USER MOD reduce.3.24.130724 H: found=0, std=0, add=730, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 728 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: C 77 ASN :FLIP amide:sc= -1.29 F(o=-14!,f=-5.4) USER MOD Set 1.2: C 80 ASN : amide:sc= -4.08! C(o=-5.4!,f=-11!) USER MOD Set 2.1: C 26 LYS NZ :NH3+ 136:sc= 0.928 (180deg=0.0742) USER MOD Set 2.2: C 42 ASN : amide:sc= -0.0591 K(o=0.87,f=-3.6!) USER MOD Set 3.1: C 21 ASN : amide:sc= -0.972 K(o=-0.97,f=-2.2!) USER MOD Set 3.2: C 28 SER OG : rot 180:sc= 0 USER MOD Set 4.1: C 19 LYS NZ :NH3+ 163:sc= 1.17 (180deg=0) USER MOD Set 4.2: C 93 GLN : amide:sc= -0.639 K(o=0.53,f=-8.6!) USER MOD Single : C 1 ASP N :NH3+ 144:sc= 0.187 (180deg=-0.0167) USER MOD Single : C 2 ASN :FLIP amide:sc=-0.00404 F(o=-1.2,f=-0.004) USER MOD Single : C 3 GLN : amide:sc= -1.73! X(o=-1.7!,f=-1.5) USER MOD Single : C 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 9 GLN : amide:sc= -0.717 K(o=-0.72,f=-1.6) USER MOD Single : C 10 MET CE :methyl 139:sc=-0.00365 (180deg=-2.21) USER MOD Single : C 11 ASN : amide:sc= 0 X(o=0,f=-0.0027) USER MOD Single : C 12 SER OG : rot 180:sc= 0.00326 USER MOD Single : C 14 ASN : amide:sc= -0.806 K(o=-0.81,f=-3.6!) USER MOD Single : C 15 SER OG : rot 81:sc= 0.668 USER MOD Single : C 17 ASN : amide:sc= 0.539 K(o=0.54,f=-0.026) USER MOD Single : C 22 LYS NZ :NH3+ -145:sc= -4.43! (180deg=-7.89!) USER MOD Single : C 24 LYS NZ :NH3+ 170:sc=-0.00828 (180deg=-0.148) USER MOD Single : C 30 SER OG : rot 180:sc= -0.0389 USER MOD Single : C 31 MET CE :methyl 162:sc= -1.28 (180deg=-2.41) USER MOD Single : C 32 ASN : amide:sc= 0 X(o=0,f=-0.012) USER MOD Single : C 34 ASN : amide:sc= -0.67! X(o=-0.67!,f=-0.48) USER MOD Single : C 35 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : C 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 39 THR OG1 : rot 80:sc= -0.577 USER MOD Single : C 40 SER OG : rot 120:sc= -1.46! USER MOD Single : C 41 SER OG : rot 180:sc= 0 USER MOD Single : C 45 TYR OH : rot 180:sc= 0 USER MOD Single : C 48 SER OG : rot -104:sc= 0.166 USER MOD Single : C 49 TYR OH : rot 180:sc= 0 USER MOD Single : C 52 LYS NZ :NH3+ -120:sc= 1.26 (180deg=-0.779) USER MOD Single : C 53 ASN :FLIP amide:sc= -0.565 F(o=-3.5!,f=-0.56) USER MOD Single : C 59 ASN : amide:sc= -1.22 K(o=-1.2,f=-6.1!) USER MOD Single : C 62 LYS NZ :NH3+ -173:sc= -0.0011 (180deg=-0.0859) USER MOD Single : C 64 TYR OH : rot 180:sc= 0 USER MOD Single : C 65 THR OG1 : rot 180:sc= 0 USER MOD Single : C 67 ASN : amide:sc= 0.0939 X(o=0.094,f=-0.029) USER MOD Single : C 69 LYS NZ :NH3+ -164:sc= -0.033 (180deg=-0.271) USER MOD Single : C 70 SER OG : rot 180:sc= 0 USER MOD Single : C 71 THR OG1 : rot 180:sc= -0.743 USER MOD Single : C 74 ASN :FLIP amide:sc= 0 F(o=-0.77,f=0) USER MOD Single : C 76 SER OG : rot 79:sc= 0.742 USER MOD Single : C 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 83 ASN :FLIP amide:sc= -3.19! C(o=-6.8!,f=-3.2!) USER MOD Single : C 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 88 TYR OH : rot 180:sc= 0 USER MOD Single : C 92 LYS NZ :NH3+ -178:sc= 1.11 (180deg=1.1) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP C 1 -23.965 -2.046 2.336 1.00 0.00 N ATOM 2 CA ASP C 1 -24.826 -3.251 2.244 1.00 0.00 C ATOM 3 C ASP C 1 -23.991 -4.499 1.986 1.00 0.00 C ATOM 4 O ASP C 1 -23.840 -5.344 2.863 1.00 0.00 O ATOM 5 CB ASP C 1 -25.871 -3.079 1.140 1.00 0.00 C ATOM 6 CG ASP C 1 -26.787 -1.901 1.398 1.00 0.00 C ATOM 7 OD1 ASP C 1 -26.352 -0.751 1.184 1.00 0.00 O ATOM 8 OD2 ASP C 1 -27.941 -2.113 1.822 1.00 0.00 O1- ATOM 0 H1 ASP C 1 -24.459 -1.233 1.915 1.00 0.00 H new ATOM 0 H2 ASP C 1 -23.756 -1.844 3.335 1.00 0.00 H new ATOM 0 H3 ASP C 1 -23.076 -2.215 1.823 1.00 0.00 H new ATOM 0 HA ASP C 1 -25.339 -3.372 3.198 1.00 0.00 H new ATOM 0 HB2 ASP C 1 -25.367 -2.942 0.183 1.00 0.00 H new ATOM 0 HB3 ASP C 1 -26.466 -3.989 1.060 1.00 0.00 H new ATOM 13 N ASN C 2 -23.432 -4.611 0.787 1.00 0.00 N ATOM 14 CA ASN C 2 -22.647 -5.788 0.425 1.00 0.00 C ATOM 15 C ASN C 2 -21.184 -5.597 0.766 1.00 0.00 C ATOM 16 O ASN C 2 -20.528 -6.523 1.231 1.00 0.00 O ATOM 17 CB ASN C 2 -22.783 -6.122 -1.064 1.00 0.00 C ATOM 18 CG ASN C 2 -24.201 -6.459 -1.479 1.00 0.00 C ATOM 19 OD1 ASN C 2 -24.991 -6.967 -0.549 1.00 0.00 O flip ATOM 20 ND2 ASN C 2 -24.584 -6.261 -2.632 1.00 0.00 N flip ATOM 0 H ASN C 2 -23.506 -3.907 0.052 1.00 0.00 H new ATOM 0 HA ASN C 2 -23.043 -6.620 1.007 1.00 0.00 H new ATOM 0 HB2 ASN C 2 -22.432 -5.274 -1.652 1.00 0.00 H new ATOM 0 HB3 ASN C 2 -22.133 -6.965 -1.300 1.00 0.00 H new ATOM 0 HD21 ASN C 2 -23.944 -5.867 -3.321 1.00 0.00 H new ATOM 0 HD22 ASN C 2 -25.542 -6.491 -2.898 1.00 0.00 H new ATOM 27 N GLN C 3 -20.669 -4.397 0.549 1.00 0.00 N ATOM 28 CA GLN C 3 -19.294 -4.095 0.926 1.00 0.00 C ATOM 29 C GLN C 3 -19.227 -3.717 2.397 1.00 0.00 C ATOM 30 O GLN C 3 -18.275 -3.095 2.863 1.00 0.00 O ATOM 31 CB GLN C 3 -18.720 -2.969 0.072 1.00 0.00 C ATOM 32 CG GLN C 3 -18.344 -3.392 -1.338 1.00 0.00 C ATOM 33 CD GLN C 3 -18.053 -2.217 -2.247 1.00 0.00 C ATOM 34 OE1 GLN C 3 -18.601 -1.130 -2.077 1.00 0.00 O ATOM 35 NE2 GLN C 3 -17.194 -2.431 -3.228 1.00 0.00 N ATOM 0 H GLN C 3 -21.175 -3.623 0.119 1.00 0.00 H new ATOM 0 HA GLN C 3 -18.694 -4.989 0.755 1.00 0.00 H new ATOM 0 HB2 GLN C 3 -19.450 -2.162 0.015 1.00 0.00 H new ATOM 0 HB3 GLN C 3 -17.837 -2.566 0.567 1.00 0.00 H new ATOM 0 HG2 GLN C 3 -17.468 -4.039 -1.296 1.00 0.00 H new ATOM 0 HG3 GLN C 3 -19.156 -3.982 -1.764 1.00 0.00 H new ATOM 0 HE21 GLN C 3 -16.760 -3.348 -3.335 1.00 0.00 H new ATOM 0 HE22 GLN C 3 -16.965 -1.679 -3.878 1.00 0.00 H new ATOM 44 N LYS C 4 -20.261 -4.105 3.111 1.00 0.00 N ATOM 45 CA LYS C 4 -20.400 -3.813 4.523 1.00 0.00 C ATOM 46 C LYS C 4 -19.315 -4.525 5.332 1.00 0.00 C ATOM 47 O LYS C 4 -18.551 -3.884 6.053 1.00 0.00 O ATOM 48 CB LYS C 4 -21.795 -4.235 4.983 1.00 0.00 C ATOM 49 CG LYS C 4 -22.129 -3.827 6.410 1.00 0.00 C ATOM 50 CD LYS C 4 -22.112 -2.316 6.591 1.00 0.00 C ATOM 51 CE LYS C 4 -22.500 -1.922 8.008 1.00 0.00 C ATOM 52 NZ LYS C 4 -22.610 -0.449 8.168 1.00 0.00 N1+ ATOM 0 H LYS C 4 -21.039 -4.639 2.724 1.00 0.00 H new ATOM 0 HA LYS C 4 -20.278 -2.742 4.687 1.00 0.00 H new ATOM 0 HB2 LYS C 4 -22.534 -3.801 4.310 1.00 0.00 H new ATOM 0 HB3 LYS C 4 -21.882 -5.318 4.896 1.00 0.00 H new ATOM 0 HG2 LYS C 4 -23.113 -4.213 6.676 1.00 0.00 H new ATOM 0 HG3 LYS C 4 -21.413 -4.282 7.094 1.00 0.00 H new ATOM 0 HD2 LYS C 4 -21.117 -1.932 6.365 1.00 0.00 H new ATOM 0 HD3 LYS C 4 -22.800 -1.855 5.882 1.00 0.00 H new ATOM 0 HE2 LYS C 4 -23.452 -2.386 8.265 1.00 0.00 H new ATOM 0 HE3 LYS C 4 -21.758 -2.308 8.707 1.00 0.00 H new ATOM 0 HZ1 LYS C 4 -22.876 -0.225 9.148 1.00 0.00 H new ATOM 0 HZ2 LYS C 4 -21.695 -0.007 7.948 1.00 0.00 H new ATOM 0 HZ3 LYS C 4 -23.336 -0.083 7.520 1.00 0.00 H new ATOM 66 N ALA C 5 -19.244 -5.846 5.207 1.00 0.00 N ATOM 67 CA ALA C 5 -18.181 -6.606 5.849 1.00 0.00 C ATOM 68 C ALA C 5 -16.998 -6.729 4.907 1.00 0.00 C ATOM 69 O ALA C 5 -15.941 -6.135 5.129 1.00 0.00 O ATOM 70 CB ALA C 5 -18.670 -7.982 6.282 1.00 0.00 C ATOM 0 H ALA C 5 -19.905 -6.408 4.671 1.00 0.00 H new ATOM 0 HA ALA C 5 -17.868 -6.072 6.746 1.00 0.00 H new ATOM 0 HB1 ALA C 5 -17.854 -8.525 6.758 1.00 0.00 H new ATOM 0 HB2 ALA C 5 -19.492 -7.870 6.989 1.00 0.00 H new ATOM 0 HB3 ALA C 5 -19.015 -8.537 5.409 1.00 0.00 H new ATOM 76 N LEU C 6 -17.187 -7.497 3.855 1.00 0.00 N ATOM 77 CA LEU C 6 -16.192 -7.609 2.803 1.00 0.00 C ATOM 78 C LEU C 6 -16.463 -6.566 1.731 1.00 0.00 C ATOM 79 O LEU C 6 -17.299 -6.768 0.851 1.00 0.00 O ATOM 80 CB LEU C 6 -16.193 -9.008 2.182 1.00 0.00 C ATOM 81 CG LEU C 6 -15.819 -10.152 3.126 1.00 0.00 C ATOM 82 CD1 LEU C 6 -15.724 -11.459 2.353 1.00 0.00 C ATOM 83 CD2 LEU C 6 -14.505 -9.860 3.838 1.00 0.00 C ATOM 0 H LEU C 6 -18.025 -8.058 3.703 1.00 0.00 H new ATOM 0 HA LEU C 6 -15.209 -7.438 3.243 1.00 0.00 H new ATOM 0 HB2 LEU C 6 -17.186 -9.205 1.777 1.00 0.00 H new ATOM 0 HB3 LEU C 6 -15.499 -9.013 1.342 1.00 0.00 H new ATOM 0 HG LEU C 6 -16.600 -10.244 3.881 1.00 0.00 H new ATOM 0 HD11 LEU C 6 -15.457 -12.266 3.035 1.00 0.00 H new ATOM 0 HD12 LEU C 6 -16.686 -11.678 1.890 1.00 0.00 H new ATOM 0 HD13 LEU C 6 -14.961 -11.370 1.580 1.00 0.00 H new ATOM 0 HD21 LEU C 6 -14.260 -10.688 4.504 1.00 0.00 H new ATOM 0 HD22 LEU C 6 -13.711 -9.740 3.101 1.00 0.00 H new ATOM 0 HD23 LEU C 6 -14.602 -8.943 4.420 1.00 0.00 H new ATOM 95 N GLU C 7 -15.768 -5.444 1.825 1.00 0.00 N ATOM 96 CA GLU C 7 -15.945 -4.354 0.881 1.00 0.00 C ATOM 97 C GLU C 7 -15.201 -4.661 -0.416 1.00 0.00 C ATOM 98 O GLU C 7 -15.686 -5.399 -1.271 1.00 0.00 O ATOM 99 CB GLU C 7 -15.450 -3.053 1.546 1.00 0.00 C ATOM 100 CG GLU C 7 -15.504 -1.789 0.696 1.00 0.00 C ATOM 101 CD GLU C 7 -15.627 -0.547 1.557 1.00 0.00 C ATOM 102 OE1 GLU C 7 -16.537 0.270 1.307 1.00 0.00 O ATOM 103 OE2 GLU C 7 -14.837 -0.400 2.513 1.00 0.00 O1- ATOM 0 H GLU C 7 -15.073 -5.264 2.550 1.00 0.00 H new ATOM 0 HA GLU C 7 -16.996 -4.232 0.620 1.00 0.00 H new ATOM 0 HB2 GLU C 7 -16.041 -2.884 2.446 1.00 0.00 H new ATOM 0 HB3 GLU C 7 -14.419 -3.205 1.866 1.00 0.00 H new ATOM 0 HG2 GLU C 7 -14.604 -1.722 0.084 1.00 0.00 H new ATOM 0 HG3 GLU C 7 -16.351 -1.845 0.012 1.00 0.00 H new ATOM 110 N GLU C 8 -14.033 -4.092 -0.545 1.00 0.00 N ATOM 111 CA GLU C 8 -13.054 -4.551 -1.527 1.00 0.00 C ATOM 112 C GLU C 8 -11.706 -4.744 -0.857 1.00 0.00 C ATOM 113 O GLU C 8 -10.678 -4.893 -1.508 1.00 0.00 O ATOM 114 CB GLU C 8 -12.947 -3.602 -2.717 1.00 0.00 C ATOM 115 CG GLU C 8 -14.117 -3.725 -3.678 1.00 0.00 C ATOM 116 CD GLU C 8 -13.866 -3.052 -5.009 1.00 0.00 C ATOM 117 OE1 GLU C 8 -12.756 -3.205 -5.557 1.00 0.00 O ATOM 118 OE2 GLU C 8 -14.794 -2.402 -5.533 1.00 0.00 O1- ATOM 0 H GLU C 8 -13.722 -3.301 0.018 1.00 0.00 H new ATOM 0 HA GLU C 8 -13.395 -5.508 -1.922 1.00 0.00 H new ATOM 0 HB2 GLU C 8 -12.888 -2.576 -2.353 1.00 0.00 H new ATOM 0 HB3 GLU C 8 -12.020 -3.803 -3.254 1.00 0.00 H new ATOM 0 HG2 GLU C 8 -14.332 -4.780 -3.846 1.00 0.00 H new ATOM 0 HG3 GLU C 8 -15.004 -3.289 -3.219 1.00 0.00 H new ATOM 125 N GLN C 9 -11.747 -4.761 0.465 1.00 0.00 N ATOM 126 CA GLN C 9 -10.587 -5.084 1.290 1.00 0.00 C ATOM 127 C GLN C 9 -10.359 -6.594 1.346 1.00 0.00 C ATOM 128 O GLN C 9 -9.740 -7.103 2.279 1.00 0.00 O ATOM 129 CB GLN C 9 -10.756 -4.527 2.700 1.00 0.00 C ATOM 130 CG GLN C 9 -10.583 -3.022 2.781 1.00 0.00 C ATOM 131 CD GLN C 9 -10.666 -2.512 4.200 1.00 0.00 C ATOM 132 