329 1.00 0.68 H new ATOM 0 HB2 LEU A 66 -3.554 5.317 -2.392 1.00 0.90 H new ATOM 0 HB3 LEU A 66 -5.305 5.288 -2.309 1.00 0.90 H new ATOM 0 HG LEU A 66 -3.766 4.991 -4.897 1.00 0.79 H new ATOM 0 HD11 LEU A 66 -4.213 2.543 -4.665 1.00 1.55 H new ATOM 0 HD12 LEU A 66 -3.183 3.153 -3.349 1.00 1.55 H new ATOM 0 HD13 LEU A 66 -4.910 2.842 -3.055 1.00 1.55 H new ATOM 0 HD21 LEU A 66 -5.860 3.953 -5.733 1.00 1.56 H new ATOM 0 HD22 LEU A 66 -6.634 4.276 -4.163 1.00 1.56 H new ATOM 0 HD23 LEU A 66 -6.118 5.630 -5.197 1.00 1.56 H new ATOM 1028 N TYR A 67 -2.699 8.415 -2.395 1.00 0.62 N ATOM 1029 CA TYR A 67 -1.472 9.187 -2.453 1.00 0.63 C ATOM 1030 C TYR A 67 -0.439 8.576 -1.553 1.00 0.70 C ATOM 1031 O TYR A 67 -0.767 7.781 -0.684 1.00 0.98 O ATOM 1032 CB TYR A 67 -1.707 10.600 -1.922 1.00 0.91 C ATOM 1033 CG TYR A 67 -2.461 11.530 -2.824 1.00 0.72 C ATOM 1034 CD1 TYR A 67 -3.813 11.359 -3.079 1.00 0.75 C ATOM 1035 CD2 TYR A 67 -1.814 12.611 -3.389 1.00 0.84 C ATOM 1036 CE1 TYR A 67 -4.498 12.247 -3.879 1.00 0.95 C ATOM 1037 CE2 TYR A 67 -2.482 13.498 -4.190 1.00 1.16 C ATOM 1038 CZ TYR A 67 -3.830 13.317 -4.436 1.00 1.21 C ATOM 1039 OH TYR A 67 -4.515 14.210 -5.227 1.00 1.64 O ATOM 0 H TYR A 67 -3.206 8.503 -1.514 1.00 0.62 H new ATOM 0 HA TYR A 67 -1.145 9.202 -3.493 1.00 0.63 H new ATOM 0 HB2 TYR A 67 -2.247 10.526 -0.978 1.00 0.91 H new ATOM 0 HB3 TYR A 67 -0.738 11.048 -1.701 1.00 0.91 H new ATOM 0 HD1 TYR A 67 -4.336 10.519 -2.645 1.00 0.75 H new ATOM 0 HD2 TYR A 67 -0.762 12.760 -3.196 1.00 0.84 H new ATOM 0 HE1 TYR A 67 -5.552 12.106 -4.069 1.00 0.95 H new ATOM 0 HE2 TYR A 67 -1.958 14.335 -4.627 1.00 1.16 H new ATOM 0 HH TYR A 67 -3.901 14.906 -5.541 1.00 1.64 H new ATOM 1049 N GLY A 68 0.814 8.892 -1.784 1.00 0.66 N ATOM 1050 CA GLY A 68 1.765 8.725 -0.729 1.00 0.80 C ATOM 1051 C GLY A 68 3.057 9.432 -0.966 1.00 0.81 C ATOM 1052 O GLY A 68 3.717 9.177 -1.963 1.00 0.85 O ATOM 0 H GLY A 68 1.183 9.253 -2.664 1.00 0.66 H new ATOM 0 HA2 GLY A 68 1.329 9.087 0.202 1.00 0.80 H new ATOM 0 HA3 GLY A 68 1.963 7.661 -0.595 1.00 0.80 H new ATOM 1056 N SER A 69 3.448 10.315 -0.054 1.00 0.91 N ATOM 1057 CA SER A 69 4.883 10.669 -0.017 1.00 1.08 C ATOM 1058 C SER A 69 5.527 10.999 1.351 1.00 1.38 C ATOM 1059 O SER A 69 6.433 10.294 1.778 1.00 1.62 O ATOM 1060 CB SER A 69 5.126 11.862 -0.945 1.00 1.08 C ATOM 1061 OG SER A 69 4.488 11.677 -2.193 1.00 1.39 O ATOM 0 H SER A 69 2.849 10.777 0.630 1.00 0.91 H new ATOM 0 HA SER A 69 5.369 9.744 -0.327 1.00 1.08 H new ATOM 0 HB2 SER A 69 4.755 12.773 -0.475 1.00 1.08 H new ATOM 0 HB3 SER A 69 6.197 11.995 -1.097 1.00 1.08 H new ATOM 0 HG SER A 69 5.121 11.868 -2.916 1.00 1.39 H new ATOM 1067 N GLN A 70 5.044 12.005 2.057 1.00 1.49 N ATOM 1068 CA GLN A 70 5.861 12.584 3.146 1.00 1.85 C ATOM 1069 C GLN A 70 5.715 11.927 4.529 1.00 1.93 C ATOM 1070 O GLN A 70 6.698 11.662 5.216 1.00 2.19 O ATOM 1071 CB GLN A 70 5.548 14.075 3.275 1.00 2.07 C ATOM 1072 CG GLN A 70 5.783 14.879 2.000 1.00 2.63 C ATOM 1073 CD GLN A 70 7.236 14.894 1.549 1.00 3.22 C ATOM 1074 OE1 GLN A 70 7.979 13.936 1.750 1.00 3.66 O ATOM 1075 NE2 GLN A 70 7.657 15.996 0.949 1.00 3.79 N ATOM 0 H GLN A 70 4.130 12.435 1.917 1.00 1.49 H new ATOM 0 HA GLN A 70 6.892 12.394 2.847 1.00 1.85 H new ATOM 0 HB2 GLN A 70 4.507 14.191 3.577 1.00 2.07 H new ATOM 0 HB3 GLN A 70 6.160 14.495 4.073 1.00 2.07 H new ATOM 0 HG2 GLN A 70 5.167 14.466 1.201 1.00 2.63 H new ATOM 0 HG3 GLN A 70 5.450 15.905 2.161 1.00 2.63 H new ATOM 0 HE21 GLN A 70 7.013 16.772 0.798 1.00 3.79 H new ATOM 0 HE22 GLN A 70 8.625 16.069 0.637 1.00 3.79 H new ATOM 1084 N THR A 71 4.484 11.681 4.913 1.00 1.75 N ATOM 1085 CA THR A 71 4.129 11.433 6.315 1.00 1.78 C ATOM 1086 C THR A 71 3.218 10.221 6.478 1.00 1.56 C ATOM 1087 O THR A 71 2.893 9.567 5.516 1.00 1.63 O ATOM 1088 CB THR A 71 3.431 12.677 6.885 1.00 1.94 C ATOM 1089 OG1 THR A 71 2.824 13.411 5.813 1.00 2.26 O ATOM 1090 CG2 THR A 71 4.416 13.561 7.633 1.00 2.31 C ATOM 0 H THR A 71 3.691 11.644 4.272 1.00 1.75 H new ATOM 0 HA THR A 71 5.050 11.224 6.858 1.00 1.78 H new ATOM 0 HB THR A 71 2.665 12.357 7.592 1.00 1.94 H new ATOM 0 HG1 THR A 71 2.134 12.859 5.388 1.00 2.26 H new ATOM 0 HG21 THR A 71 3.895 14.434 8.026 1.00 2.31 H new ATOM 0 HG22 THR A 71 4.856 12.999 8.457 1.00 2.31 H new ATOM 0 HG23 THR A 71 5.204 13.884 6.953 1.00 2.31 H new ATOM 1098 N PRO A 72 2.828 9.857 7.703 1.00 1.41 N ATOM 1099 CA PRO A 72 1.651 9.042 7.906 1.00 1.20 C ATOM 1100 C PRO A 72 0.569 9.783 8.705 1.00 1.04 C ATOM 1101 O PRO A 72 0.661 9.920 9.927 1.00 1.06 O ATOM 1102 CB PRO A 72 2.235 7.933 8.766 1.00 1.31 C ATOM 1103 CG PRO A 72 3.346 8.599 9.559 1.00 1.49 C ATOM 1104 CD PRO A 72 3.570 9.976 8.951 1.00 1.53 C ATOM 0 HA PRO A 72 1.167 8.732 6.980 1.00 1.20 H new ATOM 0 HB2 PRO A 72 1.480 7.505 9.426 1.00 1.31 H new ATOM 0 HB3 PRO A 72 2.621 7.119 8.153 1.00 1.31 H new ATOM 0 HG2 PRO A 72 3.071 8.683 10.610 1.00 1.49 H new ATOM 0 HG3 PRO A 72 4.259 8.006 9.515 1.00 1.49 H new ATOM 0 HD2 PRO A 72 3.184 10.774 9.585 1.00 1.53 H new ATOM 0 HD3 PRO A 72 4.627 10.185 8.784 1.00 1.53 H new ATOM 1112 N ASN A 73 -0.455 10.268 8.012 1.00 0.94 N ATOM 1113 CA ASN A 73 -1.566 10.923 8.689 1.00 0.86 C ATOM 1114 C ASN A 73 -2.565 9.833 8.861 1.00 0.68 C ATOM 1115 O ASN A 73 -2.451 8.830 8.130 1.00 0.71 O ATOM 1116 CB ASN A 73 -2.123 12.070 7.837 1.00 0.98 C ATOM 1117 CG ASN A 73 -3.232 12.846 8.527 1.00 1.57 C ATOM 1118 OD1 ASN A 73 -4.410 12.516 8.399 1.00 2.21 O ATOM 1119 ND2 ASN A 73 -2.863 13.885 9.256 1.00 2.17 N ATOM 0 H ASN A 73 -0.539 10.221 6.997 1.00 0.94 H new ATOM 0 HA ASN A 73 -1.281 11.378 9.638 1.00 0.86 H new ATOM 0 HB2 ASN A 73 -1.312 12.754 7.586 1.00 0.98 H new ATOM 0 HB3 ASN A 73 -2.501 11.666 6.898 1.00 0.98 H new ATOM 0 HD21 ASN A 73 -3.566 14.446 9.737 1.00 2.17 H new ATOM 0 HD22 ASN A 73 -1.875 14.126 9.337 1.00 2.17 H new ATOM 1126 N GLU A 74 -3.617 9.943 9.647 1.00 0.59 N ATOM 1127 CA GLU A 74 -4.476 8.850 9.445 1.00 0.47 C ATOM 1128 C GLU A 74 -5.581 9.339 8.576 1.00 0.52 C ATOM 1129 O GLU A 74 -6.617 9.856 8.978 1.00 0.64 O ATOM 1130 CB GLU A 74 -5.002 8.348 10.788 1.00 0.49 C ATOM 1131 CG GLU A 74 -3.901 8.187 11.824 1.00 1.15 C ATOM 1132 CD GLU A 74 -4.418 7.736 13.169 1.00 1.51 C ATOM 1133 OE1 GLU A 74 -5.295 8.421 13.737 1.00 1.84 O ATOM 1134 OE2 GLU A 74 -3.936 6.704 13.675 1.00 2.11 O ATOM 0 H GLU A 74 -3.859 10.666 10.325 1.00 0.59 H new ATOM 0 HA GLU A 74 -3.964 8.012 8.972 1.00 0.47 H new ATOM 0 HB2 GLU A 74 -5.751 9.045 11.164 1.00 0.49 H new ATOM 0 HB3 GLU A 74 -5.502 7.390 10.643 1.00 0.49 H new ATOM 0 HG2 GLU A 74 -3.171 7.464 11.461 1.00 1.15 H new ATOM 0 HG3 GLU A 74 -3.379 9.136 11.941 1.00 1.15 H new ATOM 1141 N GLU A 75 -5.265 9.036 7.349 1.00 0.49 N ATOM 1142 CA GLU A 75 -6.091 8.822 6.212 1.00 0.52 C ATOM 1143 C GLU A 75 -5.504 7.594 5.536 1.00 0.40 C ATOM 1144 O GLU A 75 -6.105 7.005 4.642 1.00 0.47 O ATOM 1145 CB GLU A 75 -5.977 10.002 5.260 1.00 0.69 C ATOM 1146 CG GLU A 75 -6.450 11.331 5.834 1.00 0.89 C ATOM 1147 CD GLU A 75 -7.946 11.373 6.089 1.00 1.40 C ATOM 1148 OE1 GLU A 75 -8.711 11.623 5.140 1.00 1.69 O ATOM 1149 OE2 GLU A 75 -8.364 11.133 7.238 1.00 2.16 O ATOM 0 H GLU A 75 -4.283 8.919 7.099 1.00 0.49 H new ATOM 0 HA GLU A 75 -7.140 8.703 6.485 1.00 0.52 H new ATOM 0 HB2 GLU A 75 -4.936 10.104 4.953 1.00 0.69 H new ATOM 0 HB3 GLU A 75 -6.554 9.784 4.362 1.00 0.69 H new ATOM 0 HG2 GLU A 75 -5.923 11.524 6.768 1.00 0.89 H new ATOM 0 HG3 GLU A 75 -6.183 12.133 5.146 1.00 0.89 H new ATOM 1156 N CYS A 76 -4.217 7.327 5.899 1.00 0.37 N ATOM 1157 CA CYS A 76 -3.441 6.262 5.302 1.00 0.47 C ATOM 1158 C CYS A 76 -3.952 4.874 5.688 1.00 0.40 C ATOM 1159 O CYS A 76 -3.657 3.890 5.012 