USER MOD reduce.3.24.130724 H: found=0, std=0, add=1010, rem=0, adj=37 USER MOD reduce.3.24.130724 removed 1007 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 28 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 96 GLN : amide:sc= 0 X(o=0,f=-0.3) USER MOD Set 2.1: A 80 THR OG1 : rot -43:sc= 0.985 USER MOD Set 2.2: A 83 SER OG : rot 7:sc= 1.74 USER MOD Set 3.1: A 41 ASN : amide:sc= 0 K(o=-1.6,f=-2.3) USER MOD Set 3.2: A 122 GLN : amide:sc= -1.65 X(o=-1.6,f=-2.1!) USER MOD Set 4.1: A 21 ASN : amide:sc= 1.15 K(o=3.4,f=-5.8!) USER MOD Set 4.2: A 23 THR OG1 : rot 13:sc= 0.994 USER MOD Set 4.3: A 24 THR OG1 : rot -110:sc= 1.26 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 MET CE :methyl -160:sc= -0.167 (180deg=-0.711) USER MOD Single : A 5 MET CE :methyl -133:sc= -3.86 (180deg=-6.92!) USER MOD Single : A 7 MET CE :methyl -139:sc= -2.57 (180deg=-4.73!) USER MOD Single : A 10 TYR OH : rot 172:sc= 0.264 USER MOD Single : A 15 SER OG : rot 150:sc= -0.0217 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ -141:sc= 1.01 (180deg=0.149) USER MOD Single : A 22 ASN : amide:sc= 0.943 K(o=0.94,f=-0.025) USER MOD Single : A 25 ASN :FLIP amide:sc= 0 F(o=-0.86,f=0) USER MOD Single : A 29 SER OG : rot 102:sc= 0.575 USER MOD Single : A 44 TYR OH : rot 21:sc= 0.742 USER MOD Single : A 45 THR OG1 : rot 45:sc= 0.25 USER MOD Single : A 48 GLN :FLIP amide:sc= -1.74! C(o=-2.3!,f=-1.7!) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 51 GLN : amide:sc= -0.109 K(o=-0.11,f=-1.2!) USER MOD Single : A 52 SER OG : rot -170:sc= 0.00207 USER MOD Single : A 57 TYR OH : rot -23:sc= -0.222! USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 SER OG : rot -98:sc= 1.25 USER MOD Single : A 68 SER OG : rot 103:sc= -1.27 USER MOD Single : A 69 SER OG : rot 180:sc=-0.00625 USER MOD Single : A 71 THR OG1 : rot 180:sc=-0.00907 USER MOD Single : A 74 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ 153:sc= 1.19 (180deg=-0.0263) USER MOD Single : A 84 TYR OH : rot 165:sc= 0.245 USER MOD Single : A 86 HIS :FLIP no HD1:sc= 0 F(o=-0.6,f=0) USER MOD Single : A 87 SER OG : rot -79:sc= 1.08 USER MOD Single : A 89 ASN :FLIP amide:sc= -0.0195 F(o=-1.5!,f=-0.02) USER MOD Single : A 90 TYR OH : rot -123:sc= 1.02 USER MOD Single : A 93 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.073) USER MOD Single : A 98 HIS : no HD1:sc=-0.00469 X(o=-0.0047,f=-0.45) USER MOD Single : A 99 CYS SG : rot -85:sc= -5.16! USER MOD Single : A 101 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 104 SER OG : rot -2:sc= 0.305 USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 SER OG : rot 180:sc= 0.0139 USER MOD Single : A 116 CYS SG : rot 56:sc= -4.78! USER MOD Single : A 117 SER OG : rot 177:sc= -0.313 USER MOD Single : B 205 DC O3' : rot 96:sc= -0.015 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 9.716 -20.725 8.416 1.00 4.24 N ATOM 2 CA GLY A 1 9.430 -19.381 8.966 1.00 3.44 C ATOM 3 C GLY A 1 9.354 -18.338 7.874 1.00 2.58 C ATOM 4 O GLY A 1 10.341 -17.655 7.599 1.00 2.83 O ATOM 0 H1 GLY A 1 9.761 -21.415 9.192 1.00 4.24 H new ATOM 0 H2 GLY A 1 8.961 -20.997 7.754 1.00 4.24 H new ATOM 0 H3 GLY A 1 10.627 -20.708 7.914 1.00 4.24 H new ATOM 0 HA2 GLY A 1 8.488 -19.404 9.514 1.00 3.44 H new ATOM 0 HA3 GLY A 1 10.207 -19.106 9.679 1.00 3.44 H new ATOM 10 N ALA A 2 8.181 -18.218 7.255 1.00 2.09 N ATOM 11 CA ALA A 2 7.974 -17.289 6.149 1.00 1.55 C ATOM 12 C ALA A 2 8.134 -15.849 6.613 1.00 1.26 C ATOM 13 O ALA A 2 7.271 -15.309 7.308 1.00 1.45 O ATOM 14 CB ALA A 2 6.596 -17.499 5.540 1.00 2.08 C ATOM 0 H ALA A 2 7.353 -18.759 7.505 1.00 2.09 H new ATOM 0 HA ALA A 2 8.730 -17.486 5.389 1.00 1.55 H new ATOM 0 HB1 ALA A 2 6.452 -16.801 4.716 1.00 2.08 H new ATOM 0 HB2 ALA A 2 6.514 -18.520 5.169 1.00 2.08 H new ATOM 0 HB3 ALA A 2 5.833 -17.327 6.299 1.00 2.08 H new ATOM 20 N MET A 3 9.240 -15.237 6.236 1.00 1.02 N ATOM 21 CA MET A 3 9.543 -13.880 6.658 1.00 0.92 C ATOM 22 C MET A 3 8.886 -12.856 5.746 1.00 0.65 C ATOM 23 O MET A 3 9.299 -12.667 4.602 1.00 0.82 O ATOM 24 CB MET A 3 11.057 -13.651 6.690 1.00 1.21 C ATOM 25 CG MET A 3 11.448 -12.235 7.096 1.00 1.47 C ATOM 26 SD MET A 3 13.234 -11.984 7.153 1.00 1.88 S ATOM 27 CE MET A 3 13.699 -13.154 8.425 1.00 2.83 C ATOM 0 H MET A 3 9.948 -15.659 5.635 1.00 1.02 H new ATOM 0 HA MET A 3 9.141 -13.752 7.663 1.00 0.92 H new ATOM 0 HB2 MET A 3 11.509 -14.358 7.386 1.00 1.21 H new ATOM 0 HB3 MET A 3 11.470 -13.865 5.704 1.00 1.21 H new ATOM 0 HG2 MET A 3 11.010 -11.527 6.392 1.00 1.47 H new ATOM 0 HG3 MET A 3 11.024 -12.014 8.076 1.00 1.47 H new ATOM 0 HE1 MET A 3 14.676 -12.885 8.827 1.00 2.83 H new ATOM 0 HE2 MET A 3 12.959 -13.135 9.225 1.00 2.83 H new ATOM 0 HE3 MET A 3 13.746 -14.156 7.998 1.00 2.83 H new ATOM 37 N ALA A 4 7.845 -12.222 6.251 1.00 0.46 N ATOM 38 CA ALA A 4 7.254 -11.078 5.583 1.00 0.37 C ATOM 39 C ALA A 4 7.882 -9.804 6.133 1.00 0.34 C ATOM 40 O ALA A 4 7.741 -9.492 7.318 1.00 0.43 O ATOM 41 CB ALA A 4 5.744 -11.068 5.770 1.00 0.57 C ATOM 0 H ALA A 4 7.389 -12.481 7.126 1.00 0.46 H new ATOM 0 HA ALA A 4 7.450 -11.140 4.512 1.00 0.37 H new ATOM 0 HB1 ALA A 4 5.320 -10.202 5.261 1.00 0.57 H new ATOM 0 HB2 ALA A 4 5.319 -11.980 5.350 1.00 0.57 H new ATOM 0 HB3 ALA A 4 5.509 -11.015 6.833 1.00 0.57 H new ATOM 47 N MET A 5 8.597 -9.091 5.284 1.00 0.30 N ATOM 48 CA MET A 5 9.346 -7.919 5.709 1.00 0.33 C ATOM 49 C MET A 5 8.583 -6.637 5.410 1.00 0.34 C ATOM 50 O MET A 5 8.356 -6.312 4.249 1.00 0.34 O ATOM 51 CB MET A 5 10.695 -7.870 5.001 1.00 0.35 C ATOM 52 CG MET A 5 11.587 -6.757 5.509 1.00 0.63 C ATOM 53 SD MET A 5 13.181 -6.702 4.680 1.00 1.25 S ATOM 54 CE MET A 5 13.935 -5.352 5.574 1.00 0.90 C ATOM 0 H MET A 5 8.676 -9.303 4.289 1.00 0.30 H new ATOM 0 HA MET A 5 9.495 -7.997 6.786 1.00 0.33 H new ATOM 0 HB2 MET A 5 11.204 -8.825 5.133 1.00 0.35 H new ATOM 0 HB3 MET A 5 10.534 -7.740 3.931 1.00 0.35 H new ATOM 0 HG2 MET A 5 11.080 -5.802 5.373 1.00 0.63 H new ATOM 0 HG3 MET A 5 11.745 -6.885 6.580 1.00 0.63 H new ATOM 0 HE1 MET A 5 14.391 -4.658 4.868 1.00 0.90 H new ATOM 0 HE2 MET A 5 13.174 -4.831 6.155 1.00 0.90 H new ATOM 0 HE3 MET A 5 14.700 -5.742 6.245 1.00 0.90 H new ATOM 64 N PRO A 6 8.199 -5.883 6.457 1.00 0.41 N ATOM 65 CA PRO A 6 7.477 -4.613 6.304 1.00 0.46 C ATOM 66 C PRO A 6 8.105 -3.729 5.232 1.00 0.39 C ATOM 67 O PRO A 6 9.304 -3.457 5.262 1.00 0.38 O ATOM 68 CB PRO A 6 7.617 -3.968 7.681 1.00 0.58 C ATOM 69 CG PRO A 6 7.720 -5.118 8.622 1.00 0.61 C ATOM 70 CD PRO A 6 8.450 -6.205 7.877 1.00 0.49 C ATOM 0 HA PRO A 6 6.443 -4.756 5.989 1.00 0.46 H new ATOM 0 HB2 PRO A 6 8.500 -3.332 7.733 1.00 0.58 H new ATOM 0 HB3 PRO A 6 6.757 -3.340 7.914 1.00 0.58 H new ATOM 0 HG2 PRO A 6 8.260 -4.835 9.525 1.00 0.61 H new ATOM 0 HG3 PRO A 6 6.732 -5.456 8.934 1.00 0.61 H new ATOM 0 HD2 PRO A 6 9.516 -6.202 8.106 1.00 0.49 H new ATOM 0 HD3 PRO A 6 8.071 -7.193 8.137 1.00 0.49 H new ATOM 78 N MET A 7 7.281 -3.291 4.288 1.00 0.37 N ATOM 79 CA MET A 7 7.752 -2.572 3.108 1.00 0.32 C ATOM 80 C MET A 7 8.420 -1.255 3.481 1.00 0.29 C ATOM 81 O MET A 7 9.365 -0.825 2.825 1.00 0.28 O ATOM 82 CB MET A 7 6.583 -2.309 2.163 1.00 0.40 C ATOM 83 CG MET A 7 6.844 -2.755 0.740 1.00 0.37 C ATOM 84 SD MET A 7 8.172 -1.821 -0.048 1.00 1.39 S ATOM 85 CE MET A 7 8.223 -2.598 -1.658 1.00 0.77 C ATOM 0 H MET A 7 6.270 -3.423 4.317 1.00 0.37 H new ATOM 0 HA MET A 7 8.496 -3.195 2.611 1.00 0.32 H new ATOM 0 HB2 MET A 7 5.699 -2.823 2.540 1.00 0.40 H new ATOM 0 HB3 MET A 7 6.357 -1.243 2.165 1.00 0.40 H new ATOM 0 HG2 MET A 7 7.099 -3.815 0.736 1.00 0.37 H new ATOM 0 HG3 MET A 7 5.931 -2.645 0.155 1.00 0.37 H new ATOM 0 HE1 MET A 7 9.260 -2.729 -1.966 1.00 0.77 H new ATOM 0 HE2 MET A 7 7.734 -3.571 -1.608 1.00 0.77 H new ATOM 0 HE3 MET A 7 7.706 -1.969 -2.382 1.00 0.77 H new ATOM 95 N ILE A 8 7.927 -0.616 4.530 1.00 0.30 N ATOM 96 CA ILE A 8 8.502 0.638 4.996 1.00 0.27 C ATOM 97 C ILE A 8 9.865 0.384 5.645 1.00 0.30 C ATOM 98 O ILE A 8 10.782 1.193 5.526 1.00 0.34 O ATOM 99 CB ILE A 8 7.543 1.357 5.974 1.00 0.29 C ATOM 100 CG1 ILE A 8 6.219 1.680 5.273 1.00 0.29 C ATOM 101 CG2 ILE A 8 8.159 2.627 6.527 1.00 0.38 C ATOM 102 CD1 ILE A 8 6.370 2.599 4.073 1.00 0.36 C ATOM 0 H ILE A 8 7.130 -0.944 5.076 1.00 0.30 H new ATOM 0 HA ILE A 8 8.647 1.294 4.138 1.00 0.27 H new ATOM 0 HB ILE A 8 7.356 0.683 6.810 1.00 0.29 H new ATOM 0 HG12 ILE A 8 5.753 0.749 4.950 1.00 0.29 H new ATOM 0 HG13 ILE A 8 5.542 2.143 5.991 1.00 0.29 H new ATOM 0 HG21 ILE A 8 7.456 3.105 7.210 1.00 0.38 H new ATOM 0 HG22 ILE A 8 9.077 2.383 7.062 1.00 0.38 H new ATOM 0 HG23 ILE A 8 8.387 3.308 5.707 1.00 0.38 H new ATOM 0 HD11 ILE A 8 5.391 2.782 3.629 1.00 0.36 H new ATOM 0 HD12 ILE A 8 6.806 3.545 4.392 1.00 0.36 H new ATOM 0 HD13 ILE A 8 7.021 2.130 3.335 1.00 0.36 H new ATOM 114 N GLU A 9 10.002 -0.771 6.286 1.00 0.32 N ATOM 115 CA GLU A 9 11.273 -1.175 6.882 1.00 0.39 C ATOM 116 C GLU A 9 12.264 -1.564 5.784 1.00 0.34 C ATOM 117 O GLU A 9 13.446 -1.221 5.839 1.00 0.37 O ATOM 118 CB GLU A 9 11.048 -2.347 7.841 1.00 0.53 C ATOM 119 CG GLU A 9 12.314 -2.859 8.509 1.00 0.66 C ATOM 120 CD GLU A 9 12.946 -1.846 9.437 1.00 0.87 C ATOM 121 OE1 GLU A 9 12.440 -1.660 10.559 1.00 1.20 O ATOM 122 OE2 GLU A 9 13.942 -1.209 9.038 1.00 1.67 O ATOM 0 H GLU A 9 9.248 -1.447 6.407 1.00 0.32 H new ATOM 0 HA GLU A 9 11.688 -0.339 7.444 1.00 0.39 H new ATOM 0 HB2 GLU A 9 10.342 -2.040 8.613 1.00 0.53 H new ATOM 0 HB3 GLU A 9 10.583 -3.166 7.292 1.00 0.53 H new ATOM 0 HG2 GLU A 9 12.081 -3.763 9.072 1.00 0.66 H new ATOM 0 HG3 GLU A 9 13.035 -3.139 7.741 1.00 0.66 H new ATOM 129 N TYR A 10 11.761 -2.282 4.780 1.00 0.33 N ATOM 130 CA TYR A 10 12.551 -2.628 3.603 1.00 0.33 C ATOM 131 C TYR A 10 13.033 -1.353 2.923 1.00 0.33 C ATOM 132 O TYR A 10 14.166 -1.270 2.438 1.00 0.40 O ATOM 133 CB TYR A 10 11.714 -3.456 2.625 1.00 0.37 C ATOM 134 CG TYR A 10 12.513 -4.009 1.467 1.00 0.45 C ATOM 135 CD1 TYR A 10 13.165 -5.230 1.574 1.00 0.56 C ATOM 136 CD2 TYR A 10 12.618 -3.315 0.268 1.00 0.50 C ATOM 137 CE1 TYR A 10 13.901 -5.742 0.525 1.00 0.67 C ATOM 138 CE2 TYR A 10 13.353 -3.820 -0.786 1.00 0.60 C ATOM 139 CZ TYR A 10 13.992 -5.035 -0.652 1.00 0.68 C ATOM 140 OH TYR A 10 14.726 -5.543 -1.697 1.00 0.80 O ATOM 0 H TYR A 10 10.805 -2.636 4.761 1.00 0.33 H new ATOM 0 HA TYR A 10 13.411 -3.222 3.913 1.00 0.33 H new ATOM 0 HB2 TYR A 10 11.251 -4.282 3.164 1.00 0.37 H new ATOM 0 HB3 TYR A 10 10.906 -2.837 2.236 1.00 0.37 H new ATOM 0 HD1 TYR A 10 13.095 -5.789 2.495 1.00 0.56 H new ATOM 0 HD2 TYR A 10 12.116 -2.365 0.159 1.00 0.50 H new ATOM 0 HE1 TYR A 10 14.403 -6.693 0.627 1.00 0.67 H new ATOM 0 HE2 TYR A 10 13.427 -3.267 -1.710 1.00 0.60 H new ATOM 0 HH TYR A 10 14.585 -4.991 -2.494 1.00 0.80 H new ATOM 150 N LEU A 11 12.150 -0.363 2.910 1.00 0.33 N ATOM 151 CA LEU A 11 12.440 0.939 2.338 1.00 0.40 C ATOM 152 C LEU A 11 13.639 1.575 3.034 1.00 0.41 C ATOM 153 O LEU A 11 14.576 2.037 2.382 1.00 0.51 O ATOM 154 CB LEU A 11 11.211 1.835 2.478 1.00 0.47 C ATOM 155 CG LEU A 11 11.157 3.032 1.533 1.00 0.82 C ATOM 156 CD1 LEU A 11 11.079 2.566 0.087 1.00 1.30 C ATOM 157 CD2 LEU A 11 9.967 3.907 1.874 1.00 1.45 C ATOM 0 H LEU A 11 11.210 -0.444 3.298 1.00 0.33 H new ATOM 0 HA LEU A 11 12.685 0.820 1.283 1.00 0.40 H new ATOM 0 HB2 LEU A 11 10.320 1.227 2.317 1.00 0.47 H new ATOM 0 HB3 LEU A 11 11.166 2.202 3.503 1.00 0.47 H new ATOM 0 HG LEU A 11 12.069 3.617 1.654 1.00 0.82 H new ATOM 0 HD11 LEU A 11 11.041 3.433 -0.573 1.00 1.30 H new ATOM 0 HD12 LEU A 11 11.958 1.967 -0.150 1.00 1.30 H new ATOM 0 HD13 LEU A 11 10.181 1.964 -0.053 1.00 1.30 H new ATOM 0 HD21 LEU A 11 9.936 4.759 1.195 1.00 1.45 H new ATOM 0 HD22 LEU A 11 9.049 3.328 1.773 1.00 1.45 H new ATOM 0 HD23 LEU A 11 10.060 4.264 2.900 1.00 1.45 H new ATOM 169 N GLU A 12 13.611 1.567 4.358 1.00 0.39 N ATOM 170 CA GLU A 12 14.681 2.147 5.155 1.00 0.50 C ATOM 171 C GLU A 12 15.989 1.384 4.965 1.00 0.53 C ATOM 172 O GLU A 12 17.030 1.973 4.676 1.00 0.61 O ATOM 173 CB GLU A 12 14.300 2.138 6.636 1.00 0.59 C ATOM 174 CG GLU A 12 12.989 2.840 6.935 1.00 0.65 C ATOM 175 CD GLU A 12 12.758 3.039 8.416 1.00 0.74 C ATOM 176 OE1 GLU A 12 13.236 4.047 8.978 1.00 1.41 O ATOM 177 OE2 GLU A 12 12.079 2.192 9.025 1.00 0.90 O ATOM 0 H GLU A 12 12.853 1.162 4.907 1.00 0.39 H new ATOM 0 HA GLU A 12 14.826 3.174 4.819 1.00 0.50 H new ATOM 0 HB2 GLU A 12 14.235 1.105 6.979 1.00 0.59 H new ATOM 0 HB3 GLU A 12 15.095 2.614 7.209 1.00 0.59 H new ATOM 0 HG2 GLU A 12 12.979 3.809 6.436 1.00 0.65 H new ATOM 0 HG3 GLU A 12 12.167 2.258 6.518 1.00 0.65 H new ATOM 184 N ARG A 13 15.919 0.069 5.111 1.00 0.50 N ATOM 185 CA ARG A 13 17.113 -0.771 5.137 1.00 0.57 C ATOM 186 C ARG A 13 17.761 -0.934 3.763 1.00 0.60 C ATOM 187 O ARG A 13 18.969 -0.772 3.626 1.00 0.69 O ATOM 188 CB ARG A 13 16.777 -2.143 5.728 1.00 0.58 C ATOM 189 CG ARG A 13 16.444 -2.092 7.209 1.00 0.61 C ATOM 190 CD ARG A 13 15.857 -3.403 7.708 1.00 0.65 C ATOM 191 NE ARG A 13 16.789 -4.524 7.607 1.00 1.36 N ATOM 192 CZ ARG A 13 16.535 -5.750 8.076 1.00 1.54 C ATOM 193 NH1 ARG A 13 15.375 -6.027 8.667 1.00 1.16 N ATOM 194 NH2 ARG A 13 17.445 -6.702 7.959 1.00 2.57 N ATOM 0 H ARG A 13 15.044 -0.444 5.214 1.00 0.50 H new ATOM 0 HA ARG A 13 17.842 -0.263 5.768 1.00 0.57 H new ATOM 0 HB2 ARG A 13 15.931 -2.567 5.187 1.00 0.58 H new ATOM 0 HB3 ARG A 13 17.622 -2.814 5.575 1.00 0.58 H new ATOM 0 HG2 ARG A 13 17.346 -1.860 7.775 1.00 0.61 H new ATOM 0 HG3 ARG A 13 15.736 -1.284 7.393 1.00 0.61 H new ATOM 0 HD2 ARG A 13 15.551 -3.285 8.748 1.00 0.65 H new ATOM 0 HD3 ARG A 13 14.958 -3.633 7.136 1.00 0.65 H new ATOM 0 HE ARG A 13 17.687 -4.361 7.151 1.00 1.36 H new ATOM 0 HH11 ARG A 13 14.667 -5.300 8.767 1.00 1.16 H new ATOM 0 HH12 ARG A 13 15.194 -6.967 9.020 1.00 1.16 H new ATOM 0 HH21 ARG A 13 18.339 -6.501 7.512 1.00 2.57 H new ATOM 0 HH22 ARG A 13 17.253 -7.638 8.316 1.00 2.57 H new ATOM 208 N PHE A 14 16.974 -1.250 2.743 1.00 0.58 N ATOM 209 CA PHE A 14 17.557 -1.624 1.457 1.00 0.68 C ATOM 210 C PHE A 14 17.247 -0.629 0.345 1.00 0.75 C ATOM 211 O PHE A 14 18.105 -0.342 -0.489 1.00 0.96 O ATOM 212 CB PHE A 14 17.078 -3.019 1.051 1.00 0.68 C ATOM 213 CG PHE A 14 17.426 -4.080 2.055 1.00 0.72 C ATOM 214 CD1 PHE A 14 18.721 -4.561 2.153 1.00 0.88 C ATOM 215 CD2 PHE A 14 16.455 -4.608 2.891 1.00 0.69 C ATOM 216 CE1 PHE A 14 19.040 -5.547 