USER MOD reduce.3.24.130724 H: found=0, std=0, add=730, rem=0, adj=28 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 52 LYS NZ :NH3+ -169:sc= 0.619 (180deg=0.359) USER MOD Set 1.2: C 93 GLN : amide:sc= -2.53 K(o=-1.9,f=0.26) USER MOD Set 2.1: C 77 ASN : amide:sc= -0.875 K(o=-10,f=-8.5) USER MOD Set 2.2: C 80 ASN : amide:sc= -9.25! C(o=-10!,f=-14!) USER MOD Set 3.1: C 71 THR OG1 : rot 150:sc= 1.18 USER MOD Set 3.2: C 74 ASN : amide:sc= -0.127 K(o=1,f=-0.74) USER MOD Set 4.1: C 62 LYS NZ :NH3+ 169:sc= 0.318 (180deg=-0.21) USER MOD Set 4.2: C 65 THR OG1 : rot 140:sc= 0.779 USER MOD Set 5.1: C 9 GLN : amide:sc= -0.848 X(o=-1.5,f=-1.9) USER MOD Set 5.2: C 31 MET CE :methyl -169:sc= -0.692 (180deg=-0.996) USER MOD Set 6.1: C 30 SER OG : rot 180:sc= 0 USER MOD Set 6.2: C 37 LYS NZ :NH3+ -124:sc= 0 (180deg=-0.0695) USER MOD Set 7.1: C 10 MET CE :methyl -162:sc= -0.0932 (180deg=-0.519) USER MOD Set 7.2: C 11 ASN : amide:sc= -0.164 K(o=-0.26,f=-4!) USER MOD Set 8.1: C 1 ASP N :NH3+ -165:sc= 0.994 (180deg=0) USER MOD Set 8.2: C 3 GLN : amide:sc= 0.679 K(o=1.7,f=-3.2) USER MOD Single : C 2 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : C 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 12 SER OG : rot 180:sc= 0 USER MOD Single : C 14 ASN : amide:sc= 0 X(o=0,f=-0.4) USER MOD Single : C 15 SER OG : rot 180:sc= 0 USER MOD Single : C 17 ASN : amide:sc= 0.0373 K(o=0.037,f=-3.8!) USER MOD Single : C 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 21 ASN : amide:sc= 1.01 K(o=1,f=-0.32) USER MOD Single : C 22 LYS NZ :NH3+ -164:sc= 2.02 (180deg=0.861) USER MOD Single : C 24 LYS NZ :NH3+ -161:sc= -0.109 (180deg=-0.507) USER MOD Single : C 26 LYS NZ :NH3+ 139:sc= 1.26 (180deg=0.522) USER MOD Single : C 28 SER OG : rot 180:sc= 0 USER MOD Single : C 32 ASN : amide:sc= 0 K(o=0,f=-0.75) USER MOD Single : C 34 ASN : amide:sc= -0.0347 X(o=-0.035,f=-0.41) USER MOD Single : C 35 GLN : amide:sc= -1.61 K(o=-1.6,f=-4.5!) USER MOD Single : C 39 THR OG1 : rot 25:sc= 0.163 USER MOD Single : C 40 SER OG : rot -130:sc= -2.14! USER MOD Single : C 41 SER OG : rot 180:sc= 0.0908 USER MOD Single : C 42 ASN : amide:sc= -2.36! C(o=-2.4!,f=-5.3!) USER MOD Single : C 45 TYR OH : rot 180:sc= 0 USER MOD Single : C 48 SER OG : rot 180:sc= 0 USER MOD Single : C 49 TYR OH : rot 180:sc= 0 USER MOD Single : C 53 ASN : amide:sc= -4.76! C(o=-4.8!,f=-2.5!) USER MOD Single : C 59 ASN : amide:sc= -0.0819 K(o=-0.082,f=-3.7!) USER MOD Single : C 64 TYR OH : rot 180:sc= 0 USER MOD Single : C 67 ASN : amide:sc= -4.96! C(o=-5!,f=-14!) USER MOD Single : C 69 LYS NZ :NH3+ 147:sc= 1.19 (180deg=0.863) USER MOD Single : C 70 SER OG : rot 82:sc= 0.284 USER MOD Single : C 76 SER OG : rot -84:sc= 0.789 USER MOD Single : C 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 83 ASN : amide:sc= -4.73! C(o=-4.7!,f=-4.2!) USER MOD Single : C 85 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0213) USER MOD Single : C 88 TYR OH : rot 180:sc= 0 USER MOD Single : C 92 LYS NZ :NH3+ 160:sc= -0.0444 (180deg=-0.397) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP C 1 -23.431 0.701 2.087 1.00 0.00 N ATOM 2 CA ASP C 1 -22.918 0.457 3.457 1.00 0.00 C ATOM 3 C ASP C 1 -22.464 -0.983 3.617 1.00 0.00 C ATOM 4 O ASP C 1 -22.822 -1.844 2.817 1.00 0.00 O ATOM 5 CB ASP C 1 -23.986 0.777 4.503 1.00 0.00 C ATOM 6 CG ASP C 1 -24.096 2.256 4.787 1.00 0.00 C ATOM 7 OD1 ASP C 1 -24.700 2.979 3.968 1.00 0.00 O ATOM 8 OD2 ASP C 1 -23.586 2.701 5.837 1.00 0.00 O1- ATOM 0 H1 ASP C 1 -23.496 1.725 1.918 1.00 0.00 H new ATOM 0 H2 ASP C 1 -22.784 0.276 1.393 1.00 0.00 H new ATOM 0 H3 ASP C 1 -24.374 0.274 1.988 1.00 0.00 H new ATOM 0 HA ASP C 1 -22.063 1.116 3.611 1.00 0.00 H new ATOM 0 HB2 ASP C 1 -24.950 0.404 4.158 1.00 0.00 H new ATOM 0 HB3 ASP C 1 -23.753 0.250 5.428 1.00 0.00 H new ATOM 13 N ASN C 2 -21.665 -1.223 4.658 1.00 0.00 N ATOM 14 CA ASN C 2 -21.120 -2.548 4.979 1.00 0.00 C ATOM 15 C ASN C 2 -20.050 -2.972 3.981 1.00 0.00 C ATOM 16 O ASN C 2 -19.536 -4.090 4.045 1.00 0.00 O ATOM 17 CB ASN C 2 -22.219 -3.615 5.071 1.00 0.00 C ATOM 18 CG ASN C 2 -23.174 -3.376 6.225 1.00 0.00 C ATOM 19 OD1 ASN C 2 -22.956 -3.857 7.339 1.00 0.00 O ATOM 20 ND2 ASN C 2 -24.240 -2.635 5.967 1.00 0.00 N ATOM 0 H ASN C 2 -21.373 -0.496 5.311 1.00 0.00 H new ATOM 0 HA ASN C 2 -20.655 -2.462 5.961 1.00 0.00 H new ATOM 0 HB2 ASN C 2 -22.781 -3.632 4.137 1.00 0.00 H new ATOM 0 HB3 ASN C 2 -21.758 -4.596 5.184 1.00 0.00 H new ATOM 0 HD21 ASN C 2 -24.918 -2.443 6.704 1.00 0.00 H new ATOM 0 HD22 ASN C 2 -24.383 -2.256 5.031 1.00 0.00 H new ATOM 27 N GLN C 3 -19.699 -2.071 3.074 1.00 0.00 N ATOM 28 CA GLN C 3 -18.581 -2.288 2.165 1.00 0.00 C ATOM 29 C GLN C 3 -17.296 -2.289 2.959 1.00 0.00 C ATOM 30 O GLN C 3 -16.332 -2.977 2.625 1.00 0.00 O ATOM 31 CB GLN C 3 -18.525 -1.192 1.105 1.00 0.00 C ATOM 32 CG GLN C 3 -19.389 -1.459 -0.108 1.00 0.00 C ATOM 33 CD GLN C 3 -20.861 -1.572 0.231 1.00 0.00 C ATOM 34 OE1 GLN C 3 -21.575 -0.569 0.280 1.00 0.00 O ATOM 35 NE2 GLN C 3 -21.335 -2.789 0.438 1.00 0.00 N ATOM 0 H GLN C 3 -20.175 -1.178 2.947 1.00 0.00 H new ATOM 0 HA GLN C 3 -18.714 -3.246 1.662 1.00 0.00 H new ATOM 0 HB2 GLN C 3 -18.833 -0.249 1.557 1.00 0.00 H new ATOM 0 HB3 GLN C 3 -17.492 -1.068 0.781 1.00 0.00 H new ATOM 0 HG2 GLN C 3 -19.248 -0.656 -0.832 1.00 0.00 H new ATOM 0 HG3 GLN C 3 -19.060 -2.381 -0.587 1.00 0.00 H new ATOM 0 HE21 GLN C 3 -20.711 -3.595 0.389 1.00 0.00 H new ATOM 0 HE22 GLN C 3 -22.324 -2.922 0.647 1.00 0.00 H new ATOM 44 N LYS C 4 -17.326 -1.512 4.029 1.00 0.00 N ATOM 45 CA LYS C 4 -16.220 -1.403 4.969 1.00 0.00 C ATOM 46 C LYS C 4 -15.844 -2.769 5.544 1.00 0.00 C ATOM 47 O LYS C 4 -14.743 -2.953 6.058 1.00 0.00 O ATOM 48 CB LYS C 4 -16.623 -0.463 6.106 1.00 0.00 C ATOM 49 CG LYS C 4 -15.440 0.163 6.830 1.00 0.00 C ATOM 50 CD LYS C 4 -15.884 1.180 7.868 1.00 0.00 C ATOM 51 CE LYS C 4 -16.704 0.540 8.976 1.00 0.00 C ATOM 52 NZ LYS C 4 -17.127 1.536 9.993 1.00 0.00 N1+ ATOM 0 H LYS C 4 -18.128 -0.932 4.273 1.00 0.00 H new ATOM 0 HA LYS C 4 -15.352 -1.008 4.440 1.00 0.00 H new ATOM 0 HB2 LYS C 4 -17.253 0.330 5.704 1.00 0.00 H new ATOM 0 HB3 LYS C 4 -17.227 -1.016 6.826 1.00 0.00 H new ATOM 0 HG2 LYS C 4 -14.856 -0.619 7.315 1.00 0.00 H new ATOM 0 HG3 LYS C 4 -14.785 0.647 6.105 1.00 0.00 H new ATOM 0 HD2 LYS C 4 -15.008 1.665 8.299 1.00 0.00 H new ATOM 0 HD3 LYS C 4 -16.473 1.959 7.384 1.00 0.00 H new ATOM 0 HE2 LYS C 4 -17.585 0.062 8.547 1.00 0.00 H new ATOM 0 HE3 LYS C 4 -16.118 -0.244 9.456 1.00 0.00 H new ATOM 0 HZ1 LYS C 4 -17.684 1.062 10.732 1.00 0.00 H new ATOM 0 HZ2 LYS C 4 -16.286 1.974 10.420 1.00 0.00 H new ATOM 0 HZ3 LYS C 4 -17.707 2.270 9.539 1.00 0.00 H new ATOM 66 N ALA C 5 -16.770 -3.715 5.470 1.00 0.00 N ATOM 67 CA ALA C 5 -16.533 -5.050 5.988 1.00 0.00 C ATOM 68 C ALA C 5 -15.969 -5.983 4.922 1.00 0.00 C ATOM 69 O ALA C 5 -14.798 -6.359 4.964 1.00 0.00 O ATOM 70 CB ALA C 5 -17.815 -5.618 6.576 1.00 0.00 C ATOM 0 H ALA C 5 -17.692 -3.580 5.055 1.00 0.00 H new ATOM 0 HA ALA C 5 -15.784 -4.973 6.776 1.00 0.00 H new ATOM 0 HB1 ALA C 5 -17.626 -6.620 6.962 1.00 0.00 H new ATOM 0 HB2 ALA C 5 -18.159 -4.976 7.387 1.00 0.00 H new ATOM 0 HB3 ALA C 5 -18.580 -5.666 5.802 1.00 0.00 H new ATOM 76 N LEU C 6 -16.808 -6.343 3.966 1.00 0.00 N ATOM 77 CA LEU C 6 -16.459 -7.362 2.977 1.00 0.00 C ATOM 78 C LEU C 6 -15.835 -6.780 1.701 1.00 0.00 C ATOM 79 O LEU C 6 -14.615 -6.798 1.541 1.00 0.00 O ATOM 80 CB LEU C 6 -17.695 -8.192 2.615 1.00 0.00 C ATOM 81 CG LEU C 6 -18.369 -8.912 3.786 1.00 0.00 C ATOM 82 CD1 LEU C 6 -19.659 -9.577 3.328 1.00 0.00 C ATOM 83 CD2 LEU C 6 -17.431 -9.945 4.393 1.00 0.00 C ATOM 0 H LEU C 6 -17.740 -5.946 3.849 1.00 0.00 H new ATOM 0 HA LEU C 6 -15.702 -7.995 3.440 1.00 0.00 H new ATOM 0 HB2 LEU C 6 -18.427 -7.536 2.144 1.00 0.00 H new ATOM 0 HB3 LEU C 6 -17.408 -8.935 1.871 1.00 0.00 H new ATOM 0 HG LEU C 6 -18.608 -8.172 4.550 1.00 0.00 H new ATOM 0 HD11 LEU C 6 -20.126 -10.085 4.172 1.00 0.00 H new ATOM 0 HD12 LEU C 6 -20.340 -8.820 2.938 1.00 0.00 H new ATOM 0 HD13 LEU C 6 -19.436 -10.303 2.546 1.00 0.00 H new ATOM 0 HD21 LEU C 6 -17.929 -10.445 5.223 1.00 0.00 H new ATOM 0 HD22 LEU C 6 -17.161 -10.681 3.636 1.00 0.00 H new ATOM 0 HD23 LEU C 6 -16.530 -9.450 4.755 1.00 0.00 H new ATOM 95 N GLU C 7 -16.691 -6.243 0.826 1.00 0.00 N ATOM 96 CA GLU C 7 -16.335 -5.913 -0.566 1.00 0.00 C ATOM 97 C GLU C 7 -14.984 -5.220 -0.735 1.00 0.00 C ATOM 98 O GLU C 7 -14.091 -5.751 -1.397 1.00 0.00 O ATOM 99 CB GLU C 7 -17.423 -5.042 -1.190 1.00 0.00 C ATOM 100 CG GLU C 7 -18.704 -5.791 -1.501 1.00 0.00 C ATOM 101 CD GLU C 7 -19.740 -4.903 -2.150 1.00 0.00 C ATOM 102 OE1 GLU C 7 -19.467 -4.370 -3.247 1.00 0.00 O ATOM 103 OE2 GLU C 7 -20.834 -4.743 -1.576 1.00 0.00 O1- ATOM 0 H GLU C 7 -17.659 -6.022 1.061 1.00 0.00 H new ATOM 0 HA GLU C 7 -16.251 -6.873 -1.076 1.00 0.00 H new ATOM 0 HB2 GLU C 7 -17.650 -4.219 -0.512 1.00 0.00 H new ATOM 0 HB3 GLU C 7 -17.039 -4.601 -2.110 1.00 0.00 H new ATOM 0 HG2 GLU C 7 -18.482 -6.630 -2.161 1.00 0.00 H new ATOM 0 HG3 GLU C 7 -19.111 -6.209 -0.580 1.00 0.00 H new ATOM 110 N GLU C 8 -14.842 -4.032 -0.169 1.00 0.00 N ATOM 111 CA GLU C 8 -13.644 -3.211 -0.390 1.00 0.00 C ATOM 112 C GLU C 8 -12.363 -3.917 0.073 1.00 0.00 C ATOM 113 O GLU C 8 -11.264 -3.574 -0.360 1.00 0.00 O ATOM 114 CB GLU C 8 -13.780 -1.872 0.337 1.00 0.00 C ATOM 115 CG GLU C 8 -15.173 -1.268 0.265 1.00 0.00 C ATOM 116 CD GLU C 8 -15.670 -1.031 -1.150 1.00 0.00 C ATOM 117 OE1 GLU C 8 -15.786 0.143 -1.554 1.00 0.00 O ATOM 118 OE2 GLU C 8 -15.973 -2.014 -1.856 1.00 0.00 O1- ATOM 0 H GLU C 8 -15.536 -3.608 0.447 1.00 0.00 H new ATOM 0 HA GLU C 8 -13.564 -3.045 -1.464 1.00 0.00 H new ATOM 0 HB2 GLU C 8 -13.508 -2.009 1.384 1.00 0.00 H new ATOM 0 HB3 GLU C 8 -13.067 -1.166 -0.087 1.00 0.00 H new ATOM 0 HG2 GLU C 8 -15.871 -1.929 0.779 1.00 0.00 H new ATOM 0 HG3 GLU C 8 -15.175 -0.320 0.804 1.00 0.00 H new ATOM 125 N GLN C 9 -12.514 -4.918 0.926 1.00 0.00 N ATOM 126 CA GLN C 9 -11.376 -5.582 1.555 1.00 0.00 C ATOM 127 C GLN C 9 -11.046 -6.906 0.868 1.00 0.00 C ATOM 128 O GLN C 9 -10.383 -7.769 1.447 1.00 0.00 O ATOM 129 CB GLN C 9 -11.636 -5.809 3.052 1.00 0.00 C ATOM 130 CG GLN C 9 -11.582 -4.536 3.895 1.00 0.00 C ATOM 131 CD GLN C 9 -12.726 -3.572 3.623 1.00 0.00 C ATOM 132 OE1 GLN C 9 -12.566 -2.355 3.724 1.00 0.00 O ATOM 133 NE2 GLN C 9 -13.894 -4.108 3.300 1.00 