1.00 0.48 O ATOM 1160 CB CYS A 76 -1.978 6.383 5.736 1.00 0.68 C ATOM 1161 SG CYS A 76 -1.681 6.038 7.485 1.00 1.40 S ATOM 0 H CYS A 76 -3.714 7.855 6.612 1.00 0.37 H new ATOM 0 HA CYS A 76 -3.538 6.368 4.221 1.00 0.47 H new ATOM 0 HB2 CYS A 76 -1.377 5.699 5.137 1.00 0.68 H new ATOM 0 HB3 CYS A 76 -1.629 7.391 5.514 1.00 0.68 H new ATOM 0 HG CYS A 76 -1.944 7.100 8.188 1.00 1.40 H new ATOM 1167 N LEU A 77 -4.714 4.794 6.776 1.00 0.37 N ATOM 1168 CA LEU A 77 -5.026 3.510 7.381 1.00 0.46 C ATOM 1169 C LEU A 77 -6.251 2.868 6.756 1.00 0.39 C ATOM 1170 O LEU A 77 -7.242 3.539 6.419 1.00 0.40 O ATOM 1171 CB LEU A 77 -5.171 3.629 8.910 1.00 0.66 C ATOM 1172 CG LEU A 77 -5.925 4.854 9.455 1.00 0.96 C ATOM 1173 CD1 LEU A 77 -7.412 4.793 9.135 1.00 1.63 C ATOM 1174 CD2 LEU A 77 -5.717 4.960 10.957 1.00 1.59 C ATOM 0 H LEU A 77 -5.122 5.599 7.251 1.00 0.37 H new ATOM 0 HA LEU A 77 -4.183 2.850 7.179 1.00 0.46 H new ATOM 0 HB2 LEU A 77 -5.677 2.734 9.271 1.00 0.66 H new ATOM 0 HB3 LEU A 77 -4.171 3.628 9.345 1.00 0.66 H new ATOM 0 HG LEU A 77 -5.521 5.740 8.965 1.00 0.96 H new ATOM 0 HD11 LEU A 77 -7.907 5.677 9.537 1.00 1.63 H new ATOM 0 HD12 LEU A 77 -7.551 4.760 8.054 1.00 1.63 H new ATOM 0 HD13 LEU A 77 -7.844 3.899 9.584 1.00 1.63 H new ATOM 0 HD21 LEU A 77 -6.253 5.829 11.338 1.00 1.59 H new ATOM 0 HD22 LEU A 77 -6.095 4.060 11.441 1.00 1.59 H new ATOM 0 HD23 LEU A 77 -4.653 5.067 11.170 1.00 1.59 H new ATOM 1186 N PHE A 78 -6.169 1.560 6.575 1.00 0.39 N ATOM 1187 CA PHE A 78 -7.240 0.824 5.956 1.00 0.39 C ATOM 1188 C PHE A 78 -7.471 -0.474 6.721 1.00 0.36 C ATOM 1189 O PHE A 78 -6.611 -0.917 7.477 1.00 0.41 O ATOM 1190 CB PHE A 78 -6.941 0.528 4.475 1.00 0.53 C ATOM 1191 CG PHE A 78 -6.525 1.725 3.665 1.00 0.56 C ATOM 1192 CD1 PHE A 78 -7.389 2.792 3.483 1.00 0.66 C ATOM 1193 CD2 PHE A 78 -5.271 1.777 3.082 1.00 0.65 C ATOM 1194 CE1 PHE A 78 -7.010 3.890 2.738 1.00 0.81 C ATOM 1195 CE2 PHE A 78 -4.886 2.872 2.333 1.00 0.78 C ATOM 1196 CZ PHE A 78 -5.756 3.930 2.161 1.00 0.84 C ATOM 0 H PHE A 78 -5.368 0.993 6.851 1.00 0.39 H new ATOM 0 HA PHE A 78 -8.142 1.435 5.990 1.00 0.39 H new ATOM 0 HB2 PHE A 78 -6.152 -0.222 4.421 1.00 0.53 H new ATOM 0 HB3 PHE A 78 -7.829 0.090 4.020 1.00 0.53 H new ATOM 0 HD1 PHE A 78 -8.372 2.764 3.930 1.00 0.66 H new ATOM 0 HD2 PHE A 78 -4.586 0.953 3.214 1.00 0.65 H new ATOM 0 HE1 PHE A 78 -7.693 4.716 2.606 1.00 0.81 H new ATOM 0 HE2 PHE A 78 -3.905 2.900 1.882 1.00 0.78 H new ATOM 0 HZ PHE A 78 -5.456 4.787 1.576 1.00 0.84 H new ATOM 1206 N LEU A 79 -8.624 -1.086 6.526 1.00 0.37 N ATOM 1207 CA LEU A 79 -8.933 -2.343 7.185 1.00 0.37 C ATOM 1208 C LEU A 79 -8.397 -3.470 6.318 1.00 0.35 C ATOM 1209 O LEU A 79 -8.569 -3.450 5.108 1.00 0.35 O ATOM 1210 CB LEU A 79 -10.448 -2.465 7.415 1.00 0.44 C ATOM 1211 CG LEU A 79 -10.917 -3.630 8.299 1.00 0.55 C ATOM 1212 CD1 LEU A 79 -12.284 -3.320 8.886 1.00 1.02 C ATOM 1213 CD2 LEU A 79 -10.984 -4.931 7.508 1.00 1.09 C ATOM 0 H LEU A 79 -9.363 -0.734 5.917 1.00 0.37 H new ATOM 0 HA LEU A 79 -8.462 -2.393 8.167 1.00 0.37 H new ATOM 0 HB2 LEU A 79 -10.801 -1.535 7.861 1.00 0.44 H new ATOM 0 HB3 LEU A 79 -10.934 -2.557 6.444 1.00 0.44 H new ATOM 0 HG LEU A 79 -10.192 -3.754 9.104 1.00 0.55 H new ATOM 0 HD11 LEU A 79 -12.609 -4.152 9.511 1.00 1.02 H new ATOM 0 HD12 LEU A 79 -12.224 -2.414 9.489 1.00 1.02 H new ATOM 0 HD13 LEU A 79 -13.001 -3.171 8.079 1.00 1.02 H new ATOM 0 HD21 LEU A 79 -11.319 -5.737 8.161 1.00 1.09 H new ATOM 0 HD22 LEU A 79 -11.685 -4.818 6.681 1.00 1.09 H new ATOM 0 HD23 LEU A 79 -9.996 -5.169 7.115 1.00 1.09 H new ATOM 1225 N GLU A 80 -7.756 -4.443 6.923 1.00 0.39 N ATOM 1226 CA GLU A 80 -7.039 -5.444 6.162 1.00 0.42 C ATOM 1227 C GLU A 80 -7.906 -6.671 5.967 1.00 0.40 C ATOM 1228 O GLU A 80 -8.433 -7.244 6.921 1.00 0.51 O ATOM 1229 CB GLU A 80 -5.739 -5.817 6.879 1.00 0.57 C ATOM 1230 CG GLU A 80 -4.745 -6.577 6.010 1.00 0.97 C ATOM 1231 CD GLU A 80 -4.633 -8.042 6.376 1.00 1.40 C ATOM 1232 OE1 GLU A 80 -5.470 -8.837 5.915 1.00 2.07 O ATOM 1233 OE2 GLU A 80 -3.695 -8.403 7.122 1.00 1.69 O ATOM 0 H GLU A 80 -7.715 -4.564 7.935 1.00 0.39 H new ATOM 0 HA GLU A 80 -6.792 -5.034 5.183 1.00 0.42 H new ATOM 0 HB2 GLU A 80 -5.264 -4.906 7.244 1.00 0.57 H new ATOM 0 HB3 GLU A 80 -5.979 -6.423 7.752 1.00 0.57 H new ATOM 0 HG2 GLU A 80 -5.045 -6.492 4.966 1.00 0.97 H new ATOM 0 HG3 GLU A 80 -3.764 -6.111 6.098 1.00 0.97 H new ATOM 1240 N ARG A 81 -8.063 -7.047 4.714 1.00 0.38 N ATOM 1241 CA ARG A 81 -8.830 -8.209 4.348 1.00 0.39 C ATOM 1242 C ARG A 81 -7.962 -9.094 3.487 1.00 0.48 C ATOM 1243 O ARG A 81 -7.698 -8.787 2.333 1.00 0.75 O ATOM 1244 CB ARG A 81 -10.094 -7.811 3.583 1.00 0.56 C ATOM 1245 CG ARG A 81 -10.787 -8.989 2.919 1.00 0.76 C ATOM 1246 CD ARG A 81 -11.914 -8.542 2.008 1.00 1.34 C ATOM 1247 NE ARG A 81 -12.318 -9.615 1.105 1.00 2.05 N ATOM 1248 CZ ARG A 81 -13.523 -9.732 0.564 1.00 2.81 C ATOM 1249 NH1 ARG A 81 -14.486 -8.865 0.859 1.00 3.05 N ATOM 1250 NH2 ARG A 81 -13.769 -10.735 -0.265 1.00 3.75 N ATOM 0 H ARG A 81 -7.658 -6.549 3.921 1.00 0.38 H new ATOM 0 HA ARG A 81 -9.141 -8.739 5.248 1.00 0.39 H new ATOM 0 HB2 ARG A 81 -10.790 -7.328 4.269 1.00 0.56 H new ATOM 0 HB3 ARG A 81 -9.834 -7.075 2.822 1.00 0.56 H new ATOM 0 HG2 ARG A 81 -10.059 -9.560 2.343 1.00 0.76 H new ATOM 0 HG3 ARG A 81 -11.182 -9.656 3.685 1.00 0.76 H new ATOM 0 HD2 ARG A 81 -12.768 -8.227 2.608 1.00 1.34 H new ATOM 0 HD3 ARG A 81 -11.595 -7.676 1.428 1.00 1.34 H new ATOM 0 HE ARG A 81 -11.624 -10.326 0.874 1.00 2.05 H new ATOM 0 HH11 ARG A 81 -14.302 -8.100 1.508 1.00 3.05 H new ATOM 0 HH12 ARG A 81 -15.409 -8.965 0.437 1.00 3.05 H new ATOM 0 HH21 ARG A 81 -13.035 -11.409 -0.482 1.00 3.75 H new ATOM 0 HH22 ARG A 81 -14.693 -10.834 -0.686 1.00 3.75 H new ATOM 1264 N LEU A 82 -7.509 -10.177 4.054 1.00 0.60 N ATOM 1265 CA LEU A 82 -6.651 -11.087 3.342 1.00 0.82 C ATOM 1266 C LEU A 82 -7.473 -12.192 2.718 1.00 0.66 C ATOM 1267 O LEU A 82 -8.305 -12.819 3.373 1.00 0.84 O ATOM 1268 CB LEU A 82 -5.546 -11.645 4.259 1.00 1.25 C ATOM 1269 CG LEU A 82 -6.008 -12.404 5.511 1.00 1.28 C ATOM 1270 CD1 LEU A 82 -6.169 -13.892 5.226 1.00 1.93 C ATOM 1271 CD2 LEU A 82 -5.025 -12.187 6.650 1.00 1.65 C ATOM 0 H LEU A 82 -7.720 -10.454 5.013 1.00 0.60 H new ATOM 0 HA LEU A 82 -6.151 -10.542 2.541 1.00 0.82 H new ATOM 0 HB2 LEU A 82 -4.918 -12.313 3.668 1.00 1.25 H new ATOM 0 HB3 LEU A 82 -4.916 -10.814 4.578 1.00 1.25 H new ATOM 0 HG LEU A 82 -6.982 -12.011 5.804 1.00 1.28 H new ATOM 0 HD11 LEU A 82 -6.497 -14.402 6.132 1.00 1.93 H new ATOM 0 HD12 LEU A 82 -6.911 -14.034 4.440 1.00 1.93 H new ATOM 0 HD13 LEU A 82 -5.214 -14.306 4.902 1.00 1.93 H new ATOM 0 HD21 LEU A 82 -5.364 -12.730 7.532 1.00 1.65 H new ATOM 0 HD22 LEU A 82 -4.041 -12.551 6.356 1.00 1.65 H new ATOM 0 HD23 LEU A 82 -4.964 -11.123 6.880 1.00 1.65 H new ATOM 1283 N GLU A 83 -7.268 -12.390 1.438 1.00 0.76 N ATOM 1284 CA GLU A 83 -7.886 -13.490 0.746 1.00 0.82 C ATOM 1285 C GLU A 83 -7.017 -14.714 0.944 1.00 1.29 C ATOM 1286 O GLU A 83 -5.800 -14.597 1.105 1.00 2.03 O ATOM 1287 CB GLU A 83 -8.046 -13.165 -0.740 1.00 1.39 C ATOM 1288 CG GLU A 83 -9.139 -12.147 -1.023 1.00 1.89 C ATOM 1289 CD GLU A 83 -10.503 -12.631 -0.574 1.00 2.05 C ATOM 1290 OE1 GLU A 83 -10.928 -13.720 -1.026 1.00 2.36 O ATOM 1291 OE2 GLU A 83 -11.159 -11.932 0.229 1.00 2.48 O ATOM 0 H GLU A 83 -6.675 -11.800 0.854 1.00 0.76 H new ATOM 0 HA GLU A 83 -8.883 -13.677 1.145 1.00 0.82 H new ATOM 0 HB2 GLU A 83 -7.099 -12.786 -1.125 1.00 1.39 H new ATOM 0 HB3 GLU A 83 -8.267 -14.084 -1.283 1.00 1.39 H new ATOM 0 HG2 GLU A 83 -8.902 -11.212 -0.516 1.00 1.89 H new ATOM 0 HG3 GLU A 83 -9.165 -11.932 -2.091 1.00 1.89 H new ATOM 1298 