3.064 1.00 0.98 C ATOM 217 CE2 PHE A 14 16.770 -5.593 3.807 1.00 0.79 C ATOM 218 CZ PHE A 14 18.071 -6.022 3.933 1.00 0.93 C ATOM 0 H PHE A 14 15.955 -1.256 2.775 1.00 0.58 H new ATOM 0 HA PHE A 14 18.639 -1.621 1.592 1.00 0.68 H new ATOM 0 HB2 PHE A 14 15.997 -2.999 0.913 1.00 0.68 H new ATOM 0 HB3 PHE A 14 17.517 -3.281 0.088 1.00 0.68 H new ATOM 0 HD1 PHE A 14 19.490 -4.160 1.509 1.00 0.88 H new ATOM 0 HD2 PHE A 14 15.440 -4.245 2.826 1.00 0.69 H new ATOM 0 HE1 PHE A 14 20.042 -5.947 3.100 1.00 0.98 H new ATOM 0 HE2 PHE A 14 15.996 -6.026 4.423 1.00 0.79 H new ATOM 0 HZ PHE A 14 18.336 -6.727 4.707 1.00 0.93 H new ATOM 228 N SER A 15 16.032 -0.104 0.327 1.00 0.69 N ATOM 229 CA SER A 15 15.579 0.696 -0.804 1.00 0.83 C ATOM 230 C SER A 15 16.223 2.084 -0.824 1.00 0.91 C ATOM 231 O SER A 15 16.783 2.494 -1.841 1.00 1.07 O ATOM 232 CB SER A 15 14.056 0.820 -0.783 1.00 0.81 C ATOM 233 OG SER A 15 13.567 1.439 -1.959 1.00 1.37 O ATOM 0 H SER A 15 15.346 -0.215 1.074 1.00 0.69 H new ATOM 0 HA SER A 15 15.889 0.182 -1.713 1.00 0.83 H new ATOM 0 HB2 SER A 15 13.611 -0.170 -0.680 1.00 0.81 H new ATOM 0 HB3 SER A 15 13.750 1.399 0.088 1.00 0.81 H new ATOM 0 HG SER A 15 12.670 1.099 -2.159 1.00 1.37 H new ATOM 239 N LEU A 16 16.150 2.800 0.289 1.00 0.84 N ATOM 240 CA LEU A 16 16.638 4.175 0.334 1.00 0.95 C ATOM 241 C LEU A 16 17.905 4.309 1.164 1.00 0.98 C ATOM 242 O LEU A 16 18.684 5.246 0.970 1.00 1.12 O ATOM 243 CB LEU A 16 15.566 5.099 0.905 1.00 0.94 C ATOM 244 CG LEU A 16 14.260 5.145 0.116 1.00 0.99 C ATOM 245 CD1 LEU A 16 13.239 5.993 0.850 1.00 0.95 C ATOM 246 CD2 LEU A 16 14.497 5.692 -1.285 1.00 1.22 C ATOM 0 H LEU A 16 15.761 2.457 1.167 1.00 0.84 H new ATOM 0 HA LEU A 16 16.873 4.461 -0.691 1.00 0.95 H new ATOM 0 HB2 LEU A 16 15.345 4.785 1.925 1.00 0.94 H new ATOM 0 HB3 LEU A 16 15.973 6.109 0.963 1.00 0.94 H new ATOM 0 HG LEU A 16 13.874 4.130 0.024 1.00 0.99 H new ATOM 0 HD11 LEU A 16 12.311 6.020 0.279 1.00 0.95 H new ATOM 0 HD12 LEU A 16 13.048 5.563 1.833 1.00 0.95 H new ATOM 0 HD13 LEU A 16 13.623 7.006 0.966 1.00 0.95 H new ATOM 0 HD21 LEU A 16 13.554 5.716 -1.830 1.00 1.22 H new ATOM 0 HD22 LEU A 16 14.903 6.701 -1.218 1.00 1.22 H new ATOM 0 HD23 LEU A 16 15.204 5.051 -1.811 1.00 1.22 H new ATOM 258 N LYS A 17 18.087 3.382 2.109 1.00 0.88 N ATOM 259 CA LYS A 17 19.251 3.382 3.002 1.00 0.96 C ATOM 260 C LYS A 17 19.174 4.540 3.994 1.00 1.01 C ATOM 261 O LYS A 17 20.137 4.838 4.703 1.00 1.13 O ATOM 262 CB LYS A 17 20.556 3.444 2.199 1.00 1.12 C ATOM 263 CG LYS A 17 20.860 2.163 1.441 1.00 1.09 C ATOM 264 CD LYS A 17 21.259 1.048 2.391 1.00 1.00 C ATOM 265 CE LYS A 17 21.495 -0.260 1.658 1.00 1.08 C ATOM 266 NZ LYS A 17 22.083 -1.288 2.553 1.00 1.20 N ATOM 0 H LYS A 17 17.436 2.615 2.277 1.00 0.88 H new ATOM 0 HA LYS A 17 19.243 2.449 3.566 1.00 0.96 H new ATOM 0 HB2 LYS A 17 20.499 4.271 1.491 1.00 1.12 H new ATOM 0 HB3 LYS A 17 21.381 3.661 2.877 1.00 1.12 H new ATOM 0 HG2 LYS A 17 19.984 1.860 0.867 1.00 1.09 H new ATOM 0 HG3 LYS A 17 21.664 2.341 0.727 1.00 1.09 H new ATOM 0 HD2 LYS A 17 22.165 1.333 2.926 1.00 1.00 H new ATOM 0 HD3 LYS A 17 20.477 0.910 3.138 1.00 1.00 H new ATOM 0 HE2 LYS A 17 20.552 -0.626 1.252 1.00 1.08 H new ATOM 0 HE3 LYS A 17 22.161 -0.089 0.812 1.00 1.08 H new ATOM 0 HZ1 LYS A 17 22.231 -2.169 2.020 1.00 1.20 H new ATOM 0 HZ2 LYS A 17 22.995 -0.948 2.920 1.00 1.20 H new ATOM 0 HZ3 LYS A 17 21.436 -1.468 3.347 1.00 1.20 H new ATOM 280 N ALA A 18 18.011 5.170 4.048 1.00 0.97 N ATOM 281 CA ALA A 18 17.779 6.297 4.937 1.00 1.05 C ATOM 282 C ALA A 18 16.763 5.916 6.003 1.00 0.85 C ATOM 283 O ALA A 18 16.292 4.779 6.035 1.00 0.93 O ATOM 284 CB ALA A 18 17.291 7.498 4.139 1.00 1.21 C ATOM 0 H ALA A 18 17.204 4.915 3.479 1.00 0.97 H new ATOM 0 HA ALA A 18 18.715 6.564 5.428 1.00 1.05 H new ATOM 0 HB1 ALA A 18 17.120 8.337 4.813 1.00 1.21 H new ATOM 0 HB2 ALA A 18 18.043 7.774 3.400 1.00 1.21 H new ATOM 0 HB3 ALA A 18 16.360 7.244 3.632 1.00 1.21 H new ATOM 290 N LYS A 19 16.428 6.857 6.871 1.00 0.94 N ATOM 291 CA LYS A 19 15.459 6.599 7.924 1.00 0.87 C ATOM 292 C LYS A 19 14.102 7.161 7.524 1.00 0.66 C ATOM 293 O LYS A 19 13.988 8.336 7.179 1.00 0.72 O ATOM 294 CB LYS A 19 15.931 7.204 9.250 1.00 1.18 C ATOM 295 CG LYS A 19 15.402 6.465 10.469 1.00 1.36 C ATOM 296 CD LYS A 19 13.938 6.766 10.747 1.00 1.62 C ATOM 297 CE LYS A 19 13.387 5.871 11.846 1.00 1.96 C ATOM 298 NZ LYS A 19 13.505 4.430 11.499 1.00 2.32 N ATOM 0 H LYS A 19 16.811 7.802 6.868 1.00 0.94 H new ATOM 0 HA LYS A 19 15.364 5.522 8.063 1.00 0.87 H new ATOM 0 HB2 LYS A 19 17.021 7.200 9.276 1.00 1.18 H new ATOM 0 HB3 LYS A 19 15.614 8.246 9.299 1.00 1.18 H new ATOM 0 HG2 LYS A 19 15.527 5.392 10.321 1.00 1.36 H new ATOM 0 HG3 LYS A 19 15.997 6.738 11.341 1.00 1.36 H new ATOM 0 HD2 LYS A 19 13.829 7.811 11.037 1.00 1.62 H new ATOM 0 HD3 LYS A 19 13.357 6.626 9.836 1.00 1.62 H new ATOM 0 HE2 LYS A 19 13.922 6.066 12.775 1.00 1.96 H new ATOM 0 HE3 LYS A 19 12.340 6.117 12.024 1.00 1.96 H new ATOM 0 HZ1 LYS A 19 12.654 3.925 11.818 1.00 2.32 H new ATOM 0 HZ2 LYS A 19 13.602 4.328 10.469 1.00 2.32 H new ATOM 0 HZ3 LYS A 19 14.342 4.028 11.967 1.00 2.32 H new ATOM 312 N ILE A 20 13.082 6.320 7.584 1.00 0.55 N ATOM 313 CA ILE A 20 11.752 6.684 7.126 1.00 0.46 C ATOM 314 C ILE A 20 10.850 7.129 8.271 1.00 0.53 C ATOM 315 O ILE A 20 10.702 6.445 9.285 1.00 0.66 O ATOM 316 CB ILE A 20 11.088 5.519 6.356 1.00 0.51 C ATOM 317 CG1 ILE A 20 11.638 5.453 4.926 1.00 0.43 C ATOM 318 CG2 ILE A 20 9.569 5.666 6.337 1.00 0.70 C ATOM 319 CD1 ILE A 20 10.956 6.406 3.978 1.00 0.77 C ATOM 0 H ILE A 20 13.152 5.370 7.950 1.00 0.55 H new ATOM 0 HA ILE A 20 11.878 7.530 6.450 1.00 0.46 H new ATOM 0 HB ILE A 20 11.327 4.589 6.871 1.00 0.51 H new ATOM 0 HG12 ILE A 20 12.706 5.672 4.945 1.00 0.43 H new ATOM 0 HG13 ILE A 20 11.528 4.436 4.549 1.00 0.43 H new ATOM 0 HG21 ILE A 20 9.130 4.833 5.789 1.00 0.70 H new ATOM 0 HG22 ILE A 20 9.191 5.667 7.359 1.00 0.70 H new ATOM 0 HG23 ILE A 20 9.300 6.603 5.849 1.00 0.70 H new ATOM 0 HD11 ILE A 20 11.394 6.307 2.985 1.00 0.77 H new ATOM 0 HD12 ILE A 20 9.892 6.173 3.930 1.00 0.77 H new ATOM 0 HD13 ILE A 20 11.088 7.428 4.332 1.00 0.77 H new ATOM 331 N ASN A 21 10.281 8.304 8.085 1.00 0.51 N ATOM 332 CA ASN A 21 9.255 8.841 8.951 1.00 0.59 C ATOM 333 C ASN A 21 8.406 9.811 8.133 1.00 0.67 C ATOM 334 O ASN A 21 8.495 9.803 6.906 1.00 0.69 O ATOM 335 CB ASN A 21 9.869 9.521 10.185 1.00 0.63 C ATOM 336 CG ASN A 21 10.884 10.601 9.856 1.00 1.26 C ATOM 337 OD1 ASN A 21 10.763 11.325 8.866 1.00 2.19 O ATOM 338 ND2 ASN A 21 11.901 10.711 10.693 1.00 1.85 N ATOM 0 H ASN A 21 10.525 8.923 7.312 1.00 0.51 H new ATOM 0 HA ASN A 21 8.625 8.036 9.329 1.00 0.59 H new ATOM 0 HB2 ASN A 21 9.069 9.959 10.781 1.00 0.63 H new ATOM 0 HB3 ASN A 21 10.349 8.763 10.804 1.00 0.63 H new ATOM 0 HD21 ASN A 21 12.622 11.414 10.530 1.00 1.85 H new ATOM 0 HD22 ASN A 21 11.965 10.092 11.502 1.00 1.85 H new ATOM 345 N ASN A 22 7.607 10.644 8.782 1.00 0.78 N ATOM 346 CA ASN A 22 6.707 11.547 8.060 1.00 0.97 C ATOM 347 C ASN A 22 7.481 12.570 7.224 1.00 0.99 C ATOM 348 O ASN A 22 6.991 13.045 6.199 1.00 1.18 O ATOM 349 CB ASN A 22 5.765 12.261 9.041 1.00 1.13 C ATOM 350 CG ASN A 22 4.820 13.236 8.355 1.00 1.38 C ATOM 351 OD1 ASN A 22 5.114 14.425 8.233 1.00 1.80 O ATOM 352 ND2 ASN A 22 3.685 12.737 7.893 1.00 2.01 N ATOM 0 H ASN A 22 7.559 10.718 9.798 1.00 0.78 H new ATOM 0 HA ASN A 22 6.114 10.942 7.374 1.00 0.97 H new ATOM 0 HB2 ASN A 22 5.180 11.517 9.582 1.00 1.13 H new ATOM 0 HB3 ASN A 22 6.359 12.798 9.780 1.00 1.13 H new ATOM 0 HD21 ASN A 22 3.018 13.344 7.416 1.00 2.01 H new ATOM 0 HD22 ASN A 22 3.477 11.746 8.014 1.00 2.01 H new ATOM 359 N THR A 23 8.702 12.884 7.637 1.00 0.90 N ATOM 360 CA THR A 23 9.484 13.914 6.968 1.00 1.04 C ATOM 361 C THR A 23 10.500 13.337 5.980 1.00 0.91 C ATOM 362 O THR A 23 11.262 14.085 5.364 1.00 0.91 O ATOM 363 CB THR A 23 10.209 14.816 7.984 1.00 1.27 C ATOM 364 OG1 THR A 23 10.843 14.021 8.998 1.00 1.39 O ATOM 365 CG2 THR A 23 9.234 15.791 8.630 1.00 1.78 C ATOM 0 H THR A 23 9.170 12.442 8.428 1.00 0.90 H new ATOM 0 HA THR A 23 8.769 14.511 6.402 1.00 1.04 H new ATOM 0 HB THR A 23 10.970 15.383 7.449 1.00 1.27 H new ATOM 0 HG1 THR A 23 10.856 13.082 8.717 1.00 1.39 H new ATOM 0 HG21 THR A 23 9.767 16.419 9.344 1.00 1.78 H new ATOM 0 HG22 THR A 23 8.784 16.418 7.861 1.00 1.78 H new ATOM 0 HG23 THR A 23 8.453 15.235 9.148 1.00 1.78 H new ATOM 373 N THR A 24 10.516 12.018 5.825 1.00 0.92 N ATOM 374 CA THR A 24 11.383 11.392 4.835 1.00 0.90 C ATOM 375 C THR A 24 10.738 11.505 3.462 1.00 0.80 C ATOM 376 O THR A 24 9.647 10.990 3.238 1.00 1.03 O ATOM 377 CB THR A 24 11.638 9.918 5.174 1.00 1.18 C ATOM 378 OG1 THR A 24 11.904 9.796 6.573 1.00 1.68 O ATOM 379 CG2 THR A 24 12.831 9.376 4.402 1.00 1.42 C ATOM 0 H THR A 24 9.945 11.368 6.366 1.00 0.92 H new ATOM 0 HA THR A 24 12.344 11.907 4.838 1.00 0.90 H new ATOM 0 HB THR A 24 10.752 9.346 4.898 1.00 1.18 H new ATOM 0 HG1 THR A 24 12.848 9.570 6.708 1.00 1.68 H new ATOM 0 HG21 THR A 24 12.988 8.329 4.663 1.00 1.42 H new ATOM 0 HG22 THR A 24 12.640 9.459 3.332 1.00 1.42 H new ATOM 0 HG23 THR A 24 13.721 9.951 4.657 1.00 1.42 H new ATOM 387 N ASN A 25 11.424 12.173 2.549 1.00 0.71 N ATOM 388 CA ASN A 25 10.867 12.492 1.231 1.00 0.76 C ATOM 389 C ASN A 25 10.951 11.310 0.274 1.00 0.77 C ATOM 390 O ASN A 25 11.570 11.392 -0.788 1.00 0.87 O ATOM 391 CB ASN A 25 11.576 13.708 0.622 1.00 0.90 C ATOM 392 CG ASN A 25 10.983 15.030 1.075 1.00 1.23 C ATOM 393 OD1 ASN A 25 10.380 15.042 2.252 1.00 1.82 O flip ATOM 394 ND2 ASN A 25 11.056 16.033 0.361 1.00 1.98 N flip ATOM 0 H ASN A 25 12.376 12.510 2.692 1.00 0.71 H new ATOM 0 HA ASN A 25 9.813 12.728 1.379 1.00 0.76 H new ATOM 0 HB2 ASN A 25 12.632 13.679 0.892 1.00 0.90 H new ATOM 0 HB3 ASN A 25 11.523 13.646 -0.465 1.00 0.90 H new ATOM 0 HD21 ASN A 25 11.530 15.984 -0.541 1.00 1.98 H new ATOM 0 HD22 ASN A 25 10.643 16.912 0.672 1.00 1.98 H new ATOM 401 N LEU A 26 10.329 10.210 0.649 1.00 0.79 N ATOM 402 CA LEU A 26 10.276 9.044 -0.216 1.00 0.82 C ATOM 403 C LEU A 26 9.034 9.104 -1.094 1.00 0.74 C ATOM 404 O LEU A 26 8.913 8.357 -2.063 1.00 0.74 O ATOM 405 CB LEU A 26 10.333 7.731 0.603 1.00 1.09 C ATOM 406 CG LEU A 26 9.064 7.263 1.353 1.00 1.55 C ATOM 407 CD1 LEU A 26 8.397 8.383 2.137 1.00 2.31 C ATOM 408 CD2 LEU A 26 8.078 6.599 0.406 1.00 2.48 C ATOM 0 H LEU A 26 9.854 10.097 1.544 1.00 0.79 H new ATOM 0 HA LEU A 26 11.153 9.051 -0.863 1.00 0.82 H new ATOM 0 HB2 LEU A 26 10.628 6.931 -0.076 1.00 1.09 H new ATOM 0 HB3 LEU A 26 11.131 7.835 1.338 1.00 1.09 H new ATOM 0 HG LEU A 26 9.392 6.522 2.082 1.00 1.55 H new ATOM 0 HD11 LEU A 26 7.512 7.996 2.643 1.00 2.31 H new ATOM 0 HD12 LEU A 26 9.095 8.775 2.876 1.00 2.31 H new ATOM 0 HD13 LEU A 26 8.105 9.181 1.454 1.00 2.31 H new ATOM 0 HD21 LEU A 26 7.197 6.281 0.963 1.00 2.48 H new ATOM 0 HD22 LEU A 26 7.782 7.308 -0.367 1.00 2.48 H new ATOM 0 HD23 LEU A 26 8.547 5.731 -0.058 1.00 2.48 H new ATOM 420 N ASP A 27 8.124 10.004 -0.739 1.00 0.78 N ATOM 421 CA ASP A 27 6.856 10.161 -1.441 1.00 0.89 C ATOM 422 C ASP A 27 7.106 10.434 -2.912 1.00 0.81 C ATOM 423 O ASP A 27 6.699 9.668 -3.783 1.00 0.99 O ATOM 424 CB ASP A 27 6.059 11.323 -0.835 1.00 1.04 C ATOM 425 CG ASP A 27 6.133 11.352 0.679 1.00 1.41 C ATOM 426 OD1 ASP A 27 7.125 11.872 1.226 1.00 1.43 O ATOM 427 OD2 ASP A 27 5.176 10.860 1.323 1.00 2.18 O ATOM 0 H ASP A 27 8.245 10.646 0.044 1.00 0.78 H new ATOM 0 HA ASP A 27 6.284 9.239 -1.338 1.00 0.89 H new ATOM 0 HB2 ASP A 27 6.438 12.265 -1.232 1.00 1.04 H new ATOM 0 HB3 ASP A 27 5.016 11.244 -1.143 1.00 1.04 H new ATOM 432 N TYR A 28 7.825 11.513 -3.176 1.00 0.70 N ATOM 433 CA TYR A 28 8.143 11.915 -4.538 1.00 0.82 C ATOM 434 C TYR A 28 9.094 10.916 -5.191 1.00 0.69 C ATOM 435 O TYR A 28 9.170 10.824 -6.415 1.00 0.83 O ATOM 436 CB TYR A 28 8.771 13.311 -4.535 1.00 1.02 C ATOM 437 CG TYR A 28 7.920 14.359 -3.852 1.00 1.16 C ATOM 438 CD1 TYR A 28 8.047 14.606 -2.490 1.00 1.24 C ATOM 439 CD2 TYR A 28 6.990 15.104 -4.569 1.00 1.32 C ATOM 440 CE1 TYR A 28 7.272 15.563 -1.864 1.00 1.38 C ATOM 441 CE2 TYR A 28 6.213 16.063 -3.950 1.00 1.48 C ATOM 442 CZ TYR A 28 6.356 16.282 -2.594 1.00 1.47 C ATOM 443 OH TYR A 28 5.580 17.237 -1.978 1.00 1.64 O ATOM 0 H TYR A 28 8.203 12.132 -2.458 1.00 0.70 H new ATOM 0 HA TYR A 28 7.219 11.936 -5.116 1.00 0.82 H new ATOM 0 HB2 TYR A 28 9.740 13.263 -4.039 1.00 1.02 H new ATOM 0 HB3 TYR A 28 8.955 13.619 -5.564 1.00 1.02 H new ATOM 0 HD1 TYR A 28 8.763 14.041 -1.912 1.00 1.24 H new ATOM 0 HD2 TYR A 28 6.873 14.929 -5.628 1.00 1.32 H new ATOM 0 HE1 TYR A 28 7.385 15.745 -0.806 1.00 1.38 H new ATOM 0 HE2 TYR A 28 5.499 16.637 -4.522 1.00 1.48 H new ATOM 0 HH TYR A 28 4.986 17.652 -2.638 1.00 1.64 H new ATOM 453 N SER A 29 9.790 10.146 -4.363 1.00 0.52 N ATOM 454 CA SER A 29 10.786 9.204 -4.849 1.00 0.50 C ATOM 455 C SER A 29 10.130 7.889 -5.234 1.00 0.43 C ATOM 456 O SER A 29 10.705 7.094 -5.972 1.00 0.43 O ATOM 457 CB SER A 29 11.848 8.955 -3.781 1.00 0.53 C ATOM 458 OG SER A 29 12.398 10.182 -3.320 1.00 0.61 O ATOM 0 H SER A 29 9.681 10.157 -3.349 1.00 0.52 H new ATOM 0 HA SER A 29 11.261 9.634 -5.730 1.00 0.50 H new ATOM 0 HB2 SER A 29 11.409 8.411 -2.945 1.00 0.53 H new ATOM 0 HB3 SER A 29 12.640 8.327 -4.189 1.00 0.53 H new ATOM 0 HG SER A 29 12.005 10.411 -2.452 1.00 0.61 H new ATOM 464 N ARG A 30 8.915 7.683 -4.742 1.00 0.42 N ATOM 465 CA ARG A 30 8.191 6.440 -4.968 1.00 0.40 C ATOM 466 C ARG A 30 8.012 6.192 -6.463 1.00 0.38 C ATOM 467 O ARG A 30 8.005 5.050 -6.920 1.00 0.39 O ATOM 468 CB ARG A 30 6.830 6.486 -4.268 1.00 0.43 C ATOM 469 CG ARG A 30 6.383 5.136 -3.742 1.00 0.49 C ATOM 470 CD ARG A 30 7.272 4.673 -2.598 1.00 0.73 C ATOM 471 NE ARG A 30 7.460 3.222 -2.584 1.00 1.07 N ATOM 472 CZ ARG A 30 7.709 2.515 -1.478 1.00 1.18 C ATOM 473 NH1 ARG A 30 7.659 3.101 -0.288 1.00 1.25 N ATOM 474 NH2 ARG A 30 7.979 1.218 -1.560 1.00 1.86 N ATOM 0 H ARG A 30 8.408 8.367 -4.180 1.00 0.42 H new ATOM 0 HA ARG A 30 8.771 5.618 -4.549 1.00 0.40 H new ATOM 0 HB2 ARG A 30 6.878 7.193 -3.440 1.00 0.43 H new ATOM 0 HB3 ARG A 30 6.082 6.863 -4.966 1.00 0.43 H new ATOM 0 HG2 ARG A 30 5.350 5.199 -3.401 1.00 0.49 H new ATOM 0 HG3 ARG A 30 6.409 4.402 -4.547 1.00 0.49 H new ATOM 0 HD2 ARG A 30 8.243 5.161 -2.677 1.00 0.73 H new ATOM 0 HD3 ARG A 30 6.833 4.988 -1.651 1.00 0.73 H new ATOM 0 HE ARG A 30 7.397 2.721 -3.470 1.00 1.07 H new ATOM 0 HH11 ARG A 30 7.430 4.092 -0.217 1.00 1.25 H new ATOM 0 HH12 ARG A 30 7.849 2.560 0.555 1.00 1.25 H new ATOM 0 HH21 ARG A 30 7.997 0.757 -2.470 1.00 1.86 H new ATOM 0 HH22 ARG A 30 8.169 0.682 -0.713 1.00 1.86 H new ATOM 488 N ARG A 31 7.901 7.282 -7.209 1.00 0.39 N ATOM 489 CA ARG A 31 7.744 7.242 -8.658 1.00 0.43 C ATOM 490 C ARG A 31 8.963 6.597 -9.337 1.00 0.42 C ATOM 491 O ARG A 31 8.841 5.969 -10.388 1.00 0.51 O ATOM 492 CB ARG A 31 7.536 8.675 -9.154 1.00 0.55 C ATOM 493 CG ARG A 31 7.258 8.817 -10.640 1.00 1.16 C ATOM 494 CD ARG A 31 6.966 10.269 -10.973 1.00 1.92 C ATOM 495 NE ARG A 31 6.795 10.508 -12.403 1.00 2.67 N ATOM 496 CZ ARG A 31 6.652 11.724 -12.928 1.00 3.57 C ATOM 497 NH1 ARG A 31 6.547 12.785 -12.136 1.00 3.96 N ATOM 498 NH2 ARG A 31 6.574 11.879 -14.242 1.00 4.35 N ATOM 0 H ARG A 31 7.917 8.226 -6.824 1.00 0.39 H new ATOM 0 HA ARG A 31 6.881 6.628 -8.915 1.00 0.43 H new ATOM 0 HB2 ARG A 31 6.705 9.115 -8.603 1.00 0.55 H new ATOM 0 HB3 ARG A 31 8.424 9.258 -8.911 1.00 0.55 H new ATOM 0 HG2 ARG A 31 8.116 8.468 -11.215 1.00 1.16 H new ATOM 0 HG3 ARG A 31 6.410 8.192 -10.922 1.00 1.16 H new ATOM 0 HD2 ARG A 31 6.063 10.581 -10.449 1.00 1.92 H new ATOM 0 HD3 ARG A 31 7.781 10.891 -10.602 1.00 1.92 H new ATOM 0 HE ARG A 31 6.784 9.704 -13.031 1.00 2.67 H new ATOM 0 HH11 ARG A 31 6.576 12.670 -11.123 1.00 3.96 H new ATOM 0 HH12 ARG A 31 6.438 13.715 -12.541 1.00 3.96 H new ATOM 0 HH21 ARG A 31 6.623 11.065 -14.855 1.00 4.35 H new ATOM 0 HH22 ARG A 31 6.465 12.812 -14.640 1.00 4.35 H new ATOM 512 N PHE A 32 10.143 6.745 -8.734 1.00 0.39 N ATOM 513 CA PHE A 32 11.355 6.126 -9.276 1.00 0.42 C ATOM 514 C PHE A 32 11.695 4.880 -8.476 1.00 0.40 C ATOM 515 O PHE A 32 12.685 4.197 -8.746 1.00 0.47 O ATOM 516 CB PHE A 32 12.552 7.089 -9.252 1.00 0.53 C ATOM 517 CG PHE A 32 12.194 8.539 -9.073 1.00 1.08 C ATOM 518 CD1 PHE A 32 11.734 9.280 -10.147 1.00 2.08 C ATOM 519 CD2 PHE A 32 12.311 9.157 -7.838 1.00 1.15 C ATOM 520 CE1 PHE A 32 11.397 10.610 -10.001 1.00 3.15 C ATOM 521 CE2 PHE A 32 11.976 10.491 -7.683 1.00 2.18 C ATOM 522 CZ PHE A 32 11.544 11.218 -8.716 1.00 3.19 C ATOM 0 H PHE A 32 10.286 7.282 -7.879 1.00 0.39 H new ATOM 0 HA PHE A 32 11.155 5.865 -10.315 1.00 0.42 H new ATOM 0 HB2 PHE A 32 13.222 6.793 -8.445 1.00 0.53 H new ATOM 0 HB3 PHE A 32 13.107 6.979 -10.184 1.00 0.53 H new ATOM 0 HD1 PHE A 32 11.637 8.810 -11.115 1.00 2.08 H new ATOM 0 HD2 PHE A 32 12.667 8.593 -6.989 1.00 1.15 H new ATOM 0 HE1 PHE A 32 11.029 11.180 -10.841 1.00 3.15 H new ATOM 0 HE2 PHE A 32 12.066 10.951 -6.710 1.00 2.18 H new ATOM 0 HZ PHE A 32 11.306 12.263 -8.581 1.00 3.19 H new ATOM 532 N LEU A 33 10.871 4.596 -7.484 1.00 0.34 N ATOM 533 CA LEU A 33 10.990 3.368 -6.722 1.00 0.34 C ATOM 534 C LEU A 33 10.136 2.291 -7.386 1.00 0.32 C ATOM 535 O LEU A 33 10.301 1.099 -7.131 1.00 0.37 O ATOM 536 CB LEU A 33 10.569 3.603 -5.267 1.00 0.34 C ATOM 537 CG LEU A 33 11.446 4.589 -4.492 1.00 0.39 C ATOM 538 CD1 LEU A 33 10.940 4.743 -3.067 1.00 0.39 C ATOM 539 CD2 LEU A 33 12.896 4.129 -4.497 1.00 0.47 C ATOM 0 H LEU A 33 10.108 5.204 -7.186 1.00 0.34 H new ATOM 0 HA LEU A 33 12.028 3.034 -6.709 1.00 0.34 H new ATOM 0 HB2 LEU A 33 9.542 3.967 -5.256 1.00 0.34 H new ATOM 0 HB3 LEU A 33 10.574 2.647 -4.744 1.00 0.34 H new ATOM 0 HG LEU A 33 11.392 5.560 -4.984 1.00 0.39 H new ATOM 0 HD11 LEU A 33 11.575 5.448 -2.530 1.00 0.39 H new ATOM 0 HD12 LEU A 33 9.916 5.116 -3.083 1.00 0.39 H new ATOM 0 HD13 LEU A 33 10.966 3.776 -2.565 1.00 0.39 H new ATOM 0 HD21 LEU A 33 13.506 4.842 -3.942 1.00 0.47 H new ATOM 0 HD22 LEU A 33 12.968 3.147 -4.029 1.00 0.47 H new ATOM 0 HD23 LEU A 33 13.255 4.068 -5.524 1.00 0.47 H new ATOM 551 N GLU A 34 9.228 2.742 -8.252 1.00 0.30 N ATOM 552 CA GLU A 34 8.442 1.855 -9.108 1.00 0.29 C ATOM 553 C GLU A 34 9.301 0.832 -9.846 1.00 0.32 C ATOM 554 O GLU A 34 9.004 -0.361 -9.794 1.00 0.32 O ATOM 555 CB GLU A 34 7.647 2.656 -10.133 1.00 0.31 C ATOM 556 CG GLU A 34 6.318 3.133 -9.618 1.00 0.35 C ATOM 557 CD GLU A 34 5.491 3.815 -10.680 1.00 0.52 C ATOM 558 OE1 GLU A 34 4.894 3.113 -11.516 1.00 0.82 O ATOM 559 OE2 GLU A 34 5.436 5.064 -10.683 1.00 0.67 O ATOM 0 H GLU A 34 9.017 3.732 -8.379 1.00 0.30 H new ATOM 0 HA GLU A 34 7.767 1.317 -8.443 1.00 0.29 H new ATOM 0 HB2 GLU A 34 8.237 3.517 -10.447 1.00 0.31 H new ATOM 0 HB3 GLU A 34 7.486 2.041 -11.018 1.00 0.31 H new ATOM 0 HG2 GLU A 34 5.762 2.284 -9.220 1.00 0.35 H new ATOM 0 HG3 GLU A 34 6.481 3.824 -8.791 1.00 0.35 H new ATOM 566 N PRO A 35 10.367 1.266 -10.562 1.00 0.35 N ATOM 567 CA PRO A 35 11.205 0.349 -11.332 1.00 0.37 C ATOM 568 C PRO A 35 11.740 -0.817 -10.499 1.00 0.36 C ATOM 569 O PRO A 35 11.978 -1.905 -11.021 1.00 0.38 O ATOM 570 CB PRO A 35 12.359 1.228 -11.815 1.00 0.45 C ATOM 571 CG PRO A 35 11.787 2.595 -11.868 1.00 0.51 C ATOM 572 CD PRO A 35 10.809 2.666 -10.730 1.00 0.38 C ATOM 0 HA PRO A 35 10.639 -0.120 -12.137 1.00 0.37 H new ATOM 0 HB2 PRO A 35 13.208 1.179 -11.133 1.00 0.45 H new ATOM 0 HB3 PRO A 35 12.718 0.910 -12.794 1.00 0.45 H new ATOM 0 HG2 PRO A 35 12.566 3.350 -11.764 1.00 0.51 H new ATOM 0 HG3 PRO A 35 11.292 2.777 -12.822 1.00 0.51 H new ATOM 0 HD2 PRO A 35 11.276 3.050 -9.823 1.00 0.38 H new ATOM 0 HD3 PRO A 35 9.972 3.325 -10.961 1.00 0.38 H new ATOM 580 N PHE A 36 11.910 -0.590 -9.201 1.00 0.35 N ATOM 581 CA PHE A 36 12.416 -1.620 -8.305 1.00 0.38 C ATOM 582 C PHE A 36 11.278 -2.519 -7.827 1.00 0.34 C ATOM 583 O PHE A 36 11.466 -3.711 -7.583 1.00 0.43 O ATOM 584 CB PHE A 36 13.135 -0.976 -7.112 1.00 0.46 C ATOM 585 CG PHE A 36 13.811 -1.960 -6.199 1.00 0.52 C ATOM 586 CD1 PHE A 36 15.034 -2.515 -6.542 1.00 0.62 C ATOM 587 CD2 PHE A 36 13.223 -2.327 -5.002 1.00 0.64 C ATOM 588 CE1 PHE A 36 15.657 -3.419 -5.703 1.00 0.69 C ATOM 589 CE2 PHE A 36 13.842 -3.230 -4.160 1.00 0.72 C ATOM 590 CZ PHE A 36 15.059 -3.778 -4.511 1.00 0.70 C ATOM 0 H PHE A 36 11.704 0.300 -8.747 1.00 0.35 H new ATOM 0 HA PHE A 36 13.131 -2.237 -8.849 1.00 0.38 H new ATOM 0 HB2 PHE A 36 13.879 -0.273 -7.486 1.00 0.46 H new ATOM 0 HB3 PHE A 36 12.413 -0.398 -6.535 1.00 0.46 H new ATOM 0 HD1 PHE A 36 15.504 -2.238 -7.474 1.00 0.62 H new ATOM 0 HD2 PHE A 36 12.270 -1.903 -4.723 1.00 0.64 H new ATOM 0 HE1 PHE A 36 16.611 -3.844 -5.979 1.00 0.69 H new ATOM 0 HE2 PHE A 36 13.374 -3.507 -3.227 1.00 0.72 H new ATOM 0 HZ PHE A 36 15.543 -4.486 -3.855 1.00 0.70 H new ATOM 600 N LEU A 37 10.091 -1.941 -7.735 1.00 0.27 N ATOM 601 CA LEU A 37 8.914 -2.638 -7.220 1.00 0.26 C ATOM 602 C LEU A 37 8.175 -3.370 -8.337 1.00 0.25 C ATOM 603 O LEU A 37 7.195 -4.073 -8.094 1.00 0.30 O ATOM 604 CB LEU A 37 7.969 -1.626 -6.565 1.00 0.30 C ATOM 605 CG LEU A 37 8.287 -1.225 -5.116 1.00 0.39 C ATOM 606 CD1 LEU A 37 9.785 -1.165 -4.850 1.00 0.68 C ATOM 607 CD2 LEU A 37 7.665 0.125 -4.824 1.00 0.99 C ATOM 0 H LEU A 37 9.912 -0.976 -8.014 1.00 0.27 H new ATOM 0 HA LEU A 37 9.245 -3.373 -6.486 1.00 0.26 H new ATOM 0 HB2 LEU A 37 7.962 -0.722 -7.175 1.00 0.30 H new ATOM 0 HB3 LEU A 37 6.959 -2.036 -6.591 1.00 0.30 H new ATOM 0 HG LEU A 37 7.869 -1.989 -4.460 1.00 0.39 H new ATOM 0 HD11 LEU A 37 9.959 -0.878 -3.813 1.00 0.68 H new ATOM 0 HD12 LEU A 37 10.227 -2.144 -5.034 1.00 0.68 H new ATOM 0 HD13 LEU A 37 10.243 -0.430 -5.512 1.00 0.68 H new ATOM 0 HD21 LEU A 37 7.888 0.414 -3.797 1.00 0.99 H new ATOM 0 HD22 LEU A 37 8.074 0.869 -5.507 1.00 0.99 H new ATOM 0 HD23 LEU A 37 6.585 0.065 -4.958 1.00 0.99 H new ATOM 619 N ARG A 38 8.650 -3.190 -9.558 1.00 0.24 N ATOM 620 CA ARG A 38 8.001 -3.755 -10.733 1.00 0.27 C ATOM 621 C ARG A 38 8.105 -5.280 -10.734 1.00 0.25 C ATOM 622 O ARG A 38 9.131 -5.846 -11.115 1.00 0.36 O ATOM 623 CB ARG A 38 8.637 -3.177 -11.997 1.00 0.33 C ATOM 624 CG ARG A 38 7.729 -3.202 -13.214 1.00 1.01 C ATOM 625 CD ARG A 38 8.398 -2.532 -14.401 1.00 1.12 C ATOM 626 NE ARG A 38 7.458 -2.241 -15.482 1.00 1.86 N ATOM 627 CZ ARG A 38 7.806 -1.661 -16.629 1.00 2.37 C ATOM 628 NH1 ARG A 38 9.072 -1.330 -16.847 1.00 2.26 N ATOM 629 NH2 ARG A 38 6.889 -1.407 -17.555 1.00 3.39 N ATOM 0 H ARG A 38 9.491 -2.652 -9.764 1.00 0.24 H new ATOM 0 HA ARG A 38 6.944 -3.492 -10.709 1.00 0.27 H new ATOM 0 HB2 ARG A 38 8.937 -2.147 -11.802 1.00 0.33 H new ATOM 0 HB3 ARG A 38 9.545 -3.736 -12.223 1.00 0.33 H new ATOM 0 HG2 ARG A 38 7.479 -4.233 -13.466 1.00 1.01 H new ATOM 0 HG3 ARG A 38 6.792 -2.694 -12.985 1.00 1.01 H new ATOM 0 HD2 ARG A 38 8.868 -1.605 -14.073 1.00 1.12 H new ATOM 0 HD3 ARG A 38 9.192 -3.176 -14.778 1.00 1.12 H new ATOM 0 HE ARG A 38 6.479 -2.497 -15.350 1.00 1.86 H new ATOM 0 HH11 ARG A 38 9.778 -1.520 -16.136 1.00 2.26 H new ATOM 0 HH12 ARG A 38 9.339 -0.886 -17.725 1.00 2.26 H new ATOM 0 HH21 ARG A 38 5.914 -1.656 -17.389 1.00 3.39 H new ATOM 0 HH22 ARG A 38 7.160 -0.963 -18.432 1.00 3.39 H new ATOM 643 N GLY A 39 7.039 -5.935 -10.293 1.00 0.19 N ATOM 644 CA GLY A 39 7.006 -7.384 -10.248 1.00 0.23 C ATOM 645 C GLY A 39 7.506 -7.925 -8.926 1.00 0.22 C ATOM 646 O GLY A 39 8.392 -8.784 -8.891 1.00 0.30 O ATOM 0 H GLY A 39 6.187 -5.482 -9.962 1.00 0.19 H new ATOM 0 HA2 GLY A 39 5.986 -7.728 -10.417 1.00 0.23 H new ATOM 0 HA3 GLY A 39 7.616 -7.785 -11.057 1.00 0.23 H new ATOM 650 N ILE A 40 6.961 -7.406 -7.835 1.00 0.18 N ATOM 651 CA ILE A 40 7.305 -7.907 -6.502 1.00 0.19 C ATOM 652 C ILE A 40 6.084 -8.533 -5.846 1.00 0.20 C ATOM 653 O ILE A 40 4.958 -8.191 -6.180 1.00 0.23 O ATOM 654 CB ILE A 40 7.868 -6.807 -5.568 1.00 0.21 C ATOM 655 CG1 ILE A 40 6.858 -5.671 -5.408 1.00 0.20 C ATOM 656 CG2 ILE A 40 9.200 -6.279 -6.087 1.00 0.23 C ATOM 657 CD1 ILE A 40 7.262 -4.627 -4.389 1.00 0.20 C ATOM 0 H ILE A 40 6.283 -6.644 -7.840 1.00 0.18 H new ATOM 0 HA ILE A 40 8.088 -8.651 -6.647 1.00 0.19 H new ATOM 0 HB ILE A 40 8.043 -7.250 -4.588 1.00 0.21 H new ATOM 0 HG12 ILE A 40 6.717 -5.186 -6.374 1.00 0.20 H new ATOM 0 HG13 ILE A 40 5.895 -6.093 -5.119 1.00 0.20 H new ATOM 0 HG21 ILE A 40 9.573 -5.508 -5.413 1.00 0.23 H new ATOM 0 HG22 ILE A 40 9.920 -7.096 -6.138 1.00 0.23 H new ATOM 0 HG23 ILE A 40 9.061 -5.855 -7.081 1.00 0.23 H new ATOM 0 HD11 ILE A 40 6.494 -3.856 -4.334 1.00 0.20 H new ATOM 0 HD12 ILE A 40 7.375 -5.097 -3.412 1.00 0.20 H new ATOM 0 HD13 ILE A 40 8.209 -4.176 -4.686 1.00 0.20 H new ATOM 669 N ASN A 41 6.299 -9.449 -4.921 1.00 0.25 N ATOM 670 CA ASN A 41 5.190 -10.061 -4.206 1.00 0.25 C ATOM 671 C ASN A 41 5.116 -9.502 -2.799 1.00 0.25 C ATOM 672 O ASN A 41 6.095 -9.558 -2.049 1.00 0.38 O ATOM 673 CB ASN A 41 5.338 -11.585 -4.155 1.00 0.39 C ATOM 674 CG ASN A 41 5.321 -12.223 -5.530 1.00 1.43 C ATOM 675 OD1 ASN A 41 4.675 -11.729 -6.456 1.00 2.29 O ATOM 676 ND2 ASN A 41 6.039 -13.323 -5.675 1.00 2.16 N ATOM 0 H ASN A 41 7.222 -9.785 -4.647 1.00 0.25 H new ATOM 0 HA ASN A 41 4.269 -9.828 -4.740 1.00 0.25 H new ATOM 0 HB2 ASN A 41 6.272 -11.838 -3.653 1.00 0.39 H new ATOM 0 HB3 ASN A 41 4.530 -12.004 -3.555 1.00 0.39 H new ATOM 0 HD21 ASN A 41 6.072 -13.795 -6.579 1.00 2.16 H new ATOM 0 HD22 ASN A 41 6.560 -13.700 -4.883 1.00 2.16 H new ATOM 683 N VAL A 42 3.965 -8.951 -2.442 1.00 0.19 N ATOM 684 CA VAL A 42 3.806 -8.335 -1.137 1.00 0.20 C ATOM 685 C VAL A 42 2.562 -8.855 -0.438 1.00 0.18 C ATOM 686 O VAL A 42 1.496 -8.972 -1.039 1.00 0.19 O ATOM 687 CB VAL A 42 3.731 -6.793 -1.227 1.00 0.25 C ATOM 688 CG1 VAL A 42 5.057 -6.213 -1.694 1.00 0.31 C ATOM 689 CG2 VAL A 42 2.601 -6.352 -2.147 1.00 0.27 C ATOM 0 H VAL A 42 3.135 -8.919 -3.034 1.00 0.19 H new ATOM 0 HA VAL A 42 4.690 -8.604 -0.558 1.00 0.20 H new ATOM 0 HB VAL A 42 3.522 -6.411 -0.228 1.00 0.25 H new ATOM 0 HG11 VAL A 42 4.980 -5.127 -1.750 1.00 0.31 H new ATOM 0 HG12 VAL A 42 5.842 -6.485 -0.988 1.00 0.31 H new ATOM 0 HG13 VAL A 42 5.301 -6.610 -2.679 1.00 0.31 H new ATOM 0 HG21 VAL A 42 2.572 -5.263 -2.191 1.00 0.27 H new ATOM 0 HG22 VAL A 42 2.769 -6.752 -3.147 1.00 0.27 H new ATOM 0 HG23 VAL A 42 1.652 -6.725 -1.762 1.00 0.27 H new ATOM 699 N VAL A 43 2.708 -9.182 0.827 1.00 0.18 N ATOM 700 CA VAL A 43 1.584 -9.567 1.645 1.00 0.18 C ATOM 701 C VAL A 43 0.959 -8.318 2.238 1.00 0.19 C ATOM 702 O VAL A 43 1.594 -7.603 3.017 1.00 0.29 O ATOM 703 CB VAL A 43 1.999 -10.526 2.782 1.00 0.23 C ATOM 704 CG1 VAL A 43 0.782 -10.980 3.576 1.00 0.79 C ATOM 705 CG2 VAL A 43 2.760 -11.723 2.228 1.00 0.70 C ATOM 0 H VAL A 43 3.604 -9.188 1.313 1.00 0.18 H new ATOM 0 HA VAL A 43 0.868 -10.095 1.015 1.00 0.18 H new ATOM 0 HB VAL A 43 2.662 -9.985 3.457 1.00 0.23 H new ATOM 0 HG11 VAL A 43 1.098 -11.655 4.372 1.00 0.79 H new ATOM 0 HG12 VAL A 43 0.287 -10.112 4.011 1.00 0.79 H new ATOM 0 HG13 VAL A 43 0.089 -11.499 2.914 1.00 0.79 H new ATOM 0 HG21 VAL A 43 3.042 -12.385 3.046 1.00 0.70 H new ATOM 0 HG22 VAL A 43 2.126 -12.264 1.526 1.00 0.70 H new ATOM 0 HG23 VAL A 43 3.657 -11.378 1.715 1.00 0.70 H new ATOM 715 N TYR A 44 -0.262 -8.029 1.830 1.00 0.15 N ATOM 716 CA TYR A 44 -0.979 -6.886 2.350 1.00 0.19 C ATOM 717 C TYR A 44 -1.619 -7.245 3.680 1.00 0.21 C ATOM 718 O TYR A 44 -2.490 -8.115 3.749 1.00 0.29 O ATOM 719 CB TYR A 44 -2.033 -6.412 1.346 1.00 0.24 C ATOM 720 CG TYR A 44 -3.035 -5.446 1.933 1.00 0.29 C ATOM 721 CD1 TYR A 44 -2.630 -4.196 2.380 1.00 0.35 C ATOM 722 CD2 TYR A 44 -4.382 -5.775 2.029 1.00 0.38 C ATOM 723 CE1 TYR A 44 -3.537 -3.301 2.907 1.00 0.41 C ATOM 724 CE2 TYR A 44 -5.296 -4.882 2.552 1.00 0.44 C ATOM 725 CZ TYR A 44 -4.886 -3.696 3.038 1.00 0.42 C ATOM 726 OH TYR A 44 -5.774 -2.753 3.508 1.00 0.50 O ATOM 0 H TYR A 44 -0.777 -8.573 1.138 1.00 0.15 H new ATOM 0 HA TYR A 44 -0.278 -6.067 2.510 1.00 0.19 H new ATOM 0 HB2 TYR A 44 -1.532 -5.936 0.503 1.00 0.24 H new ATOM 0 HB3 TYR A 44 -2.564 -7.279 0.952 1.00 0.24 H new ATOM 0 HD1 TYR A 44 -1.588 -3.920 2.314 1.00 0.35 H new ATOM 0 HD2 TYR A 44 -4.719 -6.743 1.690 1.00 0.38 H new ATOM 0 HE1 TYR A 44 -3.221 -2.315 3.214 1.00 0.41 H new ATOM 0 HE2 TYR A 44 -6.345 -5.137 2.571 1.00 0.44 H new ATOM 0 HH TYR A 44 -5.402 -1.857 3.371 1.00 0.50 H new ATOM 736 N THR A 45 -1.159 -6.598 4.734 1.00 0.23 N ATOM 737 CA THR A 45 -1.696 -6.831 6.058 1.00 0.29 C ATOM 738 C THR A 45 -2.649 -5.709 6.454 1.00 0.27 C ATOM 739 O THR A 45 -2.218 -4.600 6.776 1.00 0.30 O ATOM 740 CB THR A 45 -0.567 -6.951 7.100 1.00 0.39 C ATOM 741 OG1 THR A 45 0.360 -5.864 6.954 1.00 1.25 O ATOM 742 