USER MOD reduce.3.24.130724 H: found=0, std=0, add=730, rem=0, adj=36 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= -0.294 F(o=-18!,f=-11) USER MOD Set 1.2: C 80 ASN : amide:sc= -10.4! C(o=-11!,f=-13!) USER MOD Set 2.1: C 71 THR OG1 : rot -110:sc= 0.83 USER MOD Set 2.2: C 74 ASN : amide:sc= 1 X(o=1.8,f=1.4) USER MOD Set 3.1: C 62 LYS NZ :NH3+ -159:sc= -0.141 (180deg=-0.648) USER MOD Set 3.2: C 65 THR OG1 : rot 171:sc= -1.44 USER MOD Set 4.1: C 19 LYS NZ :NH3+ -176:sc= 1.1 (180deg=-0.292) USER MOD Set 4.2: C 93 GLN : amide:sc= 1.74 K(o=2.8,f=-6.7!) USER MOD Set 5.1: C 11 ASN :FLIP amide:sc= 0.248 F(o=-9.4,f=-6.4) USER MOD Set 5.2: C 14 ASN :FLIP amide:sc= -1.48! C(o=-9.1!,f=-6.4!) USER MOD Set 5.3: C 17 ASN :FLIP amide:sc= -5.13! C(o=-10!,f=-6.4!) USER MOD Single : C 1 ASP N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 2 ASN : amide:sc= -0.0807 K(o=-0.081,f=-1.8!) USER MOD Single : C 3 GLN : amide:sc= -0.768 K(o=-0.77,f=-4.7!) USER MOD Single : C 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 9 GLN : amide:sc= -4.18! C(o=-4.2!,f=-5.3!) USER MOD Single : C 10 MET CE :methyl -162:sc= -0.0779 (180deg=-0.446) USER MOD Single : C 12 SER OG : rot 180:sc= 0 USER MOD Single : C 15 SER OG : rot 78:sc= 0.567 USER MOD Single : C 21 ASN : amide:sc= 0.358 K(o=0.36,f=-2.8!) USER MOD Single : C 22 LYS NZ :NH3+ -165:sc= -5.9! (180deg=-6.33!) USER MOD Single : C 24 LYS NZ :NH3+ 160:sc= -0.224 (180deg=-0.879) USER MOD Single : C 26 LYS NZ :NH3+ 172:sc= 1.3 (180deg=1.27) USER MOD Single : C 28 SER OG : rot 180:sc= 0 USER MOD Single : C 30 SER OG : rot 180:sc= -0.0695 USER MOD Single : C 31 MET CE :methyl -134:sc= -0.706 (180deg=-3.92) USER MOD Single : C 32 ASN : amide:sc= 0.705 K(o=0.7,f=-0.0094) USER MOD Single : C 34 ASN :FLIP amide:sc= -0.284 F(o=-1.5!,f=-0.28) USER MOD Single : C 35 GLN :FLIP amide:sc= -3! C(o=-3.7!,f=-3!) USER MOD Single : C 37 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0328) USER MOD Single : C 39 THR OG1 : rot 180:sc= 0 USER MOD Single : C 40 SER OG : rot 45:sc= -1.91! USER MOD Single : C 41 SER OG : rot 180:sc= 0.167 USER MOD Single : C 42 ASN : amide:sc= -1.98! C(o=-2!,f=-1.9!) 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 52 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.263) USER MOD Single : C 53 ASN :FLIP amide:sc= -0.386 F(o=-3.5!,f=-0.39) USER MOD Single : C 59 ASN : amide:sc= -0.0871 K(o=-0.087,f=-5.2!) USER MOD Single : C 64 TYR OH : rot 180:sc= 0 USER MOD Single : C 67 ASN : amide:sc= 0 K(o=0,f=-2.7!) USER MOD Single : C 69 LYS NZ :NH3+ -162:sc= -0.0501 (180deg=-0.341) USER MOD Single : C 70 SER OG : rot 95:sc= 0.0423 USER MOD Single : C 76 SER OG : rot -63:sc= -0.225 USER MOD Single : C 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 83 ASN :FLIP amide:sc= -0.46 