0.00 N ATOM 0 H GLN C 9 -13.421 -5.293 1.202 1.00 0.00 H new ATOM 0 HA GLN C 9 -10.514 -4.924 1.445 1.00 0.00 H new ATOM 0 HB2 GLN C 9 -12.616 -6.271 3.174 1.00 0.00 H new ATOM 0 HB3 GLN C 9 -10.900 -6.517 3.434 1.00 0.00 H new ATOM 0 HG2 GLN C 9 -11.592 -4.809 4.950 1.00 0.00 H new ATOM 0 HG3 GLN C 9 -10.637 -4.026 3.707 1.00 0.00 H new ATOM 0 HE21 GLN C 9 -13.987 -5.121 3.226 1.00 0.00 H new ATOM 0 HE22 GLN C 9 -14.700 -3.508 3.125 1.00 0.00 H new ATOM 142 N MET C 10 -11.539 -7.074 -0.355 1.00 0.00 N ATOM 143 CA MET C 10 -11.268 -8.280 -1.136 1.00 0.00 C ATOM 144 C MET C 10 -9.792 -8.390 -1.520 1.00 0.00 C ATOM 145 O MET C 10 -8.989 -7.509 -1.225 1.00 0.00 O ATOM 146 CB MET C 10 -12.135 -8.312 -2.397 1.00 0.00 C ATOM 147 CG MET C 10 -13.578 -8.698 -2.129 1.00 0.00 C ATOM 148 SD MET C 10 -13.737 -10.360 -1.444 1.00 0.00 S ATOM 149 CE MET C 10 -13.116 -11.353 -2.801 1.00 0.00 C ATOM 0 H MET C 10 -12.129 -6.390 -0.829 1.00 0.00 H new ATOM 0 HA MET C 10 -11.517 -9.133 -0.505 1.00 0.00 H new ATOM 0 HB2 MET C 10 -12.112 -7.330 -2.870 1.00 0.00 H new ATOM 0 HB3 MET C 10 -11.704 -9.018 -3.107 1.00 0.00 H new ATOM 0 HG2 MET C 10 -14.020 -7.980 -1.438 1.00 0.00 H new ATOM 0 HG3 MET C 10 -14.145 -8.636 -3.058 1.00 0.00 H new ATOM 0 HE1 MET C 10 -13.438 -12.386 -2.673 1.00 0.00 H new ATOM 0 HE2 MET C 10 -13.505 -10.966 -3.743 1.00 0.00 H new ATOM 0 HE3 MET C 10 -12.027 -11.311 -2.814 1.00 0.00 H new ATOM 159 N ASN C 11 -9.473 -9.487 -2.209 1.00 0.00 N ATOM 160 CA ASN C 11 -8.094 -9.947 -2.457 1.00 0.00 C ATOM 161 C ASN C 11 -7.155 -8.876 -3.008 1.00 0.00 C ATOM 162 O ASN C 11 -5.936 -9.029 -2.902 1.00 0.00 O ATOM 163 CB ASN C 11 -8.109 -11.126 -3.435 1.00 0.00 C ATOM 164 CG ASN C 11 -8.819 -12.351 -2.887 1.00 0.00 C ATOM 165 OD1 ASN C 11 -9.726 -12.247 -2.064 1.00 0.00 O ATOM 166 ND2 ASN C 11 -8.418 -13.521 -3.352 1.00 0.00 N ATOM 0 H ASN C 11 -10.178 -10.098 -2.622 1.00 0.00 H new ATOM 0 HA ASN C 11 -7.706 -10.233 -1.480 1.00 0.00 H new ATOM 0 HB2 ASN C 11 -8.595 -10.816 -4.360 1.00 0.00 H new ATOM 0 HB3 ASN C 11 -7.083 -11.392 -3.688 1.00 0.00 H new ATOM 0 HD21 ASN C 11 -8.865 -14.379 -3.028 1.00 0.00 H new ATOM 0 HD22 ASN C 11 -7.662 -13.566 -4.035 1.00 0.00 H new ATOM 173 N SER C 12 -7.717 -7.810 -3.576 1.00 0.00 N ATOM 174 CA SER C 12 -6.941 -6.769 -4.247 1.00 0.00 C ATOM 175 C SER C 12 -5.722 -6.329 -3.424 1.00 0.00 C ATOM 176 O SER C 12 -4.601 -6.337 -3.930 1.00 0.00 O ATOM 177 CB SER C 12 -7.840 -5.563 -4.551 1.00 0.00 C ATOM 178 OG SER C 12 -7.204 -4.654 -5.436 1.00 0.00 O ATOM 0 H SER C 12 -8.723 -7.644 -3.584 1.00 0.00 H new ATOM 0 HA SER C 12 -6.564 -7.190 -5.179 1.00 0.00 H new ATOM 0 HB2 SER C 12 -8.776 -5.907 -4.991 1.00 0.00 H new ATOM 0 HB3 SER C 12 -8.093 -5.052 -3.622 1.00 0.00 H new ATOM 0 HG SER C 12 -7.801 -3.897 -5.612 1.00 0.00 H new ATOM 184 N ILE C 13 -5.927 -5.974 -2.156 1.00 0.00 N ATOM 185 CA ILE C 13 -4.819 -5.500 -1.323 1.00 0.00 C ATOM 186 C ILE C 13 -4.132 -6.653 -0.593 1.00 0.00 C ATOM 187 O ILE C 13 -3.008 -6.508 -0.128 1.00 0.00 O ATOM 188 CB ILE C 13 -5.236 -4.420 -0.281 1.00 0.00 C ATOM 189 CG1 ILE C 13 -5.980 -5.030 0.920 1.00 0.00 C ATOM 190 CG2 ILE C 13 -6.083 -3.336 -0.931 1.00 0.00 C ATOM 191 CD1 ILE C 13 -7.304 -5.663 0.572 1.00 0.00 C ATOM 0 H ILE C 13 -6.833 -6.004 -1.688 1.00 0.00 H new ATOM 0 HA ILE C 13 -4.124 -5.035 -2.022 1.00 0.00 H new ATOM 0 HB ILE C 13 -4.317 -3.971 0.095 1.00 0.00 H new ATOM 0 HG12 ILE C 13 -5.342 -5.782 1.384 1.00 0.00 H new ATOM 0 HG13 ILE C 13 -6.147 -4.250 1.663 1.00 0.00 H new ATOM 0 HG21 ILE C 13 -6.361 -2.594 -0.183 1.00 0.00 H new ATOM 0 HG22 ILE C 13 -5.511 -2.854 -1.724 1.00 0.00 H new ATOM 0 HG23 ILE C 13 -6.984 -3.782 -1.352 1.00 0.00 H new ATOM 0 HD11 ILE C 13 -7.762 -6.068 1.474 1.00 0.00 H new ATOM 0 HD12 ILE C 13 -7.963 -4.912 0.136 1.00 0.00 H new ATOM 0 HD13 ILE C 13 -7.145 -6.467 -0.147 1.00 0.00 H new ATOM 203 N ASN C 14 -4.803 -7.793 -0.484 1.00 0.00 N ATOM 204 CA ASN C 14 -4.255 -8.928 0.261 1.00 0.00 C ATOM 205 C ASN C 14 -3.138 -9.608 -0.509 1.00 0.00 C ATOM 206 O ASN C 14 -2.057 -9.836 0.029 1.00 0.00 O ATOM 207 CB ASN C 14 -5.324 -9.956 0.572 1.00 0.00 C ATOM 208 CG ASN C 14 -6.437 -9.413 1.440 1.00 0.00 C ATOM 209 OD1 ASN C 14 -7.454 -8.944 0.937 1.00 0.00 O ATOM 210 ND2 ASN C 14 -6.253 -9.475 2.748 1.00 0.00 N ATOM 0 H ASN C 14 -5.721 -7.959 -0.897 1.00 0.00 H new ATOM 0 HA ASN C 14 -3.860 -8.524 1.193 1.00 0.00 H new ATOM 0 HB2 ASN C 14 -5.747 -10.325 -0.362 1.00 0.00 H new ATOM 0 HB3 ASN C 14 -4.865 -10.809 1.072 1.00 0.00 H new ATOM 0 HD21 ASN C 14 -6.972 -9.125 3.381 1.00 0.00 H new ATOM 0 HD22 ASN C 14 -5.392 -9.873 3.124 1.00 0.00 H new ATOM 217 N SER C 15 -3.401 -9.942 -1.768 1.00 0.00 N ATOM 218 CA SER C 15 -2.370 -10.511 -2.627 1.00 0.00 C ATOM 219 C SER C 15 -1.200 -9.544 -2.723 1.00 0.00 C ATOM 220 O SER C 15 -0.046 -9.947 -2.879 1.00 0.00 O ATOM 221 CB SER C 15 -2.948 -10.813 -4.009 1.00 0.00 C ATOM 222 OG SER C 15 -4.028 -11.725 -3.911 1.00 0.00 O ATOM 0 H SER C 15 -4.312 -9.830 -2.213 1.00 0.00 H new ATOM 0 HA SER C 15 -2.012 -11.448 -2.199 1.00 0.00 H new ATOM 0 HB2 SER C 15 -3.287 -9.889 -4.477 1.00 0.00 H new ATOM 0 HB3 SER C 15 -2.171 -11.229 -4.651 1.00 0.00 H new ATOM 0 HG SER C 15 -4.386 -11.905 -4.805 1.00 0.00 H new ATOM 228 N VAL C 16 -1.517 -8.267 -2.597 1.00 0.00 N ATOM 229 CA VAL C 16 -0.516 -7.227 -2.505 1.00 0.00 C ATOM 230 C VAL C 16 0.217 -7.299 -1.165 1.00 0.00 C ATOM 231 O VAL C 16 1.438 -7.146 -1.108 1.00 0.00 O ATOM 232 CB VAL C 16 -1.162 -5.840 -2.674 1.00 0.00 C ATOM 233 CG1 VAL C 16 -0.195 -4.746 -2.277 1.00 0.00 C ATOM 234 CG2 VAL C 16 -1.614 -5.641 -4.109 1.00 0.00 C ATOM 0 H VAL C 16 -2.477 -7.925 -2.556 1.00 0.00 H new ATOM 0 HA VAL C 16 0.206 -7.381 -3.307 1.00 0.00 H new ATOM 0 HB VAL C 16 -2.031 -5.786 -2.019 1.00 0.00 H new ATOM 0 HG11 VAL C 16 -0.672 -3.774 -2.404 1.00 0.00 H new ATOM 0 HG12 VAL C 16 0.092 -4.875 -1.233 1.00 0.00 H new ATOM 0 HG13 VAL C 16 0.693 -4.799 -2.907 1.00 0.00 H new ATOM 0 HG21 VAL C 16 -2.069 -4.656 -4.214 1.00 0.00 H new ATOM 0 HG22 VAL C 16 -0.754 -5.717 -4.775 1.00 0.00 H new ATOM 0 HG23 VAL C 16 -2.344 -6.407 -4.370 1.00 0.00 H new ATOM 244 N ASN C 17 -0.527 -7.572 -0.091 1.00 0.00 N ATOM 245 CA ASN C 17 0.055 -7.610 1.251 1.00 0.00 C ATOM 246 C ASN C 17 1.123 -8.688 1.336 1.00 0.00 C ATOM 247 O ASN C 17 2.185 -8.479 1.922 1.00 0.00 O ATOM 248 CB ASN C 17 -1.019 -7.870 2.313 1.00 0.00 C ATOM 249 CG ASN C 17 -1.465 -6.612 3.040 1.00 0.00 C ATOM 250 OD1 ASN C 17 -0.895 -6.239 4.065 1.00 0.00 O ATOM 251 ND2 ASN C 17 -2.487 -5.953 2.520 1.00 0.00 N ATOM 0 H ASN C 17 -1.527 -7.769 -0.124 1.00 0.00 H new ATOM 0 HA ASN C 17 0.507 -6.637 1.443 1.00 0.00 H new ATOM 0 HB2 ASN C 17 -1.884 -8.333 1.838 1.00 0.00 H new ATOM 0 HB3 ASN C 17 -0.634 -8.585 3.041 1.00 0.00 H new ATOM 0 HD21 ASN C 17 -2.829 -5.104 2.970 1.00 0.00 H new ATOM 0 HD22 ASN C 17 -2.934 -6.294 1.669 1.00 0.00 H new ATOM 258 N ASP C 18 0.842 -9.835 0.726 1.00 0.00 N ATOM 259 CA ASP C 18 1.770 -10.965 0.729 1.00 0.00 C ATOM 260 C ASP C 18 3.037 -10.646 -0.054 1.00 0.00 C ATOM 261 O ASP C 18 4.116 -11.141 0.263 1.00 0.00 O ATOM 262 CB ASP C 18 1.114 -12.212 0.129 1.00 0.00 C ATOM 263 CG ASP C 18 0.014 -12.784 0.996 1.00 0.00 C ATOM 264 OD1 ASP C 18 -1.172 -12.618 0.642 1.00 0.00 O ATOM 265 OD2 ASP C 18 0.326 -13.416 2.028 1.00 0.00 O1- ATOM 0 H ASP C 18 -0.026 -10.009 0.220 1.00 0.00 H new ATOM 0 HA ASP C 18 2.035 -11.157 1.769 1.00 0.00 H new ATOM 0 HB2 ASP C 18 0.704 -11.963 -0.850 1.00 0.00 H new ATOM 0 HB3 ASP C 18 1.876 -12.975 -0.029 1.00 0.00 H new ATOM 270 N LYS C 19 2.900 -9.814 -1.075 1.00 0.00 N ATOM 271 CA LYS C 19 4.020 -9.484 -1.947 1.00 0.00 C ATOM 272 C LYS C 19 4.885 -8.404 -1.321 1.00 0.00 C ATOM 273 O LYS C 19 6.108 -8.401 -1.471 1.00 0.00 O ATOM 274 CB LYS C 19 3.507 -9.026 -3.312 1.00 0.00 C ATOM 275 CG LYS C 19 2.931 -10.147 -4.158 1.00 0.00 C ATOM 276 CD LYS C 19 2.488 -9.634 -5.516 1.00 0.00 C ATOM 277 CE LYS C 19 1.837 -10.729 -6.342 1.00 0.00 C ATOM 278 NZ LYS C 19 1.461 -10.250 -7.698 1.00 0.00 N1+ ATOM 0 H LYS C 19 2.024 -9.354 -1.321 1.00 0.00 H new ATOM 0 HA LYS C 19 4.629 -10.378 -2.081 1.00 0.00 H new ATOM 0 HB2 LYS C 19 2.741 -8.264 -3.165 1.00 0.00 H new ATOM 0 HB3 LYS C 19 4.325 -8.555 -3.858 1.00 0.00 H new ATOM 0 HG2 LYS C 19 3.678 -10.930 -4.288 1.00 0.00 H new ATOM 0 HG3 LYS C 19 2.083 -10.598 -3.642 1.00 0.00 H new ATOM 0 HD2 LYS C 19 1.785 -8.811 -5.383 1.00 0.00 H new ATOM 0 HD3 LYS C 19 3.348 -9.235 -6.053 1.00 0.00 H new ATOM 0 HE2 LYS C 19 2.522 -11.572 -6.432 1.00 0.00 H new ATOM 0 HE3 LYS C 19 0.949 -11.093 -5.826 1.00 0.00 H new ATOM 0 HZ1 LYS C 19 1.020 -11.027 -8.231 1.00 0.00 H new ATOM 0 HZ2 LYS C 19 0.788 -9.462 -7.613 1.00 0.00 H new ATOM 0 HZ3 LYS C 19 2.312 -9.926 -8.200 1.00 0.00 H new ATOM 292 N LEU C 20 4.238 -7.489 -0.623 1.00 0.00 N ATOM 293 CA LEU C 20 4.934 -6.440 0.098 1.00 0.00 C ATOM 294 C LEU C 20 5.601 -7.005 1.337 1.00 0.00 C ATOM 295 O LEU C 20 6.704 -6.598 1.698 1.00 0.00 O ATOM 296 CB LEU C 20 3.954 -5.336 0.466 1.00 0.00 C ATOM 297 CG LEU C 20 3.448 -4.526 -0.725 1.00 0.00 C ATOM 298 CD1 LEU C 20 2.458 -3.465 -0.277 1.00 0.00 C ATOM 299 CD2 LEU C 20 4.626 -3.901 -1.463 1.00 0.00 C ATOM 0 H LEU C 20 3.222 -7.452 -0.540 1.00 0.00 H new ATOM 0 HA LEU C 20 5.711 -6.020 -0.540 1.00 0.00 H new ATOM 0 HB2 LEU C 20 3.100 -5.779 0.979 1.00 0.00 H new ATOM 0 HB3 LEU C 20 4.434 -4.660 1.173 1.00 0.00 H new ATOM 0 HG LEU C 20 2.925 -5.195 -1.408 1.00 0.00 H new ATOM 0 HD11 LEU C 20 2.112 -2.901 -1.143 1.00 0.00 H new ATOM 0 HD12 LEU C 20 1.607 -3.943 0.208 1.00 0.00 H new ATOM 0 HD13 LEU C 20 2.943 -2.788 0.426 1.00 0.00 H new ATOM 0 HD21 LEU C 20 4.259 -3.324 -2.312 1.00 0.00 H new ATOM 0 HD22 LEU C 20 5.172 -3.243 -0.786 1.00 0.00 H new ATOM 0 HD23 LEU C 20 5.291 -4.688 -1.819 1.00 0.00 H new ATOM 311 N ASN C 21 4.931 -7.947 1.980 1.00 0.00 N ATOM 312 CA ASN C 21 5.533 -8.690 3.072 1.00 0.00 C ATOM 313 C ASN C 21 6.436 -9.776 2.496 1.00 0.00 C ATOM 314 O ASN C 21 6.151 -10.971 2.583 1.00 0.00 O ATOM 315 CB ASN C 21 4.458 -9.287 3.985 1.00 0.00 C ATOM 316 CG ASN C 21 3.871 -8.260 4.938 1.00 0.00 C ATOM 317 OD1 ASN C 21 4.379 -8.066 6.041 1.00 0.00 O ATOM 318 ND2 ASN C 21 2.798 -7.595 4.529 1.00 0.00 N ATOM 0 H ASN C 21 3.971 -8.214 1.764 1.00 0.00 H new ATOM 0 HA ASN C 21 6.133 -8.015 3.683 1.00 0.00 H new ATOM 0 HB2 ASN C 21 3.660 -9.709 