CG2 THR A 45 0.171 -8.274 6.952 1.00 1.13 C ATOM 0 H THR A 45 -0.412 -5.905 4.697 1.00 0.23 H new ATOM 0 HA THR A 45 -2.246 -7.772 6.033 1.00 0.29 H new ATOM 0 HB THR A 45 -1.018 -6.912 8.092 1.00 0.39 H new ATOM 0 HG1 THR A 45 -0.134 -5.026 6.837 1.00 1.25 H new ATOM 0 HG21 THR A 45 0.963 -8.334 7.699 1.00 1.13 H new ATOM 0 HG22 THR A 45 -0.527 -9.098 7.096 1.00 1.13 H new ATOM 0 HG23 THR A 45 0.607 -8.338 5.955 1.00 1.13 H new ATOM 750 N PRO A 46 -3.961 -5.980 6.420 1.00 0.30 N ATOM 751 CA PRO A 46 -4.979 -5.011 6.817 1.00 0.33 C ATOM 752 C PRO A 46 -4.928 -4.730 8.311 1.00 0.32 C ATOM 753 O PRO A 46 -4.721 -5.642 9.113 1.00 0.35 O ATOM 754 CB PRO A 46 -6.307 -5.691 6.451 1.00 0.40 C ATOM 755 CG PRO A 46 -5.937 -6.827 5.561 1.00 0.43 C ATOM 756 CD PRO A 46 -4.562 -7.247 5.990 1.00 0.38 C ATOM 0 HA PRO A 46 -4.839 -4.049 6.324 1.00 0.33 H new ATOM 0 HB2 PRO A 46 -6.827 -6.043 7.342 1.00 0.40 H new ATOM 0 HB3 PRO A 46 -6.977 -4.997 5.944 1.00 0.40 H new ATOM 0 HG2 PRO A 46 -6.646 -7.649 5.660 1.00 0.43 H new ATOM 0 HG3 PRO A 46 -5.945 -6.523 4.514 1.00 0.43 H new ATOM 0 HD2 PRO A 46 -4.595 -7.976 6.800 1.00 0.38 H new ATOM 0 HD3 PRO A 46 -4.004 -7.704 5.173 1.00 0.38 H new ATOM 764 N PRO A 47 -5.090 -3.459 8.698 1.00 0.33 N ATOM 765 CA PRO A 47 -5.146 -3.070 10.105 1.00 0.37 C ATOM 766 C PRO A 47 -6.251 -3.823 10.835 1.00 0.40 C ATOM 767 O PRO A 47 -7.325 -4.064 10.282 1.00 0.41 O ATOM 768 CB PRO A 47 -5.451 -1.569 10.058 1.00 0.37 C ATOM 769 CG PRO A 47 -5.003 -1.131 8.706 1.00 0.48 C ATOM 770 CD PRO A 47 -5.228 -2.304 7.798 1.00 0.35 C ATOM 0 HA PRO A 47 -4.224 -3.298 10.640 1.00 0.37 H new ATOM 0 HB2 PRO A 47 -6.514 -1.377 10.204 1.00 0.37 H new ATOM 0 HB3 PRO A 47 -4.919 -1.033 10.844 1.00 0.37 H new ATOM 0 HG2 PRO A 47 -5.569 -0.262 8.369 1.00 0.48 H new ATOM 0 HG3 PRO A 47 -3.952 -0.842 8.717 1.00 0.48 H new ATOM 0 HD2 PRO A 47 -6.214 -2.271 7.334 1.00 0.35 H new ATOM 0 HD3 PRO A 47 -4.497 -2.334 6.990 1.00 0.35 H new ATOM 778 N GLN A 48 -5.971 -4.182 12.082 1.00 0.52 N ATOM 779 CA GLN A 48 -6.852 -5.033 12.881 1.00 0.63 C ATOM 780 C GLN A 48 -8.262 -4.458 13.021 1.00 0.57 C ATOM 781 O GLN A 48 -9.210 -5.193 13.288 1.00 0.68 O ATOM 782 CB GLN A 48 -6.253 -5.273 14.274 1.00 0.83 C ATOM 783 CG GLN A 48 -5.994 -4.011 15.101 1.00 0.89 C ATOM 784 CD GLN A 48 -4.756 -3.243 14.666 1.00 1.22 C ATOM 785 OE1 GLN A 48 -4.949 -2.172 13.912 1.00 1.54 O flip ATOM 786 NE2 GLN A 48 -3.637 -3.571 15.055 1.00 1.92 N flip ATOM 0 H GLN A 48 -5.125 -3.892 12.571 1.00 0.52 H new ATOM 0 HA GLN A 48 -6.935 -5.979 12.347 1.00 0.63 H new ATOM 0 HB2 GLN A 48 -6.926 -5.923 14.834 1.00 0.83 H new ATOM 0 HB3 GLN A 48 -5.312 -5.812 14.159 1.00 0.83 H new ATOM 0 HG2 GLN A 48 -6.862 -3.355 15.030 1.00 0.89 H new ATOM 0 HG3 GLN A 48 -5.889 -4.289 16.150 1.00 0.89 H new ATOM 0 HE21 GLN A 48 -3.522 -4.402 15.635 1.00 1.92 H new ATOM 0 HE22 GLN A 48 -2.824 -3.012 14.798 1.00 1.92 H new ATOM 795 N SER A 49 -8.394 -3.157 12.818 1.00 0.49 N ATOM 796 CA SER A 49 -9.677 -2.476 12.951 1.00 0.51 C ATOM 797 C SER A 49 -10.569 -2.717 11.728 1.00 0.51 C ATOM 798 O SER A 49 -11.733 -2.315 11.708 1.00 0.59 O ATOM 799 CB SER A 49 -9.436 -0.979 13.147 1.00 0.56 C ATOM 800 OG SER A 49 -8.625 -0.739 14.283 1.00 1.58 O ATOM 0 H SER A 49 -7.621 -2.544 12.558 1.00 0.49 H new ATOM 0 HA SER A 49 -10.197 -2.881 13.819 1.00 0.51 H new ATOM 0 HB2 SER A 49 -8.957 -0.565 12.260 1.00 0.56 H new ATOM 0 HB3 SER A 49 -10.391 -0.466 13.262 1.00 0.56 H new ATOM 0 HG SER A 49 -8.484 0.225 14.386 1.00 1.58 H new ATOM 806 N PHE A 50 -10.014 -3.369 10.712 1.00 0.47 N ATOM 807 CA PHE A 50 -10.731 -3.610 9.463 1.00 0.51 C ATOM 808 C PHE A 50 -11.446 -4.954 9.472 1.00 0.58 C ATOM 809 O PHE A 50 -12.394 -5.162 8.716 1.00 0.67 O ATOM 810 CB PHE A 50 -9.767 -3.569 8.275 1.00 0.49 C ATOM 811 CG PHE A 50 -9.285 -2.193 7.909 1.00 0.50 C ATOM 812 CD1 PHE A 50 -8.857 -1.323 8.895 1.00 0.50 C ATOM 813 CD2 PHE A 50 -9.262 -1.769 6.590 1.00 0.69 C ATOM 814 CE1 PHE A 50 -8.415 -0.055 8.573 1.00 0.57 C ATOM 815 CE2 PHE A 50 -8.820 -0.504 6.262 1.00 0.76 C ATOM 816 CZ PHE A 50 -8.395 0.343 7.215 1.00 0.65 C ATOM 0 H PHE A 50 -9.065 -3.742 10.729 1.00 0.47 H new ATOM 0 HA PHE A 50 -11.476 -2.820 9.366 1.00 0.51 H new ATOM 0 HB2 PHE A 50 -8.903 -4.194 8.503 1.00 0.49 H new ATOM 0 HB3 PHE A 50 -10.260 -4.010 7.408 1.00 0.49 H new ATOM 0 HD1 PHE A 50 -8.869 -1.639 9.928 1.00 0.50 H new ATOM 0 HD2 PHE A 50 -9.594 -2.437 5.809 1.00 0.69 H new ATOM 0 HE1 PHE A 50 -8.089 0.624 9.347 1.00 0.57 H new ATOM 0 HE2 PHE A 50 -8.815 -0.191 5.228 1.00 0.76 H new ATOM 0 HZ PHE A 50 -8.039 1.326 6.945 1.00 0.65 H new ATOM 826 N GLN A 51 -10.976 -5.857 10.332 1.00 0.58 N ATOM 827 CA GLN A 51 -11.461 -7.237 10.366 1.00 0.67 C ATOM 828 C GLN A 51 -11.337 -7.880 8.986 1.00 0.65 C ATOM 829 O GLN A 51 -12.225 -8.607 8.537 1.00 0.88 O ATOM 830 CB GLN A 51 -12.910 -7.327 10.871 1.00 0.82 C ATOM 831 CG GLN A 51 -13.072 -6.981 12.345 1.00 0.94 C ATOM 832 CD GLN A 51 -13.169 -5.489 12.605 1.00 1.28 C ATOM 833 OE1 GLN A 51 -13.691 -4.735 11.784 1.00 1.77 O ATOM 834 NE2 GLN A 51 -12.663 -5.053 13.748 1.00 1.99 N ATOM 0 H GLN A 51 -10.252 -5.655 11.022 1.00 0.58 H new ATOM 0 HA GLN A 51 -10.836 -7.784 11.072 1.00 0.67 H new ATOM 0 HB2 GLN A 51 -13.533 -6.656 10.280 1.00 0.82 H new ATOM 0 HB3 GLN A 51 -13.281 -8.338 10.702 1.00 0.82 H new ATOM 0 HG2 GLN A 51 -13.968 -7.469 12.729 1.00 0.94 H new ATOM 0 HG3 GLN A 51 -12.226 -7.385 12.901 1.00 0.94 H new ATOM 0 HE21 GLN A 51 -12.239 -5.711 14.402 1.00 1.99 H new ATOM 0 HE22 GLN A 51 -12.697 -4.059 13.975 1.00 1.99 H new ATOM 843 N SER A 52 -10.222 -7.612 8.322 1.00 0.51 N ATOM 844 CA SER A 52 -9.995 -8.111 6.980 1.00 0.51 C ATOM 845 C SER A 52 -8.887 -9.165 6.994 1.00 0.43 C ATOM 846 O SER A 52 -8.076 -9.212 7.920 1.00 0.44 O ATOM 847 CB SER A 52 -9.629 -6.954 6.050 1.00 0.53 C ATOM 848 OG SER A 52 -9.554 -7.385 4.700 1.00 1.35 O ATOM 0 H SER A 52 -9.459 -7.048 8.696 1.00 0.51 H new ATOM 0 HA SER A 52 -10.908 -8.577 6.610 1.00 0.51 H new ATOM 0 HB2 SER A 52 -10.372 -6.162 6.141 1.00 0.53 H new ATOM 0 HB3 SER A 52 -8.672 -6.529 6.353 1.00 0.53 H new ATOM 0 HG SER A 52 -9.170 -6.671 4.149 1.00 1.35 H new ATOM 854 N ALA A 53 -8.856 -10.003 5.967 1.00 0.46 N ATOM 855 CA ALA A 53 -7.888 -11.088 5.890 1.00 0.43 C ATOM 856 C ALA A 53 -6.667 -10.670 5.077 1.00 0.36 C ATOM 857 O ALA A 53 -6.801 -10.148 3.970 1.00 0.38 O ATOM 858 CB ALA A 53 -8.532 -12.325 5.278 1.00 0.50 C ATOM 0 H ALA A 53 -9.493 -9.951 5.172 1.00 0.46 H new ATOM 0 HA ALA A 53 -7.559 -11.325 6.902 1.00 0.43 H new ATOM 0 HB1 ALA A 53 -7.798 -13.129 5.226 1.00 0.50 H new ATOM 0 HB2 ALA A 53 -9.373 -12.641 5.895 1.00 0.50 H new ATOM 0 HB3 ALA A 53 -8.887 -12.092 4.274 1.00 0.50 H new ATOM 864 N PRO A 54 -5.460 -10.876 5.631 1.00 0.33 N ATOM 865 CA PRO A 54 -4.205 -10.565 4.941 1.00 0.30 C ATOM 866 C PRO A 54 -4.034 -11.399 3.678 1.00 0.28 C ATOM 867 O PRO A 54 -4.196 -12.622 3.703 1.00 0.29 O ATOM 868 CB PRO A 54 -3.119 -10.915 5.966 1.00 0.35 C ATOM 869 CG PRO A 54 -3.826 -10.975 7.278 1.00 0.56 C ATOM 870 CD PRO A 54 -5.226 -11.422 6.975 1.00 0.39 C ATOM 0 HA PRO A 54 -4.167 -9.526 4.615 1.00 0.30 H new ATOM 0 HB2 PRO A 54 -2.646 -11.868 5.729 1.00 0.35 H new ATOM 0 HB3 PRO A 54 -2.331 -10.162 5.977 1.00 0.35 H new ATOM 0 HG2 PRO A 54 -3.332 -11.672 7.955 1.00 0.56 H new ATOM 0 HG3 PRO A 54 -3.825 -10.001 7.766 1.00 0.56 H new ATOM 0 HD2 PRO A 54 -5.316 -12.508 6.991 1.00 0.39 H new ATOM 0 HD3 PRO A 54 -5.941 -11.032 7.700 1.00 0.39 H new ATOM 878 N ARG A 55 -3.689 -10.742 2.583 1.00 0.27 N ATOM 879 CA ARG A 55 -3.612 -11.408 1.294 1.00 0.30 C ATOM 880 C ARG A 55 -2.404 -10.906 0.513 1.00 0.24 C ATOM 881 O ARG A 55 -2.087 -9.718 0.541 1.00 0.20 O ATOM 882 CB ARG A 55 -4.904 -11.160 0.509 1.00 0.41 C ATOM 883 CG ARG A 55 -4.993 -11.923 -0.804 1.00 0.52 C ATOM 884 CD ARG A 55 -6.322 -11.671 -1.499 1.00 0.82 C ATOM 885 NE ARG A 55 -7.457 -12.147 -0.709 1.00 1.64 N ATOM 886 CZ ARG A 55 -8.433 -11.356 -0.257 1.00 2.46 C ATOM 887 NH1 ARG A 55 -8.409 -10.051 -0.506 1.00 2.66 N ATOM 888 NH2 ARG A 55 -9.431 -11.870 0.449 1.00 3.34 N ATOM 0 H ARG A 55 -3.458 -9.749 2.561 1.00 0.27 H new ATOM 0 HA ARG A 55 -3.495 -12.480 1.450 1.00 0.30 H new ATOM 0 HB2 ARG A 55 -5.754 -11.435 1.134 1.00 0.41 H new ATOM 0 HB3 ARG A 55 -4.991 -10.093 0.303 1.00 0.41 H new ATOM 0 HG2 ARG A 55 -4.175 -11.622 -1.458 1.00 0.52 H new ATOM 0 HG3 ARG A 55 -4.875 -12.990 -0.616 1.00 0.52 H new ATOM 0 HD2 ARG A 55 -6.435 -10.603 -1.688 1.00 0.82 H new ATOM 0 HD3 ARG A 55 -6.323 -12.168 -2.469 1.00 0.82 H new ATOM 0 HE ARG A 55 -7.506 -13.142 -0.490 1.00 1.64 H new ATOM 0 HH11 ARG A 55 -7.642 -9.649 -1.045 1.00 2.66 H new ATOM 0 HH12 ARG A 55 -9.157 -9.452 -0.158 1.00 2.66 H new ATOM 0 HH21 ARG A 55 -9.453 -12.870 0.647 1.00 3.34 H new ATOM 0 HH22 ARG A 55 -10.176 -11.265 0.794 1.00 3.34 H new ATOM 902 N VAL A 56 -1.725 -11.816 -0.166 1.00 0.27 N ATOM 903 CA VAL A 56 -0.551 -11.466 -0.952 1.00 0.25 C ATOM 904 C VAL A 56 -0.954 -11.030 -2.363 1.00 0.25 C ATOM 905 O VAL A 56 -1.861 -11.606 -2.970 1.00 0.31 O ATOM 906 CB VAL A 56 0.452 -12.646 -1.015 1.00 0.32 C ATOM 907 CG1 VAL A 56 -0.190 -13.881 -1.632 1.00 1.22 C ATOM 908 CG2 VAL A 56 1.710 -12.261 -1.778 1.00 1.18 C ATOM 0 H VAL A 56 -1.967 -12.807 -0.189 1.00 0.27 H new ATOM 0 HA VAL A 56 -0.057 -10.629 -0.459 1.00 0.25 H new ATOM 0 HB VAL A 56 0.738 -12.886 0.009 1.00 0.32 H new ATOM 0 HG11 VAL A 56 0.537 -14.692 -1.663 1.00 1.22 H new ATOM 0 HG12 VAL A 56 -1.047 -14.185 -1.031 1.00 1.22 H new ATOM 0 HG13 VAL A 56 -0.521 -13.652 -2.645 1.00 1.22 H new ATOM 0 HG21 VAL A 56 2.393 -13.110 -1.805 1.00 1.18 H new ATOM 0 HG22 VAL A 56 1.445 -11.976 -2.796 1.00 1.18 H new ATOM 0 HG23 VAL A 56 2.194 -11.421 -1.281 1.00 1.18 H new ATOM 918 N TYR A 57 -0.291 -9.999 -2.865 1.00 0.20 N ATOM 919 CA TYR A 57 -0.564 -9.471 -4.191 1.00 0.20 C ATOM 920 C TYR A 57 0.750 -9.258 -4.924 1.00 0.19 C ATOM 921 O TYR A 57 1.779 -8.993 -4.297 1.00 0.21 O ATOM 922 CB TYR A 57 -1.322 -8.138 -4.109 1.00 0.20 C ATOM 923 CG TYR A 57 -2.703 -8.235 -3.494 1.00 0.27 C ATOM 924 CD1 TYR A 57 -3.789 -8.658 -4.248 1.00 0.36 C ATOM 925 CD2 TYR A 57 -2.915 -7.918 -2.160 1.00 0.36 C ATOM 926 CE1 TYR A 57 -5.048 -8.759 -3.691 1.00 0.45 C ATOM 927 CE2 TYR A 57 -4.173 -8.019 -1.593 1.00 0.45 C ATOM 928 CZ TYR A 57 -5.241 -8.385 -2.368 1.00 0.46 C ATOM 929 OH TYR A 57 -6.491 -8.545 -1.808 1.00 0.57 O ATOM 0 H TYR A 57 0.449 -9.507 -2.365 1.00 0.20 H new ATOM 0 HA TYR A 57 -1.185 -10.188 -4.728 1.00 0.20 H new ATOM 0 HB2 TYR A 57 -0.728 -7.433 -3.528 1.00 0.20 H new ATOM 0 HB3 TYR A 57 -1.414 -7.725 -5.114 1.00 0.20 H new ATOM 0 HD1 TYR A 57 -3.647 -8.912 -5.288 1.00 0.36 H new ATOM 0 HD2 TYR A 57 -2.084 -7.587 -1.554 1.00 0.36 H new ATOM 0 HE1 TYR A 57 -5.876 -9.126 -4.279 1.00 0.45 H new ATOM 0 HE2 TYR A 57 -4.312 -7.810 -0.543 1.00 0.45 H new ATOM 0 HH TYR A 57 -7.167 -8.563 -2.517 1.00 0.57 H new ATOM 939 N ARG A 58 0.728 -9.393 -6.238 1.00 0.23 N ATOM 940 CA ARG A 58 1.907 -9.113 -7.031 1.00 0.27 C ATOM 941 C ARG A 58 1.847 -7.691 -7.554 1.00 0.25 C ATOM 942 O ARG A 58 0.949 -7.330 -8.317 1.00 0.37 O ATOM 943 CB ARG A 58 2.058 -10.087 -8.196 1.00 0.40 C ATOM 944 CG ARG A 58 3.297 -9.811 -9.036 1.00 0.57 C ATOM 945 CD ARG A 58 3.436 -10.792 -10.183 1.00 1.11 C ATOM 946 NE ARG A 58 2.303 -10.733 -11.103 1.00 1.96 N ATOM 947 CZ ARG A 58 1.979 -11.713 -11.941 1.00 2.71 C ATOM 948 NH1 ARG A 58 2.608 -12.880 -11.870 1.00 2.90 N ATOM 949 NH2 ARG A 58 1.008 -11.533 -12.827 1.00 3.71 N ATOM 0 H ARG A 58 -0.087 -9.692 -6.773 1.00 0.23 H new ATOM 0 HA ARG A 58 2.776 -9.235 -6.385 1.00 0.27 H new ATOM 0 HB2 ARG A 58 2.106 -11.105 -7.809 1.00 0.40 H new ATOM 0 HB3 ARG A 58 1.174 -10.028 -8.830 1.00 0.40 H new ATOM 0 HG2 ARG A 58 3.248 -8.796 -9.431 1.00 0.57 H new ATOM 0 HG3 ARG A 58 4.183 -9.865 -8.404 1.00 0.57 H new ATOM 0 HD2 ARG A 58 4.356 -10.582 -10.729 1.00 1.11 H new ATOM 0 HD3 ARG A 58 3.526 -11.803 -9.785 1.00 1.11 H new ATOM 0 HE ARG A 58 1.727 -9.891 -11.103 1.00 1.96 H new ATOM 0 HH11 ARG A 58 3.339 -13.024 -11.173 1.00 2.90 H new ATOM 0 HH12 ARG A 58 2.360 -13.633 -12.512 1.00 2.90 H new ATOM 0 HH21 ARG A 58 0.511 -10.643 -12.865 1.00 3.71 H new ATOM 0 HH22 ARG A 58 0.759 -12.284 -13.470 1.00 3.71 H new ATOM 963 N VAL A 59 2.801 -6.892 -7.126 1.00 0.19 N ATOM 964 CA VAL A 59 2.892 -5.509 -7.535 1.00 0.17 C ATOM 965 C VAL A 59 3.324 -5.402 -8.980 1.00 0.17 C ATOM 966 O VAL A 59 4.428 -5.829 -9.340 1.00 0.18 O ATOM 967 CB VAL A 59 3.899 -4.745 -6.658 1.00 0.18 C ATOM 968 CG1 VAL A 59 4.108 -3.329 -7.164 1.00 0.20 C ATOM 969 CG2 VAL A 59 3.433 -4.720 -5.223 1.00 0.20 C ATOM 0 H VAL A 59 3.537 -7.185 -6.483 1.00 0.19 H new ATOM 0 HA VAL A 59 1.901 -5.069 -7.419 1.00 0.17 H new ATOM 0 HB VAL A 59 4.854 -5.268 -6.713 1.00 0.18 H new ATOM 0 HG11 VAL A 59 4.825 -2.816 -6.523 1.00 0.20 H new ATOM 0 HG12 VAL A 59 4.491 -3.360 -8.184 1.00 0.20 H new ATOM 0 HG13 VAL A 59 3.159 -2.793 -7.149 1.00 0.20 H new ATOM 0 HG21 VAL A 59 4.156 -4.176 -4.615 1.00 0.20 H new ATOM 0 HG22 VAL A 59 2.464 -4.225 -5.164 1.00 0.20 H new ATOM 0 HG23 VAL A 59 3.342 -5.741 -4.852 1.00 0.20 H new ATOM 979 N ASN A 60 2.448 -4.835 -9.797 1.00 0.17 N ATOM 980 CA ASN A 60 2.777 -4.522 -11.174 1.00 0.18 C ATOM 981 C ASN A 60 3.472 -3.172 -11.216 1.00 0.18 C ATOM 982 O ASN A 60 4.305 -2.909 -12.088 1.00 0.21 O ATOM 983 CB ASN A 60 1.517 -4.493 -12.047 1.00 0.23 C ATOM 984 CG ASN A 60 0.794 -5.830 -12.092 1.00 1.14 C ATOM 985 OD1 ASN A 60 -0.071 -6.110 -11.263 1.00 2.02 O ATOM 986 ND2 ASN A 60 1.136 -6.665 -13.064 1.00 1.61 N ATOM 0 H ASN A 60 1.498 -4.582 -9.524 1.00 0.17 H new ATOM 0 HA ASN A 60 3.437 -5.295 -11.568 1.00 0.18 H new ATOM 0 HB2 ASN A 60 0.836 -3.731 -11.668 1.00 0.23 H new ATOM 0 HB3 ASN A 60 1.791 -4.200 -13.061 1.00 0.23 H new ATOM 0 HD21 ASN A 60 0.677 -7.573 -13.142 1.00 1.61 H new ATOM 0 HD22 ASN A 60 1.858 -6.399 -13.734 1.00 1.61 H new ATOM 993 N GLY A 61 3.114 -2.317 -10.260 1.00 0.18 N ATOM 994 CA GLY A 61 3.774 -1.038 -10.113 1.00 0.23 C ATOM 995 C GLY A 61 3.087 -0.143 -9.102 1.00 0.21 C ATOM 996 O GLY A 61 2.558 -0.621 -8.097 1.00 0.21 O ATOM 0 H GLY A 61 2.373 -2.493 -9.582 1.00 0.18 H new ATOM 0 HA2 GLY A 61 4.808 -1.199 -9.807 1.00 0.23 H new ATOM 0 HA3 GLY A 61 3.802 -0.534 -11.079 1.00 0.23 H new ATOM 1000 N LEU A 62 