OE1 GLN C 9 -9.665 -2.469 4.914 1.00 0.00 O ATOM 133 NE2 GLN C 9 -11.855 -2.113 4.616 1.00 0.00 N ATOM 0 H GLN C 9 -12.588 -4.551 1.002 1.00 0.00 H new ATOM 0 HA GLN C 9 -9.713 -4.620 0.833 1.00 0.00 H new ATOM 0 HB2 GLN C 9 -11.747 -4.791 3.070 1.00 0.00 H new ATOM 0 HB3 GLN C 9 -10.031 -5.004 3.360 1.00 0.00 H new ATOM 0 HG2 GLN C 9 -9.619 -2.746 2.354 1.00 0.00 H new ATOM 0 HG3 GLN C 9 -11.350 -2.537 2.177 1.00 0.00 H new ATOM 0 HE21 GLN C 9 -12.659 -2.166 3.990 1.00 0.00 H new ATOM 0 HE22 GLN C 9 -11.969 -1.752 5.563 1.00 0.00 H new ATOM 142 N MET C 10 -10.915 -7.300 0.370 1.00 0.00 N ATOM 143 CA MET C 10 -10.794 -8.753 0.283 1.00 0.00 C ATOM 144 C MET C 10 -9.353 -9.164 -0.040 1.00 0.00 C ATOM 145 O MET C 10 -8.409 -8.450 0.291 1.00 0.00 O ATOM 146 CB MET C 10 -11.738 -9.280 -0.799 1.00 0.00 C ATOM 147 CG MET C 10 -13.189 -8.879 -0.602 1.00 0.00 C ATOM 148 SD MET C 10 -14.216 -9.324 -2.012 1.00 0.00 S ATOM 149 CE MET C 10 -15.799 -8.661 -1.505 1.00 0.00 C ATOM 0 H MET C 10 -11.462 -6.884 -0.384 1.00 0.00 H new ATOM 0 HA MET C 10 -11.064 -9.182 1.248 1.00 0.00 H new ATOM 0 HB2 MET C 10 -11.400 -8.917 -1.770 1.00 0.00 H new ATOM 0 HB3 MET C 10 -11.673 -10.368 -0.825 1.00 0.00 H new ATOM 0 HG2 MET C 10 -13.578 -9.360 0.295 1.00 0.00 H new ATOM 0 HG3 MET C 10 -13.248 -7.803 -0.437 1.00 0.00 H new ATOM 0 HE1 MET C 10 -16.287 -8.191 -2.359 1.00 0.00 H new ATOM 0 HE2 MET C 10 -16.427 -9.468 -1.127 1.00 0.00 H new ATOM 0 HE3 MET C 10 -15.649 -7.920 -0.720 1.00 0.00 H new ATOM 159 N ASN C 11 -9.186 -10.296 -0.722 1.00 0.00 N ATOM 160 CA ASN C 11 -7.853 -10.818 -1.049 1.00 0.00 C ATOM 161 C ASN C 11 -7.053 -9.840 -1.905 1.00 0.00 C ATOM 162 O ASN C 11 -5.853 -10.031 -2.112 1.00 0.00 O ATOM 163 CB ASN C 11 -7.965 -12.166 -1.763 1.00 0.00 C ATOM 164 CG ASN C 11 -8.619 -13.227 -0.898 1.00 0.00 C ATOM 165 OD1 ASN C 11 -9.839 -13.397 -0.921 1.00 0.00 O ATOM 166 ND2 ASN C 11 -7.817 -13.951 -0.134 1.00 0.00 N ATOM 0 H ASN C 11 -9.956 -10.873 -1.061 1.00 0.00 H new ATOM 0 HA ASN C 11 -7.319 -10.952 -0.108 1.00 0.00 H new ATOM 0 HB2 ASN C 11 -8.542 -12.042 -2.679 1.00 0.00 H new ATOM 0 HB3 ASN C 11 -6.970 -12.502 -2.056 1.00 0.00 H new ATOM 0 HD21 ASN C 11 -8.204 -14.681 0.464 1.00 0.00 H new ATOM 0 HD22 ASN C 11 -6.812 -13.779 -0.143 1.00 0.00 H new ATOM 173 N SER C 12 -7.716 -8.792 -2.383 1.00 0.00 N ATOM 174 CA SER C 12 -7.073 -7.743 -3.156 1.00 0.00 C ATOM 175 C SER C 12 -5.801 -7.243 -2.467 1.00 0.00 C ATOM 176 O SER C 12 -4.741 -7.182 -3.090 1.00 0.00 O ATOM 177 CB SER C 12 -8.050 -6.585 -3.362 1.00 0.00 C ATOM 178 OG SER C 12 -9.286 -7.053 -3.881 1.00 0.00 O ATOM 0 H SER C 12 -8.716 -8.649 -2.243 1.00 0.00 H new ATOM 0 HA SER C 12 -6.787 -8.156 -4.123 1.00 0.00 H new ATOM 0 HB2 SER C 12 -8.219 -6.073 -2.415 1.00 0.00 H new ATOM 0 HB3 SER C 12 -7.617 -5.855 -4.046 1.00 0.00 H new ATOM 0 HG SER C 12 -9.897 -6.296 -4.004 1.00 0.00 H new ATOM 184 N ILE C 13 -5.893 -6.913 -1.175 1.00 0.00 N ATOM 185 CA ILE C 13 -4.731 -6.396 -0.456 1.00 0.00 C ATOM 186 C ILE C 13 -3.931 -7.529 0.191 1.00 0.00 C ATOM 187 O ILE C 13 -2.773 -7.347 0.544 1.00 0.00 O ATOM 188 CB ILE C 13 -5.088 -5.319 0.614 1.00 0.00 C ATOM 189 CG1 ILE C 13 -5.335 -5.928 2.004 1.00 0.00 C ATOM 190 CG2 ILE C 13 -6.300 -4.508 0.177 1.00 0.00 C ATOM 191 CD1 ILE C 13 -6.561 -6.801 2.094 1.00 0.00 C ATOM 0 H ILE C 13 -6.743 -6.993 -0.617 1.00 0.00 H new ATOM 0 HA ILE C 13 -4.118 -5.903 -1.210 1.00 0.00 H new ATOM 0 HB ILE C 13 -4.223 -4.661 0.696 1.00 0.00 H new ATOM 0 HG12 ILE C 13 -4.463 -6.517 2.289 1.00 0.00 H new ATOM 0 HG13 ILE C 13 -5.425 -5.120 2.730 1.00 0.00 H new ATOM 0 HG21 ILE C 13 -6.532 -3.762 0.937 1.00 0.00 H new ATOM 0 HG22 ILE C 13 -6.082 -4.008 -0.767 1.00 0.00 H new ATOM 0 HG23 ILE C 13 -7.155 -5.172 0.047 1.00 0.00 H new ATOM 0 HD11 ILE C 13 -6.658 -7.188 3.108 1.00 0.00 H new ATOM 0 HD12 ILE C 13 -7.445 -6.214 1.843 1.00 0.00 H new ATOM 0 HD13 ILE C 13 -6.468 -7.633 1.396 1.00 0.00 H new ATOM 203 N ASN C 14 -4.551 -8.695 0.358 1.00 0.00 N ATOM 204 CA ASN C 14 -3.861 -9.844 0.949 1.00 0.00 C ATOM 205 C ASN C 14 -2.799 -10.366 0.005 1.00 0.00 C ATOM 206 O ASN C 14 -1.675 -10.645 0.417 1.00 0.00 O ATOM 207 CB ASN C 14 -4.818 -10.979 1.261 1.00 0.00 C ATOM 208 CG ASN C 14 -5.858 -10.623 2.305 1.00 0.00 C ATOM 209 OD1 ASN C 14 -6.941 -10.151 1.977 1.00 0.00 O ATOM 210 ND2 ASN C 14 -5.537 -10.852 3.567 1.00 0.00 N ATOM 0 H ASN C 14 -5.521 -8.871 0.096 1.00 0.00 H new ATOM 0 HA ASN C 14 -3.409 -9.495 1.877 1.00 0.00 H new ATOM 0 HB2 ASN C 14 -5.324 -11.280 0.344 1.00 0.00 H new ATOM 0 HB3 ASN C 14 -4.247 -11.840 1.607 1.00 0.00 H new ATOM 0 HD21 ASN C 14 -6.201 -10.635 4.310 1.00 0.00 H new ATOM 0 HD22 ASN C 14 -4.625 -11.246 3.798 1.00 0.00 H new ATOM 217 N SER C 15 -3.165 -10.512 -1.265 1.00 0.00 N ATOM 218 CA SER C 15 -2.204 -10.890 -2.295 1.00 0.00 C ATOM 219 C SER C 15 -1.051 -9.890 -2.307 1.00 0.00 C ATOM 220 O SER C 15 0.106 -10.245 -2.537 1.00 0.00 O ATOM 221 CB SER C 15 -2.889 -10.933 -3.660 1.00 0.00 C ATOM 222 OG SER C 15 -4.057 -11.739 -3.615 1.00 0.00 O ATOM 0 H SER C 15 -4.117 -10.375 -1.604 1.00 0.00 H new ATOM 0 HA SER C 15 -1.810 -11.883 -2.077 1.00 0.00 H new ATOM 0 HB2 SER C 15 -3.152 -9.922 -3.972 1.00 0.00 H new ATOM 0 HB3 SER C 15 -2.199 -11.327 -4.406 1.00 0.00 H new ATOM 0 HG SER C 15 -4.797 -11.221 -3.235 1.00 0.00 H new ATOM 228 N VAL C 16 -1.391 -8.637 -2.029 1.00 0.00 N ATOM 229 CA VAL C 16 -0.408 -7.580 -1.885 1.00 0.00 C ATOM 230 C VAL C 16 0.416 -7.786 -0.614 1.00 0.00 C ATOM 231 O VAL C 16 1.625 -7.551 -0.606 1.00 0.00 O ATOM 232 CB VAL C 16 -1.091 -6.195 -1.841 1.00 0.00 C ATOM 233 CG1 VAL C 16 -0.068 -5.088 -1.644 1.00 0.00 C ATOM 234 CG2 VAL C 16 -1.887 -5.957 -3.113 1.00 0.00 C ATOM 0 H VAL C 16 -2.355 -8.330 -1.898 1.00 0.00 H new ATOM 0 HA VAL C 16 0.253 -7.618 -2.751 1.00 0.00 H new ATOM 0 HB VAL C 16 -1.773 -6.182 -0.991 1.00 0.00 H new ATOM 0 HG11 VAL C 16 -0.576 -4.124 -1.617 1.00 0.00 H new ATOM 0 HG12 VAL C 16 0.462 -5.246 -0.705 1.00 0.00 H new ATOM 0 HG13 VAL C 16 0.644 -5.100 -2.469 1.00 0.00 H new ATOM 0 HG21 VAL C 16 -2.362 -4.977 -3.067 1.00 0.00 H new ATOM 0 HG22 VAL C 16 -1.219 -5.996 -3.973 1.00 0.00 H new ATOM 0 HG23 VAL C 16 -2.652 -6.727 -3.213 1.00 0.00 H new ATOM 244 N ASN C 17 -0.233 -8.261 0.450 1.00 0.00 N ATOM 245 CA ASN C 17 0.451 -8.463 1.725 1.00 0.00 C ATOM 246 C ASN C 17 1.541 -9.511 1.584 1.00 0.00 C ATOM 247 O ASN C 17 2.667 -9.306 2.023 1.00 0.00 O ATOM 248 CB ASN C 17 -0.523 -8.899 2.823 1.00 0.00 C ATOM 249 CG ASN C 17 -1.016 -7.750 3.681 1.00 0.00 C ATOM 250 OD1 ASN C 17 -0.391 -7.395 4.681 1.00 0.00 O ATOM 251 ND2 ASN C 17 -2.141 -7.167 3.307 1.00 0.00 N ATOM 0 H ASN C 17 -1.222 -8.511 0.454 1.00 0.00 H new ATOM 0 HA ASN C 17 0.892 -7.508 2.009 1.00 0.00 H new ATOM 0 HB2 ASN C 17 -1.379 -9.393 2.364 1.00 0.00 H new ATOM 0 HB3 ASN C 17 -0.034 -9.635 3.461 1.00 0.00 H new ATOM 0 HD21 ASN C 17 -2.521 -6.394 3.853 1.00 0.00 H new ATOM 0 HD22 ASN C 17 -2.630 -7.490 2.472 1.00 0.00 H new ATOM 258 N ASP C 18 1.196 -10.621 0.947 1.00 0.00 N ATOM 259 CA ASP C 18 2.132 -11.723 0.749 1.00 0.00 C ATOM 260 C ASP C 18 3.271 -11.330 -0.180 1.00 0.00 C ATOM 261 O ASP C 18 4.326 -11.962 -0.184 1.00 0.00 O ATOM 262 CB ASP C 18 1.407 -12.945 0.185 1.00 0.00 C ATOM 263 CG ASP C 18 0.589 -13.670 1.230 1.00 0.00 C ATOM 264 OD1 ASP C 18 1.074 -14.688 1.764 1.00 0.00 O ATOM 265 OD2 ASP C 18 -0.539 -13.226 1.532 1.00 0.00 O1- ATOM 0 H ASP C 18 0.268 -10.784 0.555 1.00 0.00 H new ATOM 0 HA ASP C 18 2.555 -11.970 1.723 1.00 0.00 H new ATOM 0 HB2 ASP C 18 0.754 -12.631 -0.629 1.00 0.00 H new ATOM 0 HB3 ASP C 18 2.138 -13.633 -0.240 1.00 0.00 H new ATOM 270 N LYS C 19 3.062 -10.284 -0.965 1.00 0.00 N ATOM 271 CA LYS C 19 4.068 -9.838 -1.912 1.00 0.00 C ATOM 272 C LYS C 19 4.989 -8.815 -1.264 1.00 0.00 C ATOM 273 O LYS C 19 6.203 -8.834 -1.467 1.00 0.00 O ATOM 274 CB LYS C 19 3.404 -9.244 -3.158 1.00 0.00 C ATOM 275 CG LYS C 19 4.388 -8.595 -4.114 1.00 0.00 C ATOM 276 CD LYS C 19 3.719 -8.133 -5.395 1.00 0.00 C ATOM 277 CE LYS C 19 4.718 -7.459 -6.319 1.00 0.00 C ATOM 278 NZ LYS C 19 4.098 -7.032 -7.599 1.00 0.00 N1+ ATOM 0 H LYS C 19 2.206 -9.730 -0.964 1.00 0.00 H new ATOM 0 HA LYS C 19 4.664 -10.699 -2.215 1.00 0.00 H new ATOM 0 HB2 LYS C 19 2.864 -10.032 -3.683 1.00 0.00 H new ATOM 0 HB3 LYS C 19 2.666 -8.503 -2.849 1.00 0.00 H new ATOM 0 HG2 LYS C 19 4.860 -7.743 -3.625 1.00 0.00 H new ATOM 0 HG3 LYS C 19 5.180 -9.304 -4.355 1.00 0.00 H new ATOM 0 HD2 LYS C 19 3.268 -8.986 -5.902 1.00 0.00 H new ATOM 0 HD3 LYS C 19 2.912 -7.440 -5.158 1.00 0.00 H new ATOM 0 HE2 LYS C 19 5.146 -6.591 -5.817 1.00 0.00 H new ATOM 0 HE3 LYS C 19 5.539 -8.145 -6.526 1.00 0.00 H new ATOM 0 HZ1 LYS C 19 4.714 -6.339 -8.069 1.00 0.00 H new ATOM 0 HZ2 LYS C 19 3.973 -7.859 -8.217 1.00 0.00 H new ATOM 0 HZ3 LYS C 19 3.172 -6.599 -7.409 1.00 0.00 H new ATOM 292 N LEU C 20 4.402 -7.933 -0.472 1.00 0.00 N ATOM 293 CA LEU C 20 5.146 -6.866 0.174 1.00 0.00 C ATOM 294 C LEU C 20 5.808 -7.351 1.456 1.00 0.00 C ATOM 295 O LEU C 20 6.886 -6.885 1.821 1.00 0.00 O ATOM 296 CB LEU C 20 4.217 -5.689 0.460 1.00 0.00 C ATOM 297 CG LEU C 20 3.620 -5.025 -0.783 1.00 0.00 C ATOM 298 CD1 LEU C 20 2.828 -3.787 -0.405 1.00 0.00 C ATOM 299 CD2 LEU C 20 4.710 -4.670 -1.784 1.00 0.00 C ATOM 0 H LEU C 20 3.404 -7.936 -0.260 1.00 0.00 H new ATOM 0 HA LEU C 20 5.938 -6.540 -0.501 1.00 0.00 H new ATOM 0 HB2 LEU C 20 3.402 -6.034 1.097 1.00 0.00 H new ATOM 0 HB3 LEU C 20 4.768 -4.938 1.026 1.00 0.00 H new ATOM 0 HG LEU C 20 2.942 -5.739 -1.251 1.00 0.00 H new ATOM 0 HD11 LEU C 20 2.413 -3.332 -1.304 1.00 0.00 H new ATOM 0 HD12 LEU C 20 2.017 -4.065 0.268 1.00 0.00 H new ATOM 0 HD13 LEU C 20 3.484 -3.073 0.093 1.00 0.00 H new ATOM 0 HD21 LEU C 20 4.261 -4.199 -2.659 1.00 0.00 H new ATOM 0 HD22 LEU C 20 5.417 -3.980 -1.323 1.00 0.00 H new ATOM 0 HD23 LEU C 20 5.234 -5.576 -2.088 1.00 0.00 H new ATOM 311 N ASN C 21 5.172 -8.290 2.135 1.00 0.00 N ATOM 312 CA ASN C 21 5.747 -8.888 3.330 1.00 0.00 C ATOM 313 C ASN C 21 6.518 -10.145 2.947 1.00 0.00 C ATOM 314 O ASN C 21 6.036 -11.266 3.108 1.00 0.00 O ATOM 315 CB ASN C 21 4.658 -9.201 4.364 1.00 0.00 C ATOM 316 CG ASN C 21 4.051 -7.946 4.976 1.00 0.00 C ATOM 317 OD1 ASN C 21 4.557 -7.422 5.964 1.00 0.00 O ATOM 318 ND2 ASN C 21 2.953 -7.461 4.409 1.00 0.00 N ATOM 0 H ASN C 21 4.255 -8.656 1.879 1.00 0.00 H new ATOM 0 HA ASN C 21 6.435 -8.178 