F(o=-1.2!,f=-0.46) USER MOD Single : C 85 LYS NZ :NH3+ 177:sc= 1.07 (180deg=1.06) USER MOD Single : C 88 TYR OH : rot 180:sc= 0 USER MOD Single : C 92 LYS NZ :NH3+ -130:sc= 1.22 (180deg=0.988) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP C 1 -22.525 -3.451 8.645 1.00 0.00 N ATOM 2 CA ASP C 1 -21.263 -3.038 7.994 1.00 0.00 C ATOM 3 C ASP C 1 -20.507 -4.271 7.517 1.00 0.00 C ATOM 4 O ASP C 1 -20.204 -5.163 8.307 1.00 0.00 O ATOM 5 CB ASP C 1 -20.391 -2.241 8.972 1.00 0.00 C ATOM 6 CG ASP C 1 -19.289 -1.462 8.277 1.00 0.00 C ATOM 7 OD1 ASP C 1 -18.543 -2.055 7.470 1.00 0.00 O ATOM 8 OD2 ASP C 1 -19.166 -0.247 8.531 1.00 0.00 O1- ATOM 0 H1 ASP C 1 -23.040 -2.608 8.970 1.00 0.00 H new ATOM 0 H2 ASP C 1 -23.112 -3.974 7.964 1.00 0.00 H new ATOM 0 H3 ASP C 1 -22.312 -4.062 9.459 1.00 0.00 H new ATOM 0 HA ASP C 1 -21.499 -2.403 7.140 1.00 0.00 H new ATOM 0 HB2 ASP C 1 -21.020 -1.550 9.532 1.00 0.00 H new ATOM 0 HB3 ASP C 1 -19.946 -2.925 9.695 1.00 0.00 H new ATOM 13 N ASN C 2 -20.196 -4.319 6.229 1.00 0.00 N ATOM 14 CA ASN C 2 -19.551 -5.492 5.641 1.00 0.00 C ATOM 15 C ASN C 2 -18.403 -5.090 4.740 1.00 0.00 C ATOM 16 O ASN C 2 -17.560 -5.914 4.394 1.00 0.00 O ATOM 17 CB ASN C 2 -20.540 -6.350 4.846 1.00 0.00 C ATOM 18 CG ASN C 2 -21.345 -7.287 5.723 1.00 0.00 C ATOM 19 OD1 ASN C 2 -20.904 -7.682 6.803 1.00 0.00 O ATOM 20 ND2 ASN C 2 -22.520 -7.666 5.255 1.00 0.00 N ATOM 0 H ASN C 2 -20.378 -3.562 5.570 1.00 0.00 H new ATOM 0 HA ASN C 2 -19.168 -6.084 6.472 1.00 0.00 H new ATOM 0 HB2 ASN C 2 -21.221 -5.698 4.299 1.00 0.00 H new ATOM 0 HB3 ASN C 2 -19.993 -6.934 4.105 1.00 0.00 H new ATOM 0 HD21 ASN C 2 -23.100 -8.310 5.793 1.00 0.00 H new ATOM 0 HD22 ASN C 2 -22.848 -7.315 4.355 1.00 0.00 H new ATOM 27 N GLN C 3 -18.369 -3.824 4.359 1.00 0.00 N ATOM 28 CA GLN C 3 -17.240 -3.287 3.614 1.00 0.00 C ATOM 29 C GLN C 3 -16.011 -3.334 4.492 1.00 0.00 C ATOM 30 O GLN C 3 -14.885 -3.380 4.012 1.00 0.00 O ATOM 31 CB GLN C 3 -17.519 -1.853 3.175 1.00 0.00 C ATOM 32 CG GLN C 3 -18.390 -1.744 1.940 1.00 0.00 C ATOM 33 CD GLN C 3 -19.654 -2.584 2.016 1.00 0.00 C ATOM 34 OE1 GLN C 3 -19.669 -3.746 1.609 1.00 0.00 O ATOM 35 NE2 GLN C 3 -20.717 -2.009 2.545 1.00 0.00 N ATOM 0 H GLN C 3 -19.109 -3.149 4.552 1.00 0.00 H new ATOM 0 HA GLN C 3 -17.078 -3.887 2.719 1.00 0.00 H new ATOM 0 HB2 GLN C 3 -18.001 -1.320 3.995 1.00 0.00 H new ATOM 0 HB3 GLN C 3 -16.570 -1.352 2.983 1.00 0.00 H new ATOM 0 HG2 GLN C 3 -18.665 -0.700 1.790 1.00 0.00 H new ATOM 0 HG3 GLN C 3 -17.811 -2.050 1.068 1.00 0.00 H new ATOM 0 HE21 GLN C 3 -20.666 -1.044 2.871 1.00 0.00 H new ATOM 0 HE22 GLN C 3 -21.590 -2.530 2.628 1.00 0.00 H new ATOM 44 N LYS C 4 -16.272 -3.323 5.792 1.00 0.00 N ATOM 45 CA LYS C 4 -15.248 -3.488 6.810 1.00 0.00 C ATOM 46 C LYS C 4 -14.525 -4.822 6.644 1.00 0.00 C ATOM 47 O LYS C 4 -13.343 -4.947 6.963 1.00 0.00 O ATOM 48 CB LYS C 4 -15.898 -3.445 8.191 1.00 0.00 C ATOM 49 CG LYS C 4 -14.965 -2.936 9.281 1.00 0.00 C ATOM 50 CD LYS C 4 -15.582 -3.057 10.666 1.00 0.00 C ATOM 51 CE LYS C 4 -16.797 -2.160 10.828 1.00 0.00 C ATOM 52 NZ LYS C 4 -17.346 -2.218 12.209 1.00 0.00 N1+ ATOM 0 H LYS C 4 -17.210 -3.198 6.172 1.00 0.00 H new ATOM 0 HA LYS C 4 -14.524 -2.680 6.705 1.00 0.00 H new ATOM 0 HB2 LYS C 4 -16.780 -2.806 8.150 1.00 0.00 H new ATOM 0 HB3 LYS C 4 -16.241 -4.445 8.454 1.00 0.00 H new ATOM 0 HG2 LYS C 4 -14.032 -3.498 9.250 1.00 0.00 H new ATOM 0 HG3 LYS C 4 -14.715 -1.893 9.086 1.00 0.00 H new ATOM 0 HD2 LYS C 4 -15.870 -4.093 10.845 1.00 0.00 H new ATOM 0 HD3 LYS C 4 -14.837 -2.798 11.419 1.00 0.00 H new ATOM 0 HE2 LYS C 4 -16.525 -1.132 10.588 1.00 0.00 H new ATOM 0 HE3 LYS C 4 -17.567 -2.460 10.118 1.00 0.00 H new ATOM 0 HZ1 LYS C 4 -18.174 -1.593 12.280 1.00 0.00 H new ATOM 0 HZ2 LYS C 4 -17.629 -3.194 12.429 1.00 0.00 H new ATOM 0 HZ3 LYS C 4 -16.619 -1.908 12.885 1.00 0.00 H new ATOM 66 N ALA C 5 -15.266 -5.834 6.208 1.00 0.00 N ATOM 67 CA ALA C 5 -14.707 -7.156 5.980 1.00 0.00 C ATOM 68 C ALA C 5 -14.277 -7.362 4.532 1.00 0.00 C ATOM 69 O ALA C 5 -13.154 -7.785 4.257 1.00 0.00 O ATOM 70 CB ALA C 5 -15.706 -8.223 6.395 1.00 0.00 C ATOM 0 H ALA C 5 -16.263 -5.760 6.005 1.00 0.00 H new ATOM 0 HA ALA C 5 -13.810 -7.241 6.593 1.00 0.00 H new ATOM 0 HB1 ALA C 5 -15.278 -9.210 6.220 1.00 0.00 H new ATOM 0 HB2 ALA C 5 -15.939 -8.111 7.454 1.00 0.00 H new ATOM 0 HB3 ALA C 5 -16.619 -8.115 5.809 1.00 0.00 H new ATOM 76 N LEU C 6 -15.193 -7.074 3.620 1.00 0.00 N ATOM 77 CA LEU C 6 -15.015 -7.393 2.203 1.00 0.00 C ATOM 78 C LEU C 6 -14.384 -6.255 1.392 1.00 0.00 C ATOM 79 O LEU C 6 -13.169 -6.218 1.205 1.00 0.00 O ATOM 80 CB LEU C 6 -16.356 -7.785 1.558 1.00 0.00 C ATOM 81 CG LEU C 6 -16.859 -9.213 1.827 1.00 0.00 C ATOM 82 CD1 LEU C 6 -15.811 -10.239 1.426 1.00 0.00 C ATOM 83 CD2 LEU C 6 -17.260 -9.394 3.283 1.00 0.00 C ATOM 0 H LEU C 6 -16.078 -6.615 3.835 1.00 0.00 H new ATOM 0 HA LEU C 6 -14.322 -8.234 2.179 1.00 0.00 H new ATOM 0 HB2 LEU C 6 -17.117 -7.085 1.903 1.00 0.00 H new ATOM 0 HB3 LEU C 6 -16.267 -7.653 0.480 1.00 0.00 H new ATOM 0 HG LEU C 6 -17.747 -9.372 1.215 1.00 0.00 H new ATOM 0 HD11 LEU C 6 -16.189 -11.242 1.625 1.00 0.00 H new ATOM 0 HD12 LEU C 6 -15.591 -10.138 0.363 1.00 0.00 H new ATOM 0 HD13 LEU C 6 -14.900 -10.073 2.002 1.00 0.00 H new ATOM 0 HD21 LEU C 6 -17.611 -10.414 3.440 1.00 0.00 H new ATOM 0 HD22 LEU C 6 -16.399 -9.204 3.924 1.00 0.00 H new ATOM 0 HD23 LEU C 6 -18.058 -8.694 3.530 1.00 0.00 H new ATOM 95 N GLU C 7 -15.234 -5.329 0.939 1.00 0.00 N ATOM 96 CA GLU C 7 -14.903 -4.389 -0.146 1.00 0.00 C ATOM 97 C GLU C 7 -13.581 -3.650 0.053 1.00 0.00 C ATOM 98 O GLU C 7 -12.671 -3.766 -0.769 1.00 0.00 O ATOM 99 CB GLU C 7 -16.020 -3.362 -0.314 1.00 0.00 C ATOM 100 CG GLU C 7 -17.395 -3.971 -0.525 1.00 0.00 C ATOM 101 CD GLU C 7 -17.450 -4.932 -1.693 1.00 0.00 C ATOM 102 OE1 GLU C 7 -17.645 -6.141 -1.459 1.00 0.00 O ATOM 103 OE2 GLU C 7 -17.309 -4.481 -2.850 1.00 0.00 O1- ATOM 0 H GLU C 7 -16.175 -5.206 1.313 1.00 0.00 H new ATOM 0 HA GLU C 7 -14.795 -5.002 -1.041 1.00 0.00 H new ATOM 0 HB2 GLU C 7 -16.049 -2.724 0.569 1.00 0.00 H new ATOM 0 HB3 GLU C 7 -15.784 -2.720 -1.163 1.00 0.00 H new ATOM 0 HG2 GLU C 7 -17.696 -4.495 0.382 1.00 0.00 H new ATOM 0 HG3 GLU C 7 -18.118 -3.172 -0.686 1.00 0.00 H new ATOM 110 N GLU C 8 -13.483 -2.892 1.135 1.00 0.00 N ATOM 111 CA GLU C 8 -12.338 -2.004 1.353 1.00 0.00 C ATOM 112 C GLU C 8 -11.027 -2.785 1.495 1.00 0.00 C ATOM 113 O GLU C 8 -9.941 -2.214 1.419 1.00 0.00 O ATOM 114 CB GLU C 8 -12.569 -1.152 2.607 1.00 0.00 C ATOM 115 CG GLU C 8 -13.955 -0.530 2.677 1.00 0.00 C ATOM 116 CD GLU C 8 -14.193 0.247 3.957 1.00 0.00 C ATOM 117 OE1 GLU C 8 -14.401 -0.382 5.019 1.00 0.00 O ATOM 118 OE2 GLU C 8 -14.198 1.494 3.905 1.00 0.00 O1- ATOM 0 H GLU C 8 -14.180 -2.870 1.879 1.00 0.00 H new ATOM 0 HA GLU C 8 -12.250 -1.360 0.478 1.00 0.00 H new ATOM 0 HB2 GLU C 8 -12.414 -1.772 3.490 1.00 0.00 H new ATOM 0 HB3 GLU C 8 -11.822 -0.359 2.639 1.00 0.00 H new ATOM 0 HG2 GLU C 8 -14.092 0.135 1.824 1.00 0.00 H new ATOM 0 HG3 GLU C 8 -14.705 -1.317 2.591 1.00 0.00 H new ATOM 125 N GLN C 9 -11.132 -4.089 1.706 1.00 0.00 N ATOM 126 CA GLN C 9 -9.960 -4.921 1.969 1.00 0.00 C ATOM 127 C GLN C 9 -9.839 -6.057 0.956 1.00 0.00 C ATOM 128 O GLN C 9 -9.164 -7.045 1.228 1.00 0.00 O ATOM 129 CB GLN C 9 -9.995 -5.522 3.381 1.00 0.00 C ATOM 130 CG GLN C 9 -10.238 -4.518 4.497 1.00 0.00 C ATOM 131 CD GLN C 9 -11.692 -4.112 4.592 1.00 0.00 C ATOM 132 OE1 GLN C 9 -12.578 -4.884 4.240 1.00 0.00 O ATOM 133 NE2 GLN C 9 -11.949 -2.906 5.066 1.00 0.00 N ATOM 0 H GLN C 9 -12.016 -4.597 1.701 1.00 0.00 H new ATOM 0 HA GLN C 9 -9.095 -4.264 1.880 1.00 0.00 H new ATOM 0 HB2 GLN C 9 -10.776 -6.281 3.418 1.00 0.00 H new ATOM 0 HB3 GLN C 9 -9.049 -6.029 3.568 1.00 0.00 H new ATOM 0 HG2 GLN C 9 -9.920 -4.948 5.447 1.00 0.00 H new ATOM 0 HG3 GLN C 9 -9.625 -3.633 4.327 1.00 0.00 H new ATOM 0 HE21 GLN C 9 -11.183 -2.295 5.348 1.00 0.00 H new ATOM 0 HE22 GLN C 9 -12.914 -2.586 5.150 1.00 0.00 H new ATOM 142 N MET C 10 -10.517 -5.941 -0.182 1.00 0.00 N ATOM 143 CA MET C 10 -10.592 -7.046 -1.145 1.00 0.00 C ATOM 144 C MET C 10 -9.220 -7.502 -1.645 1.00 0.00 C ATOM 145 O MET C 10 -8.231 -6.793 -1.533 1.00 0.00 O ATOM 146 CB MET C 10 -11.483 -6.683 -2.336 1.00 0.00 C ATOM 147 CG MET C 10 -12.967 -6.639 -2.008 1.00 0.00 C ATOM 148 SD MET C 10 -13.629 -8.238 -1.486 