3.085 1.154 -9.368 1.00 0.25 N ATOM 1001 CA LEU A 62 2.486 2.120 -8.462 1.00 0.28 C ATOM 1002 C LEU A 62 1.541 3.050 -9.201 1.00 0.32 C ATOM 1003 O LEU A 62 1.581 3.156 -10.426 1.00 0.33 O ATOM 1004 CB LEU A 62 3.567 2.932 -7.756 1.00 0.32 C ATOM 1005 CG LEU A 62 4.382 2.162 -6.723 1.00 0.34 C ATOM 1006 CD1 LEU A 62 5.422 3.067 -6.107 1.00 0.42 C ATOM 1007 CD2 LEU A 62 3.480 1.593 -5.643 1.00 0.35 C ATOM 0 H LEU A 62 3.494 1.563 -10.208 1.00 0.25 H new ATOM 0 HA LEU A 62 1.913 1.567 -7.718 1.00 0.28 H new ATOM 0 HB2 LEU A 62 4.247 3.333 -8.507 1.00 0.32 H new ATOM 0 HB3 LEU A 62 3.097 3.784 -7.264 1.00 0.32 H new ATOM 0 HG LEU A 62 4.882 1.334 -7.225 1.00 0.34 H new ATOM 0 HD11 LEU A 62 6.000 2.509 -5.370 1.00 0.42 H new ATOM 0 HD12 LEU A 62 6.089 3.438 -6.886 1.00 0.42 H new ATOM 0 HD13 LEU A 62 4.929 3.909 -5.620 1.00 0.42 H new ATOM 0 HD21 LEU A 62 4.082 1.047 -4.916 1.00 0.35 H new ATOM 0 HD22 LEU A 62 2.955 2.406 -5.142 1.00 0.35 H new ATOM 0 HD23 LEU A 62 2.754 0.916 -6.094 1.00 0.35 H new ATOM 1019 N SER A 63 0.677 3.701 -8.442 1.00 0.39 N ATOM 1020 CA SER A 63 -0.305 4.608 -8.994 1.00 0.48 C ATOM 1021 C SER A 63 0.323 5.977 -9.230 1.00 0.49 C ATOM 1022 O SER A 63 1.446 6.244 -8.804 1.00 0.60 O ATOM 1023 CB SER A 63 -1.489 4.721 -8.038 1.00 0.66 C ATOM 1024 OG SER A 63 -2.684 5.011 -8.743 1.00 1.57 O ATOM 0 H SER A 63 0.639 3.614 -7.426 1.00 0.39 H new ATOM 0 HA SER A 63 -0.658 4.222 -9.950 1.00 0.48 H new ATOM 0 HB2 SER A 63 -1.605 3.789 -7.486 1.00 0.66 H new ATOM 0 HB3 SER A 63 -1.296 5.504 -7.305 1.00 0.66 H new ATOM 0 HG SER A 63 -2.868 5.972 -8.694 1.00 1.57 H new ATOM 1030 N ARG A 64 -0.417 6.846 -9.905 1.00 0.66 N ATOM 1031 CA ARG A 64 0.115 8.130 -10.339 1.00 0.78 C ATOM 1032 C ARG A 64 -0.088 9.210 -9.291 1.00 0.61 C ATOM 1033 O ARG A 64 0.402 10.330 -9.443 1.00 0.71 O ATOM 1034 CB ARG A 64 -0.530 8.549 -11.663 1.00 1.08 C ATOM 1035 CG ARG A 64 -0.175 7.620 -12.809 1.00 1.53 C ATOM 1036 CD ARG A 64 1.327 7.578 -13.017 1.00 2.14 C ATOM 1037 NE ARG A 64 1.796 6.244 -13.375 1.00 2.62 N ATOM 1038 CZ ARG A 64 2.712 5.577 -12.675 1.00 3.27 C ATOM 1039 NH1 ARG A 64 3.239 6.116 -11.587 1.00 3.51 N ATOM 1040 NH2 ARG A 64 3.099 4.373 -13.059 1.00 4.02 N ATOM 0 H ARG A 64 -1.390 6.684 -10.164 1.00 0.66 H new ATOM 0 HA ARG A 64 1.189 8.010 -10.483 1.00 0.78 H new ATOM 0 HB2 ARG A 64 -1.613 8.573 -11.543 1.00 1.08 H new ATOM 0 HB3 ARG A 64 -0.214 9.562 -11.911 1.00 1.08 H new ATOM 0 HG2 ARG A 64 -0.547 6.617 -12.600 1.00 1.53 H new ATOM 0 HG3 ARG A 64 -0.665 7.957 -13.723 1.00 1.53 H new ATOM 0 HD2 ARG A 64 1.603 8.281 -13.802 1.00 2.14 H new ATOM 0 HD3 ARG A 64 1.828 7.905 -12.106 1.00 2.14 H new ATOM 0 HE ARG A 64 1.402 5.799 -14.204 1.00 2.62 H new ATOM 0 HH11 ARG A 64 2.944 7.044 -11.283 1.00 3.51 H new ATOM 0 HH12 ARG A 64 3.940 5.603 -11.052 1.00 3.51 H new ATOM 0 HH21 ARG A 64 2.696 3.950 -13.895 1.00 4.02 H new ATOM 0 HH22 ARG A 64 3.801 3.867 -12.519 1.00 4.02 H new ATOM 1054 N ALA A 65 -0.814 8.885 -8.239 1.00 0.44 N ATOM 1055 CA ALA A 65 -1.078 9.844 -7.187 1.00 0.36 C ATOM 1056 C ALA A 65 -0.971 9.200 -5.809 1.00 0.33 C ATOM 1057 O ALA A 65 -1.246 8.008 -5.638 1.00 0.33 O ATOM 1058 CB ALA A 65 -2.452 10.464 -7.384 1.00 0.47 C ATOM 0 H ALA A 65 -1.230 7.966 -8.091 1.00 0.44 H new ATOM 0 HA ALA A 65 -0.323 10.628 -7.242 1.00 0.36 H new ATOM 0 HB1 ALA A 65 -2.644 11.184 -6.589 1.00 0.47 H new ATOM 0 HB2 ALA A 65 -2.488 10.970 -8.349 1.00 0.47 H new ATOM 0 HB3 ALA A 65 -3.211 9.682 -7.356 1.00 0.47 H new ATOM 1064 N PRO A 66 -0.522 9.984 -4.819 1.00 0.36 N ATOM 1065 CA PRO A 66 -0.496 9.573 -3.411 1.00 0.37 C ATOM 1066 C PRO A 66 -1.880 9.180 -2.891 1.00 0.33 C ATOM 1067 O PRO A 66 -2.907 9.521 -3.484 1.00 0.34 O ATOM 1068 CB PRO A 66 0.005 10.823 -2.674 1.00 0.45 C ATOM 1069 CG PRO A 66 -0.094 11.944 -3.650 1.00 0.52 C ATOM 1070 CD PRO A 66 0.044 11.329 -5.006 1.00 0.41 C ATOM 0 HA PRO A 66 0.130 8.693 -3.264 1.00 0.37 H new ATOM 0 HB2 PRO A 66 -0.599 11.022 -1.789 1.00 0.45 H new ATOM 0 HB3 PRO A 66 1.033 10.690 -2.335 1.00 0.45 H new ATOM 0 HG2 PRO A 66 -1.048 12.462 -3.553 1.00 0.52 H new ATOM 0 HG3 PRO A 66 0.689 12.682 -3.476 1.00 0.52 H new ATOM 0 HD2 PRO A 66 -0.500 11.894 -5.763 1.00 0.41 H new ATOM 0 HD3 PRO A 66 1.085 11.288 -5.326 1.00 0.41 H new ATOM 1078 N ALA A 67 -1.887 8.478 -1.759 1.00 0.35 N ATOM 1079 CA ALA A 67 -3.118 7.959 -1.160 1.00 0.35 C ATOM 1080 C ALA A 67 -4.074 9.076 -0.757 1.00 0.32 C ATOM 1081 O ALA A 67 -5.287 8.874 -0.712 1.00 0.34 O ATOM 1082 CB ALA A 67 -2.789 7.089 0.046 1.00 0.40 C ATOM 0 H ALA A 67 -1.043 8.253 -1.232 1.00 0.35 H new ATOM 0 HA ALA A 67 -3.620 7.356 -1.916 1.00 0.35 H new ATOM 0 HB1 ALA A 67 -3.712 6.709 0.483 1.00 0.40 H new ATOM 0 HB2 ALA A 67 -2.165 6.252 -0.268 1.00 0.40 H new ATOM 0 HB3 ALA A 67 -2.254 7.682 0.788 1.00 0.40 H new ATOM 1088 N SER A 68 -3.524 10.242 -0.448 1.00 0.36 N ATOM 1089 CA SER A 68 -4.340 11.402 -0.108 1.00 0.39 C ATOM 1090 C SER A 68 -4.959 12.023 -1.359 1.00 0.39 C ATOM 1091 O SER A 68 -5.919 12.784 -1.276 1.00 0.47 O ATOM 1092 CB SER A 68 -3.492 12.443 0.621 1.00 0.46 C ATOM 1093 OG SER A 68 -2.837 11.871 1.738 1.00 1.08 O ATOM 0 H SER A 68 -2.518 10.411 -0.425 1.00 0.36 H new ATOM 0 HA SER A 68 -5.146 11.069 0.546 1.00 0.39 H new ATOM 0 HB2 SER A 68 -2.754 12.860 -0.064 1.00 0.46 H new ATOM 0 HB3 SER A 68 -4.125 13.268 0.949 1.00 0.46 H new ATOM 0 HG SER A 68 -1.895 11.712 1.519 1.00 1.08 H new ATOM 1099 N SER A 69 -4.414 11.685 -2.519 1.00 0.37 N ATOM 1100 CA SER A 69 -4.889 12.248 -3.773 1.00 0.41 C ATOM 1101 C SER A 69 -5.873 11.304 -4.456 1.00 0.43 C ATOM 1102 O SER A 69 -6.959 11.720 -4.862 1.00 0.58 O ATOM 1103 CB SER A 69 -3.707 12.543 -4.700 1.00 0.48 C ATOM 1104 OG SER A 69 -4.138 13.133 -5.916 1.00 1.15 O ATOM 0 H SER A 69 -3.643 11.024 -2.617 1.00 0.37 H new ATOM 0 HA SER A 69 -5.409 13.181 -3.554 1.00 0.41 H new ATOM 0 HB2 SER A 69 -3.007 13.211 -4.198 1.00 0.48 H new ATOM 0 HB3 SER A 69 -3.170 11.619 -4.913 1.00 0.48 H new ATOM 0 HG SER A 69 -3.361 13.311 -6.486 1.00 1.15 H new ATOM 1110 N GLU A 70 -5.490 10.035 -4.572 1.00 0.40 N ATOM 1111 CA GLU A 70 -6.315 9.034 -5.244 1.00 0.47 C ATOM 1112 C GLU A 70 -7.693 8.946 -4.605 1.00 0.45 C ATOM 1113 O GLU A 70 -7.820 8.658 -3.416 1.00 0.40 O ATOM 1114 CB GLU A 70 -5.632 7.671 -5.204 1.00 0.53 C ATOM 1115 CG GLU A 70 -4.324 7.619 -5.974 1.00 0.69 C ATOM 1116 CD GLU A 70 -4.512 7.702 -7.476 1.00 0.71 C ATOM 1117 OE1 GLU A 70 -5.627 8.053 -7.916 1.00 0.79 O ATOM 1118 OE2 GLU A 70 -3.550 7.430 -8.224 1.00 1.09 O ATOM 0 H GLU A 70 -4.609 9.674 -4.207 1.00 0.40 H new ATOM 0 HA GLU A 70 -6.438 9.339 -6.283 1.00 0.47 H new ATOM 0 HB2 GLU A 70 -5.443 7.400 -4.165 1.00 0.53 H new ATOM 0 HB3 GLU A 70 -6.312 6.922 -5.610 1.00 0.53 H new ATOM 0 HG2 GLU A 70 -3.685 8.440 -5.648 1.00 0.69 H new ATOM 0 HG3 GLU A 70 -3.803 6.693 -5.730 1.00 0.69 H new ATOM 1125 N THR A 71 -8.718 9.204 -5.401 1.00 0.57 N ATOM 1126 CA THR A 71 -10.083 9.235 -4.907 1.00 0.59 C ATOM 1127 C THR A 71 -10.929 8.176 -5.605 1.00 0.67 C ATOM 1128 O THR A 71 -10.749 7.919 -6.796 1.00 0.75 O ATOM 1129 CB THR A 71 -10.720 10.616 -5.152 1.00 0.67 C ATOM 1130 OG1 THR A 71 -9.694 11.609 -5.281 1.00 0.93 O ATOM 1131 CG2 THR A 71 -11.651 10.999 -4.013 1.00 0.67 C ATOM 0 H THR A 71 -8.628 9.396 -6.399 1.00 0.57 H new ATOM 0 HA THR A 71 -10.051 9.033 -3.836 1.00 0.59 H new ATOM 0 HB THR A 71 -11.301 10.562 -6.073 1.00 0.67 H new ATOM 0 HG1 THR A 71 -10.104 12.485 -5.438 1.00 0.93 H new ATOM 0 HG21 THR A 71 -12.086 11.978 -4.213 1.00 0.67 H new ATOM 0 HG22 THR A 71 -12.446 10.259 -3.929 1.00 0.67 H new ATOM 0 HG23 THR A 71 -11.089 11.035 -3.080 1.00 0.67 H new ATOM 1139 N PHE A 72 -11.839 7.564 -4.865 1.00 0.67 N ATOM 1140 CA PHE A 72 -12.768 6.599 -5.434 1.00 0.74 C ATOM 1141 C PHE A 72 -14.146 6.780 -4.814 1.00 0.76 C ATOM 1142 O PHE A 72 -14.272 7.287 -3.700 1.00 0.74 O ATOM 1143 CB PHE A 72 -12.262 5.162 -5.233 1.00 0.75 C ATOM 1144 CG PHE A 72 -12.181 4.721 -3.796 1.00 0.67 C ATOM 1145 CD1 PHE A 72 -11.102 5.079 -3.006 1.00 0.56 C ATOM 1146 CD2 PHE A 72 -13.181 3.937 -3.244 1.00 0.74 C ATOM 1147 CE1 PHE A 72 -11.023 4.667 -1.690 1.00 0.51 C ATOM 1148 CE2 PHE A 72 -13.106 3.519 -1.930 1.00 0.69 C ATOM 1149 CZ PHE A 72 -12.026 3.885 -1.152 1.00 0.57 C ATOM 0 H PHE A 72 -11.955 7.719 -3.864 1.00 0.67 H new ATOM 0 HA PHE A 72 -12.840 6.776 -6.507 1.00 0.74 H new ATOM 0 HB2 PHE A 72 -12.920 4.480 -5.772 1.00 0.75 H new ATOM 0 HB3 PHE A 72 -11.273 5.073 -5.683 1.00 0.75 H new ATOM 0 HD1 PHE A 72 -10.313 5.687 -3.423 1.00 0.56 H new ATOM 0 HD2 PHE A 72 -14.029 3.649 -3.848 1.00 0.74 H new ATOM 0 HE1 PHE A 72 -10.178 4.956 -1.083 1.00 0.51 H new ATOM 0 HE2 PHE A 72 -13.891 2.907 -1.512 1.00 0.69 H new ATOM 0 HZ PHE A 72 -11.966 3.560 -0.124 1.00 0.57 H new ATOM 1159 N GLU A 73 -15.179 6.385 -5.543 1.00 0.83 N ATOM 1160 CA GLU A 73 -16.542 6.596 -5.092 1.00 0.86 C ATOM 1161 C GLU A 73 -17.093 5.338 -4.429 1.00 0.87 C ATOM 1162 O GLU A 73 -17.398 4.348 -5.094 1.00 0.89 O ATOM 1163 CB GLU A 73 -17.423 7.021 -6.270 1.00 0.97 C ATOM 1164 CG GLU A 73 -18.822 7.456 -5.868 1.00 1.02 C ATOM 1165 CD GLU A 73 -19.609 8.015 -7.035 1.00 1.29 C ATOM 1166 OE1 GLU A 73 -19.532 9.239 -7.275 1.00 1.68 O ATOM 1167 OE2 GLU A 73 -20.308 7.236 -7.716 1.00 1.34 O ATOM 0 H GLU A 73 -15.098 5.918 -6.446 1.00 0.83 H new ATOM 0 HA GLU A 73 -16.545 7.394 -4.349 1.00 0.86 H new ATOM 0 HB2 GLU A 73 -16.936 7.841 -6.798 1.00 0.97 H new ATOM 0 HB3 GLU A 73 -17.499 6.191 -6.972 1.00 0.97 H new ATOM 0 HG2 GLU A 73 -19.357 6.605 -5.446 1.00 1.02 H new ATOM 0 HG3 GLU A 73 -18.754 8.210 -5.084 1.00 1.02 H new ATOM 1174 N HIS A 74 -17.216 5.393 -3.111 1.00 0.90 N ATOM 1175 CA HIS A 74 -17.744 4.286 -2.332 1.00 0.97 C ATOM 1176 C HIS A 74 -18.936 4.775 -1.523 1.00 1.09 C ATOM 1177 O HIS A 74 -18.858 5.819 -0.874 1.00 1.06 O ATOM 1178 CB HIS A 74 -16.651 3.717 -1.416 1.00 0.90 C ATOM 1179 CG HIS A 74 -17.071 2.523 -0.610 1.00 1.06 C ATOM 1180 ND1 HIS A 74 -17.071 1.256 -1.146 1.00 1.78 N ATOM 1181 CD2 HIS A 74 -17.467 2.454 0.683 1.00 1.09 C ATOM 1182 CE1 HIS A 74 -17.462 0.450 -0.172 1.00 1.77 C ATOM 1183 NE2 HIS A 74 -17.714 1.132 0.954 1.00 1.20 N ATOM 0 H HIS A 74 -16.953 6.206 -2.553 1.00 0.90 H new ATOM 0 HA HIS A 74 -18.071 3.486 -2.996 1.00 0.97 H new ATOM 0 HB2 HIS A 74 -15.790 3.443 -2.026 1.00 0.90 H new ATOM 0 HB3 HIS A 74 -16.322 4.501 -0.735 1.00 0.90 H new ATOM 0 HD2 HIS A 74 -17.569 3.281 1.370 1.00 1.09 H new ATOM 0 HE1 HIS A 74 -17.565 -0.620 -0.272 1.00 1.77 H new ATOM 0 HE2 HIS A 74 -18.029 0.743 1.842 1.00 1.20 H new ATOM 1191 N ASP A 75 -20.047 4.040 -1.601 1.00 1.29 N ATOM 1192 CA ASP A 75 -21.311 4.437 -0.959 1.00 1.48 C ATOM 1193 C ASP A 75 -21.871 5.702 -1.617 1.00 1.39 C ATOM 1194 O ASP A 75 -22.870 6.267 -1.181 1.00 1.46 O ATOM 1195 CB ASP A 75 -21.111 4.649 0.551 1.00 1.61 C ATOM 1196 CG ASP A 75 -22.411 4.890 1.299 1.00 2.16 C ATOM 1197 OD1 ASP A 75 -23.128 3.913 1.594 1.00 2.30 O ATOM 1198 OD2 ASP A 75 -22.727 6.065 1.585 1.00 2.80 O ATOM 0 H ASP A 75 -20.101 3.156 -2.107 1.00 1.29 H new ATOM 0 HA ASP A 75 -22.034 3.632 -1.094 1.00 1.48 H new ATOM 0 HB2 ASP A 75 -20.614 3.775 0.971 1.00 1.61 H new ATOM 0 HB3 ASP A 75 -20.447 5.499 0.707 1.00 1.61 H new ATOM 1203 N GLY A 76 -21.242 6.113 -2.708 1.00 1.28 N ATOM 1204 CA GLY A 76 -21.619 7.346 -3.363 1.00 1.24 C ATOM 1205 C GLY A 76 -20.816 8.526 -2.852 1.00 1.14 C ATOM 1206 O GLY A 76 -21.084 9.672 -3.205 1.00 1.18 O ATOM 0 H GLY A 76 -20.473 5.611 -3.152 1.00 1.28 H new ATOM 0 HA2 GLY A 76 -21.472 7.245 -4.438 1.00 1.24 H new ATOM 0 HA3 GLY A 76 -22.681 7.533 -3.202 1.00 1.24 H new ATOM 1210 N LYS A 77 -19.825 8.242 -2.021 1.00 1.07 N ATOM 1211 CA LYS A 77 -18.936 9.269 -1.505 1.00 1.00 C ATOM 1212 C LYS A 77 -17.561 9.125 -2.143 1.00 0.89 C ATOM 1213 O LYS A 77 -16.997 8.030 -2.166 1.00 0.88 O ATOM 1214 CB LYS A 77 -18.805 9.151 0.018 1.00 1.04 C ATOM 1215 CG LYS A 77 -20.127 9.225 0.766 1.00 1.37 C ATOM 1216 CD LYS A 77 -20.779 10.589 0.621 1.00 1.58 C ATOM 1217 CE LYS A 77 -22.045 10.688 1.455 1.00 1.77 C ATOM 1218 NZ LYS A 77 -22.682 12.024 1.337 1.00 2.07 N ATOM 0 H LYS A 77 -19.616 7.301 -1.688 1.00 1.07 H new ATOM 0 HA LYS A 77 -19.355 10.245 -1.749 1.00 1.00 H new ATOM 0 HB2 LYS A 77 -18.318 8.206 0.257 1.00 1.04 H new ATOM 0 HB3 LYS A 77 -18.152 9.946 0.378 1.00 1.04 H new ATOM 0 HG2 LYS A 77 -20.802 8.457 0.389 1.00 1.37 H new ATOM 0 HG3 LYS A 77 -19.960 9.012 1.822 1.00 1.37 H new ATOM 0 HD2 LYS A 77 -20.077 11.364 0.928 1.00 1.58 H new ATOM 0 HD3 LYS A 77 -21.016 10.771 -0.427 1.00 1.58 H new ATOM 0 HE2 LYS A 77 -22.750 9.920 1.137 1.00 1.77 H new ATOM 0 HE3 LYS A 77 -21.808 10.490 2.500 1.00 1.77 H new ATOM 0 HZ1 LYS A 77 -23.542 12.051 1.921 1.00 2.07 H new ATOM 0 HZ2 LYS A 77 -22.019 12.755 1.664 1.00 2.07 H new ATOM 0 HZ3 LYS A 77 -22.932 12.203 0.343 1.00 2.07 H new ATOM 1232 N LYS A 78 -17.028 10.212 -2.676 1.00 0.90 N ATOM 1233 CA LYS A 78 -15.686 10.182 -3.230 1.00 0.83 C ATOM 1234 C LYS A 78 -14.662 10.394 -2.128 1.00 0.73 C ATOM 1235 O LYS A 78 -14.350 11.527 -1.752 1.00 0.81 O ATOM 1236 CB LYS A 78 -15.514 11.229 -4.331 1.00 0.92 C ATOM 1237 CG LYS A 78 -16.231 10.877 -5.622 1.00 1.01 C ATOM 1238 CD LYS A 78 -16.044 11.960 -6.670 1.00 1.23 C ATOM 1239 CE LYS A 78 -16.879 11.691 -7.913 1.00 1.77 C ATOM 1240 NZ LYS A 78 -18.335 11.639 -7.610 1.00 2.36 N ATOM 0 H LYS A 78 -17.498 11.115 -2.736 1.00 0.90 H new ATOM 0 HA LYS A 78 -15.526 9.202 -3.679 1.00 0.83 H new ATOM 0 HB2 LYS A 78 -15.884 12.188 -3.970 1.00 0.92 H new ATOM 0 HB3 LYS A 78 -14.451 11.355 -4.538 1.00 0.92 H new ATOM 0 HG2 LYS A 78 -15.852 9.929 -6.004 1.00 1.01 H new ATOM 0 HG3 LYS A 78 -17.294 10.739 -5.424 1.00 1.01 H new ATOM 0 HD2 LYS A 78 -16.321 12.926 -6.248 1.00 1.23 H new ATOM 0 HD3 LYS A 78 -14.991 12.022 -6.945 1.00 1.23 H new ATOM 0 HE2 LYS A 78 -16.691 12.471 -8.651 1.00 1.77 H new ATOM 0 HE3 LYS A 78 -16.568 10.747 -8.360 1.00 1.77 H new ATOM 0 HZ1 LYS A 78 -18.876 11.910 -8.456 1.00 2.36 H new ATOM 0 HZ2 LYS A 78 -18.596 10.673 -7.327 1.00 2.36 H new ATOM 0 HZ3 LYS A 78 -18.552 12.297 -6.835 1.00 2.36 H new ATOM 1254 N VAL A 79 -14.152 9.293 -1.614 1.00 0.63 N ATOM 1255 CA VAL A 79 -13.158 9.325 -0.561 1.00 0.54 C ATOM 1256 C VAL A 79 -11.805 8.917 -1.118 1.00 0.48 C ATOM 1257 O VAL A 79 -11.723 8.204 -2.120 1.00 0.51 O ATOM 1258 CB