N GLU A 84 -7.614 -15.886 0.912 1.00 1.26 N ATOM 1299 CA GLU A 84 -6.898 -17.083 1.307 1.00 1.78 C ATOM 1300 C GLU A 84 -6.224 -17.723 0.107 1.00 1.46 C ATOM 1301 O GLU A 84 -5.795 -18.872 0.150 1.00 1.49 O ATOM 1302 CB GLU A 84 -7.849 -18.058 2.007 1.00 2.65 C ATOM 1303 CG GLU A 84 -8.535 -17.434 3.214 1.00 3.44 C ATOM 1304 CD GLU A 84 -9.318 -18.425 4.047 1.00 3.85 C ATOM 1305 OE1 GLU A 84 -10.517 -18.636 3.764 1.00 3.98 O ATOM 1306 OE2 GLU A 84 -8.747 -18.967 5.014 1.00 4.35 O ATOM 0 H GLU A 84 -8.580 -16.037 0.621 1.00 1.26 H new ATOM 0 HA GLU A 84 -6.115 -16.811 2.015 1.00 1.78 H new ATOM 0 HB2 GLU A 84 -8.604 -18.397 1.298 1.00 2.65 H new ATOM 0 HB3 GLU A 84 -7.292 -18.940 2.325 1.00 2.65 H new ATOM 0 HG2 GLU A 84 -7.783 -16.958 3.843 1.00 3.44 H new ATOM 0 HG3 GLU A 84 -9.208 -16.648 2.872 1.00 3.44 H new ATOM 1313 N ASN A 85 -6.093 -16.940 -0.956 1.00 1.98 N ATOM 1314 CA ASN A 85 -5.322 -17.347 -2.120 1.00 2.36 C ATOM 1315 C ASN A 85 -3.910 -16.778 -2.002 1.00 1.83 C ATOM 1316 O ASN A 85 -3.282 -16.400 -2.984 1.00 2.36 O ATOM 1317 CB ASN A 85 -6.007 -16.873 -3.413 1.00 3.24 C ATOM 1318 CG ASN A 85 -5.537 -17.622 -4.654 1.00 4.01 C ATOM 1319 OD1 ASN A 85 -6.079 -18.673 -4.997 1.00 4.69 O ATOM 1320 ND2 ASN A 85 -4.542 -17.085 -5.342 1.00 4.33 N ATOM 0 H ASN A 85 -6.514 -16.014 -1.034 1.00 1.98 H new ATOM 0 HA ASN A 85 -5.265 -18.435 -2.162 1.00 2.36 H new ATOM 0 HB2 ASN A 85 -7.085 -16.995 -3.310 1.00 3.24 H new ATOM 0 HB3 ASN A 85 -5.818 -15.808 -3.547 1.00 3.24 H new ATOM 0 HD21 ASN A 85 -4.200 -17.543 -6.187 1.00 4.33 H new ATOM 0 HD22 ASN A 85 -4.117 -16.213 -5.028 1.00 4.33 H new ATOM 1327 N HIS A 86 -3.442 -16.730 -0.760 1.00 1.13 N ATOM 1328 CA HIS A 86 -2.100 -16.229 -0.414 1.00 1.29 C ATOM 1329 C HIS A 86 -1.884 -14.764 -0.804 1.00 1.07 C ATOM 1330 O HIS A 86 -0.819 -14.409 -1.309 1.00 1.43 O ATOM 1331 CB HIS A 86 -1.007 -17.088 -1.062 1.00 2.00 C ATOM 1332 CG HIS A 86 -0.928 -18.485 -0.538 1.00 2.54 C ATOM 1333 ND1 HIS A 86 -0.246 -19.490 -1.186 1.00 3.33 N ATOM 1334 CD2 HIS A 86 -1.443 -19.045 0.582 1.00 3.02 C ATOM 1335 CE1 HIS A 86 -0.346 -20.606 -0.492 1.00 3.99 C ATOM 1336 NE2 HIS A 86 -1.066 -20.363 0.586 1.00 3.81 N ATOM 0 H HIS A 86 -3.982 -17.039 0.049 1.00 1.13 H new ATOM 0 HA HIS A 86 -2.032 -16.296 0.672 1.00 1.29 H new ATOM 0 HB2 HIS A 86 -1.181 -17.126 -2.137 1.00 2.00 H new ATOM 0 HB3 HIS A 86 -0.043 -16.602 -0.912 1.00 2.00 H new ATOM 0 HD2 HIS A 86 -2.039 -18.547 1.332 1.00 3.02 H new ATOM 0 HE1 HIS A 86 0.088 -21.558 -0.760 1.00 3.99 H new ATOM 0 HE2 HIS A 86 -1.304 -21.045 1.306 1.00 3.81 H new ATOM 1345 N TYR A 87 -2.876 -13.911 -0.561 1.00 0.63 N ATOM 1346 CA TYR A 87 -2.737 -12.479 -0.840 1.00 0.49 C ATOM 1347 C TYR A 87 -3.499 -11.652 0.188 1.00 0.46 C ATOM 1348 O TYR A 87 -4.493 -12.110 0.746 1.00 0.61 O ATOM 1349 CB TYR A 87 -3.236 -12.136 -2.252 1.00 0.61 C ATOM 1350 CG TYR A 87 -2.335 -12.638 -3.361 1.00 1.00 C ATOM 1351 CD1 TYR A 87 -1.130 -12.008 -3.644 1.00 1.67 C ATOM 1352 CD2 TYR A 87 -2.699 -13.732 -4.134 1.00 1.38 C ATOM 1353 CE1 TYR A 87 -0.315 -12.453 -4.668 1.00 2.52 C ATOM 1354 CE2 TYR A 87 -1.888 -14.185 -5.156 1.00 2.16 C ATOM 1355 CZ TYR A 87 -0.664 -13.579 -5.374 1.00 2.70 C ATOM 1356 OH TYR A 87 0.106 -13.980 -6.448 1.00 3.60 O ATOM 0 H TYR A 87 -3.780 -14.181 -0.174 1.00 0.63 H new ATOM 0 HA TYR A 87 -1.676 -12.236 -0.778 1.00 0.49 H new ATOM 0 HB2 TYR A 87 -4.232 -12.558 -2.387 1.00 0.61 H new ATOM 0 HB3 TYR A 87 -3.334 -11.054 -2.339 1.00 0.61 H new ATOM 0 HD1 TYR A 87 -0.825 -11.156 -3.054 1.00 1.67 H new ATOM 0 HD2 TYR A 87 -3.632 -14.237 -3.933 1.00 1.38 H new ATOM 0 HE1 TYR A 87 0.591 -11.919 -4.912 1.00 2.52 H new ATOM 0 HE2 TYR A 87 -2.207 -15.006 -5.780 1.00 2.16 H new ATOM 0 HH TYR A 87 -0.275 -14.794 -6.838 1.00 3.60 H new ATOM 1366 N ASN A 88 -3.018 -10.445 0.450 1.00 0.38 N ATOM 1367 CA ASN A 88 -3.694 -9.528 1.350 1.00 0.38 C ATOM 1368 C ASN A 88 -4.281 -8.364 0.581 1.00 0.34 C ATOM 1369 O ASN A 88 -3.719 -7.907 -0.416 1.00 0.36 O ATOM 1370 CB ASN A 88 -2.751 -9.012 2.438 1.00 0.43 C ATOM 1371 CG ASN A 88 -1.378 -8.632 1.926 1.00 0.98 C ATOM 1372 OD1 ASN A 88 -0.477 -9.467 1.865 1.00 1.80 O ATOM 1373 ND2 ASN A 88 -1.202 -7.368 1.569 1.00 1.60 N ATOM 0 H ASN A 88 -2.156 -10.078 0.048 1.00 0.38 H new ATOM 0 HA ASN A 88 -4.500 -10.079 1.834 1.00 0.38 H new ATOM 0 HB2 ASN A 88 -3.204 -8.143 2.916 1.00 0.43 H new ATOM 0 HB3 ASN A 88 -2.643 -9.778 3.206 1.00 0.43 H new ATOM 0 HD21 ASN A 88 -0.293 -7.056 1.228 1.00 1.60 H new ATOM 0 HD22 ASN A 88 -1.976 -6.707 1.635 1.00 1.60 H new ATOM 1380 N THR A 89 -5.426 -7.918 1.041 1.00 0.36 N ATOM 1381 CA THR A 89 -6.138 -6.822 0.431 1.00 0.37 C ATOM 1382 C THR A 89 -6.401 -5.746 1.485 1.00 0.37 C ATOM 1383 O THR A 89 -6.211 -5.995 2.673 1.00 0.40 O ATOM 1384 CB THR A 89 -7.461 -7.349 -0.158 1.00 0.44 C ATOM 1385 OG1 THR A 89 -7.199 -8.519 -0.946 1.00 0.50 O ATOM 1386 CG2 THR A 89 -8.130 -6.305 -1.036 1.00 0.49 C ATOM 0 H THR A 89 -5.894 -8.311 1.858 1.00 0.36 H new ATOM 0 HA THR A 89 -5.547 -6.384 -0.373 1.00 0.37 H new ATOM 0 HB THR A 89 -8.129 -7.586 0.670 1.00 0.44 H new ATOM 0 HG1 THR A 89 -8.040 -8.856 -1.320 1.00 0.50 H new ATOM 0 HG21 THR A 89 -9.060 -6.708 -1.436 1.00 0.49 H new ATOM 0 HG22 THR A 89 -8.345 -5.415 -0.444 1.00 0.49 H new ATOM 0 HG23 THR A 89 -7.465 -6.042 -1.859 1.00 0.49 H new ATOM 1394 N TYR A 90 -6.801 -4.553 1.067 1.00 0.40 N ATOM 1395 CA TYR A 90 -7.151 -3.497 2.010 1.00 0.42 C ATOM 1396 C TYR A 90 -8.540 -2.952 1.706 1.00 0.38 C ATOM 1397 O TYR A 90 -8.993 -2.981 0.560 1.00 0.42 O ATOM 1398 CB TYR A 90 -6.135 -2.344 1.965 1.00 0.49 C ATOM 1399 CG TYR A 90 -4.723 -2.721 2.362 1.00 0.54 C ATOM 1400 CD1 TYR A 90 -4.478 -3.620 3.393 1.00 0.57 C ATOM 1401 CD2 TYR A 90 -3.629 -2.167 1.707 1.00 0.76 C ATOM 1402 CE1 TYR A 90 -3.189 -3.957 3.758 1.00 0.67 C ATOM 1403 CE2 TYR A 90 -2.337 -2.499 2.066 1.00 0.85 C ATOM 1404 CZ TYR A 90 -2.123 -3.395 3.089 1.00 0.75 C ATOM 1405 OH TYR A 90 -0.837 -3.727 3.449 1.00 0.87 O ATOM 0 H TYR A 90 -6.891 -4.292 0.085 1.00 0.40 H new ATOM 0 HA TYR A 90 -7.138 -3.935 3.008 1.00 0.42 H new ATOM 0 HB2 TYR A 90 -6.116 -1.936 0.955 1.00 0.49 H new ATOM 0 HB3 TYR A 90 -6.482 -1.548 2.624 1.00 0.49 H new ATOM 0 HD1 TYR A 90 -5.311 -4.063 3.919 1.00 0.57 H new ATOM 0 HD2 TYR A 90 -3.792 -1.464 0.903 1.00 0.76 H new ATOM 0 HE1 TYR A 90 -3.018 -4.657 4.563 1.00 0.67 H new ATOM 0 HE2 TYR A 90 -1.499 -2.058 1.547 1.00 0.85 H new ATOM 0 HH TYR A 90 -0.252 -3.665 2.665 1.00 0.87 H new ATOM 1415 N ILE A 91 -9.213 -2.467 2.734 1.00 0.35 N ATOM 1416 CA ILE A 91 -10.488 -1.799 2.578 1.00 0.35 C ATOM 1417 C ILE A 91 -10.328 -0.381 3.088 1.00 0.36 C ATOM 1418 O ILE A 91 -9.613 -0.153 4.057 1.00 0.41 O ATOM 1419 CB ILE A 91 -11.627 -2.545 3.332 1.00 0.42 C ATOM 1420 CG1 ILE A 91 -12.853 -2.674 2.438 1.00 1.12 C ATOM 1421 CG2 ILE A 91 -12.015 -1.844 4.627 1.00 0.88 C ATOM 1422 CD1 ILE A 91 -12.630 -3.551 1.227 1.00 1.55 C ATOM 0 H ILE A 91 -8.889 -2.526 3.699 1.00 0.35 H new ATOM 0 HA ILE A 91 -10.776 -1.793 1.527 1.00 0.35 H new ATOM 0 HB ILE A 91 -11.247 -3.534 3.588 1.00 0.42 H new ATOM 0 HG12 ILE A 91 -13.678 -3.080 3.023 1.00 1.12 H new ATOM 0 HG13 ILE A 91 -13.156 -1.681 2.106 1.00 1.12 H new ATOM 0 HG21 ILE A 91 -12.813 -2.401 5.117 1.00 0.88 H new ATOM 0 HG22 ILE A 91 -11.149 -1.793 5.287 1.00 0.88 H new ATOM 0 HG23 ILE A 91 -12.361 -0.835 4.405 1.00 0.88 H new ATOM 0 HD11 ILE A 91 -13.545 -3.596 0.637 1.00 1.55 H new ATOM 0 HD12 ILE A 91 -11.827 -3.134 0.619 1.00 1.55 H new ATOM 0 HD13 ILE A 91 -12.357 -4.555 1.550 1.00 1.55 H new ATOM 1434 N SER A 92 -11.020 0.557 2.492 1.00 0.36 N ATOM 1435 CA SER A 92 -10.758 1.955 2.757 1.00 0.40 C ATOM 1436 C SER