1.00 0.00 S ATOM 149 CE MET C 10 -13.397 -9.212 -2.972 1.00 0.00 C ATOM 0 H MET C 10 -11.021 -5.100 -0.463 1.00 0.00 H new ATOM 0 HA MET C 10 -11.034 -7.882 -0.603 1.00 0.00 H new ATOM 0 HB2 MET C 10 -11.178 -5.710 -2.722 1.00 0.00 H new ATOM 0 HB3 MET C 10 -11.319 -7.408 -3.133 1.00 0.00 H new ATOM 0 HG2 MET C 10 -13.136 -5.908 -1.218 1.00 0.00 H new ATOM 0 HG3 MET C 10 -13.516 -6.294 -2.884 1.00 0.00 H new ATOM 0 HE1 MET C 10 -14.028 -10.100 -2.927 1.00 0.00 H new ATOM 0 HE2 MET C 10 -13.669 -8.617 -3.843 1.00 0.00 H new ATOM 0 HE3 MET C 10 -12.352 -9.513 -3.050 1.00 0.00 H new ATOM 159 N ASN C 11 -9.198 -8.701 -2.229 1.00 0.00 N ATOM 160 CA ASN C 11 -7.957 -9.438 -2.494 1.00 0.00 C ATOM 161 C ASN C 11 -6.967 -8.654 -3.343 1.00 0.00 C ATOM 162 O ASN C 11 -5.771 -8.943 -3.313 1.00 0.00 O ATOM 163 CB ASN C 11 -8.259 -10.783 -3.161 1.00 0.00 C ATOM 164 CG ASN C 11 -9.124 -11.689 -2.301 1.00 0.00 C ATOM 165 OD1 ASN C 11 -9.005 -11.564 -0.989 1.00 0.00 O flip ATOM 166 ND2 ASN C 11 -9.895 -12.501 -2.813 1.00 0.00 N flip ATOM 0 H ASN C 11 -10.040 -9.191 -2.533 1.00 0.00 H new ATOM 0 HA ASN C 11 -7.489 -9.604 -1.524 1.00 0.00 H new ATOM 0 HB2 ASN C 11 -8.761 -10.606 -4.112 1.00 0.00 H new ATOM 0 HB3 ASN C 11 -7.321 -11.291 -3.385 1.00 0.00 H new ATOM 0 HD21 ASN C 11 -9.962 -12.571 -3.828 1.00 0.00 H new ATOM 0 HD22 ASN C 11 -10.467 -13.104 -2.222 1.00 0.00 H new ATOM 173 N SER C 12 -7.459 -7.668 -4.085 1.00 0.00 N ATOM 174 CA SER C 12 -6.603 -6.794 -4.879 1.00 0.00 C ATOM 175 C SER C 12 -5.482 -6.197 -4.023 1.00 0.00 C ATOM 176 O SER C 12 -4.328 -6.141 -4.446 1.00 0.00 O ATOM 177 CB SER C 12 -7.442 -5.676 -5.498 1.00 0.00 C ATOM 178 OG SER C 12 -8.521 -6.212 -6.247 1.00 0.00 O ATOM 0 H SER C 12 -8.454 -7.453 -4.153 1.00 0.00 H new ATOM 0 HA SER C 12 -6.145 -7.386 -5.671 1.00 0.00 H new ATOM 0 HB2 SER C 12 -7.826 -5.026 -4.712 1.00 0.00 H new ATOM 0 HB3 SER C 12 -6.816 -5.060 -6.143 1.00 0.00 H new ATOM 0 HG SER C 12 -9.046 -5.480 -6.633 1.00 0.00 H new ATOM 184 N ILE C 13 -5.826 -5.776 -2.813 1.00 0.00 N ATOM 185 CA ILE C 13 -4.847 -5.196 -1.903 1.00 0.00 C ATOM 186 C ILE C 13 -4.150 -6.284 -1.080 1.00 0.00 C ATOM 187 O ILE C 13 -2.970 -6.169 -0.764 1.00 0.00 O ATOM 188 CB ILE C 13 -5.495 -4.144 -0.963 1.00 0.00 C ATOM 189 CG1 ILE C 13 -4.546 -3.756 0.169 1.00 0.00 C ATOM 190 CG2 ILE C 13 -6.812 -4.636 -0.390 1.00 0.00 C ATOM 191 CD1 ILE C 13 -5.267 -3.204 1.378 1.00 0.00 C ATOM 0 H ILE C 13 -6.774 -5.825 -2.439 1.00 0.00 H new ATOM 0 HA ILE C 13 -4.100 -4.689 -2.513 1.00 0.00 H new ATOM 0 HB ILE C 13 -5.697 -3.261 -1.569 1.00 0.00 H new ATOM 0 HG12 ILE C 13 -3.966 -4.630 0.466 1.00 0.00 H new ATOM 0 HG13 ILE C 13 -3.838 -3.012 -0.196 1.00 0.00 H new ATOM 0 HG21 ILE C 13 -7.233 -3.871 0.262 1.00 0.00 H new ATOM 0 HG22 ILE C 13 -7.508 -4.843 -1.203 1.00 0.00 H new ATOM 0 HG23 ILE C 13 -6.642 -5.548 0.183 1.00 0.00 H new ATOM 0 HD11 ILE C 13 -4.540 -2.946 2.149 1.00 0.00 H new ATOM 0 HD12 ILE C 13 -5.825 -2.312 1.093 1.00 0.00 H new ATOM 0 HD13 ILE C 13 -5.956 -3.955 1.765 1.00 0.00 H new ATOM 203 N ASN C 14 -4.871 -7.354 -0.767 1.00 0.00 N ATOM 204 CA ASN C 14 -4.339 -8.421 0.091 1.00 0.00 C ATOM 205 C ASN C 14 -3.169 -9.130 -0.559 1.00 0.00 C ATOM 206 O ASN C 14 -2.171 -9.425 0.096 1.00 0.00 O ATOM 207 CB ASN C 14 -5.395 -9.463 0.387 1.00 0.00 C ATOM 208 CG ASN C 14 -6.657 -8.900 0.996 1.00 0.00 C ATOM 209 OD1 ASN C 14 -6.525 -7.858 1.805 1.00 0.00 O flip ATOM 210 ND2 ASN C 14 -7.748 -9.412 0.749 1.00 0.00 N flip ATOM 0 H ASN C 14 -5.825 -7.511 -1.091 1.00 0.00 H new ATOM 0 HA ASN C 14 -4.015 -7.936 1.012 1.00 0.00 H new ATOM 0 HB2 ASN C 14 -5.649 -9.981 -0.538 1.00 0.00 H new ATOM 0 HB3 ASN C 14 -4.977 -10.207 1.065 1.00 0.00 H new ATOM 0 HD21 ASN C 14 -7.805 -10.213 0.120 1.00 0.00 H new ATOM 0 HD22 ASN C 14 -8.596 -9.035 1.173 1.00 0.00 H new ATOM 217 N SER C 15 -3.303 -9.431 -1.845 1.00 0.00 N ATOM 218 CA SER C 15 -2.232 -10.080 -2.584 1.00 0.00 C ATOM 219 C SER C 15 -0.988 -9.199 -2.579 1.00 0.00 C ATOM 220 O SER C 15 0.130 -9.677 -2.748 1.00 0.00 O ATOM 221 CB SER C 15 -2.681 -10.369 -4.015 1.00 0.00 C ATOM 222 OG SER C 15 -3.898 -11.102 -4.023 1.00 0.00 O ATOM 0 H SER C 15 -4.140 -9.236 -2.394 1.00 0.00 H new ATOM 0 HA SER C 15 -1.989 -11.027 -2.102 1.00 0.00 H new ATOM 0 HB2 SER C 15 -2.812 -9.432 -4.556 1.00 0.00 H new ATOM 0 HB3 SER C 15 -1.908 -10.933 -4.537 1.00 0.00 H new ATOM 0 HG SER C 15 -4.646 -10.495 -3.844 1.00 0.00 H new ATOM 228 N VAL C 16 -1.203 -7.909 -2.364 1.00 0.00 N ATOM 229 CA VAL C 16 -0.115 -6.965 -2.225 1.00 0.00 C ATOM 230 C VAL C 16 0.373 -6.931 -0.782 1.00 0.00 C ATOM 231 O VAL C 16 1.566 -6.751 -0.531 1.00 0.00 O ATOM 232 CB VAL C 16 -0.542 -5.553 -2.653 1.00 0.00 C ATOM 233 CG1 VAL C 16 0.627 -4.588 -2.557 1.00 0.00 C ATOM 234 CG2 VAL C 16 -1.097 -5.576 -4.065 1.00 0.00 C ATOM 0 H VAL C 16 -2.131 -7.494 -2.282 1.00 0.00 H new ATOM 0 HA VAL C 16 0.694 -7.295 -2.877 1.00 0.00 H new ATOM 0 HB VAL C 16 -1.325 -5.210 -1.977 1.00 0.00 H new ATOM 0 HG11 VAL C 16 0.304 -3.593 -2.864 1.00 0.00 H new ATOM 0 HG12 VAL C 16 0.985 -4.551 -1.528 1.00 0.00 H new ATOM 0 HG13 VAL C 16 1.432 -4.926 -3.209 1.00 0.00 H new ATOM 0 HG21 VAL C 16 -1.396 -4.569 -4.355 1.00 0.00 H new ATOM 0 HG22 VAL C 16 -0.332 -5.939 -4.751 1.00 0.00 H new ATOM 0 HG23 VAL C 16 -1.963 -6.237 -4.105 1.00 0.00 H new ATOM 244 N ASN C 17 -0.546 -7.132 0.166 1.00 0.00 N ATOM 245 CA ASN C 17 -0.178 -7.160 1.582 1.00 0.00 C ATOM 246 C ASN C 17 0.880 -8.233 1.798 1.00 0.00 C ATOM 247 O ASN C 17 1.920 -7.999 2.418 1.00 0.00 O ATOM 248 CB ASN C 17 -1.387 -7.481 2.475 