VAL A 79 -13.538 8.393 0.613 1.00 0.53 C ATOM 1259 CG1 VAL A 79 -14.800 8.890 1.300 1.00 0.63 C ATOM 1260 CG2 VAL A 79 -13.719 6.959 0.136 1.00 0.56 C ATOM 0 H VAL A 79 -14.414 8.354 -1.913 1.00 0.63 H new ATOM 0 HA VAL A 79 -13.111 10.345 -0.179 1.00 0.54 H new ATOM 0 HB VAL A 79 -12.721 8.408 1.334 1.00 0.53 H new ATOM 0 HG11 VAL A 79 -15.053 8.222 2.124 1.00 0.63 H new ATOM 0 HG12 VAL A 79 -14.632 9.895 1.686 1.00 0.63 H new ATOM 0 HG13 VAL A 79 -15.621 8.909 0.583 1.00 0.63 H new ATOM 0 HG21 VAL A 79 -13.986 6.325 0.982 1.00 0.56 H new ATOM 0 HG22 VAL A 79 -14.513 6.921 -0.610 1.00 0.56 H new ATOM 0 HG23 VAL A 79 -12.788 6.602 -0.305 1.00 0.56 H new ATOM 1270 N THR A 80 -10.749 9.387 -0.487 1.00 0.42 N ATOM 1271 CA THR A 80 -9.409 9.053 -0.913 1.00 0.37 C ATOM 1272 C THR A 80 -8.961 7.772 -0.231 1.00 0.33 C ATOM 1273 O THR A 80 -9.566 7.364 0.761 1.00 0.32 O ATOM 1274 CB THR A 80 -8.414 10.187 -0.597 1.00 0.34 C ATOM 1275 OG1 THR A 80 -8.407 10.456 0.813 1.00 0.35 O ATOM 1276 CG2 THR A 80 -8.782 11.451 -1.359 1.00 0.46 C ATOM 0 H THR A 80 -10.795 10.003 0.325 1.00 0.42 H new ATOM 0 HA THR A 80 -9.424 8.912 -1.994 1.00 0.37 H new ATOM 0 HB THR A 80 -7.419 9.868 -0.908 1.00 0.34 H new ATOM 0 HG1 THR A 80 -9.327 10.457 1.150 1.00 0.35 H new ATOM 0 HG21 THR A 80 -8.068 12.240 -1.122 1.00 0.46 H new ATOM 0 HG22 THR A 80 -8.759 11.250 -2.430 1.00 0.46 H new ATOM 0 HG23 THR A 80 -9.784 11.771 -1.071 1.00 0.46 H new ATOM 1284 N ILE A 81 -7.920 7.139 -0.743 1.00 0.32 N ATOM 1285 CA ILE A 81 -7.434 5.904 -0.143 1.00 0.31 C ATOM 1286 C ILE A 81 -7.032 6.171 1.307 1.00 0.27 C ATOM 1287 O ILE A 81 -7.309 5.372 2.205 1.00 0.29 O ATOM 1288 CB ILE A 81 -6.230 5.320 -0.915 1.00 0.34 C ATOM 1289 CG1 ILE A 81 -6.426 5.484 -2.427 1.00 0.38 C ATOM 1290 CG2 ILE A 81 -6.050 3.846 -0.565 1.00 0.34 C ATOM 1291 CD1 ILE A 81 -7.593 4.700 -2.994 1.00 0.40 C ATOM 0 H ILE A 81 -7.399 7.453 -1.562 1.00 0.32 H new ATOM 0 HA ILE A 81 -8.240 5.171 -0.185 1.00 0.31 H new ATOM 0 HB ILE A 81 -5.333 5.867 -0.623 1.00 0.34 H new ATOM 0 HG12 ILE A 81 -6.571 6.541 -2.650 1.00 0.38 H new ATOM 0 HG13 ILE A 81 -5.513 5.173 -2.936 1.00 0.38 H new ATOM 0 HG21 ILE A 81 -5.199 3.443 -1.114 1.00 0.34 H new ATOM 0 HG22 ILE A 81 -5.872 3.745 0.506 1.00 0.34 H new ATOM 0 HG23 ILE A 81 -6.951 3.295 -0.836 1.00 0.34 H new ATOM 0 HD11 ILE A 81 -7.660 4.873 -4.068 1.00 0.40 H new ATOM 0 HD12 ILE A 81 -7.443 3.637 -2.806 1.00 0.40 H new ATOM 0 HD13 ILE A 81 -8.517 5.026 -2.516 1.00 0.40 H new ATOM 1303 N ALA A 82 -6.422 7.333 1.528 1.00 0.26 N ATOM 1304 CA ALA A 82 -5.990 7.743 2.857 1.00 0.25 C ATOM 1305 C ALA A 82 -7.174 7.908 3.807 1.00 0.24 C ATOM 1306 O ALA A 82 -7.173 7.360 4.909 1.00 0.26 O ATOM 1307 CB ALA A 82 -5.198 9.041 2.779 1.00 0.26 C ATOM 0 H ALA A 82 -6.215 8.011 0.795 1.00 0.26 H new ATOM 0 HA ALA A 82 -5.350 6.955 3.253 1.00 0.25 H new ATOM 0 HB1 ALA A 82 -4.882 9.335 3.780 1.00 0.26 H new ATOM 0 HB2 ALA A 82 -4.320 8.894 2.150 1.00 0.26 H new ATOM 0 HB3 ALA A 82 -5.824 9.824 2.352 1.00 0.26 H new ATOM 1313 N SER A 83 -8.189 8.650 3.374 1.00 0.26 N ATOM 1314 CA SER A 83 -9.348 8.918 4.219 1.00 0.28 C ATOM 1315 C SER A 83 -10.194 7.663 4.410 1.00 0.26 C ATOM 1316 O SER A 83 -10.891 7.521 5.415 1.00 0.27 O ATOM 1317 CB SER A 83 -10.193 10.056 3.645 1.00 0.34 C ATOM 1318 OG SER A 83 -10.514 9.827 2.285 1.00 1.16 O ATOM 0 H SER A 83 -8.233 9.075 2.448 1.00 0.26 H new ATOM 0 HA SER A 83 -8.979 9.227 5.197 1.00 0.28 H new ATOM 0 HB2 SER A 83 -11.110 10.158 4.225 1.00 0.34 H new ATOM 0 HB3 SER A 83 -9.651 10.997 3.739 1.00 0.34 H new ATOM 0 HG SER A 83 -10.222 8.928 2.027 1.00 1.16 H new ATOM 1324 N TYR A 84 -10.136 6.753 3.445 1.00 0.27 N ATOM 1325 CA TYR A 84 -10.831 5.477 3.561 1.00 0.29 C ATOM 1326 C TYR A 84 -10.278 4.686 4.741 1.00 0.27 C ATOM 1327 O TYR A 84 -11.031 4.182 5.570 1.00 0.29 O ATOM 1328 CB TYR A 84 -10.683 4.667 2.266 1.00 0.34 C ATOM 1329 CG TYR A 84 -11.259 3.269 2.349 1.00 0.46 C ATOM 1330 CD1 TYR A 84 -12.628 3.052 2.262 1.00 0.60 C ATOM 1331 CD2 TYR A 84 -10.429 2.167 2.522 1.00 0.56 C ATOM 1332 CE1 TYR A 84 -13.154 1.777 2.345 1.00 0.74 C ATOM 1333 CE2 TYR A 84 -10.947 0.890 2.607 1.00 0.71 C ATOM 1334 CZ TYR A 84 -12.308 0.701 2.518 1.00 0.78 C ATOM 1335 OH TYR A 84 -12.825 -0.570 2.607 1.00 0.95 O ATOM 0 H TYR A 84 -9.616 6.874 2.576 1.00 0.27 H new ATOM 0 HA TYR A 84 -11.890 5.671 3.730 1.00 0.29 H new ATOM 0 HB2 TYR A 84 -11.174 5.204 1.455 1.00 0.34 H new ATOM 0 HB3 TYR A 84 -9.626 4.599 2.010 1.00 0.34 H new ATOM 0 HD1 TYR A 84 -13.292 3.893 2.127 1.00 0.60 H new ATOM 0 HD2 TYR A 84 -9.361 2.312 2.591 1.00 0.56 H new ATOM 0 HE1 TYR A 84 -14.221 1.624 2.275 1.00 0.74 H new ATOM 0 HE2 TYR A 84 -10.289 0.045 2.742 1.00 0.71 H new ATOM 0 HH TYR A 84 -12.105 -1.225 2.489 1.00 0.95 H new ATOM 1345 N PHE A 85 -8.962 4.589 4.813 1.00 0.27 N ATOM 1346 CA PHE A 85 -8.308 3.911 5.923 1.00 0.27 C ATOM 1347 C PHE A 85 -8.484 4.689 7.219 1.00 0.28 C ATOM 1348 O PHE A 85 -8.702 4.102 8.278 1.00 0.31 O ATOM 1349 CB PHE A 85 -6.827 3.683 5.619 1.00 0.29 C ATOM 1350 CG PHE A 85 -6.604 2.515 4.701 1.00 0.27 C ATOM 1351 CD1 PHE A 85 -6.996 2.580 3.376 1.00 0.27 C ATOM 1352 CD2 PHE A 85 -5.975 1.367 5.151 1.00 0.36 C ATOM 1353 CE1 PHE A 85 -6.766 1.524 2.518 1.00 0.29 C ATOM 1354 CE2 PHE A 85 -5.747 0.304 4.300 1.00 0.37 C ATOM 1355 CZ PHE A 85 -6.245 0.328 3.028 1.00 0.29 C ATOM 0 H PHE A 85 -8.323 4.971 4.116 1.00 0.27 H new ATOM 0 HA PHE A 85 -8.782 2.938 6.052 1.00 0.27 H new ATOM 0 HB2 PHE A 85 -6.409 4.582 5.166 1.00 0.29 H new ATOM 0 HB3 PHE A 85 -6.289 3.516 6.552 1.00 0.29 H new ATOM 0 HD1 PHE A 85 -7.488 3.468 3.008 1.00 0.27 H new ATOM 0 HD2 PHE A 85 -5.658 1.302 6.181 1.00 0.36 H new ATOM 0 HE1 PHE A 85 -6.985 1.619 1.465 1.00 0.29 H new ATOM 0 HE2 PHE A 85 -5.175 -0.547 4.640 1.00 0.37 H new ATOM 0 HZ PHE A 85 -6.237 -0.566 2.422 1.00 0.29 H new ATOM 1365 N HIS A 86 -8.403 6.010 7.123 1.00 0.27 N ATOM 1366 CA HIS A 86 -8.530 6.875 8.288 1.00 0.29 C ATOM 1367 C HIS A 86 -9.921 6.755 8.914 1.00 0.31 C ATOM 1368 O HIS A 86 -10.052 6.674 10.134 1.00 0.36 O ATOM 1369 CB HIS A 86 -8.232 8.328 7.900 1.00 0.30 C ATOM 1370 CG HIS A 86 -8.222 9.277 9.060 1.00 0.46 C ATOM 1371 ND1 HIS A 86 -7.290 9.435 10.031 1.00 0.56 N flip ATOM 1372 CD2 HIS A 86 -9.240 10.175 9.265 1.00 0.74 C flip ATOM 1373 CE1 HIS A 86 -7.736 10.443 10.843 1.00 0.75 C flip ATOM 1374 NE2 HIS A 86 -8.910 10.857 10.348 1.00 0.85 N flip ATOM 0 H HIS A 86 -8.249 6.507 6.246 1.00 0.27 H new ATOM 0 HA HIS A 86 -7.803 6.556 9.034 1.00 0.29 H new ATOM 0 HB2 HIS A 86 -7.264 8.369 7.401 1.00 0.30 H new ATOM 0 HB3 HIS A 86 -8.977 8.661 7.177 1.00 0.30 H new ATOM 0 HD2 HIS A 86 -10.129 10.299 8.664 1.00 0.74 H new ATOM 0 HE1 HIS A 86 -7.236 10.831 11.718 1.00 0.75 H new ATOM 0 HE2 HIS A 86 -9.476 11.602 10.754 1.00 0.85 H new ATOM 1382 N SER A 87 -10.952 6.715 8.074 1.00 0.29 N ATOM 1383 CA SER A 87 -12.327 6.592 8.550 1.00 0.35 C ATOM 1384 C SER A 87 -12.568 5.221 9.181 1.00 0.41 C ATOM 1385 O SER A 87 -13.457 5.060 10.017 1.00 0.48 O ATOM 1386 CB SER A 87 -13.323 6.847 7.414 1.00 0.36 C ATOM 1387 OG SER A 87 -13.042 6.034 6.288 1.00 1.31 O ATOM 0 H SER A 87 -10.861 6.766 7.059 1.00 0.29 H new ATOM 0 HA SER A 87 -12.484 7.350 9.317 1.00 0.35 H new ATOM 0 HB2 SER A 87 -14.336 6.648 7.765 1.00 0.36 H new ATOM 0 HB3 SER A 87 -13.286 7.897 7.125 1.00 0.36 H new ATOM 0 HG SER A 87 -12.302 6.426 5.778 1.00 1.31 H new ATOM 1393 N ARG A 88 -11.777 4.231 8.773 1.00 0.40 N ATOM 1394 CA ARG A 88 -11.854 2.904 9.374 1.00 0.46 C ATOM 1395 C ARG A 88 -10.881 2.805 10.547 1.00 0.48 C ATOM 1396 O ARG A 88 -10.481 1.713 10.953 1.00 0.57 O ATOM 1397 CB ARG A 88 -11.570 1.812 8.338 1.00 0.49 C ATOM 1398 CG ARG A 88 -12.530 1.839 7.159 1.00 1.05 C ATOM 1399 CD ARG A 88 -12.370 0.615 6.269 1.00 1.21 C ATOM 1400 NE ARG A 88 -12.827 -0.611 6.929 1.00 1.92 N ATOM 1401 CZ ARG A 88 -12.904 -1.803 6.329 1.00 2.62 C ATOM 1402 NH1 ARG A 88 -12.585 -1.934 5.046 1.00 2.84 N ATOM 1403 NH2 ARG A 88 -13.329 -2.863 7.007 1.00 3.55 N ATOM 0 H ARG A 88 -11.080 4.322 8.034 1.00 0.40 H new ATOM 0 HA ARG A 88 -12.868 2.751 9.745 1.00 0.46 H new ATOM 0 HB2 ARG A 88 -10.550 1.926 7.970 1.00 0.49 H new ATOM 0 HB3 ARG A 88 -11.627 0.837 8.822 1.00 0.49 H new ATOM 0 HG2 ARG A 88 -13.555 1.889 7.526 1.00 1.05 H new ATOM 0 HG3 ARG A 88 -12.358 2.740 6.571 1.00 1.05 H new ATOM 0 HD2 ARG A 88 -12.933 0.761 5.347 1.00 1.21 H new ATOM 0 HD3 ARG A 88 -11.322 0.506 5.988 1.00 1.21 H new ATOM 0 HE ARG A 88 -13.104 -0.551 7.909 1.00 1.92 H new ATOM 0 HH11 ARG A 88 -12.279 -1.121 4.511 1.00 2.84 H new ATOM 0 HH12 ARG A 88 -12.647 -2.847 4.596 1.00 2.84 H new ATOM 0 HH21 ARG A 88 -13.597 -2.768 7.987 1.00 3.55 H new ATOM 0 HH22 ARG A 88 -13.387 -3.772 6.548 1.00 3.55 H new ATOM 1417 N ASN A 89 -10.504 3.976 11.061 1.00 0.45 N ATOM 1418 CA ASN A 89 -9.699 4.109 12.275 1.00 0.47 C ATOM 1419 C ASN A 89 -8.256 3.677 12.059 1.00 0.48 C ATOM 1420 O ASN A 89 -7.682 2.950 12.871 1.00 0.67 O ATOM 1421 CB ASN A 89 -10.322 3.338 13.445 1.00 0.55 C ATOM 1422 CG ASN A 89 -11.645 3.931 13.896 1.00 0.99 C ATOM 1423 OD1 ASN A 89 -11.781 5.244 13.786 1.00 1.45 O flip ATOM 1424 ND2 ASN A 89 -12.534 3.216 14.356 1.00 1.98 N flip ATOM 0 H ASN A 89 -10.753 4.871 10.640 1.00 0.45 H new ATOM 0 HA ASN A 89 -9.689 5.169 12.527 1.00 0.47 H new ATOM 0 HB2 ASN A 89 -10.475 2.300 13.151 1.00 0.55 H new ATOM 0 HB3 ASN A 89 -9.626 3.333 14.284 1.00 0.55 H new ATOM 0 HD21 ASN A 89 -12.393 2.208 14.425 1.00 1.98 H new ATOM 0 HD22 ASN A 89 -13.412 3.631 14.668 1.00 1.98 H new ATOM 1431 N TYR A 90 -7.667 4.131 10.964 1.00 0.39 N ATOM 1432 CA TYR A 90 -6.243 3.946 10.740 1.00 0.38 C ATOM 1433 C TYR A 90 -5.652 5.154 10.023 1.00 0.32 C ATOM 1434 O TYR A 90 -5.779 5.296 8.808 1.00 0.36 O ATOM 1435 CB TYR A 90 -5.958 2.672 9.942 1.00 0.41 C ATOM 1436 CG TYR A 90 -4.479 2.423 9.746 1.00 0.40 C ATOM 1437 CD1 TYR A 90 -3.693 1.939 10.784 1.00 0.45 C ATOM 1438 CD2 TYR A 90 -3.874 2.651 8.516 1.00 0.44 C ATOM 1439 CE1 TYR A 90 -2.346 1.692 10.601 1.00 0.49 C ATOM 1440 CE2 TYR A 90 -2.527 2.409 8.327 1.00 0.46 C ATOM 1441 CZ TYR A 90 -1.753 2.002 9.401 1.00 0.45 C ATOM 1442 OH TYR A 90 -0.427 1.683 9.188 1.00 0.52 O ATOM 0 H TYR A 90 -8.152 4.629 10.218 1.00 0.39 H new ATOM 0 HA TYR A 90 -5.770 3.844 11.717 1.00 0.38 H new ATOM 0 HB2 TYR A 90 -6.400 1.819 10.457 1.00 0.41 H new ATOM 0 HB3 TYR A 90 -6.442 2.743 8.968 1.00 0.41 H new ATOM 0 HD1 TYR A 90 -4.142 1.753 11.749 1.00 0.45 H new ATOM 0 HD2 TYR A 90 -4.467 3.024 7.694 1.00 0.44 H new ATOM 0 HE1 TYR A 90 -1.761 1.257 11.398 1.00 0.49 H new ATOM 0 HE2 TYR A 90 -2.082 2.536 7.351 1.00 0.46 H new ATOM 0 HH TYR A 90 0.072 2.495 8.960 1.00 0.52 H new ATOM 1452 N PRO A 91 -5.009 6.053 10.778 1.00 0.32 N ATOM 1453 CA PRO A 91 -4.360 7.229 10.215 1.00 0.33 C ATOM 1454 C PRO A 91 -3.019 6.890 9.562 1.00 0.33 C ATOM 1455 O PRO A 91 -2.124 6.337 10.204 1.00 0.37 O ATOM 1456 CB PRO A 91 -4.156 8.133 11.431 1.00 0.40 C ATOM 1457 CG PRO A 91 -4.037 7.199 12.584 1.00 0.44 C ATOM 1458 CD PRO A 91 -4.878 5.994 12.246 1.00 0.41 C ATOM 0 HA PRO A 91 -4.952 7.688 9.423 1.00 0.33 H new ATOM 0 HB2 PRO A 91 -3.260 8.745 11.323 1.00 0.40 H new ATOM 0 HB3 PRO A 91 -4.995 8.817 11.561 1.00 0.40 H new ATOM 0 HG2 PRO A 91 -2.998 6.914 12.747 1.00 0.44 H new ATOM 0 HG3 PRO A 91 -4.386 7.670 13.503 1.00 0.44 H new ATOM 0 HD2 PRO A 91 -4.399 5.069 12.567 1.00 0.41 H new ATOM 0 HD3 PRO A 91 -5.851 6.036 12.736 1.00 0.41 H new ATOM 1466 N LEU A 92 -2.895 7.213 8.284 1.00 0.33 N ATOM 1467 CA LEU A 92 -1.655 6.984 7.550 1.00 0.35 C ATOM 1468 C LEU A 92 -0.589 7.993 7.966 1.00 0.38 C ATOM 1469 O LEU A 92 -0.848 9.196 8.021 1.00 0.40 O ATOM 1470 CB LEU A 92 -1.909 7.086 6.043 1.00 0.36 C ATOM 1471 CG LEU A 92 -2.721 5.942 5.435 1.00 0.36 C ATOM 1472 CD1 LEU A 92 -3.012 6.213 3.968 1.00 0.37 C ATOM 1473 CD2 LEU A 92 -1.971 4.632 5.588 1.00 0.45 C ATOM 0 H LEU A 92 -3.639 7.636 7.730 1.00 0.33 H new ATOM 0 HA LEU A 92 -1.296 5.982 7.786 1.00 0.35 H new ATOM 0 HB2 LEU A 92 -2.427 8.024 5.842 1.00 0.36 H new ATOM 0 HB3 LEU A 92 -0.947 7.138 5.532 1.00 0.36 H new ATOM 0 HG LEU A 92 -3.670 5.870 5.966 1.00 0.36 H new ATOM 0 HD11 LEU A 92 -3.591 5.388 3.553 1.00 0.37 H new ATOM 0 HD12 LEU A 92 -3.581 7.138 3.875 1.00 0.37 H new ATOM 0 HD13 LEU A 92 -2.073 6.308 3.422 1.00 0.37 H new ATOM 0 HD21 LEU A 92 -2.558 3.824 5.152 1.00 0.45 H new ATOM 0 HD22 LEU A 92 -1.011 4.700 5.076 1.00 0.45 H new ATOM 0 HD23 LEU A 92 -1.805 4.429 6.646 1.00 0.45 H new ATOM 1485 N LYS A 93 0.609 7.498 8.265 1.00 0.41 N ATOM 1486 CA LYS A 93 1.716 8.367 8.657 1.00 0.46 C ATOM 1487 C LYS A 93 2.386 8.948 7.426 1.00 0.44 C ATOM 1488 O LYS A 93 2.939 10.048 7.463 1.00 0.47 O ATOM 1489 CB LYS A 93 2.763 7.600 9.459 1.00 0.54 C ATOM 1490 CG LYS A 93 2.234 6.934 10.711 1.00 0.73 C ATOM 1491 CD LYS A 93 3.351 6.213 11.442 1.00 0.75 C ATOM 1492 CE LYS A 93 2.822 5.373 12.590 1.00 1.45 C ATOM 1493 NZ LYS A 93 2.092 6.196 13.591 1.00 1.99 N ATOM 0 H LYS A 93 0.838 6.504 8.244 1.00 0.41 H new ATOM 0 HA LYS A 93 1.303 9.164 9.275 1.00 0.46 H new ATOM 0 HB2 LYS A 93 3.207 6.838 8.818 1.00 0.54 H new ATOM 0 HB3 LYS A 93 3.562 8.286 9.738 1.00 0.54 H new ATOM 0 HG2 LYS A 93 1.786 7.681 11.366 1.00 0.73 H new ATOM 0 HG3 LYS A 93 1.447 6.227 10.449 1.00 0.73 H new ATOM 0 HD2 LYS A 93 3.890 5.574 10.743 1.00 0.75 H new ATOM 0 HD3 LYS A 93 4.066 6.942 11.824 1.00 0.75 H new ATOM 0 HE2 LYS A 93 2.157 4.603 12.199 1.00 1.45 H new ATOM 0 HE3 LYS A 93 3.652 4.861 13.077 1.00 1.45 H new ATOM 0 HZ1 LYS A 93 1.865 5.612 14.421 1.00 1.99 H new ATOM 0 HZ2 LYS A 93 2.688 6.997 13.883 1.00 1.99 H new ATOM 0 HZ3 LYS A 93 1.212 6.555 13.170 1.00 1.99 H new ATOM 1507 N PHE A 94 2.334 8.189 6.342 1.00 0.42 N ATOM 1508 CA PHE A 94 2.956 8.586 5.085 1.00 0.43 C ATOM 1509 C PHE A 94 1.920 8.524 3.965 1.00 0.42 C ATOM 1510 O PHE A 94 2.095 7.803 2.988 1.00 0.45 O ATOM 1511 CB PHE A 94 4.125 7.650 4.743 1.00 0.49 C ATOM 1512 CG PHE A 94 4.674 6.876 5.914 1.00 0.44 C ATOM 1513 CD1 PHE A 94 3.958 5.815 6.449 1.00 0.53 C ATOM 1514 CD2 PHE A 94 5.902 7.192 6.466 1.00 0.46 C ATOM 1515 CE1 PHE A 94 4.455 5.088 7.510 1.00 0.62 C ATOM 1516 CE2 PHE A 94 6.404 6.468 7.533 1.00 0.49 C ATOM 1517 CZ PHE A 94 5.677 5.414 8.054 1.00 0.56 C ATOM 0 H PHE A 94 1.863 7.285 6.307 1.00 0.42 H new ATOM 0 HA PHE