A 92 -11.508 2.387 3.982 1.00 0.43 C ATOM 1437 O SER A 92 -12.722 2.533 3.970 1.00 0.53 O ATOM 1438 CB SER A 92 -11.151 2.811 1.561 1.00 0.47 C ATOM 1439 OG SER A 92 -10.783 4.161 1.770 1.00 1.33 O ATOM 0 H SER A 92 -11.768 0.382 1.821 1.00 0.36 H new ATOM 0 HA SER A 92 -9.690 2.087 2.930 1.00 0.40 H new ATOM 0 HB2 SER A 92 -10.666 2.432 0.661 1.00 0.47 H new ATOM 0 HB3 SER A 92 -12.226 2.743 1.397 1.00 0.47 H new ATOM 0 HG SER A 92 -11.585 4.694 1.952 1.00 1.33 H new ATOM 1445 N LYS A 93 -10.743 2.565 5.051 1.00 0.44 N ATOM 1446 CA LYS A 93 -11.287 2.939 6.340 1.00 0.54 C ATOM 1447 C LYS A 93 -11.667 4.396 6.320 1.00 0.57 C ATOM 1448 O LYS A 93 -12.304 4.895 7.243 1.00 0.72 O ATOM 1449 CB LYS A 93 -10.242 2.716 7.427 1.00 0.65 C ATOM 1450 CG LYS A 93 -10.599 1.632 8.419 1.00 0.84 C ATOM 1451 CD LYS A 93 -9.772 1.770 9.691 1.00 1.27 C ATOM 1452 CE LYS A 93 -9.972 0.597 10.639 1.00 1.20 C ATOM 1453 NZ LYS A 93 -9.325 -0.637 10.131 1.00 1.58 N ATOM 0 H LYS A 93 -9.729 2.453 5.044 1.00 0.44 H new ATOM 0 HA LYS A 93 -12.165 2.328 6.547 1.00 0.54 H new ATOM 0 HB2 LYS A 93 -9.292 2.463 6.956 1.00 0.65 H new ATOM 0 HB3 LYS A 93 -10.091 3.651 7.967 1.00 0.65 H new ATOM 0 HG2 LYS A 93 -11.660 1.690 8.662 1.00 0.84 H new ATOM 0 HG3 LYS A 93 -10.427 0.653 7.972 1.00 0.84 H new ATOM 0 HD2 LYS A 93 -8.717 1.847 9.429 1.00 1.27 H new ATOM 0 HD3 LYS A 93 -10.043 2.695 10.199 1.00 1.27 H new ATOM 0 HE2 LYS A 93 -9.562 0.846 11.618 1.00 1.20 H new ATOM 0 HE3 LYS A 93 -11.038 0.418 10.777 1.00 1.20 H new ATOM 0 HZ1 LYS A 93 -9.686 -1.459 10.655 1.00 1.58 H new ATOM 0 HZ2 LYS A 93 -9.539 -0.750 9.119 1.00 1.58 H new ATOM 0 HZ3 LYS A 93 -8.296 -0.568 10.262 1.00 1.58 H new ATOM 1467 N LYS A 94 -11.311 5.044 5.222 1.00 0.52 N ATOM 1468 CA LYS A 94 -11.742 6.400 4.955 1.00 0.67 C ATOM 1469 C LYS A 94 -13.262 6.416 5.029 1.00 0.79 C ATOM 1470 O LYS A 94 -13.834 6.757 6.065 1.00 0.97 O ATOM 1471 CB LYS A 94 -11.222 6.873 3.585 1.00 0.69 C ATOM 1472 CG LYS A 94 -10.785 8.334 3.537 1.00 1.21 C ATOM 1473 CD LYS A 94 -11.847 9.289 4.066 1.00 1.56 C ATOM 1474 CE LYS A 94 -13.035 9.401 3.125 1.00 2.00 C ATOM 1475 NZ LYS A 94 -14.021 10.408 3.598 1.00 2.32 N ATOM 0 H LYS A 94 -10.717 4.643 4.496 1.00 0.52 H new ATOM 0 HA LYS A 94 -11.335 7.094 5.691 1.00 0.67 H new ATOM 0 HB2 LYS A 94 -10.378 6.246 3.296 1.00 0.69 H new ATOM 0 HB3 LYS A 94 -12.004 6.718 2.842 1.00 0.69 H new ATOM 0 HG2 LYS A 94 -9.872 8.454 4.121 1.00 1.21 H new ATOM 0 HG3 LYS A 94 -10.543 8.602 2.509 1.00 1.21 H new ATOM 0 HD2 LYS A 94 -12.189 8.945 5.042 1.00 1.56 H new ATOM 0 HD3 LYS A 94 -11.407 10.275 4.212 1.00 1.56 H new ATOM 0 HE2 LYS A 94 -12.686 9.674 2.129 1.00 2.00 H new ATOM 0 HE3 LYS A 94 -13.521 8.430 3.037 1.00 2.00 H new ATOM 0 HZ1 LYS A 94 -14.817 10.455 2.930 1.00 2.32 H new ATOM 0 HZ2 LYS A 94 -14.374 10.134 4.537 1.00 2.32 H new ATOM 0 HZ3 LYS A 94 -13.564 11.340 3.658 1.00 2.32 H new ATOM 1489 N HIS A 95 -13.942 6.046 3.962 1.00 0.76 N ATOM 1490 CA HIS A 95 -15.358 5.777 4.126 1.00 0.96 C ATOM 1491 C HIS A 95 -15.623 4.274 4.204 1.00 1.01 C ATOM 1492 O HIS A 95 -16.365 3.714 3.392 1.00 1.23 O ATOM 1493 CB HIS A 95 -16.288 6.542 3.153 1.00 1.06 C ATOM 1494 CG HIS A 95 -16.180 6.261 1.683 1.00 0.99 C ATOM 1495 ND1 HIS A 95 -16.077 5.002 1.149 1.00 1.55 N ATOM 1496 CD2 HIS A 95 -16.283 7.104 0.630 1.00 1.69 C ATOM 1497 CE1 HIS A 95 -16.130 5.077 -0.164 1.00 2.27 C ATOM 1498 NE2 HIS A 95 -16.258 6.343 -0.508 1.00 2.32 N ATOM 0 H HIS A 95 -13.565 5.929 3.021 1.00 0.76 H new ATOM 0 HA HIS A 95 -15.640 6.201 5.090 1.00 0.96 H new ATOM 0 HB2 HIS A 95 -17.317 6.342 3.453 1.00 1.06 H new ATOM 0 HB3 HIS A 95 -16.115 7.608 3.299 1.00 1.06 H new ATOM 0 HD1 HIS A 95 -15.975 4.141 1.686 1.00 1.55 H new ATOM 0 HD2 HIS A 95 -16.369 8.179 0.678 1.00 1.69 H new ATOM 0 HE1 HIS A 95 -16.077 4.241 -0.846 1.00 2.27 H new ATOM 1507 N ALA A 96 -14.998 3.628 5.195 1.00 0.94 N ATOM 1508 CA ALA A 96 -15.106 2.176 5.399 1.00 1.02 C ATOM 1509 C ALA A 96 -16.541 1.686 5.298 1.00 1.03 C ATOM 1510 O ALA A 96 -16.806 0.611 4.751 1.00 1.05 O ATOM 1511 CB ALA A 96 -14.521 1.789 6.750 1.00 1.18 C ATOM 0 H ALA A 96 -14.403 4.096 5.879 1.00 0.94 H new ATOM 0 HA ALA A 96 -14.538 1.696 4.602 1.00 1.02 H new ATOM 0 HB1 ALA A 96 -14.607 0.711 6.889 1.00 1.18 H new ATOM 0 HB2 ALA A 96 -13.470 2.077 6.787 1.00 1.18 H new ATOM 0 HB3 ALA A 96 -15.066 2.301 7.543 1.00 1.18 H new ATOM 1517 N GLU A 97 -17.459 2.504 5.793 1.00 1.07 N ATOM 1518 CA GLU A 97 -18.876 2.157 5.828 1.00 1.16 C ATOM 1519 C GLU A 97 -19.429 1.822 4.438 1.00 1.07 C ATOM 1520 O GLU A 97 -20.398 1.072 4.318 1.00 1.18 O ATOM 1521 CB GLU A 97 -19.675 3.312 6.435 1.00 1.30 C ATOM 1522 CG GLU A 97 -19.462 4.634 5.715 1.00 2.04 C ATOM 1523 CD GLU A 97 -20.284 5.762 6.295 1.00 2.81 C ATOM 1524 OE1 GLU A 97 -19.918 6.278 7.371 1.00 3.22 O ATOM 1525 OE2 GLU A 97 -21.313 6.126 5.690 1.00 3.42 O ATOM 0 H GLU A 97 -17.246 3.423 6.180 1.00 1.07 H new ATOM 0 HA GLU A 97 -18.978 1.264 6.444 1.00 1.16 H new ATOM 0 HB2 GLU A 97 -20.736 3.062 6.414 1.00 1.30 H new ATOM 0 HB3 GLU A 97 -19.395 3.427 7.482 1.00 1.30 H new ATOM 0 HG2 GLU A 97 -18.406 4.900 5.761 1.00 2.04 H new ATOM 0 HG3 GLU A 97 -19.714 4.512 4.662 1.00 2.04 H new ATOM 1532 N LYS A 98 -18.814 2.361 3.385 1.00 0.92 N ATOM 1533 CA LYS A 98 -19.363 2.182 2.041 1.00 0.88 C ATOM 1534 C LYS A 98 -18.755 0.976 1.327 1.00 0.83 C ATOM 1535 O LYS A 98 -19.139 0.672 0.195 1.00 0.83 O ATOM 1536 CB LYS A 98 -19.144 3.444 1.204 1.00 0.84 C ATOM 1537 CG LYS A 98 -19.853 4.677 1.749 1.00 1.41 C ATOM 1538 CD LYS A 98 -21.364 4.489 1.806 1.00 1.98 C ATOM 1539 CE LYS A 98 -21.958 4.238 0.426 1.00 2.14 C ATOM 1540 NZ LYS A 98 -23.441 4.138 0.470 1.00 2.65 N ATOM 0 H LYS A 98 -17.957 2.912 3.432 1.00 0.92 H new ATOM 0 HA LYS A 98 -20.432 1.998 2.152 1.00 0.88 H new ATOM 0 HB2 LYS A 98 -18.075 3.648 1.145 1.00 0.84 H new ATOM 0 HB3 LYS A 98 -19.489 3.258 0.187 1.00 0.84 H new ATOM 0 HG2 LYS A 98 -19.478 4.899 2.748 1.00 1.41 H new ATOM 0 HG3 LYS A 98 -19.618 5.537 1.122 1.00 1.41 H new ATOM 0 HD2 LYS A 98 -21.601 3.651 2.461 1.00 1.98 H new ATOM 0 HD3 LYS A 98 -21.824 5.375 2.243 1.00 1.98 H new ATOM 0 HE2 LYS A 98 -21.668 5.046 -0.246 1.00 2.14 H new ATOM 0 HE3 LYS A 98 -21.544 3.317 0.015 1.00 2.14 H new ATOM 0 HZ1 LYS A 98 -23.806 3.967 -0.489 1.00 2.65 H new ATOM 0 HZ2 LYS A 98 -23.718 3.351 1.091 1.00 2.65 H new ATOM 0 HZ3 LYS A 98 -23.838 5.026 0.838 1.00 2.65 H new ATOM 1554 N ASN A 99 -17.790 0.317 1.968 1.00 0.82 N ATOM 1555 CA ASN A 99 -17.332 -1.016 1.546 1.00 0.84 C ATOM 1556 C ASN A 99 -16.406 -0.957 0.323 1.00 0.68 C ATOM 1557 O ASN A 99 -16.245 -1.951 -0.387 1.00 0.74 O ATOM 1558 CB ASN A 99 -18.519 -1.959 1.286 1.00 1.01 C ATOM 1559 CG ASN A 99 -18.104 -3.424 1.234 1.00 1.34 C ATOM 1560 OD1 ASN A 99 -17.159 -3.840 1.909 1.00 1.96 O ATOM 1561 ND2 ASN A 99 -18.806 -4.211 0.435 1.00 2.00 N ATOM 0 H ASN A 99 -17.305 0.683 2.787 1.00 0.82 H new ATOM 0 HA ASN A 99 -16.748 -1.420 2.373 1.00 0.84 H new ATOM 0 HB2 ASN A 99 -19.264 -1.824 2.070 1.00 1.01 H new ATOM 0 HB3 ASN A 99 -18.995 -1.687 0.344 1.00 1.01 H new ATOM 0 HD21 ASN A 99 -18.573 -5.201 0.361 1.00 2.00 H new ATOM 0 HD22 ASN A 99 -19.581 -3.828 -0.107 1.00 2.00 H new ATOM 1568 N TRP A 100 -15.817 0.201 0.056 1.00 0.54 N ATOM 1569 CA TRP A 100 -14.906 0.334 -1.065 1.00 0.44 C ATOM 1570 C TRP A 100 -13.584 -0.360 -0.774 1.00 0.41 C ATOM 1571 O TRP A 100 -13.164 -0.459 0.379 1.00 0.45 O ATOM 1572 CB TRP A 100 -14.645 1.796 -1.358 1.00 0.51 C ATOM 1573 CG TRP A 100 -15.642 2.455 -2.263 1.00 0.52 C ATOM 1574 CD1 TRP A 100 -16.934 2.101 -2.528 1.00 1.03 C ATOM 1575 CD2 TRP A 100 -15.387 3.628 -3.009 1.00 0.54 C ATOM 1576 NE1 TRP A 100 -17.489 3.007 -3.413 1.00 1.33 N ATOM 1577 CE2 TRP A 100 -16.546 3.958 -3.719 1.00 1.01 C ATOM 1578 CE3 TRP A 100 -14.267 4.422 -3.131 1.00 0.62 C ATOM 1579 CZ2 TRP A 100 -16.602 5.081 -4.550 1.00 1.22 C ATOM 1580 CZ3 TRP A 100 -14.316 5.530 -3.944 1.00 0.82 C ATOM 1581 CH2 TRP A 100 -15.468 5.856 -4.647 1.00 1.01 C ATOM 0 H TRP A 100 -15.954 1.054 0.598 1.00 0.54 H new ATOM 0 HA TRP A 100 -15.371 -0.136 -1.932 1.00 0.44 H new ATOM 0 HB2 TRP A 100 -14.620 2.340 -0.414 1.00 0.51 H new ATOM 0 HB3 TRP A 100 -13.655 1.889 -1.805 1.00 0.51 H new ATOM 0 HD1 TRP A 100 -17.444 1.245 -2.111 1.00 1.03 H new ATOM 0 HE1 TRP A 100 -18.441 2.975 -3.778 1.00 1.33 H new ATOM 0 HE3 TRP A 100 -13.362 4.177 -2.595 1.00 0.62 H new ATOM 0 HZ2 TRP A 100 -17.500 5.331 -5.095 1.00 1.22 H new ATOM 0 HZ3 TRP A 100 -13.442 6.158 -4.037 1.00 0.82 H new ATOM 0 HH2 TRP A 100 -15.475 6.731 -5.280 1.00 1.01 H new ATOM 1592 N PHE A 101 -12.919 -0.801 -1.829 1.00 0.50 N ATOM 1593 CA PHE A 101 -11.692 -1.567 -1.697 1.00 0.51 C ATOM 1594 C PHE A 101 -10.494 -0.658 -1.885 1.00 0.55 C ATOM 1595 O PHE A 101 -10.562 0.311 -2.630 1.00 0.67 O ATOM 1596 CB PHE A 101 -11.636 -2.690 -2.741 1.00 0.60 C ATOM 1597 CG PHE A 101 -12.730 -3.716 -2.626 1.00 0.61 C ATOM 1598 CD1 PHE A 101 -14.004 -3.452 -3.101 1.00 0.62 C ATOM 1599 CD2 PHE A 101 -12.474 -4.954 -2.060 1.00 0.72 C ATOM 1600 CE1 PHE A 101 -15.002 -4.404 -3.013 1.00 0.71 C ATOM 1601 CE2 PHE A 101 -13.468 -5.908 -1.967 1.00 0.79 C ATOM 1602 CZ PHE A 101 -14.734 -5.632 -2.445 1.00 0.77 C ATOM 0 H PHE A 101 -13.212 -0.640 -2.793 1.00 0.50 H new ATOM 0 HA PHE A 101 -11.672 -2.007 -0.700 1.00 0.51 H new ATOM 0 HB2 PHE A 101 -11.678 -2.245 -3.735 1.00 0.60 H new ATOM 0 HB3 PHE A 101 -10.674 -3.195 -2.659 1.00 0.60 H new ATOM 0 HD1 PHE A 101 -14.220 -2.492 -3.545 1.00 0.62 H new ATOM 0 HD2 PHE A 101 -11.485 -5.176 -1.687 1.00 0.72 H new ATOM 0 HE1 PHE A 101 -15.991 -4.187 -3.389 1.00 0.71 H new ATOM 0 HE2 PHE A 101 -13.256 -6.869 -1.521 1.00 0.79 H new ATOM 0 HZ PHE A 101 -15.513 -6.377 -2.374 1.00 0.77 H new ATOM 1612 N VAL A 102 -9.414 -0.931 -1.187 1.00 0.52 N ATOM 1613 CA VAL A 102 -8.173 -0.255 -1.489 1.00 0.55 C ATOM 1614 C VAL A 102 -7.288 -1.181 -2.293 1.00 0.50 C ATOM 1615 O VAL A 102 -6.865 -2.227 -1.807 1.00 0.60 O ATOM 1616 CB VAL A 102 -7.421 0.196 -0.223 1.00 0.74 C ATOM 1617 CG1 VAL A 102 -6.065 0.795 -0.577 1.00 1.50 C ATOM 1618 CG2 VAL A 102 -8.254 1.198 0.547 1.00 1.27 C ATOM 0 H VAL A 102 -9.369 -1.603 -0.421 1.00 0.52 H new ATOM 0 HA VAL A 102 -8.418 0.642 -2.058 1.00 0.55 H new ATOM 0 HB VAL A 102 -7.250 -0.679 0.404 1.00 0.74 H new ATOM 0 HG11 VAL A 102 -5.555 1.105 0.335 1.00 1.50 H new ATOM 0 HG12 VAL A 102 -5.462 0.049 -1.094 1.00 1.50 H new ATOM 0 HG13 VAL A 102 -6.207 1.660 -1.225 1.00 1.50 H new ATOM 0 HG21 VAL A 102 -7.713 1.511 1.440 1.00 1.27 H new ATOM 0 HG22 VAL A 102 -8.450 2.067 -0.081 1.00 1.27 H new ATOM 0 HG23 VAL A 102 -9.199 0.739 0.837 1.00 1.27 H new ATOM 1628 N GLY A 103 -7.047 -0.805 -3.528 1.00 0.54 N ATOM 1629 CA GLY A 103 -6.124 -1.536 -4.356 1.00 0.61 C ATOM 1630 C GLY A 103 -5.220 -0.608 -5.100 1.00 0.54 C ATOM 1631 O GLY A 103 -5.596 0.506 -5.439 1.00 0.66 O ATOM 0 H GLY A 103 -7.478 0.002 -3.978 1.00 0.54 H new ATOM 0 HA2 GLY A 103 -5.530 -2.209 -3.738 1.00 0.61 H new ATOM 0 HA3 GLY A 103 -6.676 -2.156 -5.063 1.00 0.61 H new ATOM 1635 N LEU A 104 -4.022 -1.042 -5.324 1.00 0.53 N ATOM 1636 CA LEU A 104 -3.067 -0.229 -6.037 1.00 0.50 C ATOM 1637 C LEU A 104 -2.335 -1.032 -7.082 1.00 0.59 C ATOM 1638 O LEU A 104 -2.104 -2.228 -6.911 1.00 0.92 O ATOM 1639 CB LEU A 104 -2.086 0.434 -5.070 1.00 0.77 C ATOM 1640 CG LEU A 104 -1.725 -0.369 -3.819 1.00 1.07 C ATOM 1641 CD1 LEU A 104 -0.977 -1.644 -4.176 1.00 1.62 C ATOM 1642 CD2 LEU A 104 -0.896 0.489 -2.886 1.00 1.27 C ATOM 0 H LEU A 104 -3.673 -1.953 -5.027 1.00 0.53 H new ATOM 0 HA LEU A 104 -3.619 0.557 -6.552 1.00 0.50 H new ATOM 0 HB2 LEU A 104 -1.167 0.655 -5.612 1.00 0.77 H new ATOM 0 HB3 LEU A 104 -2.508 1.388 -4.755 1.00 0.77 H new ATOM 0 HG LEU A 104 -2.648 -0.660 -3.317 1.00 1.07 H new ATOM 0 HD11 LEU A 104 -0.735 -2.191 -3.265 1.00 1.62 H new ATOM 0 HD12 LEU A 104 -1.602 -2.265 -4.817 1.00 1.62 H new ATOM 0 HD13 LEU A 104 -0.057 -1.391 -4.702 1.00 1.62 H new ATOM 0 HD21 LEU A 104 -0.640 -0.085 -1.995 1.00 1.27 H new ATOM 0 HD22 LEU A 104 0.018 0.800 -3.393 1.00 1.27 H new ATOM 0 HD23 LEU A 104 -1.468 1.371 -2.597 1.00 1.27 H new ATOM 1654 N LYS A 105 -1.951 -0.397 -8.164 1.00 0.49 N ATOM 1655 CA LYS A 105 -1.002 -1.038 -9.039 1.00 0.54 C ATOM 1656 C LYS A 105 0.382 -0.589 -8.671 1.00 0.49 C ATOM 1657 O LYS A 105 0.853 0.421 -9.125 1.00 0.55 O ATOM 1658 CB LYS A 105 -1.278 -0.667 -10.503 1.00 0.70 C ATOM 1659 CG LYS A 105 -2.189 -1.617 -11.259 1.00 0.94 C ATOM 1660 CD LYS A 105 -1.426 -2.822 -11.780 1.00 1.55 C ATOM 1661 CE LYS A 105 -1.990 -3.301 -13.108 1.00 1.97 C ATOM 1662 NZ LYS A 105 -3.407 -3.732 -12.999 1.00 2.09 N ATOM 0 H LYS A 105 -2.267 0.529 -8.452 1.00 0.49 H new ATOM 0 HA LYS A 105 -1.094 -2.118 -8.928 1.00 0.54 H new ATOM 0 HB2 LYS A 105 -1.719 0.329 -10.530 1.00 0.70 H new ATOM 0 HB3 LYS A 105 -0.326 -0.608 -11.030 1.00 0.70 H new ATOM 0 HG2 LYS A 105 -2.994 -1.950 -10.604 1.00 0.94 H new ATOM 0 HG3 LYS A 105 -2.654 -1.091 -12.093 1.00 0.94 H new ATOM 0 HD2 LYS A 105 -0.374 -2.564 -11.901 1.00 1.55 H new ATOM 0 HD3 LYS A 105 -1.474 -3.629 -11.049 1.00 1.55 H new ATOM 0 HE2 LYS A 105 -1.912 -2.500 -13.843 1.00 1.97 H new ATOM 0 HE3 LYS A 105 -1.388 -4.131 -13.477 1.00 1.97 H new ATOM 0 HZ1 LYS A 105 -3.761 -4.001 -13.939 1.00 2.09 H new ATOM 0 HZ2 LYS A 105 -3.473 -4.548 -12.357 1.00 2.09 H new ATOM 0 HZ3 LYS A 105 -3.980 -2.949 -12.624 1.00 2.09 H new ATOM 1676 N LYS A 106 1.099 -1.403 -7.953 1.00 0.46 N ATOM 1677 CA LYS A 106 2.495 -1.121 -7.794 1.00 0.44 C ATOM 1678 C LYS A 106 3.126 -1.408 -9.128 1.00 0.44 C ATOM 1679 O LYS A 106 4.112 -0.810 -9.511 1.00 0.46 O ATOM 1680 CB LYS A 106 3.118 -1.924 -6.643 1.00 0.51 C ATOM 1681 CG LYS A 106 4.623 -2.063 -6.702 1.00 0.81 C ATOM 1682 CD LYS A 106 5.103 -3.519 -6.744 1.00 1.11 C ATOM 1683 CE LYS A 106 4.818 -4.199 -8.077 1.00 1.02 C ATOM 1684 NZ LYS A 106 5.336 -5.597 -8.116 1.00 1.57 N ATOM 0 H LYS A 106 0.756 -2.240 -7.482 1.00 0.46 H new ATOM 0 HA LYS A 106 2.665 -0.082 -7.510 1.00 0.44 H new ATOM 0 HB2 LYS A 106 2.849 -1.448 -5.700 1.00 0.51 H new ATOM 0 HB3 LYS A 106 2.676 -2.920 -6.634 1.00 0.51 H new ATOM 0 HG2 LYS A 106 4.994 -1.541 -7.584 1.00 0.81 H new ATOM 0 HG3 LYS A 106 5.060 -1.570 -5.833 1.00 0.81 H new ATOM 0 HD2 LYS A 106 6.175 -3.549 -6.549 1.00 1.11 H new ATOM 0 HD3 LYS A 106 4.618 -4.079 -5.945 1.00 1.11 H new ATOM 0 HE2 LYS A 106 3.743 -4.206 -8.257 1.00 1.02 H new ATOM 0 HE3 LYS A 106 5.272 -3.622 -8.882 1.00 1.02 H new ATOM 0 HZ1 LYS A 106 5.867 -5.746 -8.997 1.00 1.57 H new ATOM 0 HZ2 LYS A 106 5.963 -5.758 -7.302 1.00 1.57 H new ATOM 0 HZ3 LYS A 106 4.539 -6.264 -8.076 1.00 1.57 H new ATOM 1698 N ASN A 107 2.473 -2.265 -9.900 1.00 0.50 N ATOM 1699 CA ASN A 107 3.005 -2.600 -11.194 1.00 0.56 C ATOM 1700 C ASN A 107 2.856 -1.405 -12.125 1.00 0.60 C ATOM 1701 O ASN A 107 3.481 -1.337 -13.180 1.00 0.70 O ATOM 1702 CB ASN A 107 2.213 -3.769 -11.783 1.00 0.67 C ATOM 1703 CG ASN A 107 2.223 -5.009 -10.929 1.00 1.47 C ATOM 1704 OD1 ASN A 107 3.200 -5.321 -10.244 1.00 2.40 O ATOM 1705 ND2 ASN A 107 1.123 -5.726 -10.965 1.00 1.84 N ATOM 0 H ASN A 107 1.597 -2.726 -9.654 1.00 0.50 H new ATOM 0 HA ASN A 107 4.056 -2.871 -11.090 1.00 0.56 H new ATOM 0 HB2 ASN A 107 1.181 -3.454 -11.936 1.00 0.67 H new ATOM 0 HB3 ASN A 107 2.621 -4.013 -12.764 1.00 0.67 H new ATOM 0 HD21 ASN A 107 1.052 -6.580 -10.411 1.00 1.84 H new ATOM 