1.00 0.00 C ATOM 249 CG ASN C 17 -2.507 -6.460 2.395 1.00 0.00 C ATOM 250 OD1 ASN C 17 -2.167 -5.219 2.099 1.00 0.00 O flip ATOM 251 ND2 ASN C 17 -3.677 -6.790 2.601 1.00 0.00 N flip ATOM 0 H ASN C 17 -1.539 -7.276 -0.019 1.00 0.00 H new ATOM 0 HA ASN C 17 0.200 -6.174 1.852 1.00 0.00 H new ATOM 0 HB2 ASN C 17 -1.781 -8.459 2.197 1.00 0.00 H new ATOM 0 HB3 ASN C 17 -1.051 -7.555 3.509 1.00 0.00 H new ATOM 0 HD21 ASN C 17 -3.901 -7.759 2.827 1.00 0.00 H new ATOM 0 HD22 ASN C 17 -4.421 -6.094 2.545 1.00 0.00 H new ATOM 258 N ASP C 18 0.602 -9.409 1.246 1.00 0.00 N ATOM 259 CA ASP C 18 1.490 -10.560 1.363 1.00 0.00 C ATOM 260 C ASP C 18 2.660 -10.474 0.393 1.00 0.00 C ATOM 261 O ASP C 18 3.654 -11.179 0.551 1.00 0.00 O ATOM 262 CB ASP C 18 0.716 -11.857 1.120 1.00 0.00 C ATOM 263 CG ASP C 18 -0.023 -12.331 2.353 1.00 0.00 C ATOM 264 OD1 ASP C 18 -1.243 -12.094 2.450 1.00 0.00 O ATOM 265 OD2 ASP C 18 0.616 -12.938 3.237 1.00 0.00 O1- ATOM 0 H ASP C 18 -0.244 -9.591 0.706 1.00 0.00 H new ATOM 0 HA ASP C 18 1.891 -10.558 2.377 1.00 0.00 H new ATOM 0 HB2 ASP C 18 0.003 -11.705 0.309 1.00 0.00 H new ATOM 0 HB3 ASP C 18 1.408 -12.634 0.794 1.00 0.00 H new ATOM 270 N LYS C 19 2.548 -9.610 -0.607 1.00 0.00 N ATOM 271 CA LYS C 19 3.607 -9.473 -1.594 1.00 0.00 C ATOM 272 C LYS C 19 4.709 -8.598 -1.035 1.00 0.00 C ATOM 273 O LYS C 19 5.891 -8.887 -1.198 1.00 0.00 O ATOM 274 CB LYS C 19 3.085 -8.863 -2.896 1.00 0.00 C ATOM 275 CG LYS C 19 4.142 -8.806 -3.988 1.00 0.00 C ATOM 276 CD LYS C 19 3.640 -8.097 -5.235 1.00 0.00 C ATOM 277 CE LYS C 19 4.695 -8.099 -6.331 1.00 0.00 C ATOM 278 NZ LYS C 19 5.969 -7.475 -5.880 1.00 0.00 N1+ ATOM 0 H LYS C 19 1.744 -9.000 -0.754 1.00 0.00 H new ATOM 0 HA LYS C 19 3.992 -10.468 -1.816 1.00 0.00 H new ATOM 0 HB2 LYS C 19 2.235 -9.447 -3.250 1.00 0.00 H new ATOM 0 HB3 LYS C 19 2.719 -7.855 -2.698 1.00 0.00 H new ATOM 0 HG2 LYS C 19 5.025 -8.291 -3.610 1.00 0.00 H new ATOM 0 HG3 LYS C 19 4.450 -9.819 -4.247 1.00 0.00 H new ATOM 0 HD2 LYS C 19 2.736 -8.587 -5.596 1.00 0.00 H new ATOM 0 HD3 LYS C 19 3.369 -7.070 -4.989 1.00 0.00 H new ATOM 0 HE2 LYS C 19 4.886 -9.124 -6.648 1.00 0.00 H new ATOM 0 HE3 LYS C 19 4.316 -7.561 -7.200 1.00 0.00 H new ATOM 0 HZ1 LYS C 19 6.637 -7.435 -6.676 1.00 0.00 H new ATOM 0 HZ2 LYS C 19 5.781 -6.511 -5.537 1.00 0.00 H new ATOM 0 HZ3 LYS C 19 6.380 -8.042 -5.111 1.00 0.00 H new ATOM 292 N LEU C 20 4.297 -7.529 -0.373 1.00 0.00 N ATOM 293 CA LEU C 20 5.221 -6.593 0.237 1.00 0.00 C ATOM 294 C LEU C 20 5.910 -7.228 1.437 1.00 0.00 C ATOM 295 O LEU C 20 7.090 -6.991 1.692 1.00 0.00 O ATOM 296 CB LEU C 20 4.466 -5.336 0.658 1.00 0.00 C ATOM 297 CG LEU C 20 3.858 -4.529 -0.493 1.00 0.00 C ATOM 298 CD1 LEU C 20 3.129 -3.311 0.045 1.00 0.00 C ATOM 299 CD2 LEU C 20 4.936 -4.113 -1.485 1.00 