A 94 3.335 9.603 5.188 1.00 0.43 H new ATOM 0 HB2 PHE A 94 3.797 6.944 3.980 1.00 0.49 H new ATOM 0 HB3 PHE A 94 4.930 8.241 4.306 1.00 0.49 H new ATOM 0 HD1 PHE A 94 2.998 5.555 6.029 1.00 0.53 H new ATOM 0 HD2 PHE A 94 6.475 8.012 6.060 1.00 0.46 H new ATOM 0 HE1 PHE A 94 3.886 4.264 7.914 1.00 0.62 H new ATOM 0 HE2 PHE A 94 7.363 6.726 7.958 1.00 0.49 H new ATOM 0 HZ PHE A 94 6.067 4.847 8.886 1.00 0.56 H new ATOM 1527 N PRO A 95 0.818 9.273 4.092 1.00 0.47 N ATOM 1528 CA PRO A 95 -0.309 9.171 3.167 1.00 0.53 C ATOM 1529 C PRO A 95 -0.010 9.742 1.782 1.00 0.52 C ATOM 1530 O PRO A 95 -0.816 9.611 0.862 1.00 0.58 O ATOM 1531 CB PRO A 95 -1.404 9.951 3.883 1.00 0.63 C ATOM 1532 CG PRO A 95 -0.670 10.985 4.654 1.00 0.63 C ATOM 1533 CD PRO A 95 0.585 10.308 5.120 1.00 0.54 C ATOM 0 HA PRO A 95 -0.577 8.136 2.954 1.00 0.53 H new ATOM 0 HB2 PRO A 95 -2.100 10.401 3.175 1.00 0.63 H new ATOM 0 HB3 PRO A 95 -1.989 9.306 4.539 1.00 0.63 H new ATOM 0 HG2 PRO A 95 -0.443 11.852 4.034 1.00 0.63 H new ATOM 0 HG3 PRO A 95 -1.262 11.342 5.497 1.00 0.63 H new ATOM 0 HD2 PRO A 95 1.419 11.007 5.183 1.00 0.54 H new ATOM 0 HD3 PRO A 95 0.461 9.870 6.110 1.00 0.54 H new ATOM 1541 N GLN A 96 1.151 10.371 1.630 1.00 0.48 N ATOM 1542 CA GLN A 96 1.556 10.889 0.332 1.00 0.50 C ATOM 1543 C GLN A 96 2.280 9.795 -0.452 1.00 0.54 C ATOM 1544 O GLN A 96 2.829 10.033 -1.528 1.00 0.62 O ATOM 1545 CB GLN A 96 2.425 12.141 0.478 1.00 0.53 C ATOM 1546 CG GLN A 96 2.483 12.977 -0.794 1.00 1.09 C ATOM 1547 CD GLN A 96 3.182 14.305 -0.597 1.00 1.86 C ATOM 1548 OE1 GLN A 96 4.098 14.427 0.212 1.00 2.61 O ATOM 1549 NE2 GLN A 96 2.743 15.316 -1.330 1.00 2.52 N ATOM 0 H GLN A 96 1.821 10.532 2.382 1.00 0.48 H new ATOM 0 HA GLN A 96 0.665 11.186 -0.222 1.00 0.50 H new ATOM 0 HB2 GLN A 96 2.036 12.754 1.291 1.00 0.53 H new ATOM 0 HB3 GLN A 96 3.436 11.844 0.758 1.00 0.53 H new ATOM 0 HG2 GLN A 96 3.000 12.412 -1.570 1.00 1.09 H new ATOM 0 HG3 GLN A 96 1.469 13.156 -1.151 1.00 1.09 H new ATOM 0 HE21 GLN A 96 1.979 15.173 -1.991 1.00 2.52 H new ATOM 0 HE22 GLN A 96 3.168 16.238 -1.234 1.00 2.52 H new ATOM 1558 N LEU A 97 2.270 8.592 0.109 1.00 0.54 N ATOM 1559 CA LEU A 97 2.719 7.404 -0.597 1.00 0.67 C ATOM 1560 C LEU A 97 1.887 7.186 -1.851 1.00 0.73 C ATOM 1561 O LEU A 97 0.657 7.112 -1.778 1.00 1.41 O ATOM 1562 CB LEU A 97 2.591 6.170 0.303 1.00 0.84 C ATOM 1563 CG LEU A 97 3.758 5.925 1.256 1.00 1.07 C ATOM 1564 CD1 LEU A 97 3.398 4.854 2.274 1.00 1.56 C ATOM 1565 CD2 LEU A 97 4.985 5.507 0.473 1.00 1.50 C ATOM 0 H LEU A 97 1.952 8.415 1.062 1.00 0.54 H new ATOM 0 HA LEU A 97 3.763 7.549 -0.873 1.00 0.67 H new ATOM 0 HB2 LEU A 97 1.678 6.265 0.891 1.00 0.84 H new ATOM 0 HB3 LEU A 97 2.472 5.291 -0.331 1.00 0.84 H new ATOM 0 HG LEU A 97 3.974 6.851 1.789 1.00 1.07 H new ATOM 0 HD11 LEU A 97 4.241 4.692 2.945 1.00 1.56 H new ATOM 0 HD12 LEU A 97 2.532 5.177 2.851 1.00 1.56 H new ATOM 0 HD13 LEU A 97 3.163 3.924 1.756 1.00 1.56 H new ATOM 0 HD21 LEU A 97 5.813 5.334 1.160 1.00 1.50 H new ATOM 0 HD22 LEU A 97 4.771 4.590 -0.076 1.00 1.50 H new ATOM 0 HD23 LEU A 97 5.255 6.296 -0.229 1.00 1.50 H new ATOM 1577 N HIS A 98 2.552 7.120 -2.996 1.00 0.47 N ATOM 1578 CA HIS A 98 1.898 6.705 -4.226 1.00 0.43 C ATOM 1579 C HIS A 98 1.316 5.317 -4.035 1.00 0.49 C ATOM 1580 O HIS A 98 2.038 4.360 -3.741 1.00 0.89 O ATOM 1581 CB HIS A 98 2.877 6.728 -5.403 1.00 0.49 C ATOM 1582 CG HIS A 98 3.230 8.115 -5.848 1.00 0.44 C ATOM 1583 ND1 HIS A 98 3.936 8.967 -5.036 1.00 0.45 N ATOM 1584 CD2 HIS A 98 2.929 8.755 -7.006 1.00 0.56 C ATOM 1585 CE1 HIS A 98 4.046 10.099 -5.705 1.00 0.45 C ATOM 1586 NE2 HIS A 98 3.453 10.018 -6.904 1.00 0.51 N ATOM 0 H HIS A 98 3.541 7.348 -3.097 1.00 0.47 H new ATOM 0 HA HIS A 98 1.095 7.404 -4.458 1.00 0.43 H new ATOM 0 HB2 HIS A 98 3.788 6.201 -5.120 1.00 0.49 H new ATOM 0 HB3 HIS A 98 2.441 6.184 -6.241 1.00 0.49 H new ATOM 0 HD2 HIS A 98 2.383 8.349 -7.845 1.00 0.56 H new ATOM 0 HE1 HIS A 98 4.550 10.979 -5.333 1.00 0.45 H new ATOM 0 HE2 HIS A 98 3.401 10.755 -7.607 1.00 0.51 H new ATOM 1594 N CYS A 99 0.000 5.238 -4.165 1.00 0.34 N ATOM 1595 CA CYS A 99 -0.742 4.024 -3.867 1.00 0.36 C ATOM 1596 C CYS A 99 -0.203 2.831 -4.638 1.00 0.34 C ATOM 1597 O CYS A 99 0.172 2.947 -5.806 1.00 0.43 O ATOM 1598 CB CYS A 99 -2.209 4.225 -4.207 1.00 0.44 C ATOM 1599 SG CYS A 99 -2.939 5.696 -3.460 1.00 0.55 S ATOM 0 H CYS A 99 -0.583 6.014 -4.480 1.00 0.34 H new ATOM 0 HA CYS A 99 -0.628 3.817 -2.803 1.00 0.36 H new ATOM 0 HB2 CYS A 99 -2.315 4.289 -5.290 1.00 0.44 H new ATOM 0 HB3 CYS A 99 -2.770 3.349 -3.883 1.00 0.44 H new ATOM 0 HG CYS A 99 -3.340 5.417 -2.255 1.00 0.55 H new ATOM 1605 N LEU A 100 -0.176 1.688 -3.973 1.00 0.25 N ATOM 1606 CA LEU A 100 0.305 0.463 -4.579 1.00 0.24 C ATOM 1607 C LEU A 100 -0.631 0.035 -5.696 1.00 0.23 C ATOM 1608 O LEU A 100 -1.824 -0.144 -5.466 1.00 0.31 O ATOM 1609 CB LEU A 100 0.400 -0.642 -3.529 1.00 0.30 C ATOM 1610 CG LEU A 100 1.064 -1.927 -4.011 1.00 0.31 C ATOM 1611 CD1 LEU A 100 2.507 -1.647 -4.399 1.00 0.32 C ATOM 1612 CD2 LEU A 100 0.994 -3.005 -2.943 1.00 0.47 C ATOM 0 H LEU A 100 -0.485 1.586 -3.006 1.00 0.25 H new ATOM 0 HA LEU A 100 1.297 0.642 -4.994 1.00 0.24 H new ATOM 0 HB2 LEU A 100 0.956 -0.262 -2.672 1.00 0.30 H new ATOM 0 HB3 LEU A 100 -0.605 -0.878 -3.179 1.00 0.30 H new ATOM 0 HG LEU A 100 0.528 -2.291 -4.887 1.00 0.31 H new ATOM 0 HD11 LEU A 100 2.977 -2.569 -4.743 1.00 0.32 H new ATOM 0 HD12 LEU A 100 2.532 -0.907 -5.199 1.00 0.32 H new ATOM 0 HD13 LEU A 100 3.049 -1.264 -3.534 1.00 0.32 H new ATOM 0 HD21 LEU A 100 1.474 -3.912 -3.310 1.00 0.47 H new ATOM 0 HD22 LEU A 100 1.507 -2.661 -2.045 1.00 0.47 H new ATOM 0 HD23 LEU A 100 -0.049 -3.216 -2.707 1.00 0.47 H new ATOM 1624 N ASN A 101 -0.093 -0.117 -6.898 1.00 0.21 N ATOM 1625 CA ASN A 101 -0.897 -0.518 -8.040 1.00 0.22 C ATOM 1626 C ASN A 101 -0.791 -2.019 -8.246 1.00 0.22 C ATOM 1627 O ASN A 101 0.149 -2.521 -8.874 1.00 0.22 O ATOM 1628 CB ASN A 101 -0.467 0.228 -9.307 1.00 0.26 C ATOM 1629 CG ASN A 101 -1.380 -0.043 -10.491 1.00 0.30 C ATOM 1630 OD1 ASN A 101 -1.153 -0.965 -11.273 1.00 1.04 O ATOM 1631 ND2 ASN A 101 -2.420 0.767 -10.634 1.00 1.06 N ATOM 0 H ASN A 101 0.895 0.031 -7.106 1.00 0.21 H new ATOM 0 HA ASN A 101 -1.936 -0.259 -7.837 1.00 0.22 H new ATOM 0 HB2 ASN A 101 -0.451 1.299 -9.104 1.00 0.26 H new ATOM 0 HB3 ASN A 101 0.551 -0.062 -9.566 1.00 0.26 H new ATOM 0 HD21 ASN A 101 -3.065 0.636 -11.413 1.00 1.06 H new ATOM 0 HD22 ASN A 101 -2.575 1.521 -9.965 1.00 1.06 H new ATOM 1638 N VAL A 102 -1.739 -2.730 -7.666 1.00 0.25 N ATOM 1639 CA VAL A 102 -1.826 -4.166 -7.820 1.00 0.32 C ATOM 1640 C VAL A 102 -3.161 -4.539 -8.444 1.00 0.38 C ATOM 1641 O VAL A 102 -3.976 -3.663 -8.754 1.00 0.37 O ATOM 1642 CB VAL A 102 -1.643 -4.904 -6.474 1.00 0.35 C ATOM 1643 CG1 VAL A 102 -0.193 -4.855 -6.031 1.00 0.36 C ATOM 1644 CG2 VAL A 102 -2.532 -4.306 -5.398 1.00 0.32 C ATOM 0 H VAL A 102 -2.468 -2.328 -7.077 1.00 0.25 H new ATOM 0 HA VAL A 102 -1.015 -4.479 -8.477 1.00 0.32 H new ATOM 0 HB VAL A 102 -1.933 -5.944 -6.624 1.00 0.35 H new ATOM 0 HG11 VAL A 102 -0.085 -5.380 -5.082 1.00 0.36 H new ATOM 0 HG12 VAL A 102 0.434 -5.333 -6.784 1.00 0.36 H new ATOM 0 HG13 VAL A 102 0.115 -3.817 -5.909 1.00 0.36 H new ATOM 0 HG21 VAL A 102 -2.383 -4.844 -4.462 1.00 0.32 H new ATOM 0 HG22 VAL A 102 -2.277 -3.256 -5.257 1.00 0.32 H new ATOM 0 HG23 VAL A 102 -3.576 -4.388 -5.701 1.00 0.32 H new ATOM 1654 N GLY A 103 -3.387 -5.826 -8.628 1.00 0.50 N ATOM 1655 CA GLY A 103 -4.600 -6.268 -9.274 1.00 0.60 C ATOM 1656 C GLY A 103 -4.385 -6.477 -10.758 1.00 0.69 C ATOM 1657 O GLY A 103 -3.653 -7.380 -11.168 1.00 0.82 O ATOM 0 H GLY A 103 -2.753 -6.572 -8.342 1.00 0.50 H new ATOM 0 HA2 GLY A 103 -4.940 -7.198 -8.818 1.00 0.60 H new ATOM 0 HA3 GLY A 103 -5.388 -5.531 -9.118 1.00 0.60 H new ATOM 1661 N SER A 104 -5.025 -5.645 -11.562 1.00 0.69 N ATOM 1662 CA SER A 104 -4.820 -5.650 -13.002 1.00 0.79 C ATOM 1663 C SER A 104 -5.109 -4.265 -13.572 1.00 0.82 C ATOM 1664 O SER A 104 -5.455 -3.355 -12.824 1.00 0.75 O ATOM 1665 CB SER A 104 -5.707 -6.701 -13.669 1.00 0.95 C ATOM 1666 OG SER A 104 -5.413 -7.997 -13.179 1.00 1.63 O ATOM 0 H SER A 104 -5.698 -4.950 -11.238 1.00 0.69 H new ATOM 0 HA SER A 104 -3.780 -5.905 -13.207 1.00 0.79 H new ATOM 0 HB2 SER A 104 -6.756 -6.468 -13.484 1.00 0.95 H new ATOM 0 HB3 SER A 104 -5.560 -6.674 -14.749 1.00 0.95 H new ATOM 0 HG SER A 104 -4.674 -7.944 -12.538 1.00 1.63 H new ATOM 1672 N SER A 105 -4.976 -4.097 -14.879 1.00 0.99 N ATOM 1673 CA SER A 105 -5.249 -2.809 -15.503 1.00 1.12 C ATOM 1674 C SER A 105 -6.749 -2.500 -15.490 1.00 1.19 C ATOM 1675 O SER A 105 -7.160 -1.374 -15.218 1.00 1.31 O ATOM 1676 CB SER A 105 -4.715 -2.800 -16.936 1.00 1.36 C ATOM 1677 OG SER A 105 -3.380 -3.277 -16.974 1.00 1.63 O ATOM 0 H SER A 105 -4.683 -4.830 -15.525 1.00 0.99 H new ATOM 0 HA SER A 105 -4.741 -2.034 -14.929 1.00 1.12 H new ATOM 0 HB2 SER A 105 -5.347 -3.422 -17.569 1.00 1.36 H new ATOM 0 HB3 SER A 105 -4.757 -1.788 -17.339 1.00 1.36 H new ATOM 0 HG SER A 105 -3.055 -3.266 -17.898 1.00 1.63 H new ATOM 1683 N ILE A 106 -7.560 -3.519 -15.770 1.00 1.22 N ATOM 1684 CA ILE A 106 -9.013 -3.359 -15.806 1.00 1.35 C ATOM 1685 C ILE A 106 -9.592 -3.205 -14.400 1.00 1.21 C ATOM 1686 O ILE A 106 -10.593 -2.519 -14.201 1.00 1.38 O ATOM 1687 CB ILE A 106 -9.695 -4.545 -16.523 1.00 1.52 C ATOM 1688 CG1 ILE A 106 -9.246 -5.877 -15.911 1.00 1.94 C ATOM 1689 CG2 ILE A 106 -9.385 -4.503 -18.013 1.00 1.92 C ATOM 1690 CD1 ILE A 106 -9.878 -7.090 -16.556 1.00 2.18 C ATOM 0 H ILE A 106 -7.236 -4.464 -15.975 1.00 1.22 H new ATOM 0 HA ILE A 106 -9.216 -2.448 -16.369 1.00 1.35 H new ATOM 0 HB ILE A 106 -10.774 -4.461 -16.390 1.00 1.52 H new ATOM 0 HG12 ILE A 106 -8.162 -5.957 -15.994 1.00 1.94 H new ATOM 0 HG13 ILE A 106 -9.486 -5.876 -14.848 1.00 1.94 H new ATOM 0 HG21 ILE A 106 -9.870 -5.343 -18.509 1.00 1.92 H new ATOM 0 HG22 ILE A 106 -9.755 -3.569 -18.435 1.00 1.92 H new ATOM 0 HG23 ILE A 106 -8.307 -4.567 -18.162 1.00 1.92 H new ATOM 0 HD11 ILE A 106 -9.511 -7.994 -16.069 1.00 2.18 H new ATOM 0 HD12 ILE A 106 -10.961 -7.035 -16.450 1.00 2.18 H new ATOM 0 HD13 ILE A 106 -9.617 -7.117 -17.614 1.00 2.18 H new ATOM 1702 N LYS A 107 -8.959 -3.848 -13.431 1.00 0.98 N ATOM 1703 CA LYS A 107 -9.355 -3.707 -12.040 1.00 0.86 C ATOM 1704 C LYS A 107 -8.120 -3.447 -11.192 1.00 0.69 C ATOM 1705 O LYS A 107 -7.498 -4.373 -10.667 1.00 0.64 O ATOM 1706 CB LYS A 107 -10.103 -4.954 -11.545 1.00 0.93 C ATOM 1707 CG LYS A 107 -10.528 -4.874 -10.081 1.00 0.89 C ATOM 1708 CD LYS A 107 -11.470 -6.007 -9.698 1.00 1.01 C ATOM 1709 CE LYS A 107 -11.826 -5.960 -8.216 1.00 1.00 C ATOM 1710 NZ LYS A 107 -12.999 -6.820 -7.897 1.00 1.41 N ATOM 0 H LYS A 107 -8.168 -4.473 -13.584 1.00 0.98 H new ATOM 0 HA LYS A 107 -10.039 -2.863 -11.952 1.00 0.86 H new ATOM 0 HB2 LYS A 107 -10.988 -5.105 -12.163 1.00 0.93 H new ATOM 0 HB3 LYS A 107 -9.465 -5.827 -11.682 1.00 0.93 H new ATOM 0 HG2 LYS A 107 -9.644 -4.907 -9.444 1.00 0.89 H new ATOM 0 HG3 LYS A 107 -11.018 -3.918 -9.897 1.00 0.89 H new ATOM 0 HD2 LYS A 107 -12.380 -5.942 -10.294 1.00 1.01 H new ATOM 0 HD3 LYS A 107 -11.004 -6.964 -9.931 1.00 1.01 H new ATOM 0 HE2 LYS A 107 -10.968 -6.284 -7.627 1.00 1.00 H new ATOM 0 HE3 LYS A 107 -12.041 -4.931 -7.927 1.00 1.00 H new ATOM 0 HZ1 LYS A 107 -13.208 -6.759 -6.880 1.00 1.41 H new ATOM 0 HZ2 LYS A 107 -13.825 -6.496 -8.440 1.00 1.41 H new ATOM 0 HZ3 LYS A 107 -12.785 -7.806 -8.148 1.00 1.41 H new ATOM 1724 N SER A 108 -7.752 -2.185 -11.099 1.00 0.64 N ATOM 1725 CA SER A 108 -6.605 -1.786 -10.315 1.00 0.52 C ATOM 1726 C SER A 108 -7.021 -1.516 -8.879 1.00 0.44 C ATOM 1727 O SER A 108 -8.014 -0.829 -8.632 1.00 0.46 O ATOM 1728 CB SER A 108 -5.962 -0.540 -10.927 1.00 0.55 C ATOM 1729 OG SER A 108 -6.932 0.471 -11.146 1.00 1.25 O ATOM 0 H SER A 108 -8.236 -1.415 -11.561 1.00 0.64 H new ATOM 0 HA SER A 108 -5.874 -2.595 -10.318 1.00 0.52 H new ATOM 0 HB2 SER A 108 -5.182 -0.165 -10.264 1.00 0.55 H new ATOM 0 HB3 SER A 108 -5.481 -0.799 -11.870 1.00 0.55 H new ATOM 0 HG SER A 108 -6.500 1.260 -11.536 1.00 1.25 H new ATOM 1735 N ILE A 109 -6.269 -2.057 -7.942 1.00 0.37 N ATOM 1736 CA ILE A 109 -6.536 -1.826 -6.537 1.00 0.33 C ATOM 1737 C ILE A 109 -5.374 -1.083 -5.909 1.00 0.30 C ATOM 1738 O ILE A 109 -4.215 -1.474 -6.058 1.00 0.28 O ATOM 1739 CB ILE A 109 -6.805 -3.140 -5.768 1.00 0.34 C ATOM 1740 CG1 ILE A 109 -5.888 -4.256 -6.265 1.00 0.39 C ATOM 1741 CG2 ILE A 109 -8.264 -3.539 -5.901 1.00 0.37 C ATOM 1742 CD1 ILE A 109 -5.945 -5.514 -5.425 1.00 0.44 C ATOM 0 H ILE A 109 -5.468 -2.660 -8.128 1.00 0.37 H new ATOM 0 HA ILE A 109 -7.441 -1.222 -6.469 1.00 0.33 H new ATOM 0 HB ILE A 109 -6.589 -2.974 -4.713 1.00 0.34 H new ATOM 0 HG12 ILE A 109 -6.157 -4.504 -7.292 1.00 0.39 H new ATOM 0 HG13 ILE A 109 -4.862 -3.889 -6.284 1.00 0.39 H new ATOM 0 HG21 ILE A 109 -8.439 -4.466 -5.355 1.00 0.37 H new ATOM 0 HG22 ILE A 109 -8.896 -2.751 -5.491 1.00 0.37 H new ATOM 0 HG23 ILE A 109 -8.506 -3.687 -6.953 1.00 0.37 H new ATOM 0 HD11 ILE A 109 -5.267 -6.260 -5.840 1.00 0.44 H new ATOM 0 HD12 ILE A 109 -5.647 -5.282 -4.402 1.00 0.44 H new ATOM 0 HD13 ILE A 109 -6.962 -5.907 -5.427 1.00 0.44 H new ATOM 1754 N LEU A 110 -5.698 0.004 -5.236 1.00 0.30 N ATOM 1755 CA LEU A 110 -4.699 0.894 -4.675 1.00 0.29 C ATOM 1756 C LEU A 110 -4.599 0.688 -3.171 1.00 0.25 C ATOM 1757 O LEU A 110 -5.579 0.848 -2.452 1.00 0.26 O ATOM 1758 CB LEU A 110 -5.062 2.350 -4.990 1.00 0.35 C ATOM 1759 CG LEU A 110 -4.759 2.832 -6.419 1.00 0.45 C ATOM 1760 CD1 LEU A 110 -5.501 2.014 -7.465 1.00 0.96 C ATOM 1761 CD2 LEU A 110 -5.120 4.298 -6.563 1.00 1.32 C ATOM 0 H LEU A 110 -6.660 0.295 -5.063 1.00 0.30 H new ATOM 0 HA LEU A 110 -3.731 0.668 -5.122 1.00 0.29 H new ATOM 0 HB2 LEU A 110 -6.127 2.486 -4.801 1.00 0.35 H new ATOM 0 HB3 LEU A 110 -4.529 2.995 -4.291 1.00 0.35 H new ATOM 0 HG LEU A 110 -3.691 2.698 -6.588 1.00 0.45 H new ATOM 0 HD11 LEU A 110 -5.258 2.389 -8.459 1.00 0.96 H new ATOM 0 HD12 LEU A 110 -5.203 0.968 -7.388 1.00 0.96 H new ATOM 0 HD13 LEU A 110 -6.575 2.098 -7.298 1.00 0.96 H new ATOM 0 HD21 LEU A 110 -4.901 4.629 -7.578 1.00 1.32 H new ATOM 0 HD22 LEU A 110 -6.182 4.433 -6.358 1.00 1.32 H new ATOM 0 HD23 LEU A 110 -4.536 4.888 -5.856 1.00 1.32 H new ATOM 1773 N LEU A 111 -3.412 