3.788 1.00 0.00 H new ATOM 0 HB2 ASN C 21 3.870 -9.787 3.890 1.00 0.00 H new ATOM 0 HB3 ASN C 21 5.082 -9.818 5.156 1.00 0.00 H new ATOM 0 HD21 ASN C 21 2.505 -6.629 4.794 1.00 0.00 H new ATOM 0 HD22 ASN C 21 2.557 -7.920 3.589 1.00 0.00 H new ATOM 325 N LYS C 22 7.727 -9.935 2.438 1.00 0.00 N ATOM 326 CA LYS C 22 8.519 -11.008 1.840 1.00 0.00 C ATOM 327 C LYS C 22 9.791 -11.321 2.629 1.00 0.00 C ATOM 328 O LYS C 22 10.249 -12.463 2.649 1.00 0.00 O ATOM 329 CB LYS C 22 8.865 -10.640 0.390 1.00 0.00 C ATOM 330 CG LYS C 22 8.983 -9.139 0.141 1.00 0.00 C ATOM 331 CD LYS C 22 10.298 -8.550 0.637 1.00 0.00 C ATOM 332 CE LYS C 22 10.094 -7.151 1.196 1.00 0.00 C ATOM 333 NZ LYS C 22 9.100 -6.386 0.403 1.00 0.00 N1+ ATOM 0 H LYS C 22 8.185 -9.024 2.427 1.00 0.00 H new ATOM 0 HA LYS C 22 7.912 -11.913 1.863 1.00 0.00 H new ATOM 0 HB2 LYS C 22 9.807 -11.118 0.120 1.00 0.00 H new ATOM 0 HB3 LYS C 22 8.100 -11.048 -0.270 1.00 0.00 H new ATOM 0 HG2 LYS C 22 8.886 -8.946 -0.927 1.00 0.00 H new ATOM 0 HG3 LYS C 22 8.155 -8.629 0.634 1.00 0.00 H new ATOM 0 HD2 LYS C 22 10.721 -9.195 1.407 1.00 0.00 H new ATOM 0 HD3 LYS C 22 11.017 -8.517 -0.182 1.00 0.00 H new ATOM 0 HE2 LYS C 22 9.761 -7.217 2.232 1.00 0.00 H new ATOM 0 HE3 LYS C 22 11.045 -6.618 1.201 1.00 0.00 H new ATOM 0 HZ1 LYS C 22 9.376 -5.384 0.374 1.00 0.00 H new ATOM 0 HZ2 LYS C 22 9.064 -6.764 -0.565 1.00 0.00 H new ATOM 0 HZ3 LYS C 22 8.162 -6.474 0.844 1.00 0.00 H new ATOM 347 N GLY C 23 10.352 -10.320 3.283 1.00 0.00 N ATOM 348 CA GLY C 23 11.612 -10.502 3.975 1.00 0.00 C ATOM 349 C GLY C 23 12.142 -9.195 4.505 1.00 0.00 C ATOM 350 O GLY C 23 12.092 -8.943 5.709 1.00 0.00 O ATOM 0 H GLY C 23 9.958 -9.381 3.349 1.00 0.00 H new ATOM 0 HA2 GLY C 23 11.478 -11.203 4.799 1.00 0.00 H new ATOM 0 HA3 GLY C 23 12.341 -10.944 3.296 1.00 0.00 H new ATOM 354 N LYS C 24 12.641 -8.355 3.606 1.00 0.00 N ATOM 355 CA LYS C 24 13.042 -7.003 3.963 1.00 0.00 C ATOM 356 C LYS C 24 11.810 -6.153 4.248 1.00 0.00 C ATOM 357 O LYS C 24 10.740 -6.690 4.540 1.00 0.00 O ATOM 358 CB LYS C 24 13.866 -6.371 2.851 1.00 0.00 C ATOM 359 CG LYS C 24 15.084 -7.185 2.471 1.00 0.00 C ATOM 360 CD LYS C 24 15.745 -6.604 1.246 1.00 0.00 C ATOM 361 CE LYS C 24 17.014 -7.353 0.876 1.00 0.00 C ATOM 362 NZ LYS C 24 16.756 -8.794 0.606 1.00 0.00 N1+ ATOM 0 H LYS C 24 12.777 -8.589 2.623 1.00 0.00 H new ATOM 0 HA LYS C 24 13.659 -7.053 4.860 1.00 0.00 H new ATOM 0 HB2 LYS C 24 13.236 -6.240 1.971 1.00 0.00 H new ATOM 0 HB3 LYS C 24 14.185 -5.377 3.165 1.00 0.00 H new ATOM 0 HG2 LYS C 24 15.791 -7.201 3.300 1.00 0.00 H new ATOM 0 HG3 LYS C 24 14.793 -8.218 2.280 1.00 0.00 H new ATOM 0 HD2 LYS C 24 15.048 -6.635 0.408 1.00 0.00 H new ATOM 0 HD3 LYS C 24 15.982 -5.555 1.425 1.00 0.00 H new ATOM 0 HE2 LYS C 24 17.461 -6.894 -0.006 1.00 0.00 H new ATOM 0 HE3 LYS C 24 17.738 -7.260 1.685 1.00 0.00 H new ATOM 0 HZ1 LYS C 24 17.607 -9.228 0.196 1.00 0.00 H new ATOM 0 HZ2 LYS C 24 16.515 -9.276 1.495 1.00 0.00 H new ATOM 0 HZ3 LYS C 24 15.965 -8.886 -0.063 1.00 0.00 H new ATOM 376 N GLY C 25 11.965 -4.838 4.154 1.00 0.00 N ATOM 377 CA GLY C 25 10.880 -3.922 4.465 1.00 0.00 C ATOM 378 C GLY C 25 9.569 -4.322 3.864 1.00 0.00 C ATOM 379 O GLY C 25 9.506 -4.783 2.727 1.00 0.00 O ATOM 0 H GLY C 25 12.832 -4.384 3.865 1.00 0.00 H new ATOM 0 HA2 GLY C 25 10.769 -3.857 5.547 1.00 0.00 H new ATOM 0 HA3 GLY C 25 11.144 -2.925 4.111 1.00 0.00 H new ATOM 383 N LYS C 26 8.514 -4.105 4.604 1.00 0.00 N ATOM 384 CA LYS C 26 7.262 -4.726 4.280 1.00 0.00 C ATOM 385 C LYS C 26 6.087 -3.818 4.584 1.00 0.00 C ATOM 386 O LYS C 26 6.152 -2.990 5.489 1.00 0.00 O ATOM 387 CB LYS C 26 7.212 -6.032 5.045 1.00 0.00 C ATOM 388 CG LYS C 26 7.376 -5.872 6.549 1.00 0.00 C ATOM 389 CD LYS C 26 7.885 -7.159 7.177 1.00 0.00 C ATOM 390 CE LYS C 26 9.404 -7.191 7.180 1.00 0.00 C ATOM 391 NZ LYS C 26 9.944 -8.512 7.598 1.00 0.00 N1+ ATOM 0 H LYS C 26 8.498 -3.506 5.430 1.00 0.00 H new ATOM 0 HA LYS C 26 7.188 -4.921 3.210 1.00 0.00 H new ATOM 0 HB2 LYS C 26 6.260 -6.524 4.843 1.00 0.00 H new ATOM 0 HB3 LYS C 26 7.996 -6.691 4.672 1.00 0.00 H new ATOM 0 HG2 LYS C 26 8.072 -5.060 6.759 1.00 0.00 H new ATOM 0 HG3 LYS C 26 6.421 -5.597 6.996 1.00 0.00 H new ATOM 0 HD2 LYS C 26 7.513 -7.243 8.198 1.00 0.00 H new ATOM 0 HD3 LYS C 26 7.499 -8.016 6.625 1.00 0.00 H new ATOM 0 HE2 LYS C 26 9.771 -6.951 6.182 1.00 0.00 H new ATOM 0 HE3 LYS C 26 9.779 -6.419 7.852 1.00 0.00 H new ATOM 0 HZ1 LYS C 26 10.724 -8.784 6.966 1.00 0.00 H new ATOM 0 HZ2 LYS C 26 10.295 -8.450 8.575 1.00 0.00 H new ATOM 0 HZ3 LYS C 26 9.191 -9.227 7.546 1.00 0.00 H new ATOM 405 N LEU C 27 5.022 -3.981 3.813 1.00 0.00 N ATOM 406 CA LEU C 27 3.901 -3.057 3.835 1.00 0.00 C ATOM 407 C LEU C 27 2.600 -3.789 4.163 1.00 0.00 C ATOM 408 O LEU C 27 2.136 -4.626 3.388 1.00 0.00 O ATOM 409 CB LEU C 27 3.801 -2.371 2.463 1.00 0.00 C ATOM 410 CG LEU C 27 3.703 -0.848 2.488 1.00 0.00 C ATOM 411 CD1 LEU C 27 3.777 -0.287 1.076 1.00 0.00 C ATOM 412 CD2 LEU C 27 2.418 -0.413 3.157 1.00 0.00 C ATOM 0 H LEU C 27 4.912 -4.755 3.157 1.00 0.00 H new ATOM 0 HA LEU C 27 4.063 -2.309 4.611 1.00 0.00 H new ATOM 0 HB2 LEU C 27 4.674 -2.651 1.873 1.00 0.00 H new ATOM 0 HB3 LEU C 27 2.927 -2.764 1.944 1.00 0.00 H new ATOM 0 HG LEU C 27 4.544 -0.458 3.061 1.00 0.00 H new ATOM 0 HD11 LEU C 27 3.706 0.800 1.112 1.00 0.00 H new ATOM 0 HD12 LEU C 27 4.725 -0.573 0.620 1.00 0.00 H new ATOM 0 HD13 LEU C 27 2.954 -0.685 0.483 1.00 0.00 H new ATOM 0 HD21 LEU C 27 2.363 0.676 3.167 1.00 0.00 H new ATOM 0 HD22 LEU C 27 1.567 -0.814 2.606 1.00 0.00 H new ATOM 0 HD23 LEU C 27 2.396 -0.787 4.181 1.00 0.00 H new ATOM 424 N SER C 28 2.031 -3.487 5.321 1.00 0.00 N ATOM 425 CA SER C 28 0.754 -4.058 5.727 1.00 0.00 C ATOM 426 C SER C 28 -0.362 -3.031 5.543 1.00 0.00 C ATOM 427 O SER C 28 -0.275 -1.918 6.057 1.00 0.00 O ATOM 428 CB SER C 28 0.818 -4.508 7.183 1.00 0.00 C ATOM 429 OG SER C 28 1.748 -5.569 7.345 1.00 0.00 O ATOM 0 H SER C 28 2.437 -2.845 6.001 1.00 0.00 H new ATOM 0 HA SER C 28 0.542 -4.925 5.101 1.00 0.00 H new ATOM 0 HB2 SER C 28 1.105 -3.668 7.815 1.00 0.00 H new ATOM 0 HB3 SER C 28 -0.170 -4.831 7.512 1.00 0.00 H new ATOM 0 HG SER C 28 1.774 -5.840 8.286 1.00 0.00 H new ATOM 435 N LEU C 29 -1.406 -3.408 4.819 1.00 0.00 N ATOM 436 CA LEU C 29 -2.446 -2.468 4.415 1.00 0.00 C ATOM 437 C LEU C 29 -3.663 -2.541 5.314 1.00 0.00 C ATOM 438 O LEU C 29 -4.097 -3.626 5.699 1.00 0.00 O ATOM 439 CB LEU C 29 -2.871 -2.750 2.970 1.00 0.00 C ATOM 440 CG LEU C 29 -1.738 -2.859 1.941 1.00 0.00 C ATOM 441 CD1 LEU C 29 -0.662 -1.817 2.196 1.00 0.00 C ATOM 442 CD2 LEU C 29 -1.140 -4.260 1.906 1.00 0.00 C ATOM 0 H LEU C 29 -1.557 -4.364 4.497 1.00 0.00 H new ATOM 0 HA LEU C 29 -2.025 -1.466 4.498 1.00 0.00 H new ATOM 0 HB2 LEU C 29 -3.439 -3.680 2.955 1.00 0.00 H new ATOM 0 HB3 LEU C 29 -3.549 -1.958 2.651 1.00 0.00 H new ATOM 0 HG LEU C 29 -2.173 -2.664 0.961 1.00 0.00 H new ATOM 0 HD11 LEU C 29 0.127 -1.919 1.451 1.00 0.00 H new ATOM 0 HD12 LEU C 29 -1.098 -0.820 2.129 1.00 0.00 H new ATOM 0 HD13 LEU C 29 -0.243 -1.963 3.191 1.00 0.00 H new ATOM 0 HD21 LEU C 29 -0.341 -4.296 1.165 1.00 0.00 H new ATOM 0 HD22 LEU C 29 -0.736 -4.508 2.888 1.00 0.00 H new ATOM 0 HD23 LEU C 29 -1.914 -4.980 1.640 1.00 0.00 H new ATOM 454 N SER C 30 -4.206 -1.381 5.663 1.00 0.00 N ATOM 455 CA SER C 30 -5.471 -1.333 6.352 1.00 0.00 C ATOM 456 C SER C 30 -6.252 -0.080 5.952 1.00 0.00 C ATOM 457 O SER C 30 -5.711 1.028 5.955 1.00 0.00 O ATOM 458 CB SER C 30 -5.259 -1.386 7.867 1.00 0.00 C ATOM 459 OG SER C 30 -4.511 -2.533 8.234 1.00 0.00 O ATOM 0 H SER C 30 -3.786 -0.470 5.477 1.00 0.00 H new ATOM 0 HA SER C 30 -6.058 -2.205 6.062 1.00 0.00 H new ATOM 0 HB2 SER C 30 -4.739 -0.487 8.197 1.00 0.00 H new ATOM 0 HB3 SER C 30 -6.224 -1.399 8.373 1.00 0.00 H new ATOM 0 HG SER C 30 -4.386 -2.545 9.206 1.00 0.00 H new ATOM 465 N MET C 31 -7.518 -0.265 5.597 1.00 0.00 N ATOM 466 CA MET C 31 -8.351 0.821 5.086 1.00 0.00 C ATOM 467 C MET C 31 -9.597 0.983 5.948 1.00 0.00 C ATOM 468 O MET C 31 -10.194 -0.006 6.370 1.00 0.00 O ATOM 469 CB MET C 31 -8.768 0.521 3.644 1.00 0.00 C ATOM 470 CG MET C 31 -7.616 0.082 2.757 1.00 0.00 C ATOM 471 SD MET C 31 -8.142 -0.439 1.116 1.00 0.00 S ATOM 472 CE MET C 31 -6.565 -0.902 0.404 1.00 0.00 C ATOM 0 H MET C 31 -7.995 -1.165 5.654 1.00 0.00 H new ATOM 0 HA MET C 31 -7.774 1.745 5.115 1.00 0.00 H new ATOM 0 HB2 MET C 31 -9.529 -0.259 3.650 1.00 0.00 H new ATOM 0 HB3 MET C 31 -9.227 1.411 3.215 1.00 0.00 H new ATOM 0 HG2 MET C 31 -6.907 0.904 2.660 1.00 0.00 H new ATOM 0 HG3 MET C 31 -7.087 -0.740 3.240 1.00 0.00 H new ATOM 0 HE1 MET C 31 -6.731 -1.534 -0.468 1.00 0.00 H new ATOM 0 HE2 MET C 31 -6.024 -0.005 0.104 1.00 0.00 H new ATOM 0 HE3 MET C 31 -5.979 -1.450 1.142 1.00 0.00 H new ATOM 482 N ASN C 32 -9.979 2.222 6.227 1.00 0.00 N ATOM 483 CA ASN C 32 -11.196 2.482 6.988 1.00 0.00 C ATOM 484 C ASN C 32 -11.838 3.793 6.563 1.00 0.00 C ATOM 485 O ASN C 32 -11.508 4.853 7.096 1.00 0.00 O ATOM 486 CB ASN C 32 -10.902 2.515 8.493 1.00 0.00 C ATOM 487 CG ASN C 32 -12.153 2.735 9.330 1.00 0.00 C ATOM 488 OD1 ASN C 32 -12.514 3.868 9.647 1.00 0.00 O ATOM 489 ND2 ASN C 32 -12.821 1.653 9.696 1.00 0.00 N ATOM 0 H ASN C 32 -9.469 3.058 5.941 1.00 0.00 H new ATOM 0 HA ASN C 32 -11.892 1.669 6.781 1.00 0.00 H new ATOM 0 HB2 ASN C 32 -10.433 1.577 8.788 1.00 0.00 H new ATOM 0 HB3 ASN C 32 -10.185 3.309 8.702 1.00 0.00 H new ATOM 0 HD21 ASN C 32 -13.666 1.742 10.260 1.00 0.00 H new ATOM 0 HD22 ASN C 32 -12.491 0.730 9.414 1.00 0.00 H new ATOM 496 N GLY C 33 -12.742 3.710 5.592 1.00 0.00 N ATOM 497 CA GLY C 33 -13.529 4.862 5.177 1.00 0.00 C ATOM 498 C GLY C 33 -12.689 6.031 4.683 1.00 0.00 C ATOM 499 O GLY C 33 -12.335 6.098 3.507 1.00 0.00 O ATOM 0 H GLY C 33 -12.947 2.853 5.078 1.00 0.00 H new ATOM 0 HA2 GLY C 33 -14.213 4.557 4.385 1.00 0.00 H new ATOM 0 HA3 GLY C 33 -14.141 5.194 6.016 1.00 0.00 H new ATOM 503 N ASN C 34 -12.376 6.956 5.583 1.00 0.00 N ATOM 504 CA ASN C 34 -11.616 8.144 5.233 1.00 0.00 C ATOM 505 C ASN C 34 -10.212 8.051 5.823 1.00 0.00 C ATOM 506 O ASN C 34 -9.616 9.047 6.233 1.00 0.00 O ATOM 507 CB ASN C 34 -12.335 9.406 5.726 1.00 0.00 C ATOM 508 CG ASN C 34 -11.913 10.676 4.992 1.00 0.00 C ATOM 509 OD1 ASN C 34 -12.726 11.577 4.789 1.00 0.00 O ATOM 510 ND2 ASN C 34 -10.649 10.772 4.598 1.00 0.00 N ATOM 0 H ASN C 34 -12.640 6.902 6.567 1.00 0.00 H new