0 HD22 ASN A 107 0.339 -5.429 -11.547 1.00 1.84 H new ATOM 1712 N GLY A 108 2.021 -0.463 -11.713 1.00 0.56 N ATOM 1713 CA GLY A 108 1.933 0.814 -12.371 1.00 0.65 C ATOM 1714 C GLY A 108 2.081 1.951 -11.391 1.00 0.60 C ATOM 1715 O GLY A 108 3.173 2.410 -11.038 1.00 0.71 O ATOM 0 H GLY A 108 1.392 -0.570 -10.917 1.00 0.56 H new ATOM 0 HA2 GLY A 108 2.709 0.886 -13.134 1.00 0.65 H new ATOM 0 HA3 GLY A 108 0.974 0.896 -12.883 1.00 0.65 H new ATOM 1719 N SER A 109 0.915 2.249 -10.853 1.00 0.53 N ATOM 1720 CA SER A 109 0.621 3.418 -10.068 1.00 0.64 C ATOM 1721 C SER A 109 -0.429 3.027 -9.042 1.00 0.54 C ATOM 1722 O SER A 109 -1.114 2.022 -9.217 1.00 0.54 O ATOM 1723 CB SER A 109 0.065 4.515 -10.980 1.00 0.93 C ATOM 1724 OG SER A 109 -0.942 4.004 -11.842 1.00 1.50 O ATOM 0 H SER A 109 0.103 1.641 -10.962 1.00 0.53 H new ATOM 0 HA SER A 109 1.519 3.792 -9.576 1.00 0.64 H new ATOM 0 HB2 SER A 109 -0.347 5.322 -10.374 1.00 0.93 H new ATOM 0 HB3 SER A 109 0.873 4.943 -11.574 1.00 0.93 H new ATOM 0 HG SER A 109 -1.281 4.725 -12.412 1.00 1.50 H new ATOM 1730 N CYS A 110 -0.653 3.844 -8.048 1.00 0.76 N ATOM 1731 CA CYS A 110 -1.601 3.482 -7.022 1.00 0.82 C ATOM 1732 C CYS A 110 -2.998 3.696 -7.575 1.00 0.66 C ATOM 1733 O CYS A 110 -3.278 4.685 -8.253 1.00 1.17 O ATOM 1734 CB CYS A 110 -1.348 4.347 -5.802 1.00 1.35 C ATOM 1735 SG CYS A 110 -0.616 3.467 -4.413 1.00 2.32 S ATOM 0 H CYS A 110 -0.202 4.751 -7.925 1.00 0.76 H new ATOM 0 HA CYS A 110 -1.496 2.438 -6.728 1.00 0.82 H new ATOM 0 HB2 CYS A 110 -0.691 5.170 -6.084 1.00 1.35 H new ATOM 0 HB3 CYS A 110 -2.292 4.788 -5.481 1.00 1.35 H new ATOM 0 HG CYS A 110 -0.820 4.138 -3.318 1.00 2.32 H new ATOM 1741 N LYS A 111 -3.867 2.731 -7.298 1.00 0.72 N ATOM 1742 CA LYS A 111 -4.922 2.400 -8.222 1.00 1.00 C ATOM 1743 C LYS A 111 -6.238 2.845 -7.691 1.00 0.75 C ATOM 1744 O LYS A 111 -6.599 2.590 -6.559 1.00 1.56 O ATOM 1745 CB LYS A 111 -4.956 0.903 -8.526 1.00 2.13 C ATOM 1746 CG LYS A 111 -5.397 0.600 -9.947 1.00 2.53 C ATOM 1747 CD LYS A 111 -4.356 1.075 -10.951 1.00 2.18 C ATOM 1748 CE LYS A 111 -4.888 1.059 -12.374 1.00 3.01 C ATOM 1749 NZ LYS A 111 -5.859 2.157 -12.611 1.00 3.59 N ATOM 0 H LYS A 111 -3.855 2.173 -6.444 1.00 0.72 H new ATOM 0 HA LYS A 111 -4.718 2.926 -9.155 1.00 1.00 H new ATOM 0 HB2 LYS A 111 -3.965 0.481 -8.360 1.00 2.13 H new ATOM 0 HB3 LYS A 111 -5.633 0.411 -7.828 1.00 2.13 H new ATOM 0 HG2 LYS A 111 -5.556 -0.472 -10.062 1.00 2.53 H new ATOM 0 HG3 LYS A 111 -6.351 1.087 -10.148 1.00 2.53 H new ATOM 0 HD2 LYS A 111 -4.039 2.086 -10.694 1.00 2.18 H new ATOM 0 HD3 LYS A 111 -3.474 0.438 -10.887 1.00 2.18 H new ATOM 0 HE2 LYS A 111 -4.057 1.151 -13.074 1.00 3.01 H new ATOM 0 HE3 LYS A 111 -5.367 0.100 -12.572 1.00 3.01 H new ATOM 0 HZ1 LYS A 111 -6.071 2.220 -13.627 1.00 3.59 H new ATOM 0 HZ2 LYS A 111 -6.736 1.964 -12.086 1.00 3.59 H new ATOM 0 HZ3 LYS A 111 -5.451 3.057 -12.286 1.00 3.59 H new ATOM 1763 N ARG A 112 -6.995 3.400 -8.561 1.00 0.95 N ATOM 1764 CA ARG A 112 -8.058 4.255 -8.175 1.00 1.36 C ATOM 1765 C ARG A 112 -9.344 3.460 -8.019 1.00 1.14 C ATOM 1766 O ARG A 112 -9.469 2.338 -8.522 1.00 1.79 O ATOM 1767 CB ARG A 112 -8.200 5.331 -9.254 1.00 2.63 C ATOM 1768 CG ARG A 112 -6.889 5.592 -9.990 1.00 3.07 C ATOM 1769 CD ARG A 112 -6.292 6.943 -9.644 1.00 4.09 C ATOM 1770 NE ARG A 112 -6.962 8.034 -10.345 1.00 4.81 N ATOM 1771 CZ ARG A 112 -6.374 8.788 -11.275 1.00 5.78 C ATOM 1772 NH1 ARG A 112 -5.122 8.535 -11.643 1.00 6.20 N ATOM 1773 NH2 ARG A 112 -7.045 9.780 -11.844 1.00 6.59 N ATOM 0 H ARG A 112 -6.896 3.275 -9.568 1.00 0.95 H new ATOM 0 HA ARG A 112 -7.850 4.721 -7.212 1.00 1.36 H new ATOM 0 HB2 ARG A 112 -8.962 5.025 -9.971 1.00 2.63 H new ATOM 0 HB3 ARG A 112 -8.547 6.257 -8.796 1.00 2.63 H new ATOM 0 HG2 ARG A 112 -6.174 4.807 -9.743 1.00 3.07 H new ATOM 0 HG3 ARG A 112 -7.062 5.538 -11.065 1.00 3.07 H new ATOM 0 HD2 ARG A 112 -6.363 7.106 -8.569 1.00 4.09 H new ATOM 0 HD3 ARG A 112 -5.232 6.946 -9.898 1.00 4.09 H new ATOM 0 HE ARG A 112 -7.935 8.231 -10.110 1.00 4.81 H new ATOM 0 HH11 ARG A 112 -4.610 7.764 -11.214 1.00 6.20 H new ATOM 0 HH12 ARG A 112 -4.673 9.112 -12.354 1.00 6.20 H new ATOM 0 HH21 ARG A 112 -8.010 9.966 -11.570 1.00 6.59 H new ATOM 0 HH22 ARG A 112 -6.596 10.357 -12.555 1.00 6.59 H new ATOM 1787 N GLY A 113 -10.305 4.089 -7.360 1.00 0.81 N ATOM 1788 CA GLY A 113 -11.489 3.409 -6.869 1.00 0.76 C ATOM 1789 C GLY A 113 -12.378 2.825 -7.959 1.00 0.77 C ATOM 1790 O GLY A 113 -13.078 1.848 -7.696 1.00 0.80 O ATOM 0 H GLY A 113 -10.284 5.087 -7.151 1.00 0.81 H new ATOM 0 HA2 GLY A 113 -11.180 2.606 -6.200 1.00 0.76 H new ATOM 0 HA3 GLY A 113 -12.076 4.110 -6.276 1.00 0.76 H new ATOM 1794 N PRO A 114 -12.410 3.388 -9.187 1.00 0.90 N ATOM 1795 CA PRO A 114 -13.046 2.724 -10.328 1.00 1.07 C ATOM 1796 C PRO A 114 -12.655 1.245 -10.501 1.00 0.90 C ATOM 1797 O PRO A 114 -13.428 0.474 -11.074 1.00 1.05 O ATOM 1798 CB PRO A 114 -12.554 3.542 -11.516 1.00 1.40 C ATOM 1799 CG PRO A 114 -12.392 4.915 -10.975 1.00 1.38 C ATOM 1800 CD PRO A 114 -11.942 4.748 -9.551 1.00 1.03 C ATOM 0 HA PRO A 114 -14.129 2.693 -10.207 1.00 1.07 H new ATOM 0 HB2 PRO A 114 -11.612 3.154 -11.903 1.00 1.40 H new ATOM 0 HB3 PRO A 114 -13.270 3.520 -12.338 1.00 1.40 H new ATOM 0 HG2 PRO A 114 -11.659 5.478 -11.553 1.00 1.38 H new ATOM 0 HG3 PRO A 114 -13.330 5.468 -11.026 1.00 1.38 H new ATOM 0 HD2 PRO A 114 -10.859 4.835 -9.461 1.00 1.03 H new ATOM 0 HD3 PRO A 114 -12.378 5.508 -8.902 1.00 1.03 H new ATOM 1808 N ARG A 115 -11.468 0.834 -10.026 1.00 0.72 N ATOM 1809 CA ARG A 115 -11.038 -0.545 -10.198 1.00 0.74 C ATOM 1810 C ARG A 115 -10.795 -1.220 -8.857 1.00 0.69 C ATOM 1811 O ARG A 115 -10.378 -2.378 -8.808 1.00 0.86 O ATOM 1812 CB ARG A 115 -9.778 -0.617 -11.063 1.00 0.96 C ATOM 1813 CG ARG A 115 -9.999 -0.143 -12.490 1.00 1.39 C ATOM 1814 CD ARG A 115 -11.096 -0.939 -13.179 1.00 1.63 C ATOM 1815 NE ARG A 115 -11.309 -0.489 -14.553 1.00 1.81 N ATOM 1816 CZ ARG A 115 -12.172 -1.048 -15.402 1.00 2.32 C ATOM 1817 NH1 ARG A 115 -12.937 -2.058 -15.014 1.00 2.92 N ATOM 1818 NH2 ARG A 115 -12.277 -0.581 -16.639 1.00 2.62 N ATOM 0 H ARG A 115 -10.806 1.431 -9.530 1.00 0.72 H new ATOM 0 HA ARG A 115 -11.841 -1.079 -10.706 1.00 0.74 H new ATOM 0 HB2 ARG A 115 -8.996 -0.012 -10.604 1.00 0.96 H new ATOM 0 HB3 ARG A 115 -9.417 -1.645 -11.081 1.00 0.96 H new ATOM 0 HG2 ARG A 115 -10.263 0.914 -12.486 1.00 1.39 H new ATOM 0 HG3 ARG A 115 -9.071 -0.238 -13.054 1.00 1.39 H new ATOM 0 HD2 ARG A 115 -10.833 -1.997 -13.179 1.00 1.63 H new ATOM 0 HD3 ARG A 115 -12.024 -0.842 -12.616 1.00 1.63 H new ATOM 0 HE ARG A 115 -10.761 0.305 -14.884 1.00 1.81 H new ATOM 0 HH11 ARG A 115 -12.868 -2.413 -14.060 1.00 2.92 H new ATOM 0 HH12 ARG A 115 -13.595 -2.480 -15.669 1.00 2.92 H new ATOM 0 HH21 ARG A 115 -11.698 0.204 -16.939 1.00 2.62 H new ATOM 0 HH22 ARG A 115 -12.936 -1.007 -17.291 1.00 2.62 H new ATOM 1832 N THR A 116 -11.058 -0.502 -7.772 1.00 0.61 N ATOM 1833 CA THR A 116 -10.943 -1.080 -6.454 1.00 0.75 C ATOM 1834 C THR A 116 -12.201 -1.870 -6.130 1.00 0.85 C ATOM 1835 O THR A 116 -13.207 -1.352 -5.639 1.00 1.23 O ATOM 1836 CB THR A 116 -10.671 -0.031 -5.383 1.00 0.93 C ATOM 1837 OG1 THR A 116 -11.695 0.965 -5.370 1.00 0.93 O ATOM 1838 CG2 THR A 116 -9.318 0.627 -5.602 1.00 1.13 C ATOM 0 H THR A 116 -11.350 0.475 -7.786 1.00 0.61 H new ATOM 0 HA THR A 116 -10.084 -1.751 -6.458 1.00 0.75 H new ATOM 0 HB THR A 116 -10.665 -0.539 -4.419 1.00 0.93 H new ATOM 0 HG1 THR A 116 -12.572 0.534 -5.442 1.00 0.93 H new ATOM 0 HG21 THR A 116 -9.146 1.372 -4.825 1.00 1.13 H new ATOM 0 HG22 THR A 116 -8.534 -0.129 -5.559 1.00 1.13 H new ATOM 0 HG23 THR A 116 -9.302 1.111 -6.579 1.00 