3.374 1.00 0.00 H new ATOM 0 HB3 ASN C 21 4.888 -10.108 4.559 1.00 0.00 H new ATOM 0 HD21 ASN C 21 2.368 -6.897 5.136 1.00 0.00 H new ATOM 0 HD22 ASN C 21 2.403 -7.782 3.607 1.00 0.00 H new ATOM 325 N LYS C 22 7.526 -9.318 1.897 1.00 0.00 N ATOM 326 CA LYS C 22 8.444 -10.164 1.139 1.00 0.00 C ATOM 327 C LYS C 22 9.542 -10.752 2.023 1.00 0.00 C ATOM 328 O LYS C 22 10.312 -11.605 1.586 1.00 0.00 O ATOM 329 CB LYS C 22 9.075 -9.328 0.017 1.00 0.00 C ATOM 330 CG LYS C 22 9.485 -7.930 0.471 1.00 0.00 C ATOM 331 CD LYS C 22 10.224 -7.156 -0.614 1.00 0.00 C ATOM 332 CE LYS C 22 10.510 -5.723 -0.179 1.00 0.00 C ATOM 333 NZ LYS C 22 9.279 -4.891 -0.130 1.00 0.00 N1+ ATOM 0 H LYS C 22 7.803 -8.337 1.923 1.00 0.00 H new ATOM 0 HA LYS C 22 7.878 -10.998 0.725 1.00 0.00 H new ATOM 0 HB2 LYS C 22 9.951 -9.850 -0.368 1.00 0.00 H new ATOM 0 HB3 LYS C 22 8.367 -9.243 -0.807 1.00 0.00 H new ATOM 0 HG2 LYS C 22 8.596 -7.373 0.768 1.00 0.00 H new ATOM 0 HG3 LYS C 22 10.121 -8.010 1.353 1.00 0.00 H new ATOM 0 HD2 LYS C 22 11.161 -7.660 -0.848 1.00 0.00 H new ATOM 0 HD3 LYS C 22 9.629 -7.149 -1.527 1.00 0.00 H new ATOM 0 HE2 LYS C 22 10.979 -5.731 0.805 1.00 0.00 H new ATOM 0 HE3 LYS C 22 11.223 -5.272 -0.869 1.00 0.00 H new ATOM 0 HZ1 LYS C 22 9.541 -3.885 -0.099 1.00 0.00 H new ATOM 0 HZ2 LYS C 22 8.703 -5.073 -0.977 1.00 0.00 H new ATOM 0 HZ3 LYS C 22 8.730 -5.132 0.720 1.00 0.00 H new ATOM 347 N GLY C 23 9.596 -10.306 3.263 1.00 0.00 N ATOM 348 CA GLY C 23 10.692 -10.666 4.138 1.00 0.00 C ATOM 349 C GLY C 23 11.489 -9.437 4.498 1.00 0.00 C ATOM 350 O GLY C 23 11.744 -9.164 5.673 1.00 0.00 O ATOM 0 H GLY C 23 8.896 -9.696 3.685 1.00 0.00 H new ATOM 0 HA2 GLY C 23 10.307 -11.138 5.042 1.00 0.00 H new ATOM 0 HA3 GLY C 23 11.336 -11.396 3.647 1.00 0.00 H new ATOM 354 N LYS C 24 11.864 -8.692 3.467 1.00 0.00 N ATOM 355 CA LYS C 24 12.421 -7.360 3.630 1.00 0.00 C ATOM 356 C LYS C 24 11.286 -6.375 3.886 1.00 0.00 C ATOM 357 O LYS C 24 10.193 -6.794 4.273 1.00 0.00 O ATOM 358 CB LYS C 24 13.210 -6.971 2.376 1.00 0.00 C ATOM 359 CG LYS C 24 14.487 -7.781 2.201 1.00 0.00 C ATOM 360 CD LYS C 24 15.690 -7.103 2.844 1.00 0.00 C ATOM 361 CE LYS C 24 16.921 -7.993 2.801 1.00 0.00 C ATOM 362 NZ LYS C 24 16.700 -9.287 3.498 1.00 0.00 N1+ ATOM 0 H LYS C 24 11.790 -8.995 2.496 1.00 0.00 H new ATOM 0 HA LYS C 24 13.103 -7.341 4.480 1.00 0.00 H new ATOM 0 HB2 LYS C 24 12.577 -7.107 1.499 1.00 0.00 H new ATOM 0 HB3 LYS C 24 13.462 -5.912 2.426 1.00 0.00 H new ATOM 0 HG2 LYS C 24 14.351 -8.769 2.640 1.00 0.00 H new ATOM 0 HG3 LYS C 24 14.680 -7.928 1.138 1.00 0.00 H new ATOM 0 HD2 LYS C 24 15.899 -6.166 2.328 1.00 0.00 H new ATOM 0 HD3 LYS C 24 15.457 -6.852 3.879 1.00 0.00 H new ATOM 0 HE2 LYS C 24 17.194 -8.183 1.763 1.00 0.00 H new ATOM 0 HE3 LYS C 24 17.761 -7.472 3.262 1.00 0.00 H new ATOM 0 HZ1 LYS C 24 17.618 -9.718 3.729 1.00 0.00 H new ATOM 0 HZ2 LYS C 24 16.164 -9.122 4.374 1.00 0.00 H new ATOM 0 HZ3 LYS C 24 16.163 -9.927 2.879 1.00 0.00 H new ATOM 376 N GLY C 25 11.543 -5.089 3.663 1.00 0.00 N ATOM 377 CA GLY C 25 10.565 -4.047 3.941 1.00 0.00 C ATOM 378 C GLY C 25 9.156 -4.403 3.542 1.00 0.00 C ATOM 379 O GLY C 25 8.917 -4.956 2.471 1.00 0.00 O ATOM 0 H GLY C 25 12.427 -4.744 3.288 1.00 0.00 H new ATOM 0 HA2 GLY C 25 10.583 -3.822 5.007 1.00 0.00 H new ATOM 0 HA3 GLY C 25 10.860 -3.137 3.418 1.00 0.00 H new ATOM 383 N LYS C 26 8.218 -4.065 4.399 1.00 0.00 N ATOM 384 CA LYS C 26 6.864 -4.551 4.258 1.00 0.00 C ATOM 385 C LYS C 26 5.840 -3.485 4.612 1.00 0.00 C ATOM 386 O LYS C 26 6.058 -2.681 5.518 1.00 0.00 O ATOM 387 CB LYS C 26 6.707 -5.772 5.154 1.00 0.00 C ATOM 388 CG LYS C 26 7.278 -5.560 6.545 1.00 0.00 C ATOM 389 CD LYS C 26 7.717 -6.876 7.165 1.00 0.00 C ATOM 390 CE LYS C 26 9.216 -7.080 6.990 1.00 0.00 C ATOM 391 NZ LYS C 26 9.637 -8.462 7.340 1.00 0.00 N1+ ATOM 0 H LYS C 26 8.369 -3.454 5.202 1.00 0.00 H new ATOM 0 HA LYS C 26 6.683 -4.818 3.217 1.00 0.00 H new ATOM 0 HB2 LYS C 26 5.650 -6.024 5.235 1.00 0.00 H new ATOM 0 HB3 LYS C 26 7.203 -6.624 4.689 1.00 0.00 H new ATOM 0 HG2 LYS C 26 8.127 -4.879 6.492 1.00 0.00 H new ATOM 0 HG3 LYS C 26 6.529 -5.088 7.180 1.00 0.00 H new ATOM 0 HD2 LYS C 26 7.465 -6.886 8.225 1.00 0.00 H new ATOM 0 HD3 LYS C 26 7.176 -7.701 6.701 1.00 0.00 H new ATOM 0 HE2 LYS C 26 9.492 -6.868 5.957 1.00 0.00 H new ATOM 0 HE3 LYS C 26 9.754 -6.368 7.616 1.00 0.00 H new ATOM 0 HZ1 LYS C 26 10.340 -8.796 6.650 1.00 0.00 H new ATOM 0 HZ2 LYS C 26 10.056 -8.467 8.292 1.00 0.00 H new ATOM 0 HZ3 LYS C 26 8.810 -9.092 7.323 1.00 0.00 H new ATOM 405 N LEU C 27 4.737 -3.478 3.875 1.00 0.00 N ATOM 406 CA LEU C 27 3.624 -2.583 4.156 1.00 0.00 C ATOM 407 C LEU C 27 2.397 -3.418 4.490 1.00 0.00 C ATOM 408 O LEU C 27 1.902 -4.155 3.638 1.00 0.00 O ATOM 409 CB LEU C 27 3.275 -1.687 2.947 1.00 0.00 C ATOM 410 CG LEU C 27 4.418 -0.886 2.317 1.00 0.00 C ATOM 411 CD1 LEU C 27 5.269 -1.759 1.404 1.00 0.00 C ATOM 412 CD2 LEU C 27 3.865 0.301 1.543 1.00 0.00 C ATOM 0 H LEU C 27 4.590 -4.088 3.071 1.00 0.00 H new ATOM 0 HA LEU C 27 3.918 -1.942 4.987 1.00 0.00 H new ATOM 0 HB2 LEU C 27 2.838 -2.319 2.173 1.00 0.00 H new ATOM 0 HB3 LEU C 27 2.502 -0.985 3.259 1.00 0.00 H new ATOM 0 HG LEU C 27 5.055 -0.521 3.122 1.00 0.00 H new ATOM 0 HD11 LEU C 27 6.071 -1.161 0.973 1.00 0.00 H new ATOM 0 HD12 LEU C 27 5.697 -2.579 1.980 1.00 0.00 H new ATOM 0 HD13 LEU C 27 4.648 -2.163 0.605 1.00 0.00 H new ATOM 0 HD21 LEU C 27 4.688 0.862 1.100 1.00 0.00 H new ATOM 0 HD22 LEU C 27 3.203 -0.056 0.754 1.00 0.00 H new ATOM 0 HD23 LEU C 27 3.307 0.948 2.219 1.00 0.00 H new ATOM 424 N SER C 28 1.917 -3.332 5.718 1.00 0.00 N ATOM 425 CA SER C 28 0.671 -3.994 6.067 1.00 0.00 C ATOM 426 C SER C 28 -0.487 -3.062 5.730 1.00 0.00 C ATOM 427 O SER C 28 -0.815 -2.159 6.501 1.00 0.00 O ATOM 428 CB SER C 28 0.648 -4.355 7.553 1.00 0.00 C ATOM 429 OG SER C 28 -0.393 -5.274 7.845 1.00 0.00 O ATOM 0 H SER C 28 2.362 -2.819 6.480 1.00 0.00 H new ATOM 0 HA SER C 28 0.579 -4.919 5.499 1.00 0.00 H new ATOM 0 HB2 SER C 28 1.607 -4.786 7.839 1.00 0.00 H new ATOM 0 HB3 SER C 28 0.515 -3.451 8.147 1.00 0.00 H new ATOM 0 HG SER C 28 -0.382 -5.488 8.801 1.00 0.00 H new ATOM 435 N LEU C 29 -1.098 -3.289 4.580 1.00 0.00 N ATOM 436 CA LEU C 29 -2.112 -2.384 4.056 1.00 0.00 C ATOM 437 C LEU C 29 -3.464 -2.679 4.647 1.00 0.00 C ATOM 438 O LEU C 29 -3.953 -3.806 4.566 1.00 0.00 O ATOM 439 CB LEU C 29 -2.181 -2.498 2.535 1.00 0.00 C ATOM 440 CG LEU C 29 -0.842 -2.384 1.811 1.00 0.00 C ATOM 441 CD1 LEU C 29 -1.028 -2.649 0.330 1.00 0.00 C ATOM 442 CD2 LEU C 29 -0.219 -1.014 2.036 1.00 0.00 C ATOM 0 H LEU C 29 -0.909 -4.097 3.987 1.00 0.00 H new ATOM 0 HA LEU C 29 -1.830 -1.368 4.333 1.00 0.00 H new ATOM 0 HB2 LEU C 29 -2.633 -3.456 2.279 1.00 0.00 H new ATOM 0 HB3 LEU C 29 -2.846 -1.721 2.159 1.00 0.00 H new ATOM 0 HG LEU C 29 -0.163 -3.133 2.219 1.00 0.00 H new ATOM 0 HD11 LEU C 29 -0.067 -2.565 -0.178 1.00 0.00 H new ATOM 0 HD12 LEU C 29 -1.428 -3.653 0.187 1.00 0.00 H new ATOM 0 HD13 LEU C 29 -1.723 -1.919 -0.086 1.00 0.00 H new ATOM 0 HD21 LEU C 29 0.734 -0.957 1.510 1.00 0.00 H new ATOM 0 HD22 LEU C 29 -0.889 -0.243 1.657 1.00 0.00 H new ATOM 0 HD23 LEU C 29 -0.055 -0.860 3.102 1.00 0.00 H new ATOM 454 N SER C 30 -4.070 -1.667 5.245 1.00 0.00 N ATOM 455 CA SER C 30 -5.388 -1.828 5.790 1.00 0.00 C ATOM 456 C SER C 30 -6.184 -0.532 5.681 1.00 0.00 C ATOM 457 O SER C 30 -5.654 0.562 5.891 1.00 0.00 O ATOM 458 CB SER C 30 -5.303 -2.293 7.245 1.00 0.00 C ATOM 459 OG SER C 30 -6.586 -2.571 7.781 1.00 0.00 O ATOM 0 H SER C 30 -3.667 -0.737 5.360 1.00 0.00 H new ATOM 0 HA SER C 30 -5.911 -2.590 5.212 1.00 0.00 H new ATOM 0 HB2 SER C 30 -4.681 -3.186 7.306 1.00 0.00 H new ATOM 0 HB3 SER C 30 -4.816 -1.524 7.845 1.00 0.00 H new ATOM 0 HG SER C 30 -6.495 -2.867 8.711 1.00 0.00 H new ATOM 465 N MET C 31 -7.455 -0.669 5.336 1.00 0.00 N ATOM 466 CA MET C 31 -8.357 0.467 5.239 1.00 0.00 C ATOM 467 C MET C 31 -9.323 0.441 6.409 1.00 0.00 C ATOM 468 O MET C 31 -9.704 -0.631 6.879 1.00 0.00 O ATOM 469 CB MET C 31 -9.147 0.421 3.929 1.00 0.00 C ATOM 470 CG MET C 31 -8.278 0.350 2.687 1.00 0.00 C ATOM 471 SD MET C 31 -9.240 0.315 1.163 1.00 0.00 S ATOM 472 CE MET C 31 -10.227 -1.156 1.420 1.00 0.00 C ATOM 0 H MET C 31 -7.888 -1.566 5.117 1.00 0.00 H new ATOM 0 HA MET C 31 -7.768 1.384 5.259 1.00 0.00 H new ATOM 0 HB2 MET C 31 -9.810 -0.444 3.946 1.00 0.00 H new ATOM 0 HB3 MET C 31 -9.780 1.306 3.867 1.00 0.00 H new ATOM 0 HG2 MET C 31 -7.608 1.209 2.669 1.00 0.00 H new ATOM 0 HG3 MET C 31 -7.653 -0.541 2.737 1.00 0.00 H new ATOM 0 HE1 MET C 31 -10.729 -1.424 0.491 1.00 0.00 H new ATOM 0 HE2 MET C 31 -9.582 -1.977 1.734 1.00 0.00 H new ATOM 0 HE3 MET C 31 -10.972 -0.964 2.193 1.00 0.00 H new ATOM 482 N ASN C 32 -9.702 1.609 6.896 1.00 0.00 N ATOM 483 CA ASN C 32 -10.662 1.685 7.982 1.00 0.00 C ATOM 484 C ASN C 32 -11.506 2.948 7.863 1.00 0.00 C ATOM 485 O ASN C 32 -11.154 4.002 8.403 1.00 0.00 O ATOM 486 CB ASN C 32 -9.936 1.656 9.330 1.00 0.00 C ATOM 487 CG ASN C 32 -10.887 1.544 10.506 1.00 0.00 C ATOM 488 OD1 ASN C 32 -11.961 0.950 10.404 1.00 0.00 O ATOM 489 ND2 ASN C 32 -10.498 2.115 11.633 1.00 0.00 N ATOM 0 H ASN C 32 -9.363 2.511 6.560 1.00 0.00 H new ATOM 0 HA ASN C 32 -11.325 0.822 7.921 1.00 0.00 H new ATOM 0 HB2 ASN C 32 -9.244 0.814 9.347 1.00 0.00 H new ATOM 0 HB3 ASN C 32 -9.339 2.562 9.436 1.00 0.00 H new ATOM 0 HD21 ASN C 32 -11.095 2.073 12.459 1.00 0.00 H new ATOM 0 HD22 ASN C 32 -9.601 2.598 11.677 1.00 0.00 H new ATOM 496 N GLY C 33 -12.620 2.831 7.152 1.00 0.00 N ATOM 497 CA GLY C 33 -13.553 3.935 7.010 1.00 0.00 C ATOM 498 C GLY C 33 -12.991 5.084 6.187 1.00 0.00 C ATOM 499 O GLY C 33 -13.074 5.074 4.960 1.00 0.00 O ATOM 0 H GLY C 33 -12.898 1.979 6.664 1.00 0.00 H new ATOM 0 HA2 GLY C 33 -14.468 3.573 6.541 1.00 0.00 H new ATOM 0 HA3 GLY C 33 -13.826 4.303 7.999 1.00 0.00 H new ATOM 503 N ASN C 34 -12.410 6.070 6.858 1.00 0.00 N ATOM 504 CA ASN C 34 -11.862 7.238 6.183 1.00 0.00 C ATOM 505 C ASN C 34 -10.350 7.268 6.315 1.00 0.00 C ATOM 506 O ASN C 34 -9.730 8.332 6.269 1.00 0.00 O ATOM 507 CB ASN C 34 -12.429 8.530 6.776 1.00 0.00 C ATOM 508 CG ASN C 34 -12.142 8.664 8.264 1.00 0.00 C ATOM 509 OD1 ASN C 34 -13.023 8.447 9.093 1.00 0.00 O ATOM 510 ND2 ASN C 34 -10.893 8.952 8.611 1.00 0.00 N ATOM 0 H ASN C 34 -12.306 6.083 7.873 1.00 0.00 H new ATOM 0 HA ASN C 34 -12.141 7.169 5.132 