ATOM 0 HA ASN C 34 -11.534 8.208 4.148 1.00 0.00 H new ATOM 0 HB2 ASN C 34 -13.410 9.270 5.610 1.00 0.00 H new ATOM 0 HB3 ASN C 34 -12.142 9.531 6.791 1.00 0.00 H new ATOM 0 HD21 ASN C 34 -10.328 11.610 4.112 1.00 0.00 H new ATOM 0 HD22 ASN C 34 -9.998 10.008 4.781 1.00 0.00 H new ATOM 517 N GLN C 35 -9.694 6.842 5.899 1.00 0.00 N ATOM 518 CA GLN C 35 -8.356 6.638 6.412 1.00 0.00 C ATOM 519 C GLN C 35 -7.670 5.431 5.788 1.00 0.00 C ATOM 520 O GLN C 35 -8.280 4.383 5.574 1.00 0.00 O ATOM 521 CB GLN C 35 -8.365 6.470 7.928 1.00 0.00 C ATOM 522 CG GLN C 35 -6.981 6.186 8.483 1.00 0.00 C ATOM 523 CD GLN C 35 -6.974 5.970 9.982 1.00 0.00 C ATOM 524 OE1 GLN C 35 -6.808 6.912 10.755 1.00 0.00 O ATOM 525 NE2 GLN C 35 -7.149 4.730 10.402 1.00 0.00 N ATOM 0 H GLN C 35 -10.177 5.990 5.613 1.00 0.00 H new ATOM 0 HA GLN C 35 -7.793 7.532 6.143 1.00 0.00 H new ATOM 0 HB2 GLN C 35 -8.761 7.375 8.389 1.00 0.00 H new ATOM 0 HB3 GLN C 35 -9.037 5.655 8.197 1.00 0.00 H new ATOM 0 HG2 GLN C 35 -6.574 5.302 7.993 1.00 0.00 H new ATOM 0 HG3 GLN C 35 -6.321 7.018 8.239 1.00 0.00 H new ATOM 0 HE21 GLN C 35 -7.283 3.977 9.727 1.00 0.00 H new ATOM 0 HE22 GLN C 35 -7.150 4.525 11.401 1.00 0.00 H new ATOM 534 N LEU C 36 -6.392 5.614 5.505 1.00 0.00 N ATOM 535 CA LEU C 36 -5.497 4.532 5.147 1.00 0.00 C ATOM 536 C LEU C 36 -4.399 4.479 6.202 1.00 0.00 C ATOM 537 O LEU C 36 -3.796 5.506 6.514 1.00 0.00 O ATOM 538 CB LEU C 36 -4.901 4.795 3.749 1.00 0.00 C ATOM 539 CG LEU C 36 -4.190 3.619 3.049 1.00 0.00 C ATOM 540 CD1 LEU C 36 -2.905 3.223 3.757 1.00 0.00 C ATOM 541 CD2 LEU C 36 -5.117 2.423 2.936 1.00 0.00 C ATOM 0 H LEU C 36 -5.943 6.530 5.518 1.00 0.00 H new ATOM 0 HA LEU C 36 -6.025 3.579 5.111 1.00 0.00 H new ATOM 0 HB2 LEU C 36 -5.706 5.138 3.099 1.00 0.00 H new ATOM 0 HB3 LEU C 36 -4.189 5.616 3.835 1.00 0.00 H new ATOM 0 HG LEU C 36 -3.922 3.958 2.048 1.00 0.00 H new ATOM 0 HD11 LEU C 36 -2.440 2.391 3.228 1.00 0.00 H new ATOM 0 HD12 LEU C 36 -2.221 4.072 3.772 1.00 0.00 H new ATOM 0 HD13 LEU C 36 -3.131 2.922 4.780 1.00 0.00 H new ATOM 0 HD21 LEU C 36 -4.596 1.605 2.439 1.00 0.00 H new ATOM 0 HD22 LEU C 36 -5.425 2.106 3.932 1.00 0.00 H new ATOM 0 HD23 LEU C 36 -5.997 2.698 2.355 1.00 0.00 H new ATOM 553 N LYS C 37 -4.177 3.311 6.782 1.00 0.00 N ATOM 554 CA LYS C 37 -3.072 3.126 7.708 1.00 0.00 C ATOM 555 C LYS C 37 -2.304 1.880 7.295 1.00 0.00 C ATOM 556 O LYS C 37 -2.770 0.747 7.437 1.00 0.00 O ATOM 557 CB LYS C 37 -3.561 3.031 9.170 1.00 0.00 C ATOM 558 CG LYS C 37 -4.394 1.798 9.497 1.00 0.00 C ATOM 559 CD LYS C 37 -4.641 1.676 10.993 1.00 0.00 C ATOM 560 CE LYS C 37 -5.200 0.311 11.367 1.00 0.00 C ATOM 561 NZ LYS C 37 -6.611 0.132 10.933 1.00 0.00 N1+ ATOM 0 H LYS C 37 -4.746 2.478 6.628 1.00 0.00 H new ATOM 0 HA LYS C 37 -2.414 3.994 7.664 1.00 0.00 H new ATOM 0 HB2 LYS C 37 -2.693 3.048 9.828 1.00 0.00 H new ATOM 0 HB3 LYS C 37 -4.151 3.919 9.397 1.00 0.00 H new ATOM 0 HG2 LYS C 37 -5.348 1.852 8.972 1.00 0.00 H new ATOM 0 HG3 LYS C 37 -3.882 0.905 9.137 1.00 0.00 H new ATOM 0 HD2 LYS C 37 -3.708 1.845 11.530 1.00 0.00 H new ATOM 0 HD3 LYS C 37 -5.337 2.453 11.310 1.00 0.00 H new ATOM 0 HE2 LYS C 37 -4.584 -0.466 10.915 1.00 0.00 H new ATOM 0 HE3 LYS C 37 -5.137 0.180 12.447 1.00 0.00 H new ATOM 0 HZ1 LYS C 37 -6.943 -0.813 11.212 1.00 0.00 H new ATOM 0 HZ2 LYS C 37 -7.207 0.855 11.384 1.00 0.00 H new ATOM 0 HZ3 LYS C 37 -6.671 0.229 9.899 1.00 0.00 H new ATOM 575 N ALA C 38 -1.150 2.103 6.718 1.00 0.00 N ATOM 576 CA ALA C 38 -0.285 1.025 6.315 1.00 0.00 C ATOM 577 C ALA C 38 0.960 1.030 7.177 1.00 0.00 C ATOM 578 O ALA C 38 1.602 2.064 7.342 1.00 0.00 O ATOM 579 CB ALA C 38 0.062 1.166 4.845 1.00 0.00 C ATOM 0 H ALA C 38 -0.785 3.034 6.515 1.00 0.00 H new ATOM 0 HA ALA C 38 -0.793 0.070 6.450 1.00 0.00 H new ATOM 0 HB1 ALA C 38 0.717 0.348 4.546 1.00 0.00 H new ATOM 0 HB2 ALA C 38 -0.851 1.136 4.251 1.00 0.00 H new ATOM 0 HB3 ALA C 38 0.570 2.116 4.681 1.00 0.00 H new ATOM 585 N THR C 39 1.277 -0.109 7.753 1.00 0.00 N ATOM 586 CA THR C 39 2.426 -0.204 8.624 1.00 0.00 C ATOM 587 C THR C 39 3.577 -0.887 7.909 1.00 0.00 C ATOM 588 O THR C 39 3.372 -1.743 7.048 1.00 0.00 O ATOM 589 CB THR C 39 2.089 -0.968 9.917 1.00 0.00 C ATOM 590 OG1 THR C 39 1.582 -2.266 9.593 1.00 0.00 O ATOM 591 CG2 THR C 39 1.064 -0.207 10.744 1.00 0.00 C ATOM 0 H THR C 39 0.757 -0.979 7.634 1.00 0.00 H new ATOM 0 HA THR C 39 2.720 0.810 8.893 1.00 0.00 H new ATOM 0 HB THR C 39 3.001 -1.069 10.506 1.00 0.00 H new ATOM 0 HG1 THR C 39 2.328 -2.866 9.383 1.00 0.00 H new ATOM 0 HG21 THR C 39 0.842 -0.767 11.653 1.00 0.00 H new ATOM 0 HG22 THR C 39 1.464 0.771 11.009 1.00 0.00 H new ATOM 0 HG23 THR C 39 0.150 -0.080 10.164 1.00 0.00 H new ATOM 599 N SER C 40 4.779 -0.497 8.270 1.00 0.00 N ATOM 600 CA SER C 40 5.975 -1.062 7.689 1.00 0.00 C ATOM 601 C SER C 40 6.800 -1.714 8.776 1.00 0.00 C ATOM 602 O SER C 40 6.918 -1.180 9.878 1.00 0.00 O ATOM 603 CB SER C 40 6.785 0.025 6.988 1.00 0.00 C ATOM 604 OG SER C 40 7.107 1.073 7.886 1.00 0.00 O ATOM 0 H SER C 40 4.954 0.220 8.974 1.00 0.00 H new ATOM 0 HA SER C 40 5.697 -1.813 6.950 1.00 0.00 H new ATOM 0 HB2 SER C 40 7.700 -0.404 6.580 1.00 0.00 H new ATOM 0 HB3 SER C 40 6.217 0.423 6.147 1.00 0.00 H new ATOM 0 HG SER C 40 8.081 1.158 7.953 1.00 0.00 H new ATOM 610 N SER C 41 7.345 -2.873 8.485 1.00 0.00 N ATOM 611 CA SER C 41 8.169 -3.558 9.450 1.00 0.00 C ATOM 612 C SER C 41 9.594 -3.706 8.930 1.00 0.00 C ATOM 613 O SER C 41 9.893 -3.278 7.809 1.00 0.00 O ATOM 614 CB SER C 41 7.565 -4.917 9.791 1.00 0.00 C ATOM 615 OG SER C 41 6.197 -4.787 10.139 1.00 0.00 O ATOM 0 H SER C 41 7.233 -3.357 7.594 1.00 0.00 H new ATOM 0 HA SER C 41 8.206 -2.963 10.363 1.00 0.00 H new ATOM 0 HB2 SER C 41 7.666 -5.589 8.939 1.00 0.00 H new ATOM 0 HB3 SER C 41 8.114 -5.367 10.618 1.00 0.00 H new ATOM 0 HG SER C 41 5.828 -5.670 10.352 1.00 0.00 H new ATOM 621 N ASN C 42 10.445 -4.320 9.755 1.00 0.00 N ATOM 622 CA ASN C 42 11.877 -4.490 9.483 1.00 0.00 C ATOM 623 C ASN C 42 12.652 -3.221 9.803 1.00 0.00 C ATOM 624 O ASN C 42 13.726 -2.980 9.255 1.00 0.00 O ATOM 625 CB ASN C 42 12.159 -4.935 8.045 1.00 0.00 C ATOM 626 CG ASN C 42 13.112 -6.112 7.990 1.00 0.00 C ATOM 627 OD1 ASN C 42 12.687 -7.267 7.951 1.00 0.00 O ATOM 628 ND2 ASN C 42 14.405 -5.830 8.010 1.00 0.00 N ATOM 0 H ASN C 42 10.155 -4.721 10.647 1.00 0.00 H new ATOM 0 HA ASN C 42 12.219 -5.289 10.141 1.00 0.00 H new ATOM 0 HB2 ASN C 42 11.221 -5.205 7.559 1.00 0.00 H new ATOM 0 HB3 ASN C 42 12.580 -4.101 7.484 1.00 0.00 H new ATOM 0 HD21 ASN C 42 15.092 -6.584 7.993 1.00 0.00 H new ATOM 0 HD22 ASN C 42 14.715 -4.859 8.042 1.00 0.00 H new ATOM 635 N ALA C 43 12.069 -2.406 10.681 1.00 0.00 N ATOM 636 CA ALA C 43 12.749 -1.260 11.283 1.00 0.00 C ATOM 637 C ALA C 43 13.304 -0.274 10.254 1.00 0.00 C ATOM 638 O ALA C 43 14.469 0.116 10.324 1.00 0.00 O ATOM 639 CB ALA C 43 13.855 -1.744 12.208 1.00 0.00 C ATOM 0 H ALA C 43 11.106 -2.523 10.996 1.00 0.00 H new ATOM 0 HA ALA C 43 12.000 -0.712 11.854 1.00 0.00 H new ATOM 0 HB1 ALA C 43 14.358 -0.886 12.654 1.00 0.00 H new ATOM 0 HB2 ALA C 43 13.426 -2.362 12.996 1.00 0.00 H new ATOM 0 HB3 ALA C 43 14.575 -2.331 11.638 1.00 0.00 H new ATOM 645 N GLY C 44 12.471 0.130 9.307 1.00 0.00 N ATOM 646 CA GLY C 44 12.867 1.165 8.366 1.00 0.00 C ATOM 647 C GLY C 44 13.594 0.631 7.147 1.00 0.00 C ATOM 648 O GLY C 44 13.942 1.394 6.244 1.00 0.00 O ATOM 0 H GLY C 44 11.529 -0.237 9.171 1.00 0.00 H new ATOM 0 HA2 GLY C 44 11.979 1.707 8.041 1.00 0.00 H new ATOM 0 HA3 GLY C 44 13.510 1.882 8.877 1.00 0.00 H new ATOM 652 N TYR C 45 13.838 -0.672 7.118 1.00 0.00 N ATOM 653 CA TYR C 45 14.476 -1.297 5.966 1.00 0.00 C ATOM 654 C TYR C 45 13.576 -1.223 4.742 1.00 0.00 C ATOM 655 O TYR C 45 12.350 -1.153 4.855 1.00 0.00 O ATOM 656 CB TYR C 45 14.838 -2.749 6.273 1.00 0.00 C ATOM 657 CG TYR C 45 16.258 -2.920 6.774 1.00 0.00 C ATOM 658 CD1 TYR C 45 17.248 -3.464 5.960 1.00 0.00 C ATOM 659 CD2 TYR C 45 16.613 -2.527 8.058 1.00 0.00 C ATOM 660 CE1 TYR C 45 18.543 -3.610 6.414 1.00 0.00 C ATOM 661 CE2 TYR C 45 17.908 -2.671 8.518 1.00 0.00 C ATOM 662 CZ TYR C 45 18.867 -3.213 7.692 1.00 0.00 C ATOM 663 OH TYR C 45 20.160 -3.356 8.143 1.00 0.00 O ATOM 0 H TYR C 45 13.605 -1.315 7.875 1.00 0.00 H new ATOM 0 HA TYR C 45 15.393 -0.749 5.750 1.00 0.00 H new ATOM 0 HB2 TYR C 45 14.147 -3.138 7.021 1.00 0.00 H new ATOM 0 HB3 TYR C 45 14.703 -3.348 5.372 1.00 0.00 H new ATOM 0 HD1 TYR C 45 16.998 -3.777 4.957 1.00 0.00 H new ATOM 0 HD2 TYR C 45 15.863 -2.101 8.709 1.00 0.00 H new ATOM 0 HE1 TYR C 45 19.299 -4.034 5.770 1.00 0.00 H new ATOM 0 HE2 TYR C 45 18.166 -2.360 9.520 1.00 0.00 H new ATOM 0 HH TYR C 45 20.223 -3.028 9.064 1.00 0.00 H new ATOM 673 N GLY C 46 14.199 -1.225 3.575 1.00 0.00 N ATOM 674 CA GLY C 46 13.461 -1.118 2.341 1.00 0.00 C ATOM 675 C GLY C 46 13.043 -2.463 1.810 1.00 0.00 C ATOM 676 O GLY C 46 13.567 -3.489 2.233 1.00 0.00 O ATOM 0 H GLY C 46 15.210 -1.300 3.463 1.00 0.00 H new ATOM 0 HA2 GLY C 46 12.576 -0.502 2.501 1.00 0.00 H new ATOM 0 HA3 GLY C 46 14.073 -0.610 1.596 1.00 0.00 H new ATOM 680 N ILE C 47 12.087 -2.445 0.895 1.00 0.00 N ATOM 681 CA ILE C 47 11.601 -3.648 0.232 1.00 0.00 C ATOM 682 C ILE C 47 12.740 -4.451 -0.342 1.00 0.00 C ATOM 683 O ILE C 47 12.972 -5.605 0.014 1.00 0.00 O ATOM 684 CB ILE C 47 10.744 -3.274 -0.972 1.00 0.00 C ATOM 685 CG1 ILE C 47 9.487 -2.491 -0.559 1.00 0.00 C ATOM 686 CG2 ILE C 47 10.416 -4.502 -1.804 1.00 0.00 C ATOM 687 CD1 ILE C 47 8.482 -3.287 0.242 1.00 0.00 C ATOM 0 H ILE C 47 11.622 -1.590 0.588 1.00 0.00 H new ATOM 0 HA ILE C 47 11.048 -4.213 0.983 1.00 0.00 H new ATOM 0 HB ILE C 47 11.326 -2.602 -1.603 1.00 0.00 H new ATOM 0 HG12 ILE C 47 9.792 -1.623 0.026 1.00 0.00 H new ATOM 0 HG13 ILE C 47 8.999 -2.114 -1.458 1.00 0.00 H new ATOM 0 HG21 ILE C 47 9.804 -4.210 -2.657 1.00 0.00 H new ATOM 0 HG22 ILE C 47 11.340 -4.958 -2.159 1.00 0.00 H new ATOM 0 HG23 ILE C 47 9.868 -5.220 -1.193 1.00 0.00 H new ATOM 0 HD11 ILE C 47 7.630 -2.654 0.488 1.00 0.00 H new ATOM 0 HD12 ILE C 47 8.143 -4.140 -0.345 1.00 0.00 H new ATOM 0 HD13 ILE C 47 8.948 -3.642 1.161 1.00 0.00 H new ATOM 699 N SER C 48 13.403 -3.817 -1.280 1.00 0.00 N ATOM 700 CA SER C 48 14.411 -4.454 -2.064 1.00 0.00 C ATOM 701 C SER C 48 15.340 -3.388 -2.611 1.00 0.00 C ATOM 702 O SER C 48 15.179 -2.204 -2.311 1.00 0.00 O ATOM 703 CB SER C 48 13.765 -5.266 -3.197 1.00 