1.13 H new ATOM 1846 N HIS A 117 -12.093 -3.138 -6.417 1.00 0.70 N ATOM 1847 CA HIS A 117 -13.206 -4.053 -6.541 1.00 0.77 C ATOM 1848 C HIS A 117 -12.580 -5.235 -7.236 1.00 0.68 C ATOM 1849 O HIS A 117 -11.374 -5.171 -7.522 1.00 0.61 O ATOM 1850 CB HIS A 117 -14.306 -3.418 -7.412 1.00 0.89 C ATOM 1851 CG HIS A 117 -15.680 -3.987 -7.235 1.00 1.23 C ATOM 1852 ND1 HIS A 117 -16.400 -4.539 -8.270 1.00 1.92 N ATOM 1853 CD2 HIS A 117 -16.495 -4.025 -6.153 1.00 2.10 C ATOM 1854 CE1 HIS A 117 -17.596 -4.889 -7.837 1.00 2.75 C ATOM 1855 NE2 HIS A 117 -17.681 -4.589 -6.555 1.00 2.85 N ATOM 0 H HIS A 117 -11.191 -3.586 -6.579 1.00 0.70 H new ATOM 0 HA HIS A 117 -13.679 -4.315 -5.595 1.00 0.77 H new ATOM 0 HB2 HIS A 117 -14.344 -2.350 -7.197 1.00 0.89 H new ATOM 0 HB3 HIS A 117 -14.021 -3.522 -8.459 1.00 0.89 H new ATOM 0 HD2 HIS A 117 -16.256 -3.676 -5.159 1.00 2.10 H new ATOM 0 HE1 HIS A 117 -18.374 -5.344 -8.432 1.00 2.75 H new ATOM 0 HE2 HIS A 117 -18.494 -4.750 -5.960 1.00 2.85 H new ATOM 1864 N TYR A 118 -13.287 -6.297 -7.559 1.00 0.73 N ATOM 1865 CA TYR A 118 -12.596 -7.261 -8.369 1.00 0.69 C ATOM 1866 C TYR A 118 -12.751 -6.791 -9.803 1.00 0.68 C ATOM 1867 O TYR A 118 -13.602 -7.250 -10.568 1.00 0.77 O ATOM 1868 CB TYR A 118 -13.186 -8.661 -8.177 1.00 0.78 C ATOM 1869 CG TYR A 118 -12.341 -9.779 -8.748 1.00 1.42 C ATOM 1870 CD1 TYR A 118 -12.433 -10.121 -10.090 1.00 1.90 C ATOM 1871 CD2 TYR A 118 -11.446 -10.483 -7.952 1.00 2.33 C ATOM 1872 CE1 TYR A 118 -11.659 -11.133 -10.624 1.00 2.72 C ATOM 1873 CE2 TYR A 118 -10.667 -11.494 -8.477 1.00 3.13 C ATOM 1874 CZ TYR A 118 -10.799 -11.850 -9.781 1.00 3.19 C ATOM 1875 OH TYR A 118 -9.998 -12.821 -10.345 1.00 4.11 O ATOM 0 H TYR A 118 -14.252 -6.502 -7.300 1.00 0.73 H new ATOM 0 HA TYR A 118 -11.545 -7.333 -8.091 1.00 0.69 H new ATOM 0 HB2 TYR A 118 -13.330 -8.838 -7.111 1.00 0.78 H new ATOM 0 HB3 TYR A 118 -14.172 -8.693 -8.641 1.00 0.78 H new ATOM 0 HD1 TYR A 118 -13.122 -9.587 -10.728 1.00 1.90 H new ATOM 0 HD2 TYR A 118 -11.358 -10.235 -6.905 1.00 2.33 H new ATOM 0 HE1 TYR A 118 -11.716 -11.368 -11.676 1.00 2.72 H new ATOM 0 HE2 TYR A 118 -9.951 -12.003 -7.849 1.00 3.13 H new ATOM 0 HH TYR A 118 -9.451 -13.239 -9.648 1.00 4.11 H new ATOM 1885 N GLY A 119 -11.893 -5.827 -10.108 1.00 0.62 N ATOM 1886 CA GLY A 119 -11.677 -5.329 -11.435 1.00 0.65 C ATOM 1887 C GLY A 119 -10.310 -5.721 -11.909 1.00 0.65 C ATOM 1888 O GLY A 119 -10.085 -6.054 -13.074 1.00 0.73 O ATOM 0 H GLY A 119 -11.316 -5.363 -9.407 1.00 0.62 H new ATOM 0 HA2 GLY A 119 -12.434 -5.727 -12.110 1.00 0.65 H new ATOM 0 HA3 GLY A 119 -11.779 -4.244 -11.447 1.00 0.65 H new ATOM 1892 N GLN A 120 -9.393 -5.655 -10.955 1.00 0.60 N ATOM 1893 CA GLN A 120 -7.977 -5.816 -11.209 1.00 0.64 C ATOM 1894 C GLN A 120 -7.347 -6.712 -10.147 1.00 0.62 C ATOM 1895 O GLN A 120 -7.813 -6.757 -9.012 1.00 0.56 O ATOM 1896 CB GLN A 120 -7.303 -4.434 -11.232 1.00 0.67 C ATOM 1897 CG GLN A 120 -7.302 -3.795 -12.609 1.00 1.05 C ATOM 1898 CD GLN A 120 -6.496 -2.513 -12.662 1.00 1.50 C ATOM 1899 OE1 GLN A 120 -5.526 -2.341 -11.921 1.00 2.19 O ATOM 1900 NE2 GLN A 120 -6.876 -1.613 -13.553 1.00 2.13 N ATOM 0 H GLN A 120 -9.618 -5.486 -9.974 1.00 0.60 H new ATOM 0 HA GLN A 120 -7.833 -6.294 -12.178 1.00 0.64 H new ATOM 0 HB2 GLN A 120 -7.816 -3.774 -10.532 1.00 0.67 H new ATOM 0 HB3 GLN A 120 -6.275 -4.532 -10.883 1.00 0.67 H new ATOM 0 HG2 GLN A 120 -6.898 -4.503 -13.333 1.00 1.05 H new ATOM 0 HG3 GLN A 120 -8.329 -3.585 -12.908 1.00 1.05 H new ATOM 0 HE21 GLN A 120 -7.685 -1.794 -14.148 1.00 2.13 H new ATOM 0 HE22 GLN A 120 -6.360 -0.738 -13.646 1.00 2.13 H new ATOM 1909 N LYS A 121 -6.294 -7.435 -10.519 1.00 0.75 N ATOM 1910 CA LYS A 121 -5.612 -8.327 -9.584 1.00 0.78 C ATOM 1911 C LYS A 121 -4.557 -7.563 -8.815 1.00 0.70 C ATOM 1912 O LYS A 121 -3.816 -8.127 -8.016 1.00 0.75 O ATOM 1913 CB LYS A 121 -4.972 -9.521 -10.309 1.00 1.06 C ATOM 1914 CG LYS A 121 -5.934 -10.263 -11.228 1.00 1.43 C ATOM 1915 CD LYS A 121 -7.220 -10.657 -10.511 1.00 1.94 C ATOM 1916 CE LYS A 121 -6.991 -11.733 -9.460 1.00 2.28 C ATOM 1917 NZ LYS A 121 -6.535 -13.011 -10.063 1.00 2.85 N ATOM 0 H LYS A 121 -5.895 -7.421 -11.458 1.00 0.75 H new ATOM 0 HA LYS A 121 -6.357 -8.716 -8.890 1.00 0.78 H new ATOM 0 HB2 LYS A 121 -4.123 -9.167 -10.894 1.00 1.06 H new ATOM 0 HB3 LYS A 121 -4.580 -10.218 -9.568 1.00 1.06 H new ATOM 0 HG2 LYS A 121 -6.175 -9.634 -12.085 1.00 1.43 H new ATOM 0 HG3 LYS A 121 -5.447 -11.157 -11.616 1.00 1.43 H new ATOM 0 HD2 LYS A 121 -7.653 -9.776 -10.037 1.00 1.94 H new ATOM 0 HD3 LYS A 121 -7.945 -11.015 -11.242 1.00 1.94 H new ATOM 0 HE2 LYS A 121 -6.249 -11.386 -8.741 1.00 2.28 H new ATOM 0 HE3 LYS A 121 -7.915 -11.902 -8.907 1.00 2.28 H new ATOM 0 HZ1 LYS A 121 -6.618 -13.775 -9.362 1.00 2.85 H new ATOM 0 HZ2 LYS A 121 -7.125 -13.235 -10.890 1.00 2.85 H new ATOM 0 HZ3 LYS A 121 -5.543 -12.920 -10.360 1.00 2.85 H new ATOM 1931 N ALA A 122 -4.510 -6.266 -9.059 1.00 0.67 N ATOM 1932 CA ALA A 122 -3.633 -5.384 -8.319 1.00 0.72 C ATOM 1933 C ALA A 122 -4.287 -4.994 -7.002 1.00 0.54 C ATOM 1934 O ALA A 122 -3.726 -4.248 -6.203 1.00 0.59 O ATOM 1935 CB ALA A 122 -3.297 -4.165 -9.150 1.00 0.92 C ATOM 0 H ALA A 122 -5.074 -5.800 -9.770 1.00 0.67 H new ATOM 0 HA ALA A 122 -2.701 -5.903 -8.096 1.00 0.72 H new ATOM 0 HB1 ALA A 122 -2.637 -3.509 -8.583 1.00 0.92 H new ATOM 0 HB2 ALA A 122 -2.798 -4.477 -10.068 1.00 0.92 H new ATOM 0 HB3 ALA A 122 -4.214 -3.630 -9.399 1.00 0.92 H new ATOM 1941 N ILE A 123 -5.491 -5.510 -6.788 1.00 0.44 N ATOM 1942 CA ILE A 123 -6.153 -5.382 -5.504 1.00 0.44 C ATOM 1943 C ILE A 123 -5.631 -6.489 -4.586 1.00 0.40 C ATOM 1944 O ILE A 123 -6.014 -6.605 -3.422 1.00 0.49 O ATOM 1945 CB ILE A 123 -7.692 -5.494 -5.653 1.00 0.54 C ATOM 1946 CG1 ILE A 123 -8.188 -4.669 -6.848 1.00 0.83 C ATOM 1947 CG2 ILE A 123 -8.397 -5.039 -4.380 1.00 0.83 C ATOM 1948 CD1 ILE A 123 -7.940 -3.181 -6.725 1.00 1.37 C ATOM 0 H ILE A 123 -6.026 -6.021 -7.490 1.00 0.44 H new ATOM 0 HA ILE A 123 -5.937 -4.401 -5.081 1.00 0.44 H new ATOM 0 HB ILE A 123 -7.931 -6.543 -5.829 1.00 0.54 H new ATOM 0 HG12 ILE A 123 -7.701 -5.033 -7.753 1.00 0.83 H new ATOM 0 HG13 ILE A 123 -9.258 -4.838 -6.972 1.00 0.83 H new ATOM 0 HG21 ILE A 123 -9.476 -5.127 -4.510 1.00 0.83 H new ATOM 0 HG22 ILE A 123 -8.080 -5.664 -3.545 1.00 0.83 H new ATOM 0 HG23 ILE A 123 -8.140 -4.000 -4.173 1.00 0.83 H new ATOM 0 HD11 ILE A 123 -8.321 -2.674 -7.612 1.00 1.37 H new ATOM 0 HD12 ILE A 123 -8.450 -2.799 -5.841 1.00 1.37 H new ATOM 0 HD13 ILE A 123 -6.870 -2.997 -6.634 1.00 1.37 H new ATOM 1960 N LEU A 124 -4.732 -7.298 -5.138 1.00 0.38 N ATOM 1961 CA LEU A 124 -4.035 -8.320 -4.375 1.00 0.43 C ATOM 1962 C LEU A 124 -2.567 -7.932 -4.228 1.00 0.37 C ATOM 1963 O LEU A 124 -1.827 -7.828 -5.223 1.00 0.46 O ATOM 1964 CB LEU A 124 -4.156 -9.698 -5.051 1.00 0.63 C ATOM 1965 CG LEU A 124 -5.558 -10.330 -5.048 1.00 1.21 C ATOM 1966 CD1 LEU A 124 -6.490 -9.625 -6.024 1.00 1.77 C ATOM 1967 CD2 LEU A 124 -5.471 -11.812 -5.382 1.00 1.83 C ATOM 0 H LEU A 124 -4.469 -7.262 -6.123 1.00 0.38 H new ATOM 0 HA LEU A 124 -4.494 -8.391 -3.389 1.00 0.43 H new ATOM 0 HB2 LEU A 124 -3.824 -9.604 -6.085 1.00 0.63 H new ATOM 0 HB3 LEU A 124 -3.469 -10.385 -4.557 1.00 0.63 H new ATOM 0 HG LEU A 124 -5.972 -10.214 -4.046 1.00 1.21 H new ATOM 0 HD11 LEU A 124 -7.472 -10.098 -5.996 1.00 1.77 H new ATOM 0 HD12 LEU A 124 -6.584 -8.576 -5.744 1.00 1.77 H new ATOM 0 HD13 LEU A 124 -6.082 -9.696 -7.032 1.00 1.77 H new ATOM 0 HD21 LEU A 124 -6.471 -12.246 -5.376 1.00 1.83 H new ATOM 0 HD22 LEU A 124 -5.027 -11.937 -6.370 1.00 1.83 H new ATOM 0 HD23 LEU A 124 -4.852 -12.317 -4.640 1.00 1.83 H new ATOM 1979 N PHE