1.00 0.00 H new ATOM 0 HB2 ASN C 34 -12.004 9.385 6.249 1.00 0.00 H new ATOM 0 HB3 ASN C 34 -13.506 8.558 6.613 1.00 0.00 H new ATOM 0 HD21 ASN C 34 -10.636 9.000 9.597 1.00 0.00 H new ATOM 0 HD22 ASN C 34 -10.191 9.126 7.892 1.00 0.00 H new ATOM 517 N GLN C 35 -9.754 6.112 6.475 1.00 0.00 N ATOM 518 CA GLN C 35 -8.347 6.046 6.782 1.00 0.00 C ATOM 519 C GLN C 35 -7.659 4.917 6.044 1.00 0.00 C ATOM 520 O GLN C 35 -8.222 3.839 5.848 1.00 0.00 O ATOM 521 CB GLN C 35 -8.136 5.865 8.283 1.00 0.00 C ATOM 522 CG GLN C 35 -6.670 5.829 8.664 1.00 0.00 C ATOM 523 CD GLN C 35 -6.437 5.538 10.136 1.00 0.00 C ATOM 524 OE1 GLN C 35 -5.418 4.961 10.510 1.00 0.00 O ATOM 525 NE2 GLN C 35 -7.374 5.936 10.982 1.00 0.00 N ATOM 0 H GLN C 35 -10.219 5.208 6.398 1.00 0.00 H new ATOM 0 HA GLN C 35 -7.906 6.988 6.456 1.00 0.00 H new ATOM 0 HB2 GLN C 35 -8.626 6.679 8.816 1.00 0.00 H new ATOM 0 HB3 GLN C 35 -8.614 4.940 8.605 1.00 0.00 H new ATOM 0 HG2 GLN C 35 -6.165 5.070 8.067 1.00 0.00 H new ATOM 0 HG3 GLN C 35 -6.213 6.787 8.414 1.00 0.00 H new ATOM 0 HE21 GLN C 35 -8.206 6.412 10.634 1.00 0.00 H new ATOM 0 HE22 GLN C 35 -7.264 5.767 11.982 1.00 0.00 H new ATOM 534 N LEU C 36 -6.435 5.193 5.643 1.00 0.00 N ATOM 535 CA LEU C 36 -5.540 4.190 5.120 1.00 0.00 C ATOM 536 C LEU C 36 -4.344 4.135 6.056 1.00 0.00 C ATOM 537 O LEU C 36 -3.647 5.132 6.230 1.00 0.00 O ATOM 538 CB LEU C 36 -5.112 4.562 3.690 1.00 0.00 C ATOM 539 CG LEU C 36 -4.413 3.466 2.863 1.00 0.00 C ATOM 540 CD1 LEU C 36 -3.074 3.062 3.468 1.00 0.00 C ATOM 541 CD2 LEU C 36 -5.310 2.250 2.713 1.00 0.00 C ATOM 0 H LEU C 36 -6.033 6.130 5.673 1.00 0.00 H new ATOM 0 HA LEU C 36 -6.022 3.214 5.067 1.00 0.00 H new ATOM 0 HB2 LEU C 36 -5.998 4.885 3.144 1.00 0.00 H new ATOM 0 HB3 LEU C 36 -4.443 5.421 3.749 1.00 0.00 H new ATOM 0 HG LEU C 36 -4.217 3.885 1.876 1.00 0.00 H new ATOM 0 HD11 LEU C 36 -2.616 2.287 2.853 1.00 0.00 H new ATOM 0 HD12 LEU C 36 -2.416 3.930 3.508 1.00 0.00 H new ATOM 0 HD13 LEU C 36 -3.231 2.679 4.476 1.00 0.00 H new ATOM 0 HD21 LEU C 36 -4.796 1.489 2.126 1.00 0.00 H new ATOM 0 HD22 LEU C 36 -5.547 1.849 3.698 1.00 0.00 H new ATOM 0 HD23 LEU C 36 -6.232 2.538 2.207 1.00 0.00 H new ATOM 553 N LYS C 37 -4.134 2.993 6.679 1.00 0.00 N ATOM 554 CA LYS C 37 -3.042 2.836 7.623 1.00 0.00 C ATOM 555 C LYS C 37 -2.207 1.633 7.217 1.00 0.00 C ATOM 556 O LYS C 37 -2.725 0.673 6.640 1.00 0.00 O ATOM 557 CB LYS C 37 -3.571 2.661 9.050 1.00 0.00 C ATOM 558 CG LYS C 37 -4.438 1.427 9.252 1.00 0.00 C ATOM 559 CD LYS C 37 -4.910 1.321 10.692 1.00 0.00 C ATOM 560 CE LYS C 37 -5.754 0.079 10.925 1.00 0.00 C ATOM 561 NZ LYS C 37 -4.952 -1.172 10.843 1.00 0.00 N1+ ATOM 0 H LYS C 37 -4.705 2.158 6.549 1.00 0.00 H new ATOM 0 HA LYS C 37 -2.425 3.734 7.607 1.00 0.00 H new ATOM 0 HB2 LYS C 37 -2.724 2.611 9.735 1.00 0.00 H new ATOM 0 HB3 LYS C 37 -4.149 3.545 9.321 1.00 0.00 H new ATOM 0 HG2 LYS C 37 -5.300 1.471 8.586 1.00 0.00 H new ATOM 0 HG3 LYS C 37 -3.873 0.534 8.984 1.00 0.00 H new ATOM 0 HD2 LYS C 37 -4.046 1.302 11.356 1.00 0.00 H new ATOM 0 HD3 LYS C 37 -5.490 2.207 10.949 1.00 0.00 H new ATOM 0 HE2 LYS C 37 -6.226 0.142 11.905 1.00 0.00 H new ATOM 0 HE3 LYS C 37 -6.555 0.043 10.187 1.00 0.00 H new ATOM 0 HZ1 LYS C 37 -5.368 -1.805 10.130 1.00 0.00 H new ATOM 0 HZ2 LYS C 37 -3.975 -0.941 10.573 1.00 0.00 H new ATOM 0 HZ3 LYS C 37 -4.952 -1.646 11.769 1.00 0.00 H new ATOM 575 N ALA C 38 -0.923 1.691 7.497 1.00 0.00 N ATOM 576 CA ALA C 38 -0.022 0.619 7.131 1.00 0.00 C ATOM 577 C ALA C 38 1.124 0.535 8.115 1.00 0.00 C ATOM 578 O ALA C 38 1.688 1.554 8.506 1.00 0.00 O ATOM 579 CB ALA C 38 0.503 0.829 5.718 1.00 0.00 C ATOM 0 H ALA C 38 -0.478 2.472 7.979 1.00 0.00 H new ATOM 0 HA ALA C 38 -0.571 -0.322 7.160 1.00 0.00 H new ATOM 0 HB1 ALA C 38 1.179 0.015 5.456 1.00 0.00 H new ATOM 0 HB2 ALA C 38 -0.332 0.846 5.018 1.00 0.00 H new ATOM 0 HB3 ALA C 38 1.039 1.777 5.666 1.00 0.00 H new ATOM 585 N THR C 39 1.450 -0.673 8.534 1.00 0.00 N ATOM 586 CA THR C 39 2.597 -0.871 9.388 1.00 0.00 C ATOM 587 C THR C 39 3.776 -1.328 8.543 1.00 0.00 C ATOM 588 O THR C 39 3.677 -2.303 7.793 1.00 0.00 O ATOM 589 CB THR C 39 2.330 -1.904 10.499 1.00 0.00 C ATOM 590 OG1 THR C 39 2.177 -3.201 9.921 1.00 0.00 O ATOM 591 CG2 THR C 39 1.082 -1.543 11.293 1.00 0.00 C ATOM 0 H THR C 39 0.939 -1.524 8.297 1.00 0.00 H new ATOM 0 HA THR C 39 2.817 0.080 9.874 1.00 0.00 H new ATOM 0 HB THR C 39 3.180 -1.904 11.181 1.00 0.00 H new ATOM 0 HG1 THR C 39 2.640 -3.231 9.058 1.00 0.00 H new ATOM 0 HG21 THR C 39 0.917 -2.289 12.071 1.00 0.00 H new ATOM 0 HG22 THR C 39 1.214 -0.563 11.752 1.00 0.00 H new ATOM 0 HG23 THR C 39 0.221 -1.518 10.626 1.00 0.00 H new ATOM 599 N SER C 40 4.868 -0.613 8.654 1.00 0.00 N ATOM 600 CA SER C 40 6.066 -0.912 7.901 1.00 0.00 C ATOM 601 C SER C 40 7.130 -1.449 8.830 1.00 0.00 C ATOM 602 O SER C 40 7.544 -0.777 9.776 1.00 0.00 O ATOM 603 CB SER C 40 6.567 0.338 7.191 1.00 0.00 C ATOM 604 OG SER C 40 7.820 0.104 6.576 1.00 0.00 O ATOM 0 H SER C 40 4.954 0.195 9.270 1.00 0.00 H new ATOM 0 HA SER C 40 5.836 -1.667 7.150 1.00 0.00 H new ATOM 0 HB2 SER C 40 5.841 0.649 6.439 1.00 0.00 H new ATOM 0 HB3 SER C 40 6.656 1.156 7.906 1.00 0.00 H new ATOM 0 HG SER C 40 8.446 0.815 6.827 1.00 0.00 H new ATOM 610 N SER C 41 7.563 -2.663 8.571 1.00 0.00 N ATOM 611 CA SER C 41 8.568 -3.282 9.396 1.00 0.00 C ATOM 612 C SER C 41 9.877 -3.394 8.627 1.00 0.00 C ATOM 613 O SER C 41 9.946 -2.999 7.456 1.00 0.00 O ATOM 614 CB SER C 41 8.082 -4.653 9.875 1.00 0.00 C ATOM 615 OG SER C 41 8.907 -5.163 10.910 1.00 0.00 O ATOM 0 H SER C 41 7.233 -3.238 7.796 1.00 0.00 H new ATOM 0 HA SER C 41 8.746 -2.663 10.275 1.00 0.00 H new ATOM 0 HB2 SER C 41 7.056 -4.572 10.233 1.00 0.00 H new ATOM 0 HB3 SER C 41 8.074 -5.351 9.037 1.00 0.00 H new ATOM 0 HG SER C 41 8.570 -6.038 11.196 1.00 0.00 H new ATOM 621 N ASN C 42 10.892 -3.936 9.303 1.00 0.00 N ATOM 622 CA ASN C 42 12.262 -4.019 8.791 1.00 0.00 C ATOM 623 C ASN C 42 12.967 -2.680 8.928 1.00 0.00 C ATOM 624 O ASN C 42 13.875 -2.360 8.163 1.00 0.00 O ATOM 625 CB ASN C 42 12.319 -4.524 7.344 1.00 0.00 C ATOM 626 CG ASN C 42 13.360 -5.610 7.157 1.00 0.00 C ATOM 627 OD1 ASN C 42 13.152 -6.562 6.414 1.00 0.00 O ATOM 628 ND2 ASN C 42 14.499 -5.467 7.817 1.00 0.00 N ATOM 0 H ASN C 42 10.784 -4.336 10.235 1.00 0.00 H new ATOM 0 HA ASN C 42 12.787 -4.755 9.400 1.00 0.00 H new ATOM 0 HB2 ASN C 42 11.340 -4.908 7.056 1.00 0.00 H new ATOM 0 HB3 ASN C 42 12.543 -3.690 6.679 1.00 0.00 H new ATOM 0 HD21 ASN C 42 15.238 -6.163 7.715 1.00 0.00 H new ATOM 0 HD22 ASN C 42 14.637 -4.661 8.427 1.00 0.00 H new ATOM 635 N ALA C 43 12.526 -1.907 9.918 1.00 0.00 N ATOM 636 CA ALA C 43 13.174 -0.655 10.302 1.00 0.00 C ATOM 637 C ALA C 43 13.304 0.319 9.134 1.00 0.00 C ATOM 638 O ALA C 43 14.266 1.086 9.052 1.00 0.00 O ATOM 639 CB ALA C 43 14.534 -0.937 10.915 1.00 0.00 C ATOM 0 H ALA C 43 11.705 -2.133 10.479 1.00 0.00 H new ATOM 0 HA ALA C 43 12.536 -0.175 11.043 1.00 0.00 H new ATOM 0 HB1 ALA C 43 15.008 0.003 11.197 1.00 0.00 H new ATOM 0 HB2 ALA C 43 14.412 -1.562 11.800 1.00 0.00 H new ATOM 0 HB3 ALA C 43 15.160 -1.455 10.189 1.00 0.00 H new ATOM 645 N GLY C 44 12.339 0.281 8.232 1.00 0.00 N ATOM 646 CA GLY C 44 12.310 1.238 7.148 1.00 0.00 C ATOM 647 C GLY C 44 13.003 0.740 5.896 1.00 0.00 C ATOM 648 O GLY C 44 12.833 1.328 4.828 1.00 0.00 O ATOM 0 H GLY C 44 11.575 -0.395 8.230 1.00 0.00 H new ATOM 0 HA2 GLY C 44 11.274 1.478 6.911 1.00 0.00 H new ATOM 0 HA3 GLY C 44 12.785 2.163 7.475 1.00 0.00 H new ATOM 652 N TYR C 45 13.779 -0.336 6.020 1.00 0.00 N ATOM 653 CA TYR C 45 14.473 -0.914 4.871 1.00 0.00 C ATOM 654 C TYR C 45 13.484 -1.244 3.768 1.00 0.00 C ATOM 655 O TYR C 45 12.461 -1.873 4.014 1.00 0.00 O ATOM 656 CB TYR C 45 15.250 -2.169 5.271 1.00 0.00 C ATOM 657 CG TYR C 45 16.592 -1.878 5.910 1.00 0.00 C ATOM 658 CD1 TYR C 45 16.717 -1.702 7.285 1.00 0.00 C ATOM 659 CD2 TYR C 45 17.740 -1.780 5.132 1.00 0.00 C ATOM 660 CE1 TYR C 45 17.944 -1.437 7.861 1.00 0.00 C ATOM 661 CE2 TYR C 45 18.969 -1.515 5.702 1.00 0.00 C ATOM 662 CZ TYR C 45 19.067 -1.344 7.065 1.00 0.00 C ATOM 663 OH TYR C 45 20.293 -1.082 7.635 1.00 0.00 O ATOM 0 H TYR C 45 13.942 -0.823 6.901 1.00 0.00 H new ATOM 0 HA TYR C 45 15.184 -0.175 4.502 1.00 0.00 H new ATOM 0 HB2 TYR C 45 14.646 -2.753 5.965 1.00 0.00 H new ATOM 0 HB3 TYR C 45 15.405 -2.787 4.386 1.00 0.00 H new ATOM 0 HD1 TYR C 45 15.840 -1.774 7.912 1.00 0.00 H new ATOM 0 HD2 TYR C 45 17.669 -1.914 4.063 1.00 0.00 H new ATOM 0 HE1 TYR C 45 18.024 -1.303 8.930 1.00 0.00 H new ATOM 0 HE2 TYR C 45 19.850 -1.442 5.082 1.00 0.00 H new ATOM 0 HH TYR C 45 20.979 -1.050 6.936 1.00 0.00 H new ATOM 673 N GLY C 46 13.800 -0.801 2.558 1.00 0.00 N ATOM 674 CA GLY C 46 12.902 -0.955 1.435 1.00 0.00 C ATOM 675 C GLY C 46 12.837 -2.376 0.918 1.00 0.00 C ATOM 676 O GLY C 46 12.060 -3.196 1.401 1.00 0.00 O ATOM 0 H GLY C 46 14.677 -0.331 2.335 1.00 0.00 H new ATOM 0 HA2 GLY C 46 11.902 -0.636 1.730 1.00 0.00 H new ATOM 0 HA3 GLY C 46 13.222 -0.295 0.628 1.00 0.00 H new ATOM 680 N ILE C 47 13.643 -2.660 -0.087 1.00 0.00 N ATOM 681 CA ILE C 47 13.710 -3.994 -0.649 1.00 0.00 C ATOM 682 C ILE C 47 15.030 -4.619 -0.314 1.00 0.00 C ATOM 683 O ILE C 47 15.109 -5.561 0.448 1.00 0.00 O ATOM 684 CB ILE C 47 13.623 -3.980 -2.172 1.00 0.00 C ATOM 685 CG1 ILE C 47 12.453 -3.136 -2.638 1.00 0.00 C ATOM 686 CG2 ILE C 47 13.516 -5.400 -2.717 1.00 0.00 C ATOM 687 CD1 ILE C 47 12.498 -2.844 -4.114 1.00 0.00 C ATOM 0 H ILE C 47 14.262 -1.982 -0.532 1.00 0.00 H new ATOM 0 HA ILE C 47 12.870 -4.548 -0.231 1.00 0.00 H new ATOM 0 HB ILE C 47 14.538 -3.533 -2.561 1.00 0.00 H new ATOM 0 HG12 ILE C 47 11.522 -3.651 -2.402 1.00 0.00 H new ATOM 0 HG13 ILE C 47 12.446 -2.196 -2.086 1.00 0.00 H new ATOM 0 HG21 ILE C 47 13.455 -5.369 -3.805 1.00 0.00 H new ATOM 0 HG22 ILE C 47 14.395 -5.971 -2.419 1.00 0.00 H new ATOM 0 HG23 ILE C 47 12.621 -5.877 -2.317 1.00 0.00 H new ATOM 0 HD11 ILE C 47 11.636 -2.237 -4.391 1.00 0.00 H new ATOM 0 HD12 ILE C 47 13.414 -2.303 -4.350 1.00 0.00 H new ATOM 0 HD13 ILE C 47 12.476 -3.781 -4.671 1.00 0.00 H new ATOM 699 N SER C 48 16.071 -4.058 -0.892 1.00 0.00 N ATOM 700 CA SER C 48 17.396 -4.595 -0.754 1.00 0.00 C ATOM 701 C SER C 48 18.364 -3.763 -1.590 1.00 0.00 C ATOM 702 O SER C 48 19.364 -3.251 -1.080 1.00 0.00 O ATOM 703 CB SER C 48 17.426 -6.064 -1.197 1.00 0.00 C