0.00 C ATOM 704 OG SER C 48 14.722 -6.068 -3.874 1.00 0.00 O ATOM 0 H SER C 48 13.250 -2.836 -1.515 1.00 0.00 H new ATOM 0 HA SER C 48 14.986 -5.148 -1.451 1.00 0.00 H new ATOM 0 HB2 SER C 48 12.980 -5.902 -2.788 1.00 0.00 H new ATOM 0 HB3 SER C 48 13.290 -4.588 -3.906 1.00 0.00 H new ATOM 0 HG SER C 48 14.939 -5.659 -4.738 1.00 0.00 H new ATOM 710 N TYR C 49 16.288 -3.798 -3.416 1.00 0.00 N ATOM 711 CA TYR C 49 17.321 -2.904 -3.885 1.00 0.00 C ATOM 712 C TYR C 49 17.194 -2.714 -5.391 1.00 0.00 C ATOM 713 O TYR C 49 18.175 -2.783 -6.136 1.00 0.00 O ATOM 714 CB TYR C 49 18.661 -3.509 -3.501 1.00 0.00 C ATOM 715 CG TYR C 49 19.750 -2.486 -3.191 1.00 0.00 C ATOM 716 CD1 TYR C 49 20.421 -1.803 -4.209 1.00 0.00 C ATOM 717 CD2 TYR C 49 20.115 -2.205 -1.873 1.00 0.00 C ATOM 718 CE1 TYR C 49 21.415 -0.887 -3.920 1.00 0.00 C ATOM 719 CE2 TYR C 49 21.105 -1.287 -1.586 1.00 0.00 C ATOM 720 CZ TYR C 49 21.751 -0.632 -2.610 1.00 0.00 C ATOM 721 OH TYR C 49 22.743 0.278 -2.322 1.00 0.00 O ATOM 0 H TYR C 49 16.367 -4.754 -3.764 1.00 0.00 H new ATOM 0 HA TYR C 49 17.229 -1.918 -3.430 1.00 0.00 H new ATOM 0 HB2 TYR C 49 18.521 -4.148 -2.629 1.00 0.00 H new ATOM 0 HB3 TYR C 49 19.003 -4.150 -4.314 1.00 0.00 H new ATOM 0 HD1 TYR C 49 20.158 -1.994 -5.239 1.00 0.00 H new ATOM 0 HD2 TYR C 49 19.614 -2.715 -1.064 1.00 0.00 H new ATOM 0 HE1 TYR C 49 21.927 -0.373 -4.720 1.00 0.00 H new ATOM 0 HE2 TYR C 49 21.372 -1.083 -0.560 1.00 0.00 H new ATOM 0 HH TYR C 49 22.856 0.342 -1.351 1.00 0.00 H new ATOM 731 N GLU C 50 15.961 -2.486 -5.825 1.00 0.00 N ATOM 732 CA GLU C 50 15.637 -2.356 -7.238 1.00 0.00 C ATOM 733 C GLU C 50 14.606 -1.261 -7.438 1.00 0.00 C ATOM 734 O GLU C 50 13.729 -1.067 -6.593 1.00 0.00 O ATOM 735 CB GLU C 50 15.079 -3.678 -7.764 1.00 0.00 C ATOM 736 CG GLU C 50 16.064 -4.829 -7.706 1.00 0.00 C ATOM 737 CD GLU C 50 15.392 -6.173 -7.859 1.00 0.00 C ATOM 738 OE1 GLU C 50 15.617 -7.052 -7.004 1.00 0.00 O ATOM 739 OE2 GLU C 50 14.625 -6.355 -8.823 1.00 0.00 O1- ATOM 0 H GLU C 50 15.157 -2.386 -5.205 1.00 0.00 H new ATOM 0 HA GLU C 50 16.545 -2.099 -7.784 1.00 0.00 H new ATOM 0 HB2 GLU C 50 14.193 -3.942 -7.187 1.00 0.00 H new ATOM 0 HB3 GLU C 50 14.757 -3.540 -8.796 1.00 0.00 H new ATOM 0 HG2 GLU C 50 16.808 -4.707 -8.493 1.00 0.00 H new ATOM 0 HG3 GLU C 50 16.597 -4.799 -6.756 1.00 0.00 H new ATOM 746 N ASP C 51 14.711 -0.545 -8.547 1.00 0.00 N ATOM 747 CA ASP C 51 13.771 0.523 -8.846 1.00 0.00 C ATOM 748 C ASP C 51 12.461 -0.047 -9.359 1.00 0.00 C ATOM 749 O ASP C 51 12.400 -0.665 -10.421 1.00 0.00 O ATOM 750 CB ASP C 51 14.365 1.528 -9.846 1.00 0.00 C ATOM 751 CG ASP C 51 14.803 0.898 -11.156 1.00 0.00 C ATOM 752 OD1 ASP C 51 14.113 1.095 -12.182 1.00 0.00 O ATOM 753 OD2 ASP C 51 15.848 0.214 -11.172 1.00 0.00 O1- ATOM 0 H ASP C 51 15.435 -0.684 -9.252 1.00 0.00 H new ATOM 0 HA ASP C 51 13.570 1.062 -7.920 1.00 0.00 H new ATOM 0 HB2 ASP C 51 13.625 2.301 -10.054 1.00 0.00 H new ATOM 0 HB3 ASP C 51 15.221 2.022 -9.386 1.00 0.00 H new ATOM 758 N LYS C 52 11.417 0.151 -8.571 1.00 0.00 N ATOM 759 CA LYS C 52 10.113 -0.407 -8.867 1.00 0.00 C ATOM 760 C LYS C 52 9.055 0.675 -8.869 1.00 0.00 C ATOM 761 O LYS C 52 8.945 1.451 -7.915 1.00 0.00 O ATOM 762 CB LYS C 52 9.755 -1.469 -7.839 1.00 0.00 C ATOM 763 CG LYS C 52 9.816 -2.885 -8.368 1.00 0.00 C ATOM 764 CD LYS C 52 11.187 -3.235 -8.927 1.00 0.00 C ATOM 765 CE LYS C 52 11.302 -4.732 -9.169 1.00 0.00 C ATOM 766 NZ LYS C 52 12.553 -5.103 -9.877 1.00 0.00 N1+ ATOM 0 H LYS C 52 11.452 0.701 -7.713 1.00 0.00 H new ATOM 0 HA LYS C 52 10.152 -0.860 -9.858 1.00 0.00 H new ATOM 0 HB2 LYS C 52 10.432 -1.380 -6.990 1.00 0.00 H new ATOM 0 HB3 LYS C 52 8.749 -1.275 -7.466 1.00 0.00 H new ATOM 0 HG2 LYS C 52 9.564 -3.581 -7.567 1.00 0.00 H new ATOM 0 HG3 LYS C 52 9.065 -3.012 -9.148 1.00 0.00 H new ATOM 0 HD2 LYS C 52 11.353 -2.697 -9.860 1.00 0.00 H new ATOM 0 HD3 LYS C 52 11.962 -2.913 -8.231 1.00 0.00 H new ATOM 0 HE2 LYS C 52 11.261 -5.255 -8.213 1.00 0.00 H new ATOM 0 HE3 LYS C 52 10.445 -5.068 -9.753 1.00 0.00 H new ATOM 0 HZ1 LYS C 52 12.318 -5.571 -10.775 1.00 0.00 H new ATOM 0 HZ2 LYS C 52 13.111 -4.246 -10.069 1.00 0.00 H new ATOM 0 HZ3 LYS C 52 13.108 -5.752 -9.284 1.00 0.00 H new ATOM 780 N ASN C 53 8.268 0.695 -9.930 1.00 0.00 N ATOM 781 CA ASN C 53 7.251 1.717 -10.116 1.00 0.00 C ATOM 782 C ASN C 53 5.934 1.294 -9.486 1.00 0.00 C ATOM 783 O ASN C 53 5.159 0.531 -10.058 1.00 0.00 O ATOM 784 CB ASN C 53 7.075 2.043 -11.605 1.00 0.00 C ATOM 785 CG ASN C 53 7.103 0.809 -12.494 1.00 0.00 C ATOM 786 OD1 ASN C 53 5.946 0.231 -12.754 1.00 0.00 O flip ATOM 787 ND2 ASN C 53 8.165 0.383 -12.948 1.00 0.00 N flip ATOM 0 H ASN C 53 8.314 0.008 -10.683 1.00 0.00 H new ATOM 0 HA ASN C 53 7.583 2.624 -9.611 1.00 0.00 H new ATOM 0 HB2 ASN C 53 6.128 2.564 -11.747 1.00 0.00 H new ATOM 0 HB3 ASN C 53 7.865 2.726 -11.917 1.00 0.00 H new ATOM 0 HD21 ASN C 53 9.041 0.856 -12.726 1.00 0.00 H new ATOM 0 HD22 ASN C 53 8.169 -0.443 -13.547 1.00 0.00 H new ATOM 794 N TRP C 54 5.700 1.812 -8.297 1.00 0.00 N ATOM 795 CA TRP C 54 4.551 1.451 -7.494 1.00 0.00 C ATOM 796 C TRP C 54 3.481 2.527 -7.522 1.00 0.00 C ATOM 797 O TRP C 54 3.749 3.642 -7.951 1.00 0.00 O ATOM 798 CB TRP C 54 5.007 1.272 -6.070 1.00 0.00 C ATOM 799 CG TRP C 54 4.697 -0.064 -5.535 1.00 0.00 C ATOM 800 CD1 TRP C 54 5.482 -1.166 -5.541 1.00 0.00 C ATOM 801 CD2 TRP C 54 3.487 -0.423 -4.925 1.00 0.00 C ATOM 802 NE1 TRP C 54 4.820 -2.210 -4.932 1.00 0.00 N ATOM 803 CE2 TRP C 54 3.578 -1.767 -4.544 1.00 0.00 C ATOM 804 CE3 TRP C 54 2.336 0.288 -4.658 1.00 0.00 C ATOM 805 CZ2 TRP C 54 2.528 -2.417 -3.898 1.00 0.00 C ATOM 806 CZ3 TRP C 54 1.310 -0.338 -4.033 1.00 0.00 C ATOM 807 CH2 TRP C 54 1.403 -1.684 -3.652 1.00 0.00 C ATOM 0 H TRP C 54 6.309 2.502 -7.857 1.00 0.00 H new ATOM 0 HA TRP C 54 4.123 0.534 -7.901 1.00 0.00 H new ATOM 0 HB2 TRP C 54 6.082 1.440 -6.014 1.00 0.00 H new ATOM 0 HB3 TRP C 54 4.533 2.028 -5.444 1.00 0.00 H new ATOM 0 HD1 TRP C 54 6.476 -1.219 -5.959 1.00 0.00 H new ATOM 0 HE1 TRP C 54 5.189 -3.151 -4.793 1.00 0.00 H new ATOM 0 HE3 TRP C 54 2.254 1.327 -4.942 1.00 0.00 H new ATOM 0 HZ2 TRP C 54 2.601 -3.454 -3.605 1.00 0.00 H new ATOM 0 HZ3 TRP C 54 0.403 0.210 -3.824 1.00 0.00 H new ATOM 0 HH2 TRP C 54 0.567 -2.151 -3.153 1.00 0.00 H new ATOM 818 N GLY C 55 2.273 2.215 -7.049 1.00 0.00 N ATOM 819 CA GLY C 55 1.275 3.250 -6.955 1.00 0.00 C ATOM 820 C GLY C 55 0.006 2.872 -6.221 1.00 0.00 C ATOM 821 O GLY C 55 -0.250 1.707 -5.927 1.00 0.00 O ATOM 0 H GLY C 55 1.981 1.288 -6.739 1.00 0.00 H new ATOM 0 HA2 GLY C 55 1.718 4.113 -6.457 1.00 0.00 H new ATOM 0 HA3 GLY C 55 1.009 3.566 -7.964 1.00 0.00 H new ATOM 825 N ILE C 56 -0.779 3.895 -5.914 1.00 0.00 N ATOM 826 CA ILE C 56 -2.089 3.713 -5.294 1.00 0.00 C ATOM 827 C ILE C 56 -3.189 4.408 -6.087 1.00 0.00 C ATOM 828 O ILE C 56 -3.092 5.600 -6.397 1.00 0.00 O ATOM 829 CB ILE C 56 -2.102 4.235 -3.846 1.00 0.00 C ATOM 830 CG1 ILE C 56 -1.142 3.403 -3.020 1.00 0.00 C ATOM 831 CG2 ILE C 56 -3.506 4.178 -3.258 1.00 0.00 C ATOM 832 CD1 ILE C 56 -0.968 3.886 -1.600 1.00 0.00 C ATOM 0 H ILE C 56 -0.530 4.869 -6.085 1.00 0.00 H new ATOM 0 HA ILE C 56 -2.283 2.640 -5.289 1.00 0.00 H new ATOM 0 HB ILE C 56 -1.787 5.278 -3.835 1.00 0.00 H new ATOM 0 HG12 ILE C 56 -1.496 2.372 -3.000 1.00 0.00 H new ATOM 0 HG13 ILE C 56 -0.169 3.396 -3.511 1.00 0.00 H new ATOM 0 HG21 ILE C 56 -3.487 4.552 -2.234 1.00 0.00 H new ATOM 0 HG22 ILE C 56 -4.177 4.794 -3.857 1.00 0.00 H new ATOM 0 HG23 ILE C 56 -3.860 3.147 -3.261 1.00 0.00 H new ATOM 0 HD11 ILE C 56 -0.266 3.236 -1.078 1.00 0.00 H new ATOM 0 HD12 ILE C 56 -0.582 4.906 -1.607 1.00 0.00 H new ATOM 0 HD13 ILE C 56 -1.930 3.866 -1.088 1.00 0.00 H new ATOM 844 N PHE C 57 -4.235 3.650 -6.398 1.00 0.00 N ATOM 845 CA PHE C 57 -5.370 4.158 -7.152 1.00 0.00 C ATOM 846 C PHE C 57 -6.659 3.962 -6.360 1.00 0.00 C ATOM 847 O PHE C 57 -7.110 2.835 -6.160 1.00 0.00 O ATOM 848 CB PHE C 57 -5.496 3.434 -8.498 1.00 0.00 C ATOM 849 CG PHE C 57 -4.220 3.356 -9.283 1.00 0.00 C ATOM 850 CD1 PHE C 57 -3.292 2.358 -9.023 1.00 0.00 C ATOM 851 CD2 PHE C 57 -3.950 4.272 -10.284 1.00 0.00 C ATOM 852 CE1 PHE C 57 -2.119 2.280 -9.743 1.00 0.00 C ATOM 853 CE2 PHE C 57 -2.777 4.196 -11.009 1.00 0.00 C ATOM 854 CZ PHE C 57 -1.861 3.200 -10.737 1.00 0.00 C ATOM 0 H PHE C 57 -4.318 2.668 -6.134 1.00 0.00 H new ATOM 0 HA PHE C 57 -5.206 5.221 -7.331 1.00 0.00 H new ATOM 0 HB2 PHE C 57 -5.861 2.422 -8.320 1.00 0.00 H new ATOM 0 HB3 PHE C 57 -6.248 3.942 -9.101 1.00 0.00 H new ATOM 0 HD1 PHE C 57 -3.491 1.633 -8.247 1.00 0.00 H new ATOM 0 HD2 PHE C 57 -4.663 5.054 -10.500 1.00 0.00 H new ATOM 0 HE1 PHE C 57 -1.404 1.500 -9.529 1.00 0.00 H new ATOM 0 HE2 PHE C 57 -2.576 4.916 -11.789 1.00 0.00 H new ATOM 0 HZ PHE C 57 -0.943 3.141 -11.302 1.00 0.00 H new ATOM 864 N VAL C 58 -7.252 5.049 -5.905 1.00 0.00 N ATOM 865 CA VAL C 58 -8.520 4.978 -5.200 1.00 0.00 C ATOM 866 C VAL C 58 -9.644 5.453 -6.113 1.00 0.00 C ATOM 867 O VAL C 58 -9.545 6.512 -6.727 1.00 0.00 O ATOM 868 CB VAL C 58 -8.508 5.810 -3.895 1.00 0.00 C ATOM 869 CG1 VAL C 58 -8.370 7.298 -4.179 1.00 0.00 C ATOM 870 CG2 VAL C 58 -9.761 5.544 -3.079 1.00 0.00 C ATOM 0 H VAL C 58 -6.877 5.992 -6.010 1.00 0.00 H new ATOM 0 HA VAL C 58 -8.686 3.938 -4.921 1.00 0.00 H new ATOM 0 HB VAL C 58 -7.638 5.499 -3.317 1.00 0.00 H new ATOM 0 HG11 VAL C 58 -8.365 7.849 -3.239 1.00 0.00 H new ATOM 0 HG12 VAL C 58 -7.437 7.482 -4.712 1.00 0.00 H new ATOM 0 HG13 VAL C 58 -9.209 7.631 -4.791 1.00 0.00 H new ATOM 0 HG21 VAL C 58 -9.733 6.138 -2.166 1.00 0.00 H new ATOM 0 HG22 VAL C 58 -10.640 5.817 -3.663 1.00 0.00 H new ATOM 0 HG23 VAL C 58 -9.810 4.486 -2.822 1.00 0.00 H new ATOM 880 N ASN C 59 -10.687 4.639 -6.237 1.00 0.00 N ATOM 881 CA ASN C 59 -11.846 4.981 -7.066 1.00 0.00 C ATOM 882 C ASN C 59 -11.438 5.321 -8.502 1.00 0.00 C ATOM 883 O ASN C 59 -12.143 6.051 -9.199 1.00 0.00 O ATOM 884 CB ASN C 59 -12.612 6.162 -6.459 1.00 0.00 C ATOM 885 CG ASN C 59 -13.122 5.882 -5.060 1.00 0.00 C ATOM 886 OD1 ASN C 59 -13.422 4.741 -4.707 1.00 0.00 O ATOM 887 ND2 ASN C 59 -13.219 6.925 -4.250 1.00 0.00 N ATOM 0 H ASN C 59 -10.757 3.733 -5.773 1.00 0.00 H new ATOM 0 HA ASN C 59 -12.491 4.103 -7.093 1.00 0.00 H new ATOM 0 HB2 ASN C 59 -11.961 7.036 -6.434 1.00 0.00 H new ATOM 0 HB3 ASN C 59 -13.455 6.411 -7.104 1.00 0.00 H new ATOM 0 HD21 ASN C 59 -13.553 6.799 -3.294 1.00 0.00 