A 125 -2.153 -7.681 -2.992 1.00 0.37 N ATOM 1980 CA PHE A 125 -0.779 -7.275 -2.724 1.00 0.45 C ATOM 1981 C PHE A 125 -0.126 -8.171 -1.681 1.00 0.36 C ATOM 1982 O PHE A 125 -0.800 -8.919 -0.974 1.00 0.51 O ATOM 1983 CB PHE A 125 -0.688 -5.809 -2.279 1.00 0.81 C ATOM 1984 CG PHE A 125 -2.013 -5.141 -2.056 1.00 0.60 C ATOM 1985 CD1 PHE A 125 -2.678 -4.533 -3.104 1.00 1.00 C ATOM 1986 CD2 PHE A 125 -2.591 -5.128 -0.799 1.00 1.05 C ATOM 1987 CE1 PHE A 125 -3.895 -3.920 -2.900 1.00 1.05 C ATOM 1988 CE2 PHE A 125 -3.809 -4.516 -0.591 1.00 1.18 C ATOM 1989 CZ PHE A 125 -4.458 -3.905 -1.647 1.00 0.85 C ATOM 0 H PHE A 125 -2.745 -7.751 -2.164 1.00 0.37 H new ATOM 0 HA PHE A 125 -0.239 -7.380 -3.665 1.00 0.45 H new ATOM 0 HB2 PHE A 125 -0.110 -5.758 -1.356 1.00 0.81 H new ATOM 0 HB3 PHE A 125 -0.135 -5.248 -3.032 1.00 0.81 H new ATOM 0 HD1 PHE A 125 -2.240 -4.538 -4.091 1.00 1.00 H new ATOM 0 HD2 PHE A 125 -2.083 -5.602 0.028 1.00 1.05 H new ATOM 0 HE1 PHE A 125 -4.407 -3.450 -3.727 1.00 1.05 H new ATOM 0 HE2 PHE A 125 -4.254 -4.514 0.393 1.00 1.18 H new ATOM 0 HZ PHE A 125 -5.408 -3.416 -1.487 1.00 0.85 H new ATOM 1999 N LEU A 126 1.195 -8.110 -1.643 1.00 0.36 N ATOM 2000 CA LEU A 126 2.006 -8.832 -0.679 1.00 0.49 C ATOM 2001 C LEU A 126 3.052 -7.883 -0.111 1.00 0.48 C ATOM 2002 O LEU A 126 3.679 -7.126 -0.854 1.00 0.49 O ATOM 2003 CB LEU A 126 2.699 -10.033 -1.331 1.00 0.68 C ATOM 2004 CG LEU A 126 1.776 -11.172 -1.763 1.00 1.22 C ATOM 2005 CD1 LEU A 126 2.570 -12.257 -2.475 1.00 1.98 C ATOM 2006 CD2 LEU A 126 1.046 -11.749 -0.558 1.00 1.96 C ATOM 0 H LEU A 126 1.743 -7.547 -2.294 1.00 0.36 H new ATOM 0 HA LEU A 126 1.361 -9.206 0.116 1.00 0.49 H new ATOM 0 HB2 LEU A 126 3.248 -9.683 -2.205 1.00 0.68 H new ATOM 0 HB3 LEU A 126 3.434 -10.430 -0.631 1.00 0.68 H new ATOM 0 HG LEU A 126 1.036 -10.775 -2.457 1.00 1.22 H new ATOM 0 HD11 LEU A 126 1.898 -13.061 -2.776 1.00 1.98 H new ATOM 0 HD12 LEU A 126 3.051 -11.836 -3.358 1.00 1.98 H new ATOM 0 HD13 LEU A 126 3.330 -12.653 -1.802 1.00 1.98 H new ATOM 0 HD21 LEU A 126 0.393 -12.559 -0.882 1.00 1.96 H new ATOM 0 HD22 LEU A 126 1.773 -12.133 0.158 1.00 1.96 H new ATOM 0 HD23 LEU A 126 0.449 -10.968 -0.086 1.00 1.96 H new ATOM 2018 N PRO A 127 3.250 -7.895 1.206 1.00 0.54 N ATOM 2019 CA PRO A 127 4.198 -7.029 1.868 1.00 0.55 C ATOM 2020 C PRO A 127 5.457 -7.775 2.309 1.00 0.53 C ATOM 2021 O PRO A 127 5.438 -8.565 3.258 1.00 0.66 O ATOM 2022 CB PRO A 127 3.385 -6.582 3.086 1.00 0.72 C ATOM 2023 CG PRO A 127 2.390 -7.691 3.339 1.00 0.81 C ATOM 2024 CD PRO A 127 2.505 -8.670 2.190 1.00 0.68 C ATOM 0 HA PRO A 127 4.566 -6.223 1.234 1.00 0.55 H new ATOM 0 HB2 PRO A 127 4.029 -6.428 3.952 1.00 0.72 H new ATOM 0 HB3 PRO A 127 2.878 -5.637 2.893 1.00 0.72 H new ATOM 0 HG2 PRO A 127 2.599 -8.186 4.288 1.00 0.81 H new ATOM 0 HG3 PRO A 127 1.378 -7.292 3.404 1.00 0.81 H new ATOM 0 HD2 PRO A 127 3.034 -9.578 2.479 1.00 0.68 H new ATOM 0 HD3 PRO A 127 1.528 -8.975 1.815 1.00 0.68 H new ATOM 2032 N LEU A 128 6.552 -7.527 1.609 1.00 0.44 N ATOM 2033 CA LEU A 128 7.818 -8.164 1.937 1.00 0.46 C ATOM 2034 C LEU A 128 8.805 -7.119 2.439 1.00 0.39 C ATOM 2035 O LEU A 128 9.037 -6.112 1.784 1.00 0.39 O ATOM 2036 CB LEU A 128 8.373 -8.942 0.728 1.00 0.56 C ATOM 2037 CG LEU A 128 8.554 -8.146 -0.572 1.00 0.98 C ATOM 2038 CD1 LEU A 128 9.978 -7.620 -0.696 1.00 1.34 C ATOM 2039 CD2 LEU A 128 8.197 -9.006 -1.775 1.00 1.47 C ATOM 0 H LEU A 128 6.591 -6.891 0.812 1.00 0.44 H new ATOM 0 HA LEU A 128 7.656 -8.890 2.734 1.00 0.46 H new ATOM 0 HB2 LEU A 128 9.338 -9.364 1.007 1.00 0.56 H new ATOM 0 HB3 LEU A 128 7.706 -9.780 0.525 1.00 0.56 H new ATOM 0 HG LEU A 128 7.879 -7.290 -0.543 1.00 0.98 H new ATOM 0 HD11 LEU A 128 10.079 -7.060 -1.626 1.00 1.34 H new ATOM 0 HD12 LEU A 128 10.199 -6.966 0.148 1.00 1.34 H new ATOM 0 HD13 LEU A 128 10.676 -8.457 -0.699 1.00 1.34 H new ATOM 0 HD21 LEU A 128 8.331 -8.427 -2.689 1.00 1.47 H new ATOM 0 HD22 LEU A 128 8.846 -9.881 -1.802 1.00 1.47 H new ATOM 0 HD23 LEU A 128 7.158 -9.327 -1.697 1.00 1.47 H new ATOM 2051 N PRO A 129 9.378 -7.332 3.626 1.00 0.41 N ATOM 2052 CA PRO A 129 10.248 -6.350 4.266 1.00 0.40 C ATOM 2053 C PRO A 129 11.700 -6.451 3.794 1.00 0.48 C ATOM 2054 O PRO A 129 12.119 -7.478 3.253 1.00 0.55 O ATOM 2055 CB PRO A 129 10.114 -6.720 5.738 1.00 0.48 C ATOM 2056 CG PRO A 129 9.892 -8.197 5.747 1.00 0.68 C ATOM 2057 CD PRO A 129 9.220 -8.548 4.445 1.00 0.53 C ATOM 0 HA PRO A 129 9.970 -5.321 4.036 1.00 0.40 H new ATOM 0 HB2 PRO A 129 11.012 -6.452 6.295 1.00 0.48 H new ATOM 0 HB3 PRO A 129 9.281 -6.193 6.203 1.00 0.48 H new ATOM 0 HG2 PRO A 129 10.838 -8.729 5.849 1.00 0.68 H new ATOM 0 HG3 PRO A 129 9.270 -8.489 6.593 1.00 0.68 H new ATOM 0 HD2 PRO A 129 9.689 -9.411 3.973 1.00 0.53 H new ATOM 0 HD3 PRO A 129 8.169 -8.797 4.592 1.00 0.53 H new ATOM 2065 N VAL A 130 12.461 -5.377 4.010 1.00 0.56 N ATOM 2066 CA VAL A 130 13.817 -5.271 3.473 1.00 0.76 C ATOM 2067 C VAL A 130 14.762 -6.316 4.059 1.00 0.97 C ATOM 2068 O VAL A 130 14.775 -6.588 5.261 1.00 1.03 O ATOM 2069 CB VAL A 130 14.389 -3.846 3.657 1.00 0.93 C ATOM 2070 CG1 VAL A 130 14.025 -3.280 5.019 1.00 1.43 C ATOM 2071 CG2 VAL A 130 15.900 -3.813 3.456 1.00 1.36 C ATOM 0 H VAL A 130 12.160 -4.568 4.554 1.00 0.56 H new ATOM 0 HA VAL A 130 13.741 -5.473 2.404 1.00 0.76 H new ATOM 0 HB VAL A 130 13.935 -3.219 2.889 1.00 0.93 H new ATOM 0 HG11 VAL A 130 14.441 -2.277 5.119 1.00 1.43 H new ATOM 0 HG12 VAL A 130 12.940 -3.234 5.116 1.00 1.43 H new ATOM 0 HG13 VAL A 130 14.432 -3.922 5.800 1.00 1.43 H new ATOM 0 HG21 VAL A 130 16.263 -2.795 3.594 1.00 1.36 H new ATOM 0 HG22 VAL A 130 16.378 -4.470 4.182 1.00 1.36 H new ATOM 0 HG23 VAL A 130 16.140 -4.151 2.448 1.00 1.36 H new ATOM 2081 N SER A 131 15.563 -6.876 3.173 1.00 1.27 N ATOM 2082 CA SER A 131 16.433 -7.999 3.490 1.00 1.65 C ATOM 2083 C SER A 131 17.700 -7.546 4.216 1.00 1.86 C ATOM 2084 O SER A 131 18.067 -6.372 4.170 1.00 1.88 O ATOM 2085 CB SER A 131 16.813 -8.708 2.189 1.00 2.07 C ATOM 2086 OG SER A 131 15.673 -8.904 1.366 1.00 2.32 O ATOM 0 H SER A 131 15.631 -6.564 2.204 1.00 1.27 H new ATOM 0 HA SER A 131 15.896 -8.676 4.155 1.00 1.65 H new ATOM 0 HB2 SER A 131 17.556 -8.118 1.653 1.00 2.07 H new ATOM 0 HB3 SER A 131 17.272 -9.670 2.416 1.00 2.07 H new ATOM 0 HG SER A 131 15.940 -9.357 0.539 1.00 2.32 H new ATOM 2092 N SER A 132 18.356 -8.481 4.894 1.00 2.21 N ATOM 2093 CA SER A 132 19.652 -8.232 5.499 1.00 2.54 C ATOM 2094 C SER A 132 20.748 -8.556 4.493 1.00 3.02 C ATOM 2095 O SER A 132 21.326 -9.644 4.504 1.00 3.59 O ATOM 2096 CB SER A 132 19.833 -9.109 6.743 1.00 2.98 C ATOM 2097 OG SER A 132 18.716 -9.015 7.613 1.00 2.97 O ATOM 0 H SER A 132 18.004 -9.427 5.037 1.00 2.21 H new ATOM 0 HA SER A 132 19.712 -7.183 5.790 1.00 2.54 H new ATOM 0 HB2 SER A 132 19.973 -10.147 6.440 1.00 2.98 H new ATOM 0 HB3 SER A 132 20.736 -8.807 7.274 1.00 2.98 H new ATOM 0 HG SER A 132 18.862 -9.587 8.395 1.00 2.97 H new ATOM 2103 N ASP A 133 21.002 -7.599 3.616 1.00 3.06 N ATOM 2104 CA ASP A 133 22.010 -7.739 2.578 1.00 3.74 C ATOM 2105 C ASP A 133 23.289 -7.043 3.011 1.00 3.96 C ATOM 2106 O ASP A 133 23.272 -5.802 3.140 1.00 4.33 O ATOM 2107 CB ASP A 133 21.493 -7.144 1.265 1.00 3.99 C ATOM 2108 CG ASP A 133 22.518 -7.189 0.149 1.00 4.66 C ATOM 2109 OD1 ASP A 133 22.735 -8.279 -0.419 1.00 5.12 O ATOM 2110 OD2 ASP A 133 23.133 -6.143 -0.147 1.00 5.00 O ATOM 2111 OXT ASP A 133 24.300 -7.735 3.249 1.00 4.10 O ATOM 0 H ASP A 133 20.515 -6.703 3.604 1.00 3.06 H new ATOM 0 HA ASP A 133 22.222 -8.796 2.419 1.00 3.74 H new ATOM 0 HB2 ASP A 133 20.601 -7.687 0.953 1.00 3.99 H new ATOM 0 HB3 ASP A 133 21.194 -6.110 1.434 1.00 3.99 H new TER 2116 ASP A 133