ATOM 704 OG SER C 48 18.678 -6.666 -0.916 1.00 0.00 O ATOM 0 H SER C 48 16.016 -3.218 -1.469 1.00 0.00 H new ATOM 0 HA SER C 48 17.697 -4.552 0.293 1.00 0.00 H new ATOM 0 HB2 SER C 48 16.634 -6.615 -0.689 1.00 0.00 H new ATOM 0 HB3 SER C 48 17.223 -6.127 -2.266 1.00 0.00 H new ATOM 0 HG SER C 48 18.664 -7.601 -1.208 1.00 0.00 H new ATOM 710 N TYR C 49 18.041 -3.612 -2.876 1.00 0.00 N ATOM 711 CA TYR C 49 18.862 -2.831 -3.796 1.00 0.00 C ATOM 712 C TYR C 49 18.098 -2.547 -5.095 1.00 0.00 C ATOM 713 O TYR C 49 18.222 -1.468 -5.673 1.00 0.00 O ATOM 714 CB TYR C 49 20.170 -3.573 -4.096 1.00 0.00 C ATOM 715 CG TYR C 49 21.225 -2.719 -4.794 1.00 0.00 C ATOM 716 CD1 TYR C 49 21.181 -2.481 -6.170 1.00 0.00 C ATOM 717 CD2 TYR C 49 22.275 -2.149 -4.071 1.00 0.00 C ATOM 718 CE1 TYR C 49 22.141 -1.710 -6.791 1.00 0.00 C ATOM 719 CE2 TYR C 49 23.235 -1.377 -4.695 1.00 0.00 C ATOM 720 CZ TYR C 49 23.164 -1.162 -6.051 1.00 0.00 C ATOM 721 OH TYR C 49 24.123 -0.398 -6.677 1.00 0.00 O ATOM 0 H TYR C 49 17.211 -4.024 -3.303 1.00 0.00 H new ATOM 0 HA TYR C 49 19.100 -1.877 -3.324 1.00 0.00 H new ATOM 0 HB2 TYR C 49 20.584 -3.950 -3.161 1.00 0.00 H new ATOM 0 HB3 TYR C 49 19.949 -4.440 -4.719 1.00 0.00 H new ATOM 0 HD1 TYR C 49 20.382 -2.908 -6.757 1.00 0.00 H new ATOM 0 HD2 TYR C 49 22.337 -2.315 -3.006 1.00 0.00 H new ATOM 0 HE1 TYR C 49 22.090 -1.537 -7.856 1.00 0.00 H new ATOM 0 HE2 TYR C 49 24.039 -0.943 -4.119 1.00 0.00 H new ATOM 0 HH TYR C 49 24.774 -0.084 -6.015 1.00 0.00 H new ATOM 731 N GLU C 50 17.312 -3.520 -5.549 1.00 0.00 N ATOM 732 CA GLU C 50 16.509 -3.365 -6.769 1.00 0.00 C ATOM 733 C GLU C 50 15.366 -2.380 -6.551 1.00 0.00 C ATOM 734 O GLU C 50 15.099 -1.976 -5.424 1.00 0.00 O ATOM 735 CB GLU C 50 15.953 -4.723 -7.211 1.00 0.00 C ATOM 736 CG GLU C 50 15.089 -5.398 -6.155 1.00 0.00 C ATOM 737 CD GLU C 50 14.535 -6.733 -6.609 1.00 0.00 C ATOM 738 OE1 GLU C 50 15.264 -7.744 -6.532 1.00 0.00 O ATOM 739 OE2 GLU C 50 13.360 -6.784 -7.029 1.00 0.00 O1- ATOM 0 H GLU C 50 17.211 -4.427 -5.093 1.00 0.00 H new ATOM 0 HA GLU C 50 17.156 -2.970 -7.552 1.00 0.00 H new ATOM 0 HB2 GLU C 50 15.365 -4.588 -8.118 1.00 0.00 H new ATOM 0 HB3 GLU C 50 16.784 -5.382 -7.465 1.00 0.00 H new ATOM 0 HG2 GLU C 50 15.679 -5.544 -5.250 1.00 0.00 H new ATOM 0 HG3 GLU C 50 14.262 -4.738 -5.893 1.00 0.00 H new ATOM 746 N ASP C 51 14.691 -1.999 -7.633 1.00 0.00 N ATOM 747 CA ASP C 51 13.617 -1.010 -7.559 1.00 0.00 C ATOM 748 C ASP C 51 12.332 -1.546 -8.157 1.00 0.00 C ATOM 749 O ASP C 51 12.356 -2.408 -9.035 1.00 0.00 O ATOM 750 CB ASP C 51 14.004 0.281 -8.285 1.00 0.00 C ATOM 751 CG ASP C 51 14.079 0.128 -9.791 1.00 0.00 C ATOM 752 OD1 ASP C 51 15.145 -0.280 -10.295 1.00 0.00 O ATOM 753 OD2 ASP C 51 13.079 0.431 -10.480 1.00 0.00 O1- ATOM 0 H ASP C 51 14.868 -2.359 -8.571 1.00 0.00 H new ATOM 0 HA ASP C 51 13.457 -0.795 -6.502 1.00 0.00 H new ATOM 0 HB2 ASP C 51 13.278 1.057 -8.042 1.00 0.00 H new ATOM 0 HB3 ASP C 51 14.971 0.622 -7.914 1.00 0.00 H new ATOM 758 N LYS C 52 11.209 -1.024 -7.677 1.00 0.00 N ATOM 759 CA LYS C 52 9.907 -1.441 -8.166 1.00 0.00 C ATOM 760 C LYS C 52 9.072 -0.232 -8.525 1.00 0.00 C ATOM 761 O LYS C 52 9.119 0.801 -7.850 1.00 0.00 O ATOM 762 CB LYS C 52 9.160 -2.256 -7.115 1.00 0.00 C ATOM 763 CG LYS C 52 10.065 -3.155 -6.310 1.00 0.00 C ATOM 764 CD LYS C 52 10.588 -4.327 -7.114 1.00 0.00 C ATOM 765 CE LYS C 52 9.479 -5.321 -7.434 1.00 0.00 C ATOM 766 NZ LYS C 52 8.844 -5.856 -6.195 1.00 0.00 N1+ ATOM 0 H LYS C 52 11.178 -0.311 -6.949 1.00 0.00 H new ATOM 0 HA LYS C 52 10.069 -2.059 -9.049 1.00 0.00 H new ATOM 0 HB2 LYS C 52 8.639 -1.577 -6.440 1.00 0.00 H new ATOM 0 HB3 LYS C 52 8.400 -2.862 -7.607 1.00 0.00 H new ATOM 0 HG2 LYS C 52 10.906 -2.574 -5.933 1.00 0.00 H new ATOM 0 HG3 LYS C 52 9.521 -3.528 -5.442 1.00 0.00 H new ATOM 0 HD2 LYS C 52 11.032 -3.965 -8.041 1.00 0.00 H new ATOM 0 HD3 LYS C 52 11.379 -4.829 -6.556 1.00 0.00 H new ATOM 0 HE2 LYS C 52 8.722 -4.836 -8.051 1.00 0.00 H new ATOM 0 HE3 LYS C 52 9.887 -6.145 -8.019 1.00 0.00 H new ATOM 0 HZ1 LYS C 52 8.230 -6.659 -6.439 1.00 0.00 H new ATOM 0 HZ2 LYS C 52 9.583 -6.173 -5.535 1.00 0.00 H new ATOM 0 HZ3 LYS C 52 8.276 -5.109 -5.746 1.00 0.00 H new ATOM 780 N ASN C 53 8.308 -0.395 -9.575 1.00 0.00 N ATOM 781 CA ASN C 53 7.405 0.630 -10.065 1.00 0.00 C ATOM 782 C ASN C 53 6.028 0.435 -9.440 1.00 0.00 C ATOM 783 O ASN C 53 5.286 -0.485 -9.793 1.00 0.00 O ATOM 784 CB ASN C 53 7.366 0.567 -11.591 1.00 0.00 C ATOM 785 CG ASN C 53 6.208 1.308 -12.210 1.00 0.00 C ATOM 786 OD1 ASN C 53 6.235 2.525 -12.369 1.00 0.00 O ATOM 787 ND2 ASN C 53 5.207 0.560 -12.611 1.00 0.00 N ATOM 0 H ASN C 53 8.291 -1.254 -10.125 1.00 0.00 H new ATOM 0 HA ASN C 53 7.753 1.623 -9.780 1.00 0.00 H new ATOM 0 HB2 ASN C 53 8.297 0.976 -11.984 1.00 0.00 H new ATOM 0 HB3 ASN C 53 7.321 -0.477 -11.899 1.00 0.00 H new ATOM 0 HD21 ASN C 53 4.406 0.987 -13.077 1.00 0.00 H new ATOM 0 HD22 ASN C 53 5.230 -0.448 -12.457 1.00 0.00 H new ATOM 794 N TRP C 54 5.712 1.296 -8.484 1.00 0.00 N ATOM 795 CA TRP C 54 4.570 1.104 -7.614 1.00 0.00 C ATOM 796 C TRP C 54 3.479 2.158 -7.813 1.00 0.00 C ATOM 797 O TRP C 54 3.733 3.178 -8.436 1.00 0.00 O ATOM 798 CB TRP C 54 5.079 1.163 -6.197 1.00 0.00 C ATOM 799 CG TRP C 54 4.828 -0.096 -5.486 1.00 0.00 C ATOM 800 CD1 TRP C 54 5.650 -1.160 -5.326 1.00 0.00 C ATOM 801 CD2 TRP C 54 3.622 -0.407 -4.871 1.00 0.00 C ATOM 802 NE1 TRP C 54 4.994 -2.139 -4.606 1.00 0.00 N ATOM 803 CE2 TRP C 54 3.728 -1.680 -4.314 1.00 0.00 C ATOM 804 CE3 TRP C 54 2.462 0.305 -4.746 1.00 0.00 C ATOM 805 CZ2 TRP C 54 2.664 -2.255 -3.624 1.00 0.00 C ATOM 806 CZ3 TRP C 54 1.426 -0.241 -4.076 1.00 0.00 C ATOM 807 CH2 TRP C 54 1.523 -1.515 -3.516 1.00 0.00 C ATOM 0 H TRP C 54 6.242 2.146 -8.293 1.00 0.00 H new ATOM 0 HA TRP C 54 4.109 0.144 -7.848 1.00 0.00 H new ATOM 0 HB2 TRP C 54 6.148 1.373 -6.201 1.00 0.00 H new ATOM 0 HB3 TRP C 54 4.595 1.984 -5.669 1.00 0.00 H new ATOM 0 HD1 TRP C 54 6.660 -1.232 -5.702 1.00 0.00 H new ATOM 0 HE1 TRP C 54 5.380 -3.044 -4.337 1.00 0.00 H new ATOM 0 HE3 TRP C 54 2.376 1.291 -5.178 1.00 0.00 H new ATOM 0 HZ2 TRP C 54 2.739 -3.243 -3.194 1.00 0.00 H new ATOM 0 HZ3 TRP C 54 0.507 0.317 -3.972 1.00 0.00 H new ATOM 0 HH2 TRP C 54 0.676 -1.924 -2.985 1.00 0.00 H new ATOM 818 N GLY C 55 2.259 1.925 -7.280 1.00 0.00 N ATOM 819 CA GLY C 55 1.223 2.926 -7.405 1.00 0.00 C ATOM 820 C GLY C 55 0.045 2.745 -6.464 1.00 0.00 C ATOM 821 O GLY C 55 -0.193 1.662 -5.942 1.00 0.00 O ATOM 0 H GLY C 55 1.991 1.078 -6.779 1.00 0.00 H new ATOM 0 HA2 GLY C 55 1.663 3.908 -7.229 1.00 0.00 H new ATOM 0 HA3 GLY C 55 0.855 2.921 -8.431 1.00 0.00 H new ATOM 825 N ILE C 56 -0.678 3.833 -6.221 1.00 0.00 N ATOM 826 CA ILE C 56 -1.956 3.765 -5.516 1.00 0.00 C ATOM 827 C ILE C 56 -3.089 4.293 -6.392 1.00 0.00 C ATOM 828 O ILE C 56 -2.998 5.389 -6.951 1.00 0.00 O ATOM 829 CB ILE C 56 -1.951 4.563 -4.189 1.00 0.00 C ATOM 830 CG1 ILE C 56 -1.049 3.916 -3.145 1.00 0.00 C ATOM 831 CG2 ILE C 56 -3.365 4.670 -3.630 1.00 0.00 C ATOM 832 CD1 ILE C 56 0.434 4.018 -3.427 1.00 0.00 C ATOM 0 H ILE C 56 -0.402 4.774 -6.502 1.00 0.00 H new ATOM 0 HA ILE C 56 -2.113 2.712 -5.285 1.00 0.00 H new ATOM 0 HB ILE C 56 -1.564 5.557 -4.412 1.00 0.00 H new ATOM 0 HG12 ILE C 56 -1.252 4.375 -2.177 1.00 0.00 H new ATOM 0 HG13 ILE C 56 -1.315 2.862 -3.060 1.00 0.00 H new ATOM 0 HG21 ILE C 56 -3.346 5.233 -2.697 1.00 0.00 H new ATOM 0 HG22 ILE C 56 -4.003 5.182 -4.350 1.00 0.00 H new ATOM 0 HG23 ILE C 56 -3.759 3.671 -3.442 1.00 0.00 H new ATOM 0 HD11 ILE C 56 0.991 3.528 -2.628 1.00 0.00 H new ATOM 0 HD12 ILE C 56 0.658 3.531 -4.376 1.00 0.00 H new ATOM 0 HD13 ILE C 56 0.723 5.068 -3.480 1.00 0.00 H new ATOM 844 N PHE C 57 -4.152 3.506 -6.500 1.00 0.00 N ATOM 845 CA PHE C 57 -5.336 3.893 -7.251 1.00 0.00 C ATOM 846 C PHE C 57 -6.576 3.825 -6.359 1.00 0.00 C ATOM 847 O PHE C 57 -7.059 2.746 -6.048 1.00 0.00 O ATOM 848 CB PHE C 57 -5.554 2.963 -8.452 1.00 0.00 C ATOM 849 CG PHE C 57 -4.439 2.938 -9.457 1.00 0.00 C ATOM 850 CD1 PHE C 57 -4.572 3.588 -10.673 1.00 0.00 C ATOM 851 CD2 PHE C 57 -3.267 2.244 -9.198 1.00 0.00 C ATOM 852 CE1 PHE C 57 -3.557 3.549 -11.608 1.00 0.00 C ATOM 853 CE2 PHE C 57 -2.249 2.205 -10.127 1.00 0.00 C ATOM 854 CZ PHE C 57 -2.395 2.857 -11.335 1.00 0.00 C ATOM 0 H PHE C 57 -4.216 2.583 -6.070 1.00 0.00 H new ATOM 0 HA PHE C 57 -5.181 4.913 -7.604 1.00 0.00 H new ATOM 0 HB2 PHE C 57 -5.710 1.950 -8.082 1.00 0.00 H new ATOM 0 HB3 PHE C 57 -6.471 3.261 -8.959 1.00 0.00 H new ATOM 0 HD1 PHE C 57 -5.479 4.131 -10.892 1.00 0.00 H new ATOM 0 HD2 PHE C 57 -3.150 1.727 -8.257 1.00 0.00 H new ATOM 0 HE1 PHE C 57 -3.672 4.060 -12.553 1.00 0.00 H new ATOM 0 HE2 PHE C 57 -1.339 1.665 -9.910 1.00 0.00 H new ATOM 0 HZ PHE C 57 -1.600 2.825 -12.066 1.00 0.00 H new ATOM 864 N VAL C 58 -7.093 4.962 -5.937 1.00 0.00 N ATOM 865 CA VAL C 58 -8.356 4.972 -5.217 1.00 0.00 C ATOM 866 C VAL C 58 -9.490 5.213 -6.211 1.00 0.00 C ATOM 867 O VAL C 58 -9.588 6.285 -6.810 1.00 0.00 O ATOM 868 CB VAL C 58 -8.383 6.013 -4.068 1.00 0.00 C ATOM 869 CG1 VAL C 58 -8.137 7.423 -4.580 1.00 0.00 C ATOM 870 CG2 VAL C 58 -9.701 5.937 -3.310 1.00 0.00 C ATOM 0 H VAL C 58 -6.668 5.879 -6.076 1.00 0.00 H new ATOM 0 HA VAL C 58 -8.484 4.001 -4.739 1.00 0.00 H new ATOM 0 HB VAL C 58 -7.571 5.769 -3.383 1.00 0.00 H new ATOM 0 HG11 VAL C 58 -8.164 8.123 -3.745 1.00 0.00 H new ATOM 0 HG12 VAL C 58 -7.160 7.470 -5.062 1.00 0.00 H new ATOM 0 HG13 VAL C 58 -8.910 7.688 -5.301 1.00 0.00 H new ATOM 0 HG21 VAL C 58 -9.702 6.675 -2.507 1.00 0.00 H new ATOM 0 HG22 VAL C 58 -10.526 6.142 -3.993 1.00 0.00 H new ATOM 0 HG23 VAL C 58 -9.820 4.940 -2.887 1.00 0.00 H new ATOM 880 N ASN C 59 -10.318 4.192 -6.412 1.00 0.00 N ATOM 881 CA ASN C 59 -11.312 4.200 -7.490 1.00 0.00 C ATOM 882 C ASN C 59 -10.621 4.388 -8.838 1.00 0.00 C ATOM 883 O ASN C 59 -11.168 5.013 -9.749 1.00 0.00 O ATOM 884 CB ASN C 59 -12.359 5.305 -7.295 1.00 0.00 C ATOM 885 CG ASN C 59 -13.254 5.081 -6.095 1.00 0.00 C ATOM 886 OD1 ASN C 59 -13.512 3.945 -5.704 1.00 0.00 O ATOM 887 ND2 ASN C 59 -13.735 6.166 -5.507 1.00 0.00 N ATOM 0 H ASN C 59 -10.323 3.345 -5.843 1.00 0.00 H new ATOM 0 HA ASN C 59 -11.826 3.239 -7.466 1.00 0.00 H new ATOM 0 HB2 ASN C 59 -11.850 6.262 -7.185 1.00 0.00 H new ATOM 0 HB3 ASN C 59 -12.976 5.373 -8.191 1.00 0.00 H new ATOM 0 HD21 ASN C 59 -14.346 6.078 -4.695 1.00 0.00 H