H new ATOM 0 HD22 ASN C 59 -12.960 7.854 -4.582 1.00 0.00 H new ATOM 894 N GLY C 60 -10.296 4.801 -8.935 1.00 0.00 N ATOM 895 CA GLY C 60 -9.826 5.046 -10.286 1.00 0.00 C ATOM 896 C GLY C 60 -9.015 6.328 -10.425 1.00 0.00 C ATOM 897 O GLY C 60 -8.995 6.933 -11.497 1.00 0.00 O ATOM 0 H GLY C 60 -9.684 4.211 -8.372 1.00 0.00 H new ATOM 0 HA2 GLY C 60 -9.215 4.203 -10.608 1.00 0.00 H new ATOM 0 HA3 GLY C 60 -10.683 5.093 -10.957 1.00 0.00 H new ATOM 901 N GLU C 61 -8.357 6.753 -9.350 1.00 0.00 N ATOM 902 CA GLU C 61 -7.476 7.919 -9.405 1.00 0.00 C ATOM 903 C GLU C 61 -6.263 7.704 -8.501 1.00 0.00 C ATOM 904 O GLU C 61 -6.340 6.992 -7.504 1.00 0.00 O ATOM 905 CB GLU C 61 -8.229 9.185 -8.985 1.00 0.00 C ATOM 906 CG GLU C 61 -8.505 9.265 -7.496 1.00 0.00 C ATOM 907 CD GLU C 61 -9.504 10.342 -7.144 1.00 0.00 C ATOM 908 OE1 GLU C 61 -9.080 11.427 -6.698 1.00 0.00 O ATOM 909 OE2 GLU C 61 -10.720 10.114 -7.319 1.00 0.00 O1- ATOM 0 H GLU C 61 -8.416 6.310 -8.433 1.00 0.00 H new ATOM 0 HA GLU C 61 -7.135 8.046 -10.432 1.00 0.00 H new ATOM 0 HB2 GLU C 61 -7.650 10.058 -9.285 1.00 0.00 H new ATOM 0 HB3 GLU C 61 -9.175 9.230 -9.524 1.00 0.00 H new ATOM 0 HG2 GLU C 61 -8.878 8.302 -7.148 1.00 0.00 H new ATOM 0 HG3 GLU C 61 -7.571 9.455 -6.967 1.00 0.00 H new ATOM 916 N LYS C 62 -5.148 8.320 -8.856 1.00 0.00 N ATOM 917 CA LYS C 62 -3.907 8.149 -8.112 1.00 0.00 C ATOM 918 C LYS C 62 -3.854 9.064 -6.896 1.00 0.00 C ATOM 919 O LYS C 62 -4.238 10.234 -6.970 1.00 0.00 O ATOM 920 CB LYS C 62 -2.709 8.443 -9.011 1.00 0.00 C ATOM 921 CG LYS C 62 -2.535 7.455 -10.152 1.00 0.00 C ATOM 922 CD LYS C 62 -1.240 7.697 -10.917 1.00 0.00 C ATOM 923 CE LYS C 62 -1.196 9.083 -11.543 1.00 0.00 C ATOM 924 NZ LYS C 62 -2.267 9.275 -12.556 1.00 0.00 N1+ ATOM 0 H LYS C 62 -5.075 8.946 -9.658 1.00 0.00 H new ATOM 0 HA LYS C 62 -3.871 7.115 -7.770 1.00 0.00 H new ATOM 0 HB2 LYS C 62 -2.816 9.445 -9.425 1.00 0.00 H new ATOM 0 HB3 LYS C 62 -1.804 8.444 -8.404 1.00 0.00 H new ATOM 0 HG2 LYS C 62 -2.539 6.439 -9.757 1.00 0.00 H new ATOM 0 HG3 LYS C 62 -3.381 7.535 -10.835 1.00 0.00 H new ATOM 0 HD2 LYS C 62 -0.393 7.578 -10.242 1.00 0.00 H new ATOM 0 HD3 LYS C 62 -1.134 6.944 -11.698 1.00 0.00 H new ATOM 0 HE2 LYS C 62 -1.298 9.836 -10.762 1.00 0.00 H new ATOM 0 HE3 LYS C 62 -0.224 9.238 -12.011 1.00 0.00 H new ATOM 0 HZ1 LYS C 62 -2.128 10.185 -13.040 1.00 0.00 H new ATOM 0 HZ2 LYS C 62 -2.229 8.503 -13.252 1.00 0.00 H new ATOM 0 HZ3 LYS C 62 -3.195 9.271 -12.086 1.00 0.00 H new ATOM 938 N VAL C 63 -3.381 8.527 -5.777 1.00 0.00 N ATOM 939 CA VAL C 63 -3.175 9.333 -4.580 1.00 0.00 C ATOM 940 C VAL C 63 -1.686 9.463 -4.286 1.00 0.00 C ATOM 941 O VAL C 63 -1.225 10.497 -3.801 1.00 0.00 O ATOM 942 CB VAL C 63 -3.898 8.747 -3.335 1.00 0.00 C ATOM 943 CG1 VAL C 63 -5.245 8.179 -3.722 1.00 0.00 C ATOM 944 CG2 VAL C 63 -3.066 7.688 -2.632 1.00 0.00 C ATOM 0 H VAL C 63 -3.134 7.543 -5.674 1.00 0.00 H new ATOM 0 HA VAL C 63 -3.606 10.314 -4.781 1.00 0.00 H new ATOM 0 HB VAL C 63 -4.042 9.569 -2.633 1.00 0.00 H new ATOM 0 HG11 VAL C 63 -5.736 7.773 -2.838 1.00 0.00 H new ATOM 0 HG12 VAL C 63 -5.863 8.968 -4.151 1.00 0.00 H new ATOM 0 HG13 VAL C 63 -5.108 7.386 -4.457 1.00 0.00 H new ATOM 0 HG21 VAL C 63 -3.613 7.309 -1.769 1.00 0.00 H new ATOM 0 HG22 VAL C 63 -2.862 6.868 -3.321 1.00 0.00 H new ATOM 0 HG23 VAL C 63 -2.124 8.126 -2.301 1.00 0.00 H new ATOM 954 N TYR C 64 -0.934 8.421 -4.616 1.00 0.00 N ATOM 955 CA TYR C 64 0.469 8.354 -4.261 1.00 0.00 C ATOM 956 C TYR C 64 1.176 7.313 -5.118 1.00 0.00 C ATOM 957 O TYR C 64 0.650 6.227 -5.351 1.00 0.00 O ATOM 958 CB TYR C 64 0.592 8.000 -2.774 1.00 0.00 C ATOM 959 CG TYR C 64 1.997 8.050 -2.219 1.00 0.00 C ATOM 960 CD1 TYR C 64 2.687 6.883 -1.921 1.00 0.00 C ATOM 961 CD2 TYR C 64 2.623 9.264 -1.972 1.00 0.00 C ATOM 962 CE1 TYR C 64 3.963 6.923 -1.393 1.00 0.00 C ATOM 963 CE2 TYR C 64 3.900 9.313 -1.448 1.00 0.00 C ATOM 964 CZ TYR C 64 4.566 8.142 -1.159 1.00 0.00 C ATOM 965 OH TYR C 64 5.838 8.189 -0.630 1.00 0.00 O ATOM 0 H TYR C 64 -1.278 7.610 -5.131 1.00 0.00 H new ATOM 0 HA TYR C 64 0.941 9.320 -4.441 1.00 0.00 H new ATOM 0 HB2 TYR C 64 -0.034 8.684 -2.200 1.00 0.00 H new ATOM 0 HB3 TYR C 64 0.192 6.998 -2.620 1.00 0.00 H new ATOM 0 HD1 TYR C 64 2.218 5.928 -2.105 1.00 0.00 H new ATOM 0 HD2 TYR C 64 2.103 10.185 -2.193 1.00 0.00 H new ATOM 0 HE1 TYR C 64 4.485 6.006 -1.165 1.00 0.00 H new ATOM 0 HE2 TYR C 64 4.375 10.266 -1.265 1.00 0.00 H new ATOM 0 HH TYR C 64 6.116 9.123 -0.529 1.00 0.00 H new ATOM 975 N THR C 65 2.346 7.671 -5.608 1.00 0.00 N ATOM 976 CA THR C 65 3.184 6.762 -6.367 1.00 0.00 C ATOM 977 C THR C 65 4.554 6.691 -5.689 1.00 0.00 C ATOM 978 O THR C 65 5.028 7.707 -5.176 1.00 0.00 O ATOM 979 CB THR C 65 3.334 7.264 -7.824 1.00 0.00 C ATOM 980 OG1 THR C 65 2.053 7.277 -8.471 1.00 0.00 O ATOM 981 CG2 THR C 65 4.302 6.412 -8.628 1.00 0.00 C ATOM 0 H THR C 65 2.744 8.603 -5.491 1.00 0.00 H new ATOM 0 HA THR C 65 2.730 5.771 -6.395 1.00 0.00 H new ATOM 0 HB THR C 65 3.741 8.274 -7.779 1.00 0.00 H new ATOM 0 HG1 THR C 65 2.155 7.597 -9.392 1.00 0.00 H new ATOM 0 HG21 THR C 65 4.374 6.803 -9.643 1.00 0.00 H new ATOM 0 HG22 THR C 65 5.285 6.437 -8.159 1.00 0.00 H new ATOM 0 HG23 THR C 65 3.942 5.384 -8.660 1.00 0.00 H new ATOM 989 N PHE C 66 5.187 5.521 -5.654 1.00 0.00 N ATOM 990 CA PHE C 66 6.462 5.404 -4.953 1.00 0.00 C ATOM 991 C PHE C 66 7.345 4.298 -5.523 1.00 0.00 C ATOM 992 O PHE C 66 6.994 3.639 -6.502 1.00 0.00 O ATOM 993 CB PHE C 66 6.229 5.184 -3.452 1.00 0.00 C ATOM 994 CG PHE C 66 5.579 3.875 -3.075 1.00 0.00 C ATOM 995 CD1 PHE C 66 4.213 3.800 -2.854 1.00 0.00 C ATOM 996 CD2 PHE C 66 6.344 2.730 -2.904 1.00 0.00 C ATOM 997 CE1 PHE C 66 3.624 2.611 -2.470 1.00 0.00 C ATOM 998 CE2 PHE C 66 5.759 1.537 -2.528 1.00 0.00 C ATOM 999 CZ PHE C 66 4.398 1.478 -2.308 1.00 0.00 C ATOM 0 H PHE C 66 4.850 4.663 -6.090 1.00 0.00 H new ATOM 0 HA PHE C 66 6.994 6.344 -5.101 1.00 0.00 H new ATOM 0 HB2 PHE C 66 7.189 5.252 -2.940 1.00 0.00 H new ATOM 0 HB3 PHE C 66 5.609 5.998 -3.076 1.00 0.00 H new ATOM 0 HD1 PHE C 66 3.602 4.681 -2.983 1.00 0.00 H new ATOM 0 HD2 PHE C 66 7.411 2.772 -3.067 1.00 0.00 H new ATOM 0 HE1 PHE C 66 2.559 2.567 -2.296 1.00 0.00 H new ATOM 0 HE2 PHE C 66 6.366 0.652 -2.406 1.00 0.00 H new ATOM 0 HZ PHE C 66 3.938 0.547 -2.010 1.00 0.00 H new ATOM 1009 N ASN C 67 8.502 4.121 -4.894 1.00 0.00 N ATOM 1010 CA ASN C 67 9.486 3.131 -5.308 1.00 0.00 C ATOM 1011 C ASN C 67 9.826 2.213 -4.141 1.00 0.00 C ATOM 1012 O ASN C 67 10.131 2.679 -3.044 1.00 0.00 O ATOM 1013 CB ASN C 67 10.757 3.832 -5.798 1.00 0.00 C ATOM 1014 CG ASN C 67 10.556 4.594 -7.100 1.00 0.00 C ATOM 1015 OD1 ASN C 67 11.181 5.629 -7.327 1.00 0.00 O ATOM 1016 ND2 ASN C 67 9.696 4.089 -7.970 1.00 0.00 N ATOM 0 H ASN C 67 8.784 4.664 -4.078 1.00 0.00 H new ATOM 0 HA ASN C 67 9.067 2.537 -6.120 1.00 0.00 H new ATOM 0 HB2 ASN C 67 11.103 4.523 -5.029 1.00 0.00 H new ATOM 0 HB3 ASN C 67 11.543 3.090 -5.936 1.00 0.00 H new ATOM 0 HD21 ASN C 67 9.535 4.560 -8.860 1.00 0.00 H new ATOM 0 HD22 ASN C 67 9.194 3.229 -7.750 1.00 0.00 H new ATOM 1023 N GLU C 68 9.781 0.908 -4.391 1.00 0.00 N ATOM 1024 CA GLU C 68 9.986 -0.095 -3.338 1.00 0.00 C ATOM 1025 C GLU C 68 11.377 -0.040 -2.710 1.00 0.00 C ATOM 1026 O GLU C 68 11.571 -0.497 -1.586 1.00 0.00 O ATOM 1027 CB GLU C 68 9.731 -1.503 -3.876 1.00 0.00 C ATOM 1028 CG GLU C 68 8.264 -1.886 -3.901 1.00 0.00 C ATOM 1029 CD GLU C 68 8.029 -3.261 -4.499 1.00 0.00 C ATOM 1030 OE1 GLU C 68 8.089 -3.391 -5.737 1.00 0.00 O ATOM 1031 OE2 GLU C 68 7.778 -4.216 -3.732 1.00 0.00 O1- ATOM 0 H GLU C 68 9.604 0.514 -5.315 1.00 0.00 H new ATOM 0 HA GLU C 68 9.267 0.146 -2.555 1.00 0.00 H new ATOM 0 HB2 GLU C 68 10.134 -1.576 -4.886 1.00 0.00 H new ATOM 0 HB3 GLU C 68 10.275 -2.221 -3.263 1.00 0.00 H new ATOM 0 HG2 GLU C 68 7.869 -1.864 -2.885 1.00 0.00 H new ATOM 0 HG3 GLU C 68 7.709 -1.145 -4.475 1.00 0.00 H new ATOM 1038 N LYS C 69 12.348 0.512 -3.416 1.00 0.00 N ATOM 1039 CA LYS C 69 13.709 0.544 -2.898 1.00 0.00 C ATOM 1040 C LYS C 69 13.899 1.681 -1.900 1.00 0.00 C ATOM 1041 O LYS C 69 15.001 1.885 -1.388 1.00 0.00 O ATOM 1042 CB LYS C 69 14.722 0.662 -4.032 1.00 0.00 C ATOM 1043 CG LYS C 69 14.588 1.938 -4.836 1.00 0.00 C ATOM 1044 CD LYS C 69 15.387 1.854 -6.130 1.00 0.00 C ATOM 1045 CE LYS C 69 16.887 1.868 -5.876 1.00 0.00 C ATOM 1046 NZ LYS C 69 17.340 3.143 -5.259 1.00 0.00 N1+ ATOM 0 H LYS C 69 12.226 0.938 -4.335 1.00 0.00 H new ATOM 0 HA LYS C 69 13.880 -0.397 -2.376 1.00 0.00 H new ATOM 0 HB2 LYS C 69 15.728 0.609 -3.616 1.00 0.00 H new ATOM 0 HB3 LYS C 69 14.608 -0.192 -4.700 1.00 0.00 H new ATOM 0 HG2 LYS C 69 13.538 2.120 -5.064 1.00 0.00 H new ATOM 0 HG3 LYS C 69 14.937 2.784 -4.243 1.00 0.00 H new ATOM 0 HD2 LYS C 69 15.118 0.942 -6.663 1.00 0.00 H new ATOM 0 HD3 LYS C 69 15.121 2.691 -6.775 1.00 0.00 H new ATOM 0 HE2 LYS C 69 17.151 1.036 -5.223 1.00 0.00 H new ATOM 0 HE3 LYS C 69 17.415 1.714 -6.817 1.00 0.00 H new ATOM 0 HZ1 LYS C 69 18.373 3.225 -5.350 1.00 0.00 H new ATOM 0 HZ2 LYS C 69 16.885 3.944 -5.742 1.00 0.00 H new ATOM 0 HZ3 LYS C 69 17.080 3.153 -4.252 1.00 0.00 H new ATOM 1060 N SER C 70 12.836 2.421 -1.623 1.00 0.00 N ATOM 1061 CA SER C 70 12.901 3.459 -0.619 1.00 0.00 C ATOM 1062 C SER C 70 12.596 2.850 0.755 1.00 0.00 C ATOM 1063 O SER C 70 12.346 1.646 0.855 1.00 0.00 O ATOM 1064 CB SER C 70 11.916 4.580 -0.950 1.00 0.00 C ATOM 1065 OG SER C 70 12.215 5.162 -2.210 1.00 0.00 O ATOM 0 H SER C 70 11.928 2.320 -2.077 1.00 0.00 H new ATOM 0 HA SER C 70 13.902 3.889 -0.602 1.00 0.00 H new ATOM 0 HB2 SER C 70 10.900 4.186 -0.959 1.00 0.00 H new ATOM 0 HB3 SER C 70 11.954 5.344 -0.174 1.00 0.00 H new ATOM 0 HG SER C 70 11.571 5.875 -2.402 1.00 0.00 H new ATOM 1071 N THR C 71 12.602 3.658 1.809 1.00 0.00 N ATOM 1072 CA THR C 71 12.274 3.157 3.123 1.00 0.00 C ATOM 1073 C THR C 71 10.767 3.008 3.230 1.00 0.00 C ATOM 1074 O THR C 71 10.026 3.984 3.104 1.00 0.00 O ATOM 1075 CB THR C 71 12.798 4.088 4.232 1.00 0.00 C ATOM 1076 OG1 THR C 71 12.413 5.440 3.959 1.00 0.00 O ATOM 1077 CG2 THR C 71 14.312 4.001 4.348 1.00 0.00 C ATOM 0 H THR C 71 12.829 4.652 1.773 1.00 0.00 H new ATOM 0 HA THR C 71 12.756 2.189 3.258 1.00 0.00 H new ATOM 0 HB THR C 71 12.360 3.768 5.178 1.00 0.00 H new ATOM 0 HG1 THR C 71 12.748 6.026 4.670 1.00 0.00 H new ATOM 0 HG21 THR C 71 14.655 4.668 5.138 1.00 0.00 H new ATOM 0 HG22 THR C 