0.346 -2.697 1.00 0.23 N ATOM 1774 CA LEU A 111 -3.232 0.008 -1.291 1.00 0.23 C ATOM 1775 C LEU A 111 -2.059 0.768 -0.684 1.00 0.24 C ATOM 1776 O LEU A 111 -1.070 1.045 -1.363 1.00 0.22 O ATOM 1777 CB LEU A 111 -2.997 -1.500 -1.145 1.00 0.22 C ATOM 1778 CG LEU A 111 -4.158 -2.394 -1.588 1.00 0.23 C ATOM 1779 CD1 LEU A 111 -3.754 -3.862 -1.537 1.00 0.23 C ATOM 1780 CD2 LEU A 111 -5.384 -2.153 -0.717 1.00 0.28 C ATOM 0 H LEU A 111 -2.563 0.295 -3.259 1.00 0.23 H new ATOM 0 HA LEU A 111 -4.138 0.295 -0.757 1.00 0.23 H new ATOM 0 HB2 LEU A 111 -2.113 -1.770 -1.722 1.00 0.22 H new ATOM 0 HB3 LEU A 111 -2.773 -1.716 -0.100 1.00 0.22 H new ATOM 0 HG LEU A 111 -4.410 -2.139 -2.618 1.00 0.23 H new ATOM 0 HD11 LEU A 111 -4.592 -4.481 -1.855 1.00 0.23 H new ATOM 0 HD12 LEU A 111 -2.906 -4.029 -2.201 1.00 0.23 H new ATOM 0 HD13 LEU A 111 -3.474 -4.127 -0.518 1.00 0.23 H new ATOM 0 HD21 LEU A 111 -6.198 -2.798 -1.048 1.00 0.28 H new ATOM 0 HD22 LEU A 111 -5.142 -2.378 0.322 1.00 0.28 H new ATOM 0 HD23 LEU A 111 -5.690 -1.110 -0.800 1.00 0.28 H new ATOM 1792 N PRO A 112 -2.178 1.153 0.598 1.00 0.29 N ATOM 1793 CA PRO A 112 -1.053 1.666 1.384 1.00 0.32 C ATOM 1794 C PRO A 112 0.083 0.664 1.425 1.00 0.28 C ATOM 1795 O PRO A 112 -0.012 -0.366 2.096 1.00 0.29 O ATOM 1796 CB PRO A 112 -1.644 1.847 2.784 1.00 0.41 C ATOM 1797 CG PRO A 112 -3.100 2.030 2.546 1.00 0.36 C ATOM 1798 CD PRO A 112 -3.427 1.143 1.378 1.00 0.36 C ATOM 0 HA PRO A 112 -0.638 2.584 0.967 1.00 0.32 H new ATOM 0 HB2 PRO A 112 -1.450 0.979 3.413 1.00 0.41 H new ATOM 0 HB3 PRO A 112 -1.212 2.710 3.290 1.00 0.41 H new ATOM 0 HG2 PRO A 112 -3.680 1.751 3.426 1.00 0.36 H new ATOM 0 HG3 PRO A 112 -3.335 3.072 2.326 1.00 0.36 H new ATOM 0 HD2 PRO A 112 -3.696 0.136 1.698 1.00 0.36 H new ATOM 0 HD3 PRO A 112 -4.267 1.529 0.800 1.00 0.36 H new ATOM 1806 N ILE A 113 1.149 0.956 0.693 1.00 0.27 N ATOM 1807 CA ILE A 113 2.334 0.114 0.707 1.00 0.28 C ATOM 1808 C ILE A 113 2.931 0.100 2.118 1.00 0.26 C ATOM 1809 O ILE A 113 3.680 -0.801 2.486 1.00 0.29 O ATOM 1810 CB ILE A 113 3.370 0.559 -0.351 1.00 0.35 C ATOM 1811 CG1 ILE A 113 4.413 -0.537 -0.567 1.00 0.47 C ATOM 1812 CG2 ILE A 113 4.036 1.869 0.050 1.00 0.36 C ATOM 1813 CD1 ILE A 113 5.202 -0.375 -1.845 1.00 0.69 C ATOM 0 H ILE A 113 1.216 1.770 0.082 1.00 0.27 H new ATOM 0 HA ILE A 113 2.044 -0.902 0.438 1.00 0.28 H new ATOM 0 HB ILE A 113 2.845 0.728 -1.291 1.00 0.35 H new ATOM 0 HG12 ILE A 113 5.102 -0.543 0.278 1.00 0.47 H new ATOM 0 HG13 ILE A 113 3.913 -1.506 -0.578 1.00 0.47 H new ATOM 0 HG21 ILE A 113 4.760 2.158 -0.712 1.00 0.36 H new ATOM 0 HG22 ILE A 113 3.279 2.648 0.145 1.00 0.36 H new ATOM 0 HG23 ILE A 113 4.546 1.740 1.004 1.00 0.36 H new ATOM 0 HD11 ILE A 113 5.923 -1.188 -1.933 1.00 0.69 H new ATOM 0 HD12 ILE A 113 4.523 -0.399 -2.697 1.00 0.69 H new ATOM 0 HD13 ILE A 113 5.730 0.578 -1.828 1.00 0.69 H new ATOM 1825 N GLU A 114 2.575 1.123 2.889 1.00 0.27 N ATOM 1826 CA GLU A 114 2.843 1.174 4.324 1.00 0.34 C ATOM 1827 C GLU A 114 2.342 -0.102 5.028 1.00 0.33 C ATOM 1828 O GLU A 114 2.963 -0.590 5.974 1.00 0.42 O ATOM 1829 CB GLU A 114 2.163 2.428 4.902 1.00 0.38 C ATOM 1830 CG GLU A 114 2.035 2.440 6.416 1.00 0.45 C ATOM 1831 CD GLU A 114 1.358 3.695 6.953 1.00 1.16 C ATOM 1832 OE1 GLU A 114 1.190 4.664 6.175 1.00 1.77 O ATOM 1833 OE2 GLU A 114 0.987 3.716 8.144 1.00 1.74 O ATOM 0 H GLU A 114 2.089 1.946 2.534 1.00 0.27 H new ATOM 0 HA GLU A 114 3.918 1.229 4.494 1.00 0.34 H new ATOM 0 HB2 GLU A 114 2.728 3.307 4.592 1.00 0.38 H new ATOM 0 HB3 GLU A 114 1.168 2.519 4.466 1.00 0.38 H new ATOM 0 HG2 GLU A 114 1.467 1.565 6.733 1.00 0.45 H new ATOM 0 HG3 GLU A 114 3.027 2.353 6.858 1.00 0.45 H new ATOM 1840 N LEU A 115 1.236 -0.653 4.534 1.00 0.27 N ATOM 1841 CA LEU A 115 0.631 -1.854 5.113 1.00 0.31 C ATOM 1842 C LEU A 115 0.948 -3.082 4.275 1.00 0.26 C ATOM 1843 O LEU A 115 0.416 -4.167 4.515 1.00 0.30 O ATOM 1844 CB LEU A 115 -0.885 -1.679 5.213 1.00 0.44 C ATOM 1845 CG LEU A 115 -1.350 -0.552 6.131 1.00 0.50 C ATOM 1846 CD1 LEU A 115 -2.809 -0.232 5.874 1.00 0.95 C ATOM 1847 CD2 LEU A 115 -1.147 -0.942 7.584 1.00 0.80 C ATOM 0 H LEU A 115 0.735 -0.284 3.726 1.00 0.27 H new ATOM 0 HA LEU A 115 1.049 -1.997 6.109 1.00 0.31 H new ATOM 0 HB2 LEU A 115 -1.280 -1.498 4.213 1.00 0.44 H new ATOM 0 HB3 LEU A 115 -1.320 -2.615 5.564 1.00 0.44 H new ATOM 0 HG LEU A 115 -0.756 0.337 5.920 1.00 0.50 H new ATOM 0 HD11 LEU A 115 -3.127 0.574 6.536 1.00 0.95 H new ATOM 0 HD12 LEU A 115 -2.936 0.079 4.837 1.00 0.95 H new ATOM 0 HD13 LEU A 115 -3.415 -1.118 6.064 1.00 0.95 H new ATOM 0 HD21 LEU A 115 -1.482 -0.130 8.229 1.00 0.80 H new ATOM 0 HD22 LEU A 115 -1.723 -1.841 7.803 1.00 0.80 H new ATOM 0 HD23 LEU A 115 -0.090 -1.135 7.764 1.00 0.80 H new ATOM 1859 N CYS A 116 1.807 -2.908 3.289 1.00 0.23 N ATOM 1860 CA CYS A 116 2.253 -4.021 2.480 1.00 0.24 C ATOM 1861 C CYS A 116 3.602 -4.485 2.990 1.00 0.24 C ATOM 1862 O CYS A 116 4.321 -3.724 3.640 1.00 0.37 O ATOM 1863 CB CYS A 116 2.340 -3.621 1.011 1.00 0.25 C ATOM 1864 SG CYS A 116 0.833 -2.840 0.386 1.00 0.28 S ATOM 0 H CYS A 116 2.208 -2.007 3.031 1.00 0.23 H new ATOM 0 HA CYS A 116 1.534 -4.837 2.556 1.00 0.24 H new ATOM 0 HB2 CYS A 116 3.177 -2.936 0.878 1.00 0.25 H new ATOM 0 HB3 CYS A 116 2.555 -4.507 0.413 1.00 0.25 H new ATOM 0 HG CYS A 116 0.541 -1.809 1.122 1.00 0.28 H new ATOM 1870 N SER A 117 3.939 -5.724 2.720 1.00 0.22 N ATOM 1871 CA SER A 117 5.152 -6.294 3.253 1.00 0.25 C ATOM 1872 C SER A 117 5.737 -7.325 2.290 1.00 0.27 C ATOM 1873 O SER A 117 5.025 -8.154 1.737 1.00 0.35 O ATOM 1874 CB SER A 117 4.824 -6.875 4.628 1.00 0.27 C ATOM 1875 OG SER A 117 5.739 -7.867 5.036 1.00 0.34 O ATOM 0 H SER A 117 3.391 -6.355 2.135 1.00 0.22 H new ATOM 0 HA SER A 117 5.926 -5.535 3.368 1.00 0.25 H new ATOM 0 HB2 SER A 117 4.815 -6.071 5.364 1.00 0.27 H new ATOM 0 HB3 SER A 117 3.820 -7.300 4.608 1.00 0.27 H new ATOM 0 HG SER A 117 5.512 -8.169 5.940 1.00 0.34 H new ATOM 1881 N ILE A 118 7.039 -7.243 2.088 1.00 0.23 N ATOM 1882 CA ILE A 118 7.734 -8.028 1.081 1.00 0.22 C ATOM 1883 C ILE A 118 7.931 -9.472 1.523 1.00 0.24 C ATOM 1884 O ILE A 118 8.396 -9.739 2.632 1.00 0.28 O ATOM 1885 CB ILE A 118 9.101 -7.385 0.759 1.00 0.24 C ATOM 1886 CG1 ILE A 118 8.879 -6.003 0.146 1.00 0.41 C ATOM 1887 CG2 ILE A 118 9.937 -8.263 -0.161 1.00 0.25 C ATOM 1888 CD1 ILE A 118 10.101 -5.424 -0.529 1.00 0.50 C ATOM 0 H ILE A 118 7.650 -6.625 2.622 1.00 0.23 H new ATOM 0 HA ILE A 118 7.113 -8.037 0.185 1.00 0.22 H new ATOM 0 HB ILE A 118 9.662 -7.282 1.688 1.00 0.24 H new ATOM 0 HG12 ILE A 118 8.070 -6.066 -0.582 1.00 0.41 H new ATOM 0 HG13 ILE A 118 8.551 -5.319 0.928 1.00 0.41 H new ATOM 0 HG21 ILE A 118 10.890 -7.775 -0.363 1.00 0.25 H new ATOM 0 HG22 ILE A 118 10.117 -9.225 0.319 1.00 0.25 H new ATOM 0 HG23 ILE A 118 9.404 -8.419 -1.099 1.00 0.25 H new ATOM 0 HD11 ILE A 118 9.860 -4.443 -0.938 1.00 0.50 H new ATOM 0 HD12 ILE A 118 10.907 -5.326 0.199 1.00 0.50 H new ATOM 0 HD13 ILE A 118 10.419 -6.085 -1.335 1.00 0.50 H new ATOM 1900 N GLU A 119 7.566 -10.395 0.646 1.00 0.35 N ATOM 1901 CA GLU A 119 7.742 -11.812 0.907 1.00 0.49 C ATOM 1902 C GLU A 119 9.200 -12.207 0.684 1.00 0.52 C ATOM 1903 O GLU A 119 9.851 -11.733 -0.253 1.00 0.63 O ATOM 1904 CB GLU A 119 6.821 -12.632 -0.003 1.00 0.72 C ATOM 1905 CG GLU A 119 6.863 -14.129 0.265 1.00 1.01 C ATOM 1906 CD GLU A 119 5.949 -14.914 -0.656 1.00 1.60 C ATOM 1907 OE1 GLU A 119 6.328 -15.139 -1.825 1.00 2.30 O ATOM 1908 OE2 GLU A 119 4.850 -15.311 -0.214 1.00 1.77 O ATOM 0 H GLU A 119 7.143 -10.184 -0.258 1.00 0.35 H new ATOM 0 HA GLU A 119 7.479 -12.018 1.945 1.00 0.49 H new ATOM 0 HB2 GLU A 119 5.797 -12.279 0.120 1.00 0.72 H new ATOM 0 HB3 GLU A 119 7.098 -12.451 -1.042 1.00 0.72 H new ATOM 0 HG2 GLU A 119 7.886 -14.487 0.146 1.00 1.01 H new ATOM 0 HG3 GLU A 119 6.578 -14.317 1.300 1.00 1.01 H new ATOM 1915 N GLU A 120 9.694 -13.082 1.559 1.00 0.67 N ATOM 1916 CA GLU A 120 11.085 -13.536 1.541 1.00 0.86 C ATOM 1917 C GLU A 120 11.468 -14.201 0.221 1.00 1.01 C ATOM 1918 O GLU A 120 12.646 -14.436 -0.036 1.00 1.25 O ATOM 1919 CB GLU A 120 11.316 -14.536 2.672 1.00 1.16 C ATOM 1920 CG GLU A 120 10.384 -15.733 2.599 1.00 1.77 C ATOM 1921 CD GLU A 120 10.853 -16.892 3.442 1.00 2.40 C ATOM 1922 OE1 GLU A 120 10.793 -16.789 4.684 1.00 2.64 O ATOM 1923 OE2 GLU A 120 11.279 -17.912 2.873 1.00 2.91 O ATOM 0 H GLU A 120 9.137 -13.499 2.305 1.00 0.67 H new ATOM 0 HA GLU A 120 11.708 -12.650 1.668 1.00 0.86 H new ATOM 0 HB2 GLU A 120 12.349 -14.883 2.639 1.00 1.16 H new ATOM 0 HB3 GLU A 120 11.179 -14.033 3.629 1.00 1.16 H new ATOM 0 HG2 GLU A 120 9.388 -15.433 2.925 1.00 1.77 H new ATOM 0 HG3 GLU A 120 10.296 -16.056 1.562 1.00 1.77 H new ATOM 1930 N GLY A 121 10.473 -14.523 -0.599 1.00 1.21 N ATOM 1931 CA GLY A 121 10.735 -15.187 -1.861 1.00 1.69 C ATOM 1932 C GLY A 121 11.722 -14.425 -2.718 1.00 1.92 C ATOM 1933 O GLY A 121 12.735 -14.978 -3.152 1.00 2.32 O ATOM 0 H GLY A 121 9.488 -14.335 -0.411 1.00 1.21 H new ATOM 0 HA2 GLY A 121 11.121 -16.188 -1.669 1.00 1.69 H new ATOM 0 HA3 GLY A 121 9.799 -15.306 -2.407 1.00 1.69 H new ATOM 1937 N GLN A 122 11.439 -13.150 -2.946 1.00 1.94 N ATOM 1938 CA GLN A 122 12.304 -12.316 -3.771 1.00 2.41 C ATOM 1939 C GLN A 122 13.372 -11.619 -2.932 1.00 2.41 C ATOM 1940 O GLN A 122 14.359 -11.111 -3.468 1.00 2.96 O ATOM 1941 CB GLN A 122 11.476 -11.279 -4.535 1.00 2.81 C ATOM 1942 CG GLN A 122 10.352 -11.889 -5.356 1.00 3.49 C ATOM 1943 CD GLN A 122 9.635 -10.878 -6.231 1.00 4.14 C ATOM 1944 OE1 GLN A 122 8.437 -10.996 -6.478 1.00 4.71 O ATOM 1945 NE2 GLN A 122 10.361 -9.890 -6.727 1.00 4.49 N ATOM 0 H GLN A 122 10.620 -12.671 -2.573 1.00 1.94 H new ATOM 0 HA GLN A 122 12.808 -12.967 -4.486 1.00 2.41 H new ATOM 0 HB2 GLN A 122 11.053 -10.568 -3.825 1.00 2.81 H new ATOM 0 HB3 GLN A 122 12.134 -10.715 -5.196 1.00 2.81 H new ATOM 0 HG2 GLN A 122 10.759 -12.681 -5.985 1.00 3.49 H new ATOM 0 HG3 GLN A 122 9.631 -12.354 -4.684 1.00 3.49 H new ATOM 0 HE21 GLN A 122 11.353 -9.823 -6.501 1.00 4.49 H new ATOM 0 HE22 GLN A 122 9.929 -9.195 -7.336 1.00 4.49 H new ATOM 1954 N ALA A 123 13.182 -11.609 -1.623 1.00 2.13 N ATOM 1955 CA ALA A 123 14.088 -10.908 -0.721 1.00 2.55 C ATOM 1956 C ALA A 123 14.711 -11.865 0.290 1.00 2.98 C ATOM 1957 O ALA A 123 15.834 -12.350 0.035 1.00 3.61 O ATOM 1958 CB ALA A 123 13.355 -9.780 -0.010 1.00 3.05 C ATOM 1959 OXT ALA A 123 14.082 -12.128 1.330 1.00 3.25 O ATOM 0 H ALA A 123 12.406 -12.080 -1.157 1.00 2.13 H new ATOM 0 HA ALA A 123 14.896 -10.481 -1.316 1.00 2.55 H new ATOM 0 HB1 ALA A 123 14.043 -9.265 0.660 1.00 3.05 H new ATOM 0 HB2 ALA A 123 12.970 -9.075 -0.747 1.00 3.05 H new ATOM 0 HB3 ALA A 123 12.526 -10.191 0.566 1.00 3.05 H new TER 1965 ALA A 123 ATOM 1966 P DA B 204 -8.366 -6.056 0.690 1.00 0.77 P ATOM 1967 OP1 DA B 204 -7.025 -6.365 0.128 1.00 1.08 O ATOM 1968 OP2 DA B 204 -8.488 -5.645 2.113 1.00 1.05 O ATOM 1969 O5' DA B 204 -9.059 -4.943 -0.216 1.00 0.97 O ATOM 1970 C5' DA B 204 -8.355 -4.297 -1.281 1.00 0.56 C ATOM 1971 C4' DA B 204 -9.039 -4.543 -2.605 1.00 0.56 C ATOM 1972 O4' DA B 204 -8.478 -5.735 -3.188 1.00 0.57 O ATOM 1973 C3' DA B 204 -10.548 -4.788 -2.529 1.00 0.57 C ATOM 1974 O3' DA B 204 -11.254 -3.648 -3.030 1.00 0.69 O ATOM 1975 C2' DA B 204 -10.800 -5.988 -3.432 1.00 0.60 C ATOM 1976 C1' DA B 204 -9.443 -6.338 -4.027 1.00 0.58 C ATOM 1977 N9 DA B 204 -9.158 -7.771 -4.078 1.00 0.64 N ATOM 1978 C8 DA B 204 -9.373 -8.701 -3.093 1.00 0.70 C ATOM 1979 N7 DA B 204 -9.044 -9.923 -3.434 1.00 0.79 N ATOM 1980 C5 DA B 204 -8.576 -9.789 -4.733 1.00 0.79 C ATOM 1981 C6 DA B 204 -8.074 -10.723 -5.656 1.00 0.90 C ATOM 1982 N6 DA B 204 -7.966 -12.030 -5.402 1.00 1.01 N ATOM 1983 N1 DA B 204 -7.691 -10.264 -6.866 1.00 0.91 N ATOM 1984 C2 DA B 204 -7.812 -8.955 -7.123 1.00 0.83 C ATOM 1985 N3 DA B 204 -8.271 -7.980 -6.339 1.00 0.72 N ATOM 1986 C4 DA B 204 -8.641 -8.470 -5.144 1.00 0.70 C ATOM 0 H5' DA B 204 -7.330 -4.667 -1.322 1.00 0.56 H new ATOM 0 H5'' DA B 204 -8.300 -3.225 -1.089 1.00 0.56 H new ATOM 0 H4' DA B 204 -8.880 -3.632 -3.181 1.00 0.56 H new ATOM 0 H3' DA B 204 -10.885 -4.961 -1.507 1.00 0.57 H new ATOM 0 H2' DA B 204 -11.209 -6.826 -2.867 1.00 0.60 H new ATOM 0 H2'' DA B 204 -11.521 -5.747 -4.213 1.00 0.60 H new ATOM 0 H1' DA B 204 -9.428 -5.986 -5.059 1.00 0.58 H new ATOM 0 H8 DA B 204 -9.777 -8.449 -2.124 1.00 0.70 H new ATOM 0 H61 DA B 204 -7.593 -12.659 -6.114 1.00 1.01 H new ATOM 0 H62 DA B 204 -8.256 -12.399 -4.497 1.00 1.01 H new ATOM 0 H2 DA B 204 -7.492 -8.645 -8.107 1.00 0.83 H new ATOM 1998 P DC B 205 -12.266 -2.857 -2.062 1.00 0.79 P ATOM 1999 OP1 DC B 205 -13.163 -3.851 -1.416 1.00 0.86 O ATOM 2000 OP2 DC B 205 -12.863 -1.749 -2.851 1.00 1.03 O ATOM 2001 O5' DC B 205 -11.319 -2.234 -0.941 1.00 0.91 O ATOM 2002 C5' DC B 205 -10.921 -0.860 -0.966 1.00 0.74 C ATOM 2003 C4' DC B 205 -9.416 -0.752 -1.044 1.00 0.52 C ATOM 2004 O4' DC B 205 -8.990 -1.064 -2.391 1.00 0.55 O ATOM 2005 C3' DC B 205 -8.851 0.637 -0.765 1.00 0.41 C ATOM 2006 O3' DC B 205 -7.510 0.555 -0.280 1.00 0.51 O ATOM 2007 C2' DC B 205 -8.887 1.292 -2.133 1.00 0.47 C ATOM 2008 C1' DC B 205 -8.626 0.127 -3.081 1.00 0.49 C ATOM 2009 N1 DC B 205 -9.396 0.184 -4.336 1.00 0.55 N ATOM 2010 C2 DC B 205 -9.022 1.095 -5.330 1.00 0.65 C ATOM 2011 O2 DC B 205 -8.044 1.830 -5.135 1.00 0.78 O ATOM 2012 N3 DC B 205 -9.735 1.151 -6.479 1.00 0.73 N ATOM 2013 C4 DC B 205 -10.779 0.339 -6.659 1.00 0.77 C ATOM 2014 N4 DC B 205 -11.453 0.427 -7.809 1.00 0.91 N ATOM 2015 C5 DC B 205 -11.182 -0.598 -5.664 1.00 0.82 C ATOM 2016 C6 DC B 205 -10.466 -0.641 -4.531 1.00 0.69 C ATOM 0 H5' DC B 205 -11.283 -0.353 -0.072 1.00 0.74 H new ATOM 0 H5'' DC B 205 -11.373 -0.359 -1.822 1.00 0.74 H new ATOM 0 H4' DC B 205 -9.052 -1.437 -0.279 1.00 0.52 H new ATOM 0 H3' DC B 205 -9.407 1.185 -0.004 1.00 0.41 H new ATOM 0 H2' DC B 205 -9.850 1.763 -2.329 1.00 0.47 H new ATOM 0 H2'' DC B 205 -8.127 2.068 -2.229 1.00 0.47 H new ATOM 0 HO3' DC B 205 -6.885 0.671 -1.026 1.00 0.51 H new ATOM 0 H1' DC B 205 -7.574 0.164 -3.363 1.00 0.49 H new ATOM 0 H41 DC B 205 -12.256 -0.179 -7.977 1.00 0.91 H new ATOM 0 H42 DC B 205 -11.165 1.101 -8.519 1.00 0.91 H new ATOM 0 H5 DC B 205 -12.031 -1.248 -5.816 1.00 0.82 H new ATOM 0 H6 DC B 205 -10.741 -1.342 -3.757 1.00 0.69 H new TER 2029 DC B 205