new ATOM 0 HD22 ASN C 59 -13.494 7.090 -5.866 1.00 0.00 H new ATOM 894 N GLY C 60 -9.407 3.859 -8.957 1.00 0.00 N ATOM 895 CA GLY C 60 -8.661 3.981 -10.196 1.00 0.00 C ATOM 896 C GLY C 60 -7.939 5.314 -10.329 1.00 0.00 C ATOM 897 O GLY C 60 -7.368 5.610 -11.381 1.00 0.00 O ATOM 0 H GLY C 60 -8.926 3.348 -8.217 1.00 0.00 H new ATOM 0 HA2 GLY C 60 -7.932 3.172 -10.256 1.00 0.00 H new ATOM 0 HA3 GLY C 60 -9.343 3.858 -11.037 1.00 0.00 H new ATOM 901 N GLU C 61 -7.947 6.112 -9.266 1.00 0.00 N ATOM 902 CA GLU C 61 -7.334 7.436 -9.303 1.00 0.00 C ATOM 903 C GLU C 61 -6.031 7.455 -8.507 1.00 0.00 C ATOM 904 O GLU C 61 -5.943 6.884 -7.421 1.00 0.00 O ATOM 905 CB GLU C 61 -8.306 8.486 -8.752 1.00 0.00 C ATOM 906 CG GLU C 61 -7.775 9.910 -8.824 1.00 0.00 C ATOM 907 CD GLU C 61 -7.476 10.349 -10.241 1.00 0.00 C ATOM 908 OE1 GLU C 61 -8.288 11.102 -10.821 1.00 0.00 O ATOM 909 OE2 GLU C 61 -6.429 9.942 -10.786 1.00 0.00 O1- ATOM 0 H GLU C 61 -8.370 5.866 -8.371 1.00 0.00 H new ATOM 0 HA GLU C 61 -7.104 7.676 -10.341 1.00 0.00 H new ATOM 0 HB2 GLU C 61 -9.242 8.428 -9.308 1.00 0.00 H new ATOM 0 HB3 GLU C 61 -8.536 8.246 -7.714 1.00 0.00 H new ATOM 0 HG2 GLU C 61 -8.505 10.589 -8.384 1.00 0.00 H new ATOM 0 HG3 GLU C 61 -6.868 9.986 -8.225 1.00 0.00 H new ATOM 916 N LYS C 62 -5.030 8.130 -9.050 1.00 0.00 N ATOM 917 CA LYS C 62 -3.700 8.153 -8.456 1.00 0.00 C ATOM 918 C LYS C 62 -3.598 9.196 -7.352 1.00 0.00 C ATOM 919 O LYS C 62 -3.771 10.389 -7.598 1.00 0.00 O ATOM 920 CB LYS C 62 -2.645 8.449 -9.527 1.00 0.00 C ATOM 921 CG LYS C 62 -2.555 7.394 -10.615 1.00 0.00 C ATOM 922 CD LYS C 62 -2.067 6.059 -10.074 1.00 0.00 C ATOM 923 CE LYS C 62 -0.635 6.133 -9.569 1.00 0.00 C ATOM 924 NZ LYS C 62 0.323 6.526 -10.639 1.00 0.00 N1+ ATOM 0 H LYS C 62 -5.114 8.674 -9.909 1.00 0.00 H new ATOM 0 HA LYS C 62 -3.521 7.170 -8.021 1.00 0.00 H new ATOM 0 HB2 LYS C 62 -2.869 9.412 -9.987 1.00 0.00 H new ATOM 0 HB3 LYS C 62 -1.671 8.544 -9.046 1.00 0.00 H new ATOM 0 HG2 LYS C 62 -3.534 7.263 -11.075 1.00 0.00 H new ATOM 0 HG3 LYS C 62 -1.879 7.737 -11.398 1.00 0.00 H new ATOM 0 HD2 LYS C 62 -2.720 5.737 -9.263 1.00 0.00 H new ATOM 0 HD3 LYS C 62 -2.136 5.304 -10.858 1.00 0.00 H new ATOM 0 HE2 LYS C 62 -0.577 6.851 -8.751 1.00 0.00 H new ATOM 0 HE3 LYS C 62 -0.345 5.164 -9.163 1.00 0.00 H new ATOM 0 HZ1 LYS C 62 1.247 6.744 -10.215 1.00 0.00 H new ATOM 0 HZ2 LYS C 62 0.429 5.743 -11.315 1.00 0.00 H new ATOM 0 HZ3 LYS C 62 -0.037 7.366 -11.136 1.00 0.00 H new ATOM 938 N VAL C 63 -3.327 8.744 -6.135 1.00 0.00 N ATOM 939 CA VAL C 63 -3.059 9.664 -5.036 1.00 0.00 C ATOM 940 C VAL C 63 -1.579 9.648 -4.681 1.00 0.00 C ATOM 941 O VAL C 63 -1.056 10.619 -4.137 1.00 0.00 O ATOM 942 CB VAL C 63 -3.884 9.344 -3.768 1.00 0.00 C ATOM 943 CG1 VAL C 63 -5.367 9.362 -4.076 1.00 0.00 C ATOM 944 CG2 VAL C 63 -3.481 8.010 -3.171 1.00 0.00 C ATOM 0 H VAL C 63 -3.287 7.756 -5.884 1.00 0.00 H new ATOM 0 HA VAL C 63 -3.356 10.653 -5.385 1.00 0.00 H new ATOM 0 HB VAL C 63 -3.674 10.118 -3.030 1.00 0.00 H new ATOM 0 HG11 VAL C 63 -5.929 9.134 -3.170 1.00 0.00 H new ATOM 0 HG12 VAL C 63 -5.651 10.349 -4.441 1.00 0.00 H new ATOM 0 HG13 VAL C 63 -5.589 8.615 -4.838 1.00 0.00 H new ATOM 0 HG21 VAL C 63 -4.079 7.814 -2.281 1.00 0.00 H new ATOM 0 HG22 VAL C 63 -3.648 7.219 -3.902 1.00 0.00 H new ATOM 0 HG23 VAL C 63 -2.426 8.037 -2.900 1.00 0.00 H new ATOM 954 N TYR C 64 -0.907 8.545 -4.997 1.00 0.00 N ATOM 955 CA TYR C 64 0.499 8.400 -4.670 1.00 0.00 C ATOM 956 C TYR C 64 1.148 7.316 -5.533 1.00 0.00 C ATOM 957 O TYR C 64 0.496 6.349 -5.931 1.00 0.00 O ATOM 958 CB TYR C 64 0.644 8.066 -3.180 1.00 0.00 C ATOM 959 CG TYR C 64 2.062 8.139 -2.667 1.00 0.00 C ATOM 960 CD1 TYR C 64 2.710 9.359 -2.539 1.00 0.00 C ATOM 961 CD2 TYR C 64 2.750 6.990 -2.309 1.00 0.00 C ATOM 962 CE1 TYR C 64 4.007 9.429 -2.073 1.00 0.00 C ATOM 963 CE2 TYR C 64 4.046 7.051 -1.839 1.00 0.00 C ATOM 964 CZ TYR C 64 4.670 8.274 -1.723 1.00 0.00 C ATOM 965 OH TYR C 64 5.968 8.340 -1.270 1.00 0.00 O ATOM 0 H TYR C 64 -1.316 7.744 -5.478 1.00 0.00 H new ATOM 0 HA TYR C 64 1.011 9.340 -4.877 1.00 0.00 H new ATOM 0 HB2 TYR C 64 0.024 8.752 -2.603 1.00 0.00 H new ATOM 0 HB3 TYR C 64 0.257 7.062 -3.004 1.00 0.00 H new ATOM 0 HD1 TYR C 64 2.192 10.267 -2.808 1.00 0.00 H new ATOM 0 HD2 TYR C 64 2.263 6.030 -2.400 1.00 0.00 H new ATOM 0 HE1 TYR C 64 4.500 10.386 -1.983 1.00 0.00 H new ATOM 0 HE2 TYR C 64 4.568 6.146 -1.564 1.00 0.00 H new ATOM 0 HH TYR C 64 6.289 7.437 -1.065 1.00 0.00 H new ATOM 975 N THR C 65 2.423 7.509 -5.833 1.00 0.00 N ATOM 976 CA THR C 65 3.224 6.555 -6.589 1.00 0.00 C ATOM 977 C THR C 65 4.615 6.501 -5.949 1.00 0.00 C ATOM 978 O THR C 65 5.067 7.518 -5.416 1.00 0.00 O ATOM 979 CB THR C 65 3.341 7.010 -8.062 1.00 0.00 C ATOM 980 OG1 THR C 65 2.036 7.217 -8.609 1.00 0.00 O ATOM 981 CG2 THR C 65 4.090 6.003 -8.912 1.00 0.00 C ATOM 0 H THR C 65 2.939 8.344 -5.555 1.00 0.00 H new ATOM 0 HA THR C 65 2.757 5.570 -6.572 1.00 0.00 H new ATOM 0 HB THR C 65 3.907 7.942 -8.073 1.00 0.00 H new ATOM 0 HG1 THR C 65 2.042 8.017 -9.176 1.00 0.00 H new ATOM 0 HG21 THR C 65 4.148 6.365 -9.939 1.00 0.00 H new ATOM 0 HG22 THR C 65 5.097 5.871 -8.517 1.00 0.00 H new ATOM 0 HG23 THR C 65 3.565 5.048 -8.893 1.00 0.00 H new ATOM 989 N PHE C 66 5.302 5.354 -5.968 1.00 0.00 N ATOM 990 CA PHE C 66 6.589 5.284 -5.278 1.00 0.00 C ATOM 991 C PHE C 66 7.477 4.143 -5.761 1.00 0.00 C ATOM 992 O PHE C 66 7.131 3.394 -6.676 1.00 0.00 O ATOM 993 CB PHE C 66 6.385 5.184 -3.757 1.00 0.00 C ATOM 994 CG PHE C 66 5.789 3.889 -3.247 1.00 0.00 C ATOM 995 CD1 PHE C 66 4.430 3.784 -2.978 1.00 0.00 C ATOM 996 CD2 PHE C 66 6.601 2.794 -2.991 1.00 0.00 C ATOM 997 CE1 PHE C 66 3.899 2.610 -2.462 1.00 0.00 C ATOM 998 CE2 PHE C 66 6.077 1.620 -2.487 1.00 0.00 C ATOM 999 CZ PHE C 66 4.727 1.528 -2.218 1.00 0.00 C ATOM 0 H PHE C 66 5.004 4.497 -6.433 1.00 0.00 H new ATOM 0 HA PHE C 66 7.110 6.210 -5.520 1.00 0.00 H new ATOM 0 HB2 PHE C 66 7.350 5.332 -3.271 1.00 0.00 H new ATOM 0 HB3 PHE C 66 5.741 6.005 -3.443 1.00 0.00 H new ATOM 0 HD1 PHE C 66 3.780 4.624 -3.172 1.00 0.00 H new ATOM 0 HD2 PHE C 66 7.661 2.861 -3.189 1.00 0.00 H new ATOM 0 HE1 PHE C 66 2.842 2.541 -2.251 1.00 0.00 H new ATOM 0 HE2 PHE C 66 6.723 0.775 -2.304 1.00 0.00 H new ATOM 0 HZ PHE C 66 4.317 0.613 -1.817 1.00 0.00 H new ATOM 1009 N ASN C 67 8.638 4.052 -5.124 1.00 0.00 N ATOM 1010 CA ASN C 67 9.630 3.026 -5.401 1.00 0.00 C ATOM 1011 C ASN C 67 9.875 2.222 -4.129 1.00 0.00 C ATOM 1012 O ASN C 67 10.157 2.793 -3.075 1.00 0.00 O ATOM 1013 CB ASN C 67 10.935 3.686 -5.854 1.00 0.00 C ATOM 1014 CG ASN C 67 11.945 2.706 -6.420 1.00 0.00 C ATOM 1015 OD1 ASN C 67 11.944 1.516 -6.093 1.00 0.00 O ATOM 1016 ND2 ASN C 67 12.828 3.209 -7.269 1.00 0.00 N ATOM 0 H ASN C 67 8.919 4.701 -4.389 1.00 0.00 H new ATOM 0 HA ASN C 67 9.272 2.366 -6.191 1.00 0.00 H new ATOM 0 HB2 ASN C 67 10.709 4.439 -6.609 1.00 0.00 H new ATOM 0 HB3 ASN C 67 11.382 4.208 -5.008 1.00 0.00 H new ATOM 0 HD21 ASN C 67 13.542 2.607 -7.679 1.00 0.00 H new ATOM 0 HD22 ASN C 67 12.794 4.199 -7.513 1.00 0.00 H new ATOM 1023 N GLU C 68 9.775 0.903 -4.232 1.00 0.00 N ATOM 1024 CA GLU C 68 9.851 0.024 -3.061 1.00 0.00 C ATOM 1025 C GLU C 68 11.197 0.093 -2.337 1.00 0.00 C ATOM 1026 O GLU C 68 11.282 -0.255 -1.162 1.00 0.00 O ATOM 1027 CB GLU C 68 9.572 -1.426 -3.460 1.00 0.00 C ATOM 1028 CG GLU C 68 8.179 -1.926 -3.103 1.00 0.00 C ATOM 1029 CD GLU C 68 8.008 -3.416 -3.361 1.00 0.00 C ATOM 1030 OE1 GLU C 68 8.220 -4.217 -2.424 1.00 0.00 O ATOM 1031 OE2 GLU C 68 7.661 -3.798 -4.501 1.00 0.00 O1- ATOM 0 H GLU C 68 9.640 0.412 -5.116 1.00 0.00 H new ATOM 0 HA GLU C 68 9.089 0.382 -2.369 1.00 0.00 H new ATOM 0 HB2 GLU C 68 9.715 -1.527 -4.536 1.00 0.00 H new ATOM 0 HB3 GLU C 68 10.309 -2.069 -2.979 1.00 0.00 H new ATOM 0 HG2 GLU C 68 7.981 -1.718 -2.052 1.00 0.00 H new ATOM 0 HG3 GLU C 68 7.439 -1.373 -3.682 1.00 0.00 H new ATOM 1038 N LYS C 69 12.244 0.537 -3.020 1.00 0.00 N ATOM 1039 CA LYS C 69 13.585 0.500 -2.442 1.00 0.00 C ATOM 1040 C LYS C 69 13.920 1.775 -1.691 1.00 0.00 C ATOM 1041 O LYS C 69 15.076 1.987 -1.314 1.00 0.00 O ATOM 1042 CB LYS C 69 14.634 0.282 -3.520 1.00 0.00 C ATOM 1043 CG LYS C 69 14.700 1.420 -4.513 1.00 0.00 C ATOM 1044 CD LYS C 69 15.727 1.147 -5.601 1.00 0.00 C ATOM 1045 CE LYS C 69 17.141 1.435 -5.125 1.00 0.00 C ATOM 1046 NZ LYS C 69 18.140 1.195 -6.197 1.00 0.00 N1+ ATOM 0 H LYS C 69 12.195 0.923 -3.963 1.00 0.00 H new ATOM 0 HA LYS C 69 13.593 -0.333 -1.739 1.00 0.00 H new ATOM 0 HB2 LYS C 69 15.610 0.158 -3.051 1.00 0.00 H new ATOM 0 HB3 LYS C 69 14.416 -0.645 -4.051 1.00 0.00 H new ATOM 0 HG2 LYS C 69 13.719 1.568 -4.965 1.00 0.00 H new ATOM 0 HG3 LYS C 69 14.954 2.344 -3.994 1.00 0.00 H new ATOM 0 HD2 LYS C 69 15.654 0.106 -5.917 1.00 0.00 H new ATOM 0 HD3 LYS C 69 15.505 1.761 -6.474 1.00 0.00 H new ATOM 0 HE2 LYS C 69 17.209 2.470 -4.790 1.00 0.00 H new ATOM 0 HE3 LYS C 69 17.371 0.806 -4.265 1.00 0.00 H new ATOM 0 HZ1 LYS C 69 18.928 1.866 -6.094 1.00 0.00 H new ATOM 0 HZ2 LYS C 69 18.502 0.223 -6.123 1.00 0.00 H new ATOM 0 HZ3 LYS C 69 17.691 1.327 -7.126 1.00 0.00 H new ATOM 1060 N SER C 70 12.944 2.642 -1.491 1.00 0.00 N ATOM 1061 CA SER C 70 13.197 3.833 -0.714 1.00 0.00 C ATOM 1062 C SER C 70 13.240 3.467 0.776 1.00 0.00 C ATOM 1063 O SER C 70 14.082 2.673 1.196 1.00 0.00 O ATOM 1064 CB SER C 70 12.146 4.907 -1.004 1.00 0.00 C ATOM 1065 OG SER C 70 12.023 5.130 -2.401 1.00 0.00 O ATOM 0 H SER C 70 11.993 2.546 -1.847 1.00 0.00 H new ATOM 0 HA SER C 70 14.163 4.252 -0.996 1.00 0.00 H new ATOM 0 HB2 SER C 70 11.184 4.600 -0.594 1.00 0.00 H new ATOM 0 HB3 SER C 70 12.423 5.836 -0.506 1.00 0.00 H new ATOM 0 HG SER C 70 11.439 4.446 -2.791 1.00 0.00 H new ATOM 1071 N THR C 71 12.348 4.028 1.572 1.00 0.00 N ATOM 1072 CA THR C 71 12.190 3.595 2.938 1.00 0.00 C ATOM 1073 C THR C 71 10.712 3.377 3.214 1.00 0.00 C ATOM 1074 O THR C 71 9.919 4.317 3.165 1.00 0.00 O ATOM 1075 CB THR C 71 12.782 4.618 3.924 1.00 0.00 C ATOM 1076 OG1 THR C 71 12.494 5.952 3.482 1.00 0.00 O ATOM 1077 CG2 THR C 71 14.288 4.437 4.064 1.00 0.00 C ATOM 0 H THR C 71 11.724 4.784 1.291 1.00 0.00 H new ATOM 0 HA THR C 71 12.734 2.661 3.080 1.00 0.00 H new ATOM 0 HB THR C 71 12.323 4.451 4.899 1.00 0.00 H new ATOM 0 HG1 THR C 71 12.417 6.544 4.259 1.00 0.00 H new ATOM 0 HG21 THR C 71 14.679 5.173 4.766 1.00 0.00 H new ATOM 0 HG22 