71 14.600 2.977 4.587 1.00 0.00 H new ATOM 0 HG23 THR C 71 14.767 4.295 3.402 1.00 0.00 H new ATOM 1085 N VAL C 72 10.314 1.782 3.441 1.00 0.00 N ATOM 1086 CA VAL C 72 8.892 1.485 3.421 1.00 0.00 C ATOM 1087 C VAL C 72 8.171 2.204 4.554 1.00 0.00 C ATOM 1088 O VAL C 72 6.951 2.313 4.554 1.00 0.00 O ATOM 1089 CB VAL C 72 8.619 -0.034 3.493 1.00 0.00 C ATOM 1090 CG1 VAL C 72 7.252 -0.359 2.917 1.00 0.00 C ATOM 1091 CG2 VAL C 72 9.695 -0.814 2.757 1.00 0.00 C ATOM 0 H VAL C 72 10.912 0.977 3.628 1.00 0.00 H new ATOM 0 HA VAL C 72 8.503 1.848 2.470 1.00 0.00 H new ATOM 0 HB VAL C 72 8.637 -0.329 4.542 1.00 0.00 H new ATOM 0 HG11 VAL C 72 7.078 -1.433 2.977 1.00 0.00 H new ATOM 0 HG12 VAL C 72 6.484 0.165 3.486 1.00 0.00 H new ATOM 0 HG13 VAL C 72 7.212 -0.042 1.875 1.00 0.00 H new ATOM 0 HG21 VAL C 72 9.480 -1.881 2.822 1.00 0.00 H new ATOM 0 HG22 VAL C 72 9.712 -0.511 1.710 1.00 0.00 H new ATOM 0 HG23 VAL C 72 10.666 -0.611 3.210 1.00 0.00 H new ATOM 1101 N GLY C 73 8.933 2.739 5.492 1.00 0.00 N ATOM 1102 CA GLY C 73 8.334 3.476 6.589 1.00 0.00 C ATOM 1103 C GLY C 73 8.016 4.889 6.183 1.00 0.00 C ATOM 1104 O GLY C 73 6.952 5.413 6.516 1.00 0.00 O ATOM 0 H GLY C 73 9.951 2.679 5.517 1.00 0.00 H new ATOM 0 HA2 GLY C 73 7.423 2.974 6.914 1.00 0.00 H new ATOM 0 HA3 GLY C 73 9.014 3.483 7.440 1.00 0.00 H new ATOM 1108 N ASN C 74 8.929 5.506 5.445 1.00 0.00 N ATOM 1109 CA ASN C 74 8.654 6.800 4.850 1.00 0.00 C ATOM 1110 C ASN C 74 7.536 6.649 3.835 1.00 0.00 C ATOM 1111 O ASN C 74 6.704 7.531 3.674 1.00 0.00 O ATOM 1112 CB ASN C 74 9.900 7.378 4.178 1.00 0.00 C ATOM 1113 CG ASN C 74 10.822 8.101 5.144 1.00 0.00 C ATOM 1114 OD1 ASN C 74 10.877 7.650 6.389 1.00 0.00 O flip ATOM 1115 ND2 ASN C 74 11.491 9.063 4.768 1.00 0.00 N flip ATOM 0 H ASN C 74 9.857 5.133 5.247 1.00 0.00 H new ATOM 0 HA ASN C 74 8.352 7.491 5.637 1.00 0.00 H new ATOM 0 HB2 ASN C 74 10.451 6.571 3.695 1.00 0.00 H new ATOM 0 HB3 ASN C 74 9.593 8.069 3.393 1.00 0.00 H new ATOM 0 HD21 ASN C 74 11.424 9.384 3.802 1.00 0.00 H new ATOM 0 HD22 ASN C 74 12.112 9.539 5.422 1.00 0.00 H new ATOM 1122 N ILE C 75 7.519 5.502 3.173 1.00 0.00 N ATOM 1123 CA ILE C 75 6.482 5.188 2.206 1.00 0.00 C ATOM 1124 C ILE C 75 5.110 5.059 2.877 1.00 0.00 C ATOM 1125 O ILE C 75 4.243 5.910 2.687 1.00 0.00 O ATOM 1126 CB ILE C 75 6.799 3.881 1.440 1.00 0.00 C ATOM 1127 CG1 ILE C 75 8.076 4.035 0.601 1.00 0.00 C ATOM 1128 CG2 ILE C 75 5.625 3.484 0.558 1.00 0.00 C ATOM 1129 CD1 ILE C 75 8.474 2.774 -0.138 1.00 0.00 C ATOM 0 H ILE C 75 8.218 4.769 3.290 1.00 0.00 H new ATOM 0 HA ILE C 75 6.454 6.016 1.498 1.00 0.00 H new ATOM 0 HB ILE C 75 6.967 3.090 2.171 1.00 0.00 H new ATOM 0 HG12 ILE C 75 7.931 4.838 -0.121 1.00 0.00 H new ATOM 0 HG13 ILE C 75 8.895 4.337 1.254 1.00 0.00 H new ATOM 0 HG21 ILE C 75 5.864 2.563 0.026 1.00 0.00 H new ATOM 0 HG22 ILE C 75 4.742 3.327 1.177 1.00 0.00 H new ATOM 0 HG23 ILE C 75 5.426 4.278 -0.162 1.00 0.00 H new ATOM 0 HD11 ILE C 75 9.384 2.959 -0.709 1.00 0.00 H new ATOM 0 HD12 ILE C 75 8.652 1.973 0.579 1.00 0.00 H new ATOM 0 HD13 ILE C 75 7.673 2.482 -0.817 1.00 0.00 H new ATOM 1141 N SER C 76 4.935 4.008 3.679 1.00 0.00 N ATOM 1142 CA SER C 76 3.614 3.645 4.200 1.00 0.00 C ATOM 1143 C SER C 76 2.947 4.771 4.961 1.00 0.00 C ATOM 1144 O SER C 76 1.837 5.175 4.644 1.00 0.00 O ATOM 1145 CB SER C 76 3.695 2.431 5.117 1.00 0.00 C ATOM 1146 OG SER C 76 4.551 1.435 4.585 1.00 0.00 O ATOM 0 H SER C 76 5.690 3.393 3.982 1.00 0.00 H new ATOM 0 HA SER C 76 3.011 3.417 3.321 1.00 0.00 H new ATOM 0 HB2 SER C 76 4.058 2.738 6.098 1.00 0.00 H new ATOM 0 HB3 SER C 76 2.698 2.016 5.262 1.00 0.00 H new ATOM 0 HG SER C 76 5.484 1.679 4.758 1.00 0.00 H new ATOM 1152 N ASN C 77 3.620 5.270 5.964 1.00 0.00 N ATOM 1153 CA ASN C 77 2.978 6.203 6.882 1.00 0.00 C ATOM 1154 C ASN C 77 2.826 7.612 6.308 1.00 0.00 C ATOM 1155 O ASN C 77 2.064 8.414 6.848 1.00 0.00 O ATOM 1156 CB ASN C 77 3.644 6.200 8.256 1.00 0.00 C ATOM 1157 CG ASN C 77 3.312 4.938 9.040 1.00 0.00 C ATOM 1158 OD1 ASN C 77 2.112 4.412 8.823 1.00 0.00 O flip ATOM 1159 ND2 ASN C 77 4.118 4.450 9.831 1.00 0.00 N flip ATOM 0 H ASN C 77 4.596 5.058 6.173 1.00 0.00 H new ATOM 0 HA ASN C 77 1.961 5.837 7.020 1.00 0.00 H new ATOM 0 HB2 ASN C 77 4.724 6.281 8.137 1.00 0.00 H new ATOM 0 HB3 ASN C 77 3.319 7.075 8.820 1.00 0.00 H new ATOM 0 HD21 ASN C 77 5.029 4.888 9.966 1.00 0.00 H new ATOM 0 HD22 ASN C 77 3.875 3.607 10.352 1.00 0.00 H new ATOM 1166 N ASP C 78 3.530 7.933 5.224 1.00 0.00 N ATOM 1167 CA ASP C 78 3.204 9.153 4.482 1.00 0.00 C ATOM 1168 C ASP C 78 1.849 8.975 3.832 1.00 0.00 C ATOM 1169 O ASP C 78 1.029 9.890 3.810 1.00 0.00 O ATOM 1170 CB ASP C 78 4.233 9.483 3.406 1.00 0.00 C ATOM 1171 CG ASP C 78 5.459 10.198 3.951 1.00 0.00 C ATOM 1172 OD1 ASP C 78 5.718 10.110 5.171 1.00 0.00 O ATOM 1173 OD2 ASP C 78 6.174 10.850 3.160 1.00 0.00 O1- ATOM 0 H ASP C 78 4.305 7.387 4.848 1.00 0.00 H new ATOM 0 HA ASP C 78 3.202 9.981 5.191 1.00 0.00 H new ATOM 0 HB2 ASP C 78 4.546 8.561 2.916 1.00 0.00 H new ATOM 0 HB3 ASP C 78 3.765 10.106 2.644 1.00 0.00 H new ATOM 1178 N ILE C 79 1.623 7.765 3.326 1.00 0.00 N ATOM 1179 CA ILE C 79 0.330 7.371 2.781 1.00 0.00 C ATOM 1180 C ILE C 79 -0.745 7.503 3.855 1.00 0.00 C ATOM 1181 O ILE C 79 -1.927 7.703 3.567 1.00 0.00 O ATOM 1182 CB ILE C 79 0.366 5.912 2.270 1.00 0.00 C ATOM 1183 CG1 ILE C 79 1.475 5.738 1.233 1.00 0.00 C ATOM 1184 CG2 ILE C 79 -0.978 5.510 1.683 1.00 0.00 C ATOM 1185 CD1 ILE C 79 1.703 4.298 0.825 1.00 0.00 C ATOM 0 H ILE C 79 2.331 7.032 3.283 1.00 0.00 H new ATOM 0 HA ILE C 79 0.099 8.029 1.943 1.00 0.00 H new ATOM 0 HB ILE C 79 0.575 5.259 3.118 1.00 0.00 H new ATOM 0 HG12 ILE C 79 1.228 6.323 0.347 1.00 0.00 H new ATOM 0 HG13 ILE C 79 2.403 6.144 1.634 1.00 0.00 H new ATOM 0 HG21 ILE C 79 -0.928 4.480 1.330 1.00 0.00 H new ATOM 0 HG22 ILE C 79 -1.749 5.594 2.449 1.00 0.00 H new ATOM 0 HG23 ILE C 79 -1.222 6.168 0.849 1.00 0.00 H new ATOM 0 HD11 ILE C 79 2.504 4.251 0.087 1.00 0.00 H new ATOM 0 HD12 ILE C 79 1.982 3.712 1.701 1.00 0.00 H new ATOM 0 HD13 ILE C 79 0.788 3.893 0.393 1.00 0.00 H new ATOM 1197 N ASN C 80 -0.314 7.414 5.100 1.00 0.00 N ATOM 1198 CA ASN C 80 -1.224 7.507 6.223 1.00 0.00 C ATOM 1199 C ASN C 80 -1.568 8.943 6.543 1.00 0.00 C ATOM 1200 O ASN C 80 -2.677 9.227 6.973 1.00 0.00 O ATOM 1201 CB ASN C 80 -0.636 6.857 7.473 1.00 0.00 C ATOM 1202 CG ASN C 80 -0.554 5.351 7.396 1.00 0.00 C ATOM 1203 OD1 ASN C 80 -0.516 4.759 6.323 1.00 0.00 O ATOM 1204 ND2 ASN C 80 -0.486 4.724 8.555 1.00 0.00 N ATOM 0 H ASN C 80 0.663 7.277 5.358 1.00 0.00 H new ATOM 0 HA ASN C 80 -2.130 6.976 5.929 1.00 0.00 H new ATOM 0 HB2 ASN C 80 0.363 7.258 7.644 1.00 0.00 H new ATOM 0 HB3 ASN C 80 -1.242 7.135 8.335 1.00 0.00 H new ATOM 0 HD21 ASN C 80 -0.398 3.708 8.581 1.00 0.00 H new ATOM 0 HD22 ASN C 80 -0.521 5.255 9.425 1.00 0.00 H new ATOM 1211 N LYS C 81 -0.622 9.849 6.355 1.00 0.00 N ATOM 1212 CA LYS C 81 -0.899 11.261 6.569 1.00 0.00 C ATOM 1213 C LYS C 81 -2.071 11.664 5.692 1.00 0.00 C ATOM 1214 O LYS C 81 -2.961 12.401 6.107 1.00 0.00 O ATOM 1215 CB LYS C 81 0.326 12.119 6.240 1.00 0.00 C ATOM 1216 CG LYS C 81 1.580 11.723 7.006 1.00 0.00 C ATOM 1217 CD LYS C 81 1.376 11.772 8.515 1.00 0.00 C ATOM 1218 CE LYS C 81 1.081 13.181 9.007 1.00 0.00 C ATOM 1219 NZ LYS C 81 0.921 13.227 10.483 1.00 0.00 N1+ ATOM 0 H LYS C 81 0.331 9.637 6.059 1.00 0.00 H new ATOM 0 HA LYS C 81 -1.143 11.423 7.619 1.00 0.00 H new ATOM 0 HB2 LYS C 81 0.528 12.051 5.171 1.00 0.00 H new ATOM 0 HB3 LYS C 81 0.095 13.162 6.455 1.00 0.00 H new ATOM 0 HG2 LYS C 81 1.878 10.716 6.715 1.00 0.00 H new ATOM 0 HG3 LYS C 81 2.397 12.390 6.730 1.00 0.00 H new ATOM 0 HD2 LYS C 81 0.553 11.112 8.791 1.00 0.00 H new ATOM 0 HD3 LYS C 81 2.268 11.394 9.014 1.00 0.00 H new ATOM 0 HE2 LYS C 81 1.890 13.847 8.708 1.00 0.00 H new ATOM 0 HE3 LYS C 81 0.172 13.550 8.531 1.00 0.00 H new ATOM 0 HZ1 LYS C 81 0.721 14.203 10.780 1.00 0.00 H new ATOM 0 HZ2 LYS C 81 0.133 12.611 10.766 1.00 0.00 H new ATOM 0 HZ3 LYS C 81 1.797 12.899 10.938 1.00 0.00 H new ATOM 1233 N LEU C 82 -2.081 11.106 4.494 1.00 0.00 N ATOM 1234 CA LEU C 82 -3.116 11.372 3.511 1.00 0.00 C ATOM 1235 C LEU C 82 -4.504 11.070 4.078 1.00 0.00 C ATOM 1236 O LEU C 82 -5.454 11.801 3.803 1.00 0.00 O ATOM 1237 CB LEU C 82 -2.884 10.497 2.274 1.00 0.00 C ATOM 1238 CG LEU C 82 -1.417 10.255 1.893 1.00 0.00 C ATOM 1239 CD1 LEU C 82 -1.341 9.425 0.619 1.00 0.00 C ATOM 1240 CD2 LEU C 82 -0.682 11.574 1.705 1.00 0.00 C ATOM 0 H LEU C 82 -1.367 10.452 4.174 1.00 0.00 H new ATOM 0 HA LEU C 82 -3.068 12.428 3.244 1.00 0.00 H new ATOM 0 HB2 LEU C 82 -3.361 9.531 2.441 1.00 0.00 H new ATOM 0 HB3 LEU C 82 -3.389 10.959 1.426 1.00 0.00 H new ATOM 0 HG LEU C 82 -0.935 9.709 2.704 1.00 0.00 H new ATOM 0 HD11 LEU C 82 -0.297 9.258 0.355 1.00 0.00 H new ATOM 0 HD12 LEU C 82 -1.833 8.466 0.780 1.00 0.00 H new ATOM 0 HD13 LEU C 82 -1.839 9.957 -0.192 1.00 0.00 H new ATOM 0 HD21 LEU C 82 0.356 11.377 1.435 1.00 0.00 H new ATOM 0 HD22 LEU C 82 -1.161 12.147 0.911 1.00 0.00 H new ATOM 0 HD23 LEU C 82 -0.714 12.144 2.634 1.00 0.00 H new ATOM 1252 N ASN C 83 -4.582 10.025 4.909 1.00 0.00 N ATOM 1253 CA ASN C 83 -5.864 9.443 5.343 1.00 0.00 C ATOM 1254 C ASN C 83 -6.877 9.449 4.201 1.00 0.00 C ATOM 1255 O ASN C 83 -7.766 10.300 4.131 1.00 0.00 O ATOM 1256 CB ASN C 83 -6.420 10.132 6.591 1.00 0.00 C ATOM 1257 CG ASN C 83 -5.686 9.734 7.870 1.00 0.00 C ATOM 1258 OD1 ASN C 83 -5.099 8.533 7.911 1.00 0.00 O flip ATOM 1259 ND2 ASN C 83 -5.639 10.506 8.828 1.00 0.00 N flip ATOM 0 H ASN C 83 -3.764 9.558 5.300 1.00 0.00 H new ATOM 0 HA ASN C 83 -5.673 8.406 5.620 1.00 0.00 H new ATOM 0 HB2 ASN C 83 -6.354 11.212 6.462 1.00 0.00 H new ATOM 0 HB3 ASN C 83 -7.477 9.887 6.694 1.00 0.00 H new ATOM 0 HD21 ASN C 83 -6.095 11.417 8.772 1.00 0.00 H new ATOM 0 HD22 ASN C 83 -5.144 10.235 9.678 1.00 0.00 H new ATOM 1266 N ILE C 84 -6.722 8.475 3.320 1.00 0.00 N ATOM 1267 CA ILE C 84 -7.434 8.437 2.052 1.00 0.00 C ATOM 1268 C ILE C 84 -8.933 8.298 2.226 1.00 0.00 C ATOM 1269 O ILE C 84 -9.409 7.519 3.043 1.00 0.00 O ATOM 1270 CB ILE C 84 -6.944 7.267 1.192 1.00 0.00 C ATOM 1271 CG1 ILE C 84 -5.426 7.244 1.190 1.00 0.00 C ATOM 1272 CG2 ILE C 84 -7.481 7.377 -0.229 1.00 0.00 C ATOM 1273 CD1 ILE C 84 -4.847 6.144 0.326 1.00 0.00 C ATOM 0 H ILE C 84 -6.095 7.683 3.464 1.00 0.00 H new ATOM 0 HA ILE C 84 -7.227 