THR C 71 14.501 3.434 4.433 1.00 0.00 H new ATOM 0 HG23 THR C 71 14.763 4.575 3.093 1.00 0.00 H new ATOM 1085 N VAL C 72 10.345 2.135 3.491 1.00 0.00 N ATOM 1086 CA VAL C 72 8.944 1.740 3.540 1.00 0.00 C ATOM 1087 C VAL C 72 8.163 2.508 4.601 1.00 0.00 C ATOM 1088 O VAL C 72 6.947 2.645 4.499 1.00 0.00 O ATOM 1089 CB VAL C 72 8.787 0.225 3.789 1.00 0.00 C ATOM 1090 CG1 VAL C 72 7.393 -0.231 3.420 1.00 0.00 C ATOM 1091 CG2 VAL C 72 9.822 -0.564 3.013 1.00 0.00 C ATOM 0 H VAL C 72 11.001 1.379 3.686 1.00 0.00 H new ATOM 0 HA VAL C 72 8.531 1.986 2.562 1.00 0.00 H new ATOM 0 HB VAL C 72 8.946 0.040 4.851 1.00 0.00 H new ATOM 0 HG11 VAL C 72 7.300 -1.302 3.602 1.00 0.00 H new ATOM 0 HG12 VAL C 72 6.663 0.305 4.026 1.00 0.00 H new ATOM 0 HG13 VAL C 72 7.210 -0.025 2.365 1.00 0.00 H new ATOM 0 HG21 VAL C 72 9.689 -1.628 3.207 1.00 0.00 H new ATOM 0 HG22 VAL C 72 9.702 -0.371 1.947 1.00 0.00 H new ATOM 0 HG23 VAL C 72 10.821 -0.261 3.326 1.00 0.00 H new ATOM 1101 N GLY C 73 8.857 3.043 5.592 1.00 0.00 N ATOM 1102 CA GLY C 73 8.174 3.730 6.671 1.00 0.00 C ATOM 1103 C GLY C 73 7.811 5.133 6.272 1.00 0.00 C ATOM 1104 O GLY C 73 6.738 5.634 6.614 1.00 0.00 O ATOM 0 H GLY C 73 9.874 3.016 5.671 1.00 0.00 H new ATOM 0 HA2 GLY C 73 7.273 3.181 6.944 1.00 0.00 H new ATOM 0 HA3 GLY C 73 8.813 3.753 7.554 1.00 0.00 H new ATOM 1108 N ASN C 74 8.695 5.765 5.522 1.00 0.00 N ATOM 1109 CA ASN C 74 8.412 7.078 4.979 1.00 0.00 C ATOM 1110 C ASN C 74 7.386 6.942 3.871 1.00 0.00 C ATOM 1111 O ASN C 74 6.533 7.800 3.690 1.00 0.00 O ATOM 1112 CB ASN C 74 9.685 7.743 4.449 1.00 0.00 C ATOM 1113 CG ASN C 74 10.756 7.901 5.513 1.00 0.00 C ATOM 1114 OD1 ASN C 74 11.945 7.965 5.203 1.00 0.00 O ATOM 1115 ND2 ASN C 74 10.352 7.937 6.773 1.00 0.00 N ATOM 0 H ASN C 74 9.612 5.391 5.276 1.00 0.00 H new ATOM 0 HA ASN C 74 8.016 7.712 5.772 1.00 0.00 H new ATOM 0 HB2 ASN C 74 10.083 7.150 3.626 1.00 0.00 H new ATOM 0 HB3 ASN C 74 9.435 8.724 4.044 1.00 0.00 H new ATOM 0 HD21 ASN C 74 11.035 8.020 7.526 1.00 0.00 H new ATOM 0 HD22 ASN C 74 9.357 7.881 6.991 1.00 0.00 H new ATOM 1122 N ILE C 75 7.470 5.839 3.144 1.00 0.00 N ATOM 1123 CA ILE C 75 6.521 5.549 2.082 1.00 0.00 C ATOM 1124 C ILE C 75 5.120 5.300 2.639 1.00 0.00 C ATOM 1125 O ILE C 75 4.196 6.081 2.401 1.00 0.00 O ATOM 1126 CB ILE C 75 6.947 4.308 1.270 1.00 0.00 C ATOM 1127 CG1 ILE C 75 8.250 4.563 0.509 1.00 0.00 C ATOM 1128 CG2 ILE C 75 5.842 3.907 0.307 1.00 0.00 C ATOM 1129 CD1 ILE C 75 8.760 3.339 -0.220 1.00 0.00 C ATOM 0 H ILE C 75 8.189 5.127 3.271 1.00 0.00 H new ATOM 0 HA ILE C 75 6.507 6.425 1.433 1.00 0.00 H new ATOM 0 HB ILE C 75 7.123 3.490 1.969 1.00 0.00 H new ATOM 0 HG12 ILE C 75 8.093 5.367 -0.210 1.00 0.00 H new ATOM 0 HG13 ILE C 75 9.012 4.905 1.209 1.00 0.00 H new ATOM 0 HG21 ILE C 75 6.154 3.030 -0.260 1.00 0.00 H new ATOM 0 HG22 ILE C 75 4.937 3.673 0.868 1.00 0.00 H new ATOM 0 HG23 ILE C 75 5.641 4.730 -0.379 1.00 0.00 H new ATOM 0 HD11 ILE C 75 9.686 3.585 -0.740 1.00 0.00 H new ATOM 0 HD12 ILE C 75 8.948 2.540 0.497 1.00 0.00 H new ATOM 0 HD13 ILE C 75 8.014 3.009 -0.943 1.00 0.00 H new ATOM 1141 N SER C 76 4.984 4.220 3.402 1.00 0.00 N ATOM 1142 CA SER C 76 3.678 3.706 3.782 1.00 0.00 C ATOM 1143 C SER C 76 2.881 4.686 4.614 1.00 0.00 C ATOM 1144 O SER C 76 1.730 4.977 4.308 1.00 0.00 O ATOM 1145 CB SER C 76 3.820 2.379 4.531 1.00 0.00 C ATOM 1146 OG SER C 76 4.633 2.524 5.682 1.00 0.00 O ATOM 0 H SER C 76 5.769 3.683 3.770 1.00 0.00 H new ATOM 0 HA SER C 76 3.126 3.546 2.856 1.00 0.00 H new ATOM 0 HB2 SER C 76 2.834 2.016 4.822 1.00 0.00 H new ATOM 0 HB3 SER C 76 4.253 1.629 3.869 1.00 0.00 H new ATOM 0 HG SER C 76 5.576 2.442 5.429 1.00 0.00 H new ATOM 1152 N ASN C 77 3.484 5.200 5.657 1.00 0.00 N ATOM 1153 CA ASN C 77 2.742 6.028 6.595 1.00 0.00 C ATOM 1154 C ASN C 77 2.534 7.459 6.112 1.00 0.00 C ATOM 1155 O ASN C 77 1.714 8.182 6.679 1.00 0.00 O ATOM 1156 CB ASN C 77 3.315 5.980 8.002 1.00 0.00 C ATOM 1157 CG ASN C 77 3.081 4.624 8.640 1.00 0.00 C ATOM 1158 OD1 ASN C 77 3.987 3.792 8.710 1.00 0.00 O ATOM 1159 ND2 ASN C 77 1.845 4.380 9.070 1.00 0.00 N ATOM 0 H ASN C 77 4.470 5.067 5.882 1.00 0.00 H new ATOM 0 HA ASN C 77 1.749 5.581 6.643 1.00 0.00 H new ATOM 0 HB2 ASN C 77 4.384 6.191 7.970 1.00 0.00 H new ATOM 0 HB3 ASN C 77 2.855 6.757 8.612 1.00 0.00 H new ATOM 0 HD21 ASN C 77 1.617 3.473 9.478 1.00 0.00 H new ATOM 0 HD22 ASN C 77 1.126 5.100 8.992 1.00 0.00 H new ATOM 1166 N ASP C 78 3.261 7.894 5.087 1.00 0.00 N ATOM 1167 CA ASP C 78 2.876 9.128 4.397 1.00 0.00 C ATOM 1168 C ASP C 78 1.536 8.906 3.727 1.00 0.00 C ATOM 1169 O ASP C 78 0.674 9.781 3.722 1.00 0.00 O ATOM 1170 CB ASP C 78 3.890 9.559 3.345 1.00 0.00 C ATOM 1171 CG ASP C 78 5.074 10.311 3.931 1.00 0.00 C ATOM 1172 OD1 ASP C 78 5.443 10.050 5.097 1.00 0.00 O ATOM 1173 OD2 ASP C 78 5.653 11.163 3.222 1.00 0.00 O1- ATOM 0 H ASP C 78 4.094 7.431 4.722 1.00 0.00 H new ATOM 0 HA ASP C 78 2.827 9.922 5.142 1.00 0.00 H new ATOM 0 HB2 ASP C 78 4.253 8.678 2.816 1.00 0.00 H new ATOM 0 HB3 ASP C 78 3.394 10.191 2.608 1.00 0.00 H new ATOM 1178 N ILE C 79 1.370 7.702 3.179 1.00 0.00 N ATOM 1179 CA ILE C 79 0.089 7.265 2.642 1.00 0.00 C ATOM 1180 C ILE C 79 -0.964 7.296 3.747 1.00 0.00 C ATOM 1181 O ILE C 79 -2.161 7.428 3.492 1.00 0.00 O ATOM 1182 CB ILE C 79 0.176 5.831 2.061 1.00 0.00 C ATOM 1183 CG1 ILE C 79 1.249 5.751 0.972 1.00 0.00 C ATOM 1184 CG2 ILE C 79 -1.174 5.384 1.515 1.00 0.00 C ATOM 1185 CD1 ILE C 79 1.481 4.344 0.459 1.00 0.00 C ATOM 0 H ILE C 79 2.115 7.010 3.097 1.00 0.00 H new ATOM 0 HA ILE C 79 -0.188 7.945 1.836 1.00 0.00 H new ATOM 0 HB ILE C 79 0.457 5.156 2.870 1.00 0.00 H new ATOM 0 HG12 ILE C 79 0.959 6.391 0.138 1.00 0.00 H new ATOM 0 HG13 ILE C 79 2.186 6.146 1.365 1.00 0.00 H new ATOM 0 HG21 ILE C 79 -1.088 4.375 1.113 1.00 0.00 H new ATOM 0 HG22 ILE C 79 -1.912 5.393 2.317 1.00 0.00 H new ATOM 0 HG23 ILE C 79 -1.490 6.064 0.724 1.00 0.00 H new ATOM 0 HD11 ILE C 79 2.253 4.360 -0.310 1.00 0.00 H new ATOM 0 HD12 ILE C 79 1.801 3.705 1.282 1.00 0.00 H new ATOM 0 HD13 ILE C 79 0.555 3.954 0.036 1.00 0.00 H new ATOM 1197 N ASN C 80 -0.506 7.197 4.988 1.00 0.00 N ATOM 1198 CA ASN C 80 -1.411 7.228 6.119 1.00 0.00 C ATOM 1199 C ASN C 80 -1.802 8.646 6.444 1.00 0.00 C ATOM 1200 O ASN C 80 -2.950 8.903 6.771 1.00 0.00 O ATOM 1201 CB ASN C 80 -0.817 6.597 7.382 1.00 0.00 C ATOM 1202 CG ASN C 80 -0.601 5.102 7.306 1.00 0.00 C ATOM 1203 OD1 ASN C 80 -0.738 4.405 8.306 1.00 0.00 O ATOM 1204 ND2 ASN C 80 -0.225 4.599 6.148 1.00 0.00 N ATOM 0 H ASN C 80 0.479 7.095 5.231 1.00 0.00 H new ATOM 0 HA ASN C 80 -2.280 6.642 5.819 1.00 0.00 H new ATOM 0 HB2 ASN C 80 0.138 7.077 7.596 1.00 0.00 H new ATOM 0 HB3 ASN C 80 -1.477 6.812 8.223 1.00 0.00 H new ATOM 0 HD21 ASN C 80 -0.038 3.600 6.063 1.00 0.00 H new ATOM 0 HD22 ASN C 80 -0.121 5.209 5.337 1.00 0.00 H new ATOM 1211 N LYS C 81 -0.845 9.564 6.364 1.00 0.00 N ATOM 1212 CA LYS C 81 -1.120 10.973 6.614 1.00 0.00 C ATOM 1213 C LYS C 81 -2.315 11.414 5.787 1.00 0.00 C ATOM 1214 O LYS C 81 -3.180 12.147 6.252 1.00 0.00 O ATOM 1215 CB LYS C 81 0.100 11.833 6.270 1.00 0.00 C ATOM 1216 CG LYS C 81 1.322 11.557 7.136 1.00 0.00 C ATOM 1217 CD LYS C 81 1.341 12.406 8.405 1.00 0.00 C ATOM 1218 CE LYS C 81 0.214 12.058 9.367 1.00 0.00 C ATOM 1219 NZ LYS C 81 0.299 12.835 10.629 1.00 0.00 N1+ ATOM 0 H LYS C 81 0.126 9.358 6.128 1.00 0.00 H new ATOM 0 HA LYS C 81 -1.343 11.103 7.673 1.00 0.00 H new ATOM 0 HB2 LYS C 81 0.364 11.668 5.225 1.00 0.00 H new ATOM 0 HB3 LYS C 81 -0.171 12.884 6.368 1.00 0.00 H new ATOM 0 HG2 LYS C 81 1.340 10.502 7.408 1.00 0.00 H new ATOM 0 HG3 LYS C 81 2.225 11.753 6.558 1.00 0.00 H new ATOM 0 HD2 LYS C 81 2.297 12.273 8.911 1.00 0.00 H new ATOM 0 HD3 LYS C 81 1.268 13.459 8.133 1.00 0.00 H new ATOM 0 HE2 LYS C 81 -0.745 12.251 8.887 1.00 0.00 H new ATOM 0 HE3 LYS C 81 0.248 10.993 9.594 1.00 0.00 H new ATOM 0 HZ1 LYS C 81 -0.487 12.567 11.255 1.00 0.00 H new ATOM 0 HZ2 LYS C 81 1.203 12.632 11.102 1.00 0.00 H new ATOM 0 HZ3 LYS C 81 0.241 13.851 10.416 1.00 0.00 H new ATOM 1233 N LEU C 82 -2.367 10.899 4.570 1.00 0.00 N ATOM 1234 CA LEU C 82 -3.457 11.171 3.647 1.00 0.00 C ATOM 1235 C LEU C 82 -4.812 10.890 4.303 1.00 0.00 C ATOM 1236 O LEU C 82 -5.777 11.618 4.068 1.00 0.00 O ATOM 1237 CB LEU C 82 -3.302 10.288 2.403 1.00 0.00 C ATOM 1238 CG LEU C 82 -1.864 10.092 1.902 1.00 0.00 C ATOM 1239 CD1 LEU C 82 -1.862 9.262 0.625 1.00 0.00 C ATOM 1240 CD2 LEU C 82 -1.185 11.433 1.657 1.00 0.00 C ATOM 0 H LEU C 82 -1.651 10.278 4.192 1.00 0.00 H new ATOM 0 HA LEU C 82 -3.419 12.224 3.367 1.00 0.00 H new ATOM 0 HB2 LEU C 82 -3.729 9.309 2.620 1.00 0.00 H new ATOM 0 HB3 LEU C 82 -3.893 10.722 1.596 1.00 0.00 H new ATOM 0 HG LEU C 82 -1.304 9.562 2.672 1.00 0.00 H new ATOM 0 HD11 LEU C 82 -0.837 9.129 0.279 1.00 0.00 H new ATOM 0 HD12 LEU C 82 -2.307 8.287 0.824 1.00 0.00 H new ATOM 0 HD13 LEU C 82 -2.441 9.775 -0.143 1.00 0.00 H new ATOM 0 HD21 LEU C 82 -0.168 11.266 1.303 1.00 0.00 H new ATOM 0 HD22 LEU C 82 -1.744 11.992 0.906 1.00 0.00 H new ATOM 0 HD23 LEU C 82 -1.157 12.002 2.586 1.00 0.00 H new ATOM 1252 N ASN C 83 -4.840 9.854 5.157 1.00 0.00 N ATOM 1253 CA ASN C 83 -6.076 9.343 5.778 1.00 0.00 C ATOM 1254 C ASN C 83 -7.237 9.395 4.800 1.00 0.00 C ATOM 1255 O ASN C 83 -8.068 10.304 4.834 1.00 0.00 O ATOM 1256 CB ASN C 83 -6.387 10.070 7.087 1.00 0.00 C ATOM 1257 CG ASN C 83 -6.045 9.217 8.307 1.00 0.00 C ATOM 1258 OD1 ASN C 83 -6.679 9.338 9.354 1.00 0.00 O ATOM 1259 ND2 ASN C 83 -5.039 8.349 8.187 1.00 0.00 N ATOM 0 H ASN C 83 -4.003 9.344 5.438 1.00 0.00 H new ATOM 0 HA ASN C 83 -5.917 8.295 6.034 1.00 0.00 H new ATOM 0 HB2 ASN C 83 -5.824 11.003 7.127 1.00 0.00 H new ATOM 0 HB3 ASN C 83 -7.444 10.334 7.113 1.00 0.00 H new ATOM 0 HD21 ASN C 83 -4.776 7.761 8.978 1.00 0.00 H new ATOM 0 HD22 ASN C 83 -4.533 8.273 7.304 1.00 0.00 H new ATOM 1266 N ILE C 84 -7.278 8.403 3.931 1.00 0.00 N ATOM 1267 CA ILE C 84 -8.137 8.439 2.766 1.00 0.00 C ATOM 1268 C ILE C 84 -9.578 8.098 3.076 1.00 0.00 C ATOM 1269 O ILE C 84 -9.908 6.976 3.457 1.00 0.00 O ATOM 1270 CB ILE C 84 -7.633 7.485 1.682 1.00 0.00 C ATOM 1271 CG1 ILE C 84 -6.156 7.729 1.442 1.00 0.00 C ATOM 1272 CG2 ILE C 84 -8.419 7.682 0.392 1.00 0.00 C ATOM 1273 CD1 ILE C 84 -5.565 6.820 0.388 1.00 0.00 C ATOM 0 H ILE C 84 -6.719 7.554 4.013 1.00 0.00 H new ATOM 0 HA ILE C 84 -8.102 9.469 2.412 1.00 0.00 H new ATOM 0 HB ILE C 84 -7.778 6.457 2.015 1.00 0.00 H new ATOM 0 HG12 ILE C 84 -6.010 8.766 1.141 1.00 0.00 H new ATOM 0 HG13 ILE C 84 -5.615 7.589 2.378 1.00 0.00 H new ATOM 0 HG21 ILE C 84 -8.048 6.995 -0.369 1.00 0.00 H new ATOM 0 HG22 ILE C 84 -9.475 7.484 0.575 1.00 0.00 H new ATOM 0 HG23 ILE C 84 -8.298 8.708 0.045 1.00 0.00 H new ATOM 0 HD11 ILE C 84 -4.506 7.046 0.265 1.00 0.00 H new ATOM 0 HD12 ILE C 84 -5.681 5.781 0.697 1.00 0.00 H new ATOM 0 HD13 ILE C 84 -6.082 6.976 -0.559 1.00 0.00 H new ATOM 1285 N LYS C 85 -10.416 9.093 2.879 1.00 0.00 N ATOM 1286 CA LYS C 85 -11.875 8.961 2.885 1.00 0.00 C ATOM 1287 C LYS C 85 -12.371 8.121 1.704 1.00 0.00 C ATOM 1288 O LYS C 85 -13.444 8.373 1.150 1.00 0.00 O ATOM 1289 CB LYS C 85 -12.464 10.364 2.802 1.00 0.00 C ATOM 1290 CG LYS C 85 -11.734 11.243 1.780 1.00 0.00 C ATOM 1291 CD LYS C 85 -12.280 11.100 0.374 1.00 0.00 C ATOM 1292 CE LYS C 85 -11.366 11.791 -0.624 1.00 0.00 C ATOM 1293 NZ LYS C 85 -11.358 13.268 -0.435 1.00 0.00 N1+ ATOM 0 H LYS C 85 -10.102 10.048 2.704 1.00 0.00 H new ATOM 0 HA LYS C 85 -12.189 8.453 3.797 1.00 0.00 H new ATOM 0 HB2 LYS C 85 -13.518 10.298 2.533 1.00 0.00 H new ATOM 0 HB3 LYS C 85 -12.414 10.835 3.784 1.00 0.00 H new ATOM 0 HG2 LYS C 85 -11.809 12.286 2.088 1.00 0.00 H new ATOM 0 HG3 LYS C 85 -10.675 10.986 1.780 1.00 0.00 H new ATOM 0 HD2 LYS C 85 -12.374 10.044 0.120 1.00 0.00 H new ATOM 0 HD3 LYS C 85 -13.280 11.531 0.320 1.00 0.00 H new ATOM 0 HE2 LYS C 85 -10.352 11.405 -0.516 1.00 0.00 H new ATOM 0 HE3 LYS C 85 -11.691 11.556 -1.638 1.00 0.00 H new ATOM 0 HZ1 LYS C 85 -10.777 13.710 -1.176 1.00 0.00 H new ATOM 0 HZ2 LYS C 85 -12.331 13.631 -0.495 1.00 0.00 H new ATOM 0 HZ3 LYS C 85 -10.961 13.496 0.499 1.00 0.00 H new ATOM 1307 N GLY C 86 -11.599 7.120 1.340 1.00 0.00 N ATOM 1308 CA GLY C 86 -11.860 6.381 0.136 1.00 0.00 C ATOM 1309 C GLY C 86 -12.598 5.084 0.411 1.00 0.00 C ATOM 1310 O GLY C 86 -12.579 4.590 1.538 1.00 0.00 O ATOM 0 H GLY C 86 -10.785 6.803 1.866 1.00 0.00 H new ATOM 0 HA2 GLY C 86 -12.449 6.995 -0.545 1.00 0.00 H new ATOM 0 HA3 GLY C 86 -10.918 6.162 -0.366 1.00 0.00 H new ATOM 1314 N PRO C 87 -13.267 4.511 -0.600 1.00 0.00 N ATOM 1315 CA PRO C 87 -13.992 3.247 -0.453 1.00 0.00 C ATOM 1316 C PRO C 87 -13.057 2.040 -0.535 1.00 0.00 C ATOM 1317 O PRO C 87 -12.733 1.433 0.487 1.00 0.00 O ATOM 1318 CB PRO C 87 -14.959 3.276 -1.635 1.00 0.00 C ATOM 1319 CG PRO C 87 -14.234 4.045 -2.684 1.00 0.00 C ATOM 1320 CD PRO C 87 -13.402 5.071 -1.959 1.00 0.00 C ATOM 0 HA PRO C 87 -14.485 3.150 0.514 1.00 0.00 H new ATOM 0 HB2 PRO C 87 -15.201 2.269 -1.976 1.00 0.00 H new ATOM 0 HB3 PRO C 87 -15.900 3.757 -1.368 1.00 0.00 H new ATOM 0 HG2 PRO C 87 -13.604 3.387 -3.283 1.00 0.00 H new ATOM 0 HG3 PRO C 87 -14.934 4.525 -3.368 1.00 0.00 H new ATOM 0 HD2 PRO C 87 -12.431 5.208 -2.434 1.00 0.00 H new ATOM 0 HD3 PRO C 87 -13.890 6.045 -1.944 1.00 0.00 H new ATOM 1328 N TYR C 88 -12.614 1.702 -1.742 1.00 0.00 N ATOM 1329 CA TYR C 88 -11.598 0.693 -1.914 1.00 0.00 C ATOM 1330 C TYR C 88 -10.352 1.325 -2.510 1.00 0.00 C ATOM 1331 O TYR C 88 -10.352 1.813 -3.643 1.00 0.00 O ATOM 1332 CB TYR C 88 -12.093 -0.496 -2.757 1.00 0.00 C ATOM 1333 CG TYR C 88 -12.750 -0.126 -4.071 1.00 0.00 C ATOM 1334 CD1 TYR C 88 -12.056 -0.215 -5.271 1.00 0.00 C ATOM 1335 CD2 TYR C 88 -14.072 0.293 -4.110 1.00 0.00 C ATOM 1336 CE1 TYR C 88 -12.661 0.109 -6.470 1.00 0.00 C ATOM 1337 CE2 TYR C 88 -14.682 0.619 -5.302 1.00 0.00 C ATOM 1338 CZ TYR C 88 -13.975 0.524 -6.478 1.00 0.00 C ATOM 1339 OH TYR C 88 -14.586 0.850 -7.669 1.00 0.00 O ATOM 0 H TYR C 88 -12.949 2.118 -2.611 1.00 0.00 H new ATOM 0 HA TYR C 88 -11.352 0.283 -0.934 1.00 0.00 H new ATOM 0 HB2 TYR C 88 -11.247 -1.151 -2.964 1.00 0.00 H new ATOM 0 HB3 TYR C 88 -12.803 -1.071 -2.163 1.00 0.00 H new ATOM 0 HD1 TYR C 88 -11.027 -0.543 -5.267 1.00 0.00 H new ATOM 0 HD2 TYR C 88 -14.633 0.365 -3.190 1.00 0.00 H new ATOM 0 HE1 TYR C 88 -12.108 0.038 -7.395 1.00 0.00 H new ATOM 0 HE2 TYR C 88 -15.711 0.948 -5.313 1.00 0.00 H new ATOM 0 HH TYR C 88 -15.512 1.122 -7.498 1.00 0.00 H new ATOM 1349 N ILE C 89 -9.307 1.357 -1.711 1.00 0.00 N ATOM 1350 CA ILE C 89 -8.062 1.980 -2.098 1.00 0.00 C ATOM 1351 C ILE C 89 -7.104 0.928 -2.616 1.00 0.00 C ATOM 1352 O ILE C 89 -6.659 0.054 -1.869 1.00 0.00 O ATOM 1353 CB ILE C 89 -7.435 2.717 -0.904 1.00 0.00 C ATOM 1354 CG1 ILE C 89 -8.459 3.684 -0.313 1.00 0.00 C ATOM 1355 CG2 ILE C 89 -6.175 3.460 -1.331 1.00 0.00 C ATOM 1356 CD1 ILE C 89 -8.183 4.064 1.125 1.00 0.00 C ATOM 0 H ILE C 89 -9.298 0.952 -0.775 1.00 0.00 H new ATOM 0 HA ILE C 89 -8.263 2.705 -2.886 1.00 0.00 H new ATOM 0 HB ILE C 89 -7.150 1.990 -0.144 1.00 0.00 H new ATOM 0 HG12 ILE C 89 -8.482 4.589 -0.920 1.00 0.00 H new ATOM 0 HG13 ILE C 89 -9.449 3.233 -0.376 1.00 0.00 H new ATOM 0 HG21 ILE C 89 -5.747 3.975 -0.471 1.00 0.00 H new ATOM 0 HG22 ILE C 89 -5.450 2.749 -1.726 1.00 0.00 H new ATOM 0 HG23 ILE C 89 -6.426 4.189 -2.102 1.00 0.00 H new ATOM 0 HD11 ILE C 89 -8.953 4.753 1.474 1.00 0.00 H new ATOM 0 HD12 ILE C 89 -8.189 3.168 1.746 1.00 0.00 H new ATOM 0 HD13 ILE C 89 -7.208 4.546 1.193 1.00 0.00 H new ATOM 1368 N GLU C 90 -6.785 1.010 -3.891 1.00 0.00 N ATOM 1369 CA GLU C 90 -5.950 0.011 -4.513 1.00 0.00 C ATOM 1370 C GLU C 90 -4.496 0.412 -4.412 1.00 0.00 C ATOM 1371 O GLU C 90 -3.990 1.189 -5.218 1.00 0.00 O ATOM 1372 CB GLU C 90 -6.326 -0.138 -5.981 1.00 0.00 C ATOM 1373 CG GLU C 90 -7.803 -0.422 -6.211 1.00 0.00 C ATOM 1374 CD GLU C 90 -8.188 -0.342 -7.676 1.00 0.00 C ATOM 1375 OE1 GLU C 90 -8.498 0.766 -8.165 1.00 0.00 O ATOM 1376 OE2 GLU C 90 -8.182 -1.391 -8.351 1.00 0.00 O1- ATOM 0 H GLU C 90 -7.092 1.758 -4.513 1.00 0.00 H new ATOM 0 HA GLU C 90 -6.100 -0.938 -3.998 1.00 0.00 H new ATOM 0 HB2 GLU C 90 -6.054 0.775 -6.510 1.00 0.00 H new ATOM 0 HB3 GLU C 90 -5.738 -0.946 -6.417 1.00 0.00 H new ATOM 0 HG2 GLU C 90 -8.043 -1.414 -5.829 1.00 0.00 H new ATOM 0 HG3 GLU C 90 -8.400 0.291 -5.642 1.00 0.00 H new ATOM 1383 N ILE C 91 -3.830 -0.124 -3.417 1.00 0.00 N ATOM 1384 CA ILE C 91 -2.408 0.065 -3.279 1.00 0.00 C ATOM 1385 C ILE C 91 -1.713 -1.139 -3.891 1.00 0.00 C ATOM 1386 O ILE C 91 -1.660 -2.207 -3.288 1.00 0.00 O ATOM 1387 CB ILE C 91 -2.009 0.246 -1.795 1.00 0.00 C ATOM 1388 CG1 ILE C 91 -2.794 1.406 -1.178 1.00 0.00 C ATOM 1389 CG2 ILE C 91 -0.515 0.489 -1.647 1.00 0.00 C ATOM 1390 CD1 ILE C 91 -2.287 1.823 0.185 1.00 0.00 C ATOM 0 H ILE C 91 -4.254 -0.697 -2.688 1.00 0.00 H new ATOM 0 HA ILE C 91 -2.102 0.974 -3.798 1.00 0.00 H new ATOM 0 HB ILE C 91 -2.253 -0.676 -1.267 1.00 0.00 H new ATOM 0 HG12 ILE C 91 -2.749 2.262 -1.851 1.00 0.00 H new ATOM 0 HG13 ILE C 91 -3.843 1.120 -1.095 1.00 0.00 H new ATOM 0 HG21 ILE C 91 -0.269 0.612 -0.592 1.00 0.00 H new ATOM 0 HG22 ILE C 91 0.034 -0.362 -2.051 1.00 0.00 H new ATOM 0 HG23 ILE C 91 -0.237 1.391 -2.192 1.00 0.00 H new ATOM 0 HD11 ILE C 91 -2.890 2.649 0.560 1.00 0.00 H new ATOM 0 HD12 ILE C 91 -2.357 0.980 0.873 1.00 0.00 H new ATOM 0 HD13 ILE C 91 -1.247 2.140 0.105 1.00 0.00 H new ATOM 1402 N LYS C 92 -1.219 -0.969 -5.112 1.00 0.00 N ATOM 1403 CA LYS C 92 -0.679 -2.072 -5.889 1.00 0.00 C ATOM 1404 C LYS C 92 0.312 -1.529 -6.898 1.00 0.00 C ATOM 1405 O LYS C 92 0.143 -0.428 -7.414 1.00 0.00 O ATOM 1406 CB LYS C 92 -1.830 -2.779 -6.607 1.00 0.00 C ATOM 1407 CG LYS C 92 -2.707 -1.809 -7.388 1.00 0.00 C ATOM 1408 CD LYS C 92 -2.240 -1.628 -8.824 1.00 0.00 C ATOM 1409 CE LYS C 92 -2.551 -2.845 -9.682 1.00 0.00 C ATOM 1410 NZ LYS C 92 -4.013 -3.086 -9.797 1.00 0.00 N1+ ATOM 0 H LYS C 92 -1.183 -0.067 -5.587 1.00 0.00 H new ATOM 0 HA LYS C 92 -0.170 -2.782 -5.238 1.00 0.00 H new ATOM 0 HB2 LYS C 92 -1.425 -3.528 -7.288 1.00 0.00 H new ATOM 0 HB3 LYS C 92 -2.440 -3.309 -5.876 1.00 0.00 H new ATOM 0 HG2 LYS C 92 -3.735 -2.172 -7.387 1.00 0.00 H new ATOM 0 HG3 LYS C 92 -2.710 -0.842 -6.886 1.00 0.00 H new ATOM 0 HD2 LYS C 92 -2.721 -0.749 -9.254 1.00 0.00 H new ATOM 0 HD3 LYS C 92 -1.166 -1.441 -8.835 1.00 0.00 H new ATOM 0 HE2 LYS C 92 -2.127 -2.705 -10.676 1.00 0.00 H new ATOM 0 HE3 LYS C 92 -2.071 -3.724 -9.252 1.00 0.00 H new ATOM 0 HZ1 LYS C 92 -4.202 -3.682 -10.628 1.00 0.00 H new ATOM 0 HZ2 LYS C 92 -4.354 -3.568 -8.941 1.00 0.00 H new ATOM 0 HZ3 LYS C 92 -4.507 -2.177 -9.903 1.00 0.00 H new ATOM 1424 N GLN C 93 1.347 -2.278 -7.186 1.00 0.00 N ATOM 1425 CA GLN C 93 2.337 -1.795 -8.117 1.00 0.00 C ATOM 1426 C GLN C 93 1.904 -2.050 -9.536 1.00 0.00 C ATOM 1427 O GLN C 93 0.976 -2.824 -9.791 1.00 0.00 O ATOM 1428 CB GLN C 93 3.686 -2.410 -7.846 1.00 0.00 C ATOM 1429 CG GLN C 93 3.716 -3.920 -8.007 1.00 0.00 C ATOM 1430 CD GLN C 93 5.039 -4.527 -7.596 1.00 0.00 C ATOM 1431 OE1 GLN C 93 5.091 -5.664 -7.128 1.00 0.00 O ATOM 1432 NE2 GLN C 93 6.115 -3.781 -7.776 1.00 0.00 N ATOM 0 H GLN C 93 1.525 -3.205 -6.799 1.00 0.00 H new ATOM 0 HA GLN C 93 2.430 -0.718 -7.978 1.00 0.00 H new ATOM 0 HB2 GLN C 93 4.419 -1.968 -8.521 1.00 0.00 H new ATOM 0 HB3 GLN C 93 3.993 -2.156 -6.831 1.00 0.00 H new ATOM 0 HG2 GLN C 93 2.918 -4.360 -7.409 1.00 0.00 H new ATOM 0 HG3 GLN C 93 3.512 -4.174 -9.047 1.00 0.00 H new ATOM 0 HE21 GLN C 93 6.026 -2.843 -8.167 1.00 0.00 H new ATOM 0 HE22 GLN C 93 7.035 -4.143 -7.524 1.00 0.00 H new ATOM 1441 N ILE C 94 2.594 -1.421 -10.457 1.00 0.00 N ATOM 1442 CA ILE C 94 2.116 -1.332 -11.810 1.00 0.00 C ATOM 1443 C ILE C 94 3.166 -1.797 -12.805 1.00 0.00 C ATOM 1444 O ILE C 94 3.343 -1.136 -13.843 1.00 0.00 O ATOM 1445 CB ILE C 94 1.680 0.120 -12.104 1.00 0.00 C ATOM 1446 CG1 ILE C 94 2.515 1.089 -11.242 1.00 0.00 C ATOM 1447 CG2 ILE C 94 0.192 0.286 -11.839 1.00 0.00 C ATOM 1448 CD1 ILE C 94 1.981 2.503 -11.168 1.00 0.00 C ATOM 1449 OXT ILE C 94 3.824 -2.824 -12.535 1.00 0.00 O ATOM 0 H ILE C 94 3.490 -0.963 -10.291 1.00 0.00 H new ATOM 0 HA ILE C 94 1.258 -1.995 -11.921 1.00 0.00 H new ATOM 0 HB ILE C 94 1.856 0.351 -13.155 1.00 0.00 H new ATOM 0 HG12 ILE C 94 2.579 0.688 -10.231 1.00 0.00 H new ATOM 0 HG13 ILE C 94 3.530 1.120 -11.638 1.00 0.00 H new ATOM 0 HG21 ILE C 94 -0.103 1.314 -12.050 1.00 0.00 H new ATOM 0 HG22 ILE C 94 -0.370 -0.392 -12.482 1.00 0.00 H new ATOM 0 HG23 ILE C 94 -0.020 0.055 -10.795 1.00 0.00 H new ATOM 0 HD11 ILE C 94 2.636 3.107 -10.540 1.00 0.00 H new ATOM 0 HD12 ILE C 94 1.944 2.931 -12.170 1.00 0.00 H new ATOM 0 HD13 ILE C 94 0.978 2.491 -10.741 1.00 0.00 H new TER 1461 ILE C 94