9.389 1.564 1.00 0.00 H new ATOM 0 HB ILE C 84 -7.316 6.334 1.616 1.00 0.00 H new ATOM 0 HG12 ILE C 84 -5.055 8.207 0.838 1.00 0.00 H new ATOM 0 HG13 ILE C 84 -5.070 7.119 2.213 1.00 0.00 H new ATOM 0 HG21 ILE C 84 -7.120 6.536 -0.821 1.00 0.00 H new ATOM 0 HG22 ILE C 84 -8.571 7.365 -0.208 1.00 0.00 H new ATOM 0 HG23 ILE C 84 -7.137 8.309 -0.677 1.00 0.00 H new ATOM 0 HD11 ILE C 84 -3.759 6.183 0.368 1.00 0.00 H new ATOM 0 HD12 ILE C 84 -5.190 5.176 0.691 1.00 0.00 H new ATOM 0 HD13 ILE C 84 -5.175 6.280 -0.705 1.00 0.00 H new ATOM 1285 N LYS C 85 -9.657 9.053 1.429 1.00 0.00 N ATOM 1286 CA LYS C 85 -11.100 8.958 1.381 1.00 0.00 C ATOM 1287 C LYS C 85 -11.500 8.021 0.249 1.00 0.00 C ATOM 1288 O LYS C 85 -11.246 8.299 -0.925 1.00 0.00 O ATOM 1289 CB LYS C 85 -11.713 10.346 1.181 1.00 0.00 C ATOM 1290 CG LYS C 85 -11.227 11.048 -0.089 1.00 0.00 C ATOM 1291 CD LYS C 85 -10.783 12.476 0.189 1.00 0.00 C ATOM 1292 CE LYS C 85 -9.570 12.528 1.110 1.00 0.00 C ATOM 1293 NZ LYS C 85 -9.137 13.928 1.365 1.00 0.00 N1+ ATOM 0 H LYS C 85 -9.263 9.749 0.797 1.00 0.00 H new ATOM 0 HA LYS C 85 -11.474 8.558 2.323 1.00 0.00 H new ATOM 0 HB2 LYS C 85 -12.798 10.254 1.143 1.00 0.00 H new ATOM 0 HB3 LYS C 85 -11.476 10.968 2.044 1.00 0.00 H new ATOM 0 HG2 LYS C 85 -10.398 10.487 -0.520 1.00 0.00 H new ATOM 0 HG3 LYS C 85 -12.027 11.054 -0.830 1.00 0.00 H new ATOM 0 HD2 LYS C 85 -10.545 12.971 -0.752 1.00 0.00 H new ATOM 0 HD3 LYS C 85 -11.606 13.030 0.641 1.00 0.00 H new ATOM 0 HE2 LYS C 85 -9.809 12.042 2.056 1.00 0.00 H new ATOM 0 HE3 LYS C 85 -8.749 11.968 0.663 1.00 0.00 H new ATOM 0 HZ1 LYS C 85 -8.310 13.926 1.995 1.00 0.00 H new ATOM 0 HZ2 LYS C 85 -8.885 14.383 0.464 1.00 0.00 H new ATOM 0 HZ3 LYS C 85 -9.913 14.455 1.814 1.00 0.00 H new ATOM 1307 N GLY C 86 -12.082 6.893 0.596 1.00 0.00 N ATOM 1308 CA GLY C 86 -12.465 5.954 -0.424 1.00 0.00 C ATOM 1309 C GLY C 86 -12.955 4.641 0.139 1.00 0.00 C ATOM 1310 O GLY C 86 -12.521 4.223 1.210 1.00 0.00 O ATOM 0 H GLY C 86 -12.294 6.612 1.553 1.00 0.00 H new ATOM 0 HA2 GLY C 86 -13.249 6.394 -1.040 1.00 0.00 H new ATOM 0 HA3 GLY C 86 -11.613 5.768 -1.078 1.00 0.00 H new ATOM 1314 N PRO C 87 -13.883 3.973 -0.555 1.00 0.00 N ATOM 1315 CA PRO C 87 -14.365 2.653 -0.154 1.00 0.00 C ATOM 1316 C PRO C 87 -13.409 1.546 -0.587 1.00 0.00 C ATOM 1317 O PRO C 87 -13.092 0.644 0.187 1.00 0.00 O ATOM 1318 CB PRO C 87 -15.691 2.545 -0.902 1.00 0.00 C ATOM 1319 CG PRO C 87 -15.452 3.309 -2.153 1.00 0.00 C ATOM 1320 CD PRO C 87 -14.573 4.466 -1.763 1.00 0.00 C ATOM 0 HA PRO C 87 -14.455 2.543 0.927 1.00 0.00 H new ATOM 0 HB2 PRO C 87 -15.950 1.507 -1.110 1.00 0.00 H new ATOM 0 HB3 PRO C 87 -16.512 2.969 -0.324 1.00 0.00 H new ATOM 0 HG2 PRO C 87 -14.968 2.686 -2.905 1.00 0.00 H new ATOM 0 HG3 PRO C 87 -16.390 3.658 -2.584 1.00 0.00 H new ATOM 0 HD2 PRO C 87 -13.868 4.720 -2.554 1.00 0.00 H new ATOM 0 HD3 PRO C 87 -15.156 5.363 -1.556 1.00 0.00 H new ATOM 1328 N TYR C 88 -12.923 1.632 -1.817 1.00 0.00 N ATOM 1329 CA TYR C 88 -11.998 0.645 -2.325 1.00 0.00 C ATOM 1330 C TYR C 88 -10.717 1.315 -2.795 1.00 0.00 C ATOM 1331 O TYR C 88 -10.747 2.297 -3.540 1.00 0.00 O ATOM 1332 CB TYR C 88 -12.630 -0.188 -3.448 1.00 0.00 C ATOM 1333 CG TYR C 88 -13.277 0.624 -4.553 1.00 0.00 C ATOM 1334 CD1 TYR C 88 -12.543 1.049 -5.654 1.00 0.00 C ATOM 1335 CD2 TYR C 88 -14.621 0.963 -4.494 1.00 0.00 C ATOM 1336 CE1 TYR C 88 -13.130 1.792 -6.659 1.00 0.00 C ATOM 1337 CE2 TYR C 88 -15.215 1.706 -5.496 1.00 0.00 C ATOM 1338 CZ TYR C 88 -14.465 2.117 -6.574 1.00 0.00 C ATOM 1339 OH TYR C 88 -15.054 2.863 -7.572 1.00 0.00 O ATOM 0 H TYR C 88 -13.157 2.375 -2.475 1.00 0.00 H new ATOM 0 HA TYR C 88 -11.751 -0.039 -1.513 1.00 0.00 H new ATOM 0 HB2 TYR C 88 -11.861 -0.825 -3.886 1.00 0.00 H new ATOM 0 HB3 TYR C 88 -13.381 -0.848 -3.014 1.00 0.00 H new ATOM 0 HD1 TYR C 88 -11.496 0.794 -5.725 1.00 0.00 H new ATOM 0 HD2 TYR C 88 -15.213 0.641 -3.650 1.00 0.00 H new ATOM 0 HE1 TYR C 88 -12.545 2.116 -7.507 1.00 0.00 H new ATOM 0 HE2 TYR C 88 -16.262 1.963 -5.434 1.00 0.00 H new ATOM 0 HH TYR C 88 -16.000 3.004 -7.360 1.00 0.00 H new ATOM 1349 N ILE C 89 -9.594 0.796 -2.333 1.00 0.00 N ATOM 1350 CA ILE C 89 -8.303 1.363 -2.665 1.00 0.00 C ATOM 1351 C ILE C 89 -7.413 0.317 -3.309 1.00 0.00 C ATOM 1352 O ILE C 89 -7.176 -0.750 -2.744 1.00 0.00 O ATOM 1353 CB ILE C 89 -7.610 1.940 -1.415 1.00 0.00 C ATOM 1354 CG1 ILE C 89 -8.468 3.056 -0.822 1.00 0.00 C ATOM 1355 CG2 ILE C 89 -6.218 2.457 -1.756 1.00 0.00 C ATOM 1356 CD1 ILE C 89 -7.914 3.643 0.458 1.00 0.00 C ATOM 0 H ILE C 89 -9.552 -0.021 -1.724 1.00 0.00 H new ATOM 0 HA ILE C 89 -8.470 2.175 -3.373 1.00 0.00 H new ATOM 0 HB ILE C 89 -7.498 1.146 -0.677 1.00 0.00 H new ATOM 0 HG12 ILE C 89 -8.572 3.852 -1.560 1.00 0.00 H new ATOM 0 HG13 ILE C 89 -9.468 2.668 -0.629 1.00 0.00 H new ATOM 0 HG21 ILE C 89 -5.749 2.859 -0.858 1.00 0.00 H new ATOM 0 HG22 ILE C 89 -5.612 1.640 -2.147 1.00 0.00 H new ATOM 0 HG23 ILE C 89 -6.296 3.243 -2.508 1.00 0.00 H new ATOM 0 HD11 ILE C 89 -8.580 4.428 0.816 1.00 0.00 H new ATOM 0 HD12 ILE C 89 -7.837 2.861 1.213 1.00 0.00 H new ATOM 0 HD13 ILE C 89 -6.926 4.063 0.268 1.00 0.00 H new ATOM 1368 N GLU C 90 -6.936 0.624 -4.499 1.00 0.00 N ATOM 1369 CA GLU C 90 -6.061 -0.272 -5.223 1.00 0.00 C ATOM 1370 C GLU C 90 -4.617 0.054 -4.914 1.00 0.00 C ATOM 1371 O GLU C 90 -4.132 1.138 -5.242 1.00 0.00 O ATOM 1372 CB GLU C 90 -6.299 -0.142 -6.715 1.00 0.00 C ATOM 1373 CG GLU C 90 -7.729 -0.453 -7.124 1.00 0.00 C ATOM 1374 CD GLU C 90 -8.094 -1.911 -6.932 1.00 0.00 C ATOM 1375 OE1 GLU C 90 -7.633 -2.752 -7.733 1.00 0.00 O ATOM 1376 OE2 GLU C 90 -8.864 -2.221 -6.001 1.00 0.00 O1- ATOM 0 H GLU C 90 -7.143 1.495 -4.987 1.00 0.00 H new ATOM 0 HA GLU C 90 -6.275 -1.295 -4.913 1.00 0.00 H new ATOM 0 HB2 GLU C 90 -6.051 0.872 -7.029 1.00 0.00 H new ATOM 0 HB3 GLU C 90 -5.623 -0.814 -7.244 1.00 0.00 H new ATOM 0 HG2 GLU C 90 -8.411 0.167 -6.542 1.00 0.00 H new ATOM 0 HG3 GLU C 90 -7.869 -0.184 -8.171 1.00 0.00 H new ATOM 1383 N ILE C 91 -3.939 -0.872 -4.280 1.00 0.00 N ATOM 1384 CA ILE C 91 -2.554 -0.677 -3.933 1.00 0.00 C ATOM 1385 C ILE C 91 -1.699 -1.709 -4.691 1.00 0.00 C ATOM 1386 O ILE C 91 -1.682 -2.899 -4.376 1.00 0.00 O ATOM 1387 CB ILE C 91 -2.383 -0.728 -2.383 1.00 0.00 C ATOM 1388 CG1 ILE C 91 -1.043 -0.141 -1.954 1.00 0.00 C ATOM 1389 CG2 ILE C 91 -2.541 -2.139 -1.840 1.00 0.00 C ATOM 1390 CD1 ILE C 91 -0.974 0.215 -0.488 1.00 0.00 C ATOM 0 H ILE C 91 -4.326 -1.771 -3.993 1.00 0.00 H new ATOM 0 HA ILE C 91 -2.206 0.309 -4.239 1.00 0.00 H new ATOM 0 HB ILE C 91 -3.179 -0.117 -1.958 1.00 0.00 H new ATOM 0 HG12 ILE C 91 -0.254 -0.857 -2.182 1.00 0.00 H new ATOM 0 HG13 ILE C 91 -0.843 0.753 -2.545 1.00 0.00 H new ATOM 0 HG21 ILE C 91 -2.414 -2.129 -0.757 1.00 0.00 H new ATOM 0 HG22 ILE C 91 -3.534 -2.514 -2.086 1.00 0.00 H new ATOM 0 HG23 ILE C 91 -1.788 -2.787 -2.287 1.00 0.00 H new ATOM 0 HD11 ILE C 91 0.009 0.626 -0.259 1.00 0.00 H new ATOM 0 HD12 ILE C 91 -1.740 0.955 -0.257 1.00 0.00 H new ATOM 0 HD13 ILE C 91 -1.142 -0.679 0.112 1.00 0.00 H new ATOM 1402 N LYS C 92 -1.034 -1.245 -5.747 1.00 0.00 N ATOM 1403 CA LYS C 92 -0.322 -2.138 -6.657 1.00 0.00 C ATOM 1404 C LYS C 92 0.667 -1.355 -7.510 1.00 0.00 C ATOM 1405 O LYS C 92 0.534 -0.146 -7.672 1.00 0.00 O ATOM 1406 CB LYS C 92 -1.338 -2.856 -7.560 1.00 0.00 C ATOM 1407 CG LYS C 92 -2.219 -1.909 -8.372 1.00 0.00 C ATOM 1408 CD LYS C 92 -1.687 -1.686 -9.784 1.00 0.00 C ATOM 1409 CE LYS C 92 -1.772 -2.953 -10.625 1.00 0.00 C ATOM 1410 NZ LYS C 92 -1.135 -2.777 -11.957 1.00 0.00 N1+ ATOM 0 H LYS C 92 -0.974 -0.257 -5.993 1.00 0.00 H new ATOM 0 HA LYS C 92 0.234 -2.872 -6.073 1.00 0.00 H new ATOM 0 HB2 LYS C 92 -0.801 -3.514 -8.244 1.00 0.00 H new ATOM 0 HB3 LYS C 92 -1.975 -3.490 -6.942 1.00 0.00 H new ATOM 0 HG2 LYS C 92 -3.229 -2.315 -8.427 1.00 0.00 H new ATOM 0 HG3 LYS C 92 -2.288 -0.951 -7.857 1.00 0.00 H new ATOM 0 HD2 LYS C 92 -2.256 -0.891 -10.266 1.00 0.00 H new ATOM 0 HD3 LYS C 92 -0.651 -1.351 -9.734 1.00 0.00 H new ATOM 0 HE2 LYS C 92 -1.287 -3.773 -10.096 1.00 0.00 H new ATOM 0 HE3 LYS C 92 -2.817 -3.232 -10.756 1.00 0.00 H new ATOM 0 HZ1 LYS C 92 -1.244 -3.650 -12.512 1.00 0.00 H new ATOM 0 HZ2 LYS C 92 -1.592 -1.989 -12.459 1.00 0.00 H new ATOM 0 HZ3 LYS C 92 -0.124 -2.569 -11.833 1.00 0.00 H new ATOM 1424 N GLN C 93 1.659 -2.039 -8.060 1.00 0.00 N ATOM 1425 CA GLN C 93 2.606 -1.378 -8.941 1.00 0.00 C ATOM 1426 C GLN C 93 2.148 -1.448 -10.385 1.00 0.00 C ATOM 1427 O GLN C 93 1.299 -2.260 -10.748 1.00 0.00 O ATOM 1428 CB GLN C 93 4.019 -1.937 -8.797 1.00 0.00 C ATOM 1429 CG GLN C 93 4.084 -3.400 -8.407 1.00 0.00 C ATOM 1430 CD GLN C 93 5.506 -3.907 -8.279 1.00 0.00 C ATOM 1431 OE1 GLN C 93 5.769 -5.092 -8.476 1.00 0.00 O ATOM 1432 NE2 GLN C 93 6.435 -3.012 -7.975 1.00 0.00 N ATOM 0 H GLN C 93 1.827 -3.035 -7.915 1.00 0.00 H new ATOM 0 HA GLN C 93 2.640 -0.332 -8.638 1.00 0.00 H new ATOM 0 HB2 GLN C 93 4.546 -1.803 -9.742 1.00 0.00 H new ATOM 0 HB3 GLN C 93 4.552 -1.351 -8.048 1.00 0.00 H new ATOM 0 HG2 GLN C 93 3.565 -3.543 -7.459 1.00 0.00 H new ATOM 0 HG3 GLN C 93 3.556 -3.995 -9.153 1.00 0.00 H new ATOM 0 HE21 GLN C 93 6.174 -2.038 -7.819 1.00 0.00 H new ATOM 0 HE22 GLN C 93 7.411 -3.297 -7.897 1.00 0.00 H new ATOM 1441 N ILE C 94 2.736 -0.599 -11.198 1.00 0.00 N ATOM 1442 CA ILE C 94 2.249 -0.350 -12.541 1.00 0.00 C ATOM 1443 C ILE C 94 3.189 -0.914 -13.597 1.00 0.00 C ATOM 1444 O ILE C 94 3.698 -0.132 -14.426 1.00 0.00 O ATOM 1445 CB ILE C 94 2.059 1.166 -12.748 1.00 0.00 C ATOM 1446 CG1 ILE C 94 3.139 1.938 -11.969 1.00 0.00 C ATOM 1447 CG2 ILE C 94 0.670 1.583 -12.307 1.00 0.00 C ATOM 1448 CD1 ILE C 94 2.860 3.411 -11.783 1.00 0.00 C ATOM 1449 OXT ILE C 94 3.422 -2.140 -13.584 1.00 0.00 O ATOM 0 H ILE C 94 3.566 -0.060 -10.949 1.00 0.00 H new ATOM 0 HA ILE C 94 1.292 -0.859 -12.654 1.00 0.00 H new ATOM 0 HB ILE C 94 2.163 1.401 -13.807 1.00 0.00 H new ATOM 0 HG12 ILE C 94 3.256 1.479 -10.987 1.00 0.00 H new ATOM 0 HG13 ILE C 94 4.091 1.826 -12.489 1.00 0.00 H new ATOM 0 HG21 ILE C 94 0.547 2.656 -12.458 1.00 0.00 H new ATOM 0 HG22 ILE C 94 -0.075 1.046 -12.895 1.00 0.00 H new ATOM 0 HG23 ILE C 94 0.537 1.347 -11.251 1.00 0.00 H new ATOM 0 HD11 ILE C 94 3.676 3.868 -11.224 1.00 0.00 H new ATOM 0 HD12 ILE C 94 2.775 3.891 -12.758 1.00 0.00 H new ATOM 0 HD13 ILE C 94 1.927 3.538 -11.233 1.00 0.00 H new TER 1461 ILE C 94