0.00 C ATOM 0 H LEU C 20 3.314 -7.288 -0.245 1.00 0.00 H new ATOM 0 HA LEU C 20 5.988 -6.324 -0.489 1.00 0.00 H new ATOM 0 HB2 LEU C 20 3.667 -5.622 1.342 1.00 0.00 H new ATOM 0 HB3 LEU C 20 5.146 -4.691 1.214 1.00 0.00 H new ATOM 0 HG LEU C 20 3.139 -5.160 -1.016 1.00 0.00 H new ATOM 0 HD11 LEU C 20 2.702 -2.747 -0.784 1.00 0.00 H new ATOM 0 HD12 LEU C 20 2.331 -3.631 0.715 1.00 0.00 H new ATOM 0 HD13 LEU C 20 3.830 -2.679 0.591 1.00 0.00 H new ATOM 0 HD21 LEU C 20 4.484 -3.541 -2.295 1.00 0.00 H new ATOM 0 HD22 LEU C 20 5.680 -3.498 -0.978 1.00 0.00 H new ATOM 0 HD23 LEU C 20 5.417 -5.002 -1.893 1.00 0.00 H new ATOM 311 N ASN C 21 5.165 -8.041 2.170 1.00 0.00 N ATOM 312 CA ASN C 21 5.718 -8.787 3.292 1.00 0.00 C ATOM 313 C ASN C 21 6.437 -10.034 2.778 1.00 0.00 C ATOM 314 O ASN C 21 5.924 -11.148 2.874 1.00 0.00 O ATOM 315 CB ASN C 21 4.608 -9.162 4.283 1.00 0.00 C ATOM 316 CG ASN C 21 4.200 -8.001 5.181 1.00 0.00 C ATOM 317 OD1 ASN C 21 4.789 -7.792 6.238 1.00 0.00 O ATOM 318 ND2 ASN C 21 3.184 -7.242 4.785 1.00 0.00 N ATOM 0 H ASN C 21 4.171 -8.202 2.008 1.00 0.00 H new ATOM 0 HA ASN C 21 6.440 -8.162 3.818 1.00 0.00 H new ATOM 0 HB2 ASN C 21 3.736 -9.511 3.730 1.00 0.00 H new ATOM 0 HB3 ASN C 21 4.946 -9.993 4.902 1.00 0.00 H new ATOM 0 HD21 ASN C 21 2.874 -6.462 5.364 1.00 0.00 H new ATOM 0 HD22 ASN C 21 2.714 -7.440 3.902 1.00 0.00 H new ATOM 325 N LYS C 22 7.632 -9.829 2.228 1.00 0.00 N ATOM 326 CA LYS C 22 8.359 -10.893 1.537 1.00 0.00 C ATOM 327 C LYS C 22 9.702 -11.219 2.189 1.00 0.00 C ATOM 328 O LYS C 22 10.483 -12.001 1.645 1.00 0.00 O ATOM 329 CB LYS C 22 8.566 -10.508 0.067 1.00 0.00 C ATOM 330 CG LYS C 22 8.753 -9.011 -0.176 1.00 0.00 C ATOM 331 CD LYS C 22 10.101 -8.486 0.300 1.00 0.00 C ATOM 332 CE LYS C 22 10.201 -6.978 0.091 1.00 0.00 C ATOM 333 NZ LYS C 22 9.696 -6.584 -1.258 1.00 0.00 N1+ ATOM 0 H LYS C 22 8.119 -8.933 2.247 1.00 0.00 H new ATOM 0 HA LYS C 22 7.750 -11.795 1.607 1.00 0.00 H new ATOM 0 HB2 LYS C 22 9.439 -11.037 -0.314 1.00 0.00 H new ATOM 0 HB3 LYS C 22 7.708 -10.852 -0.510 1.00 0.00 H new ATOM 0 HG2 LYS C 22 8.648 -8.807 -1.242 1.00 0.00 H new ATOM 0 HG3 LYS C 22 7.958 -8.466 0.333 1.00 0.00 H new ATOM 0 HD2 LYS C 22 10.235 -8.721 1.356 1.00 0.00 H new ATOM 0 HD3 LYS C 22 10.903 -8.987 -0.242 1.00 0.00 H new ATOM 0 HE2 LYS C 22 9.627 -6.463 0.861 1.00 0.00 H new ATOM 0 HE3 LYS C 22 11.238 -6.661 0.201 1.00 0.00 H new ATOM 0 HZ1 LYS C 22 10.003 -5.614 -1.474 1.00 0.00 H new ATOM 0 HZ2 LYS C 22 10.076 -7.235 -1.975 1.00 0.00 H new ATOM 0 HZ3 LYS C 22 8.657 -6.628 -1.266 1.00 0.00 H new ATOM 347 N GLY C 23 9.967 -10.633 3.342 1.00 0.00 N ATOM 348 CA GLY C 23 11.216 -10.892 4.032 1.00 0.00 C ATOM 349 C GLY C 23 11.899 -9.613 4.436 1.00 0.00 C ATOM 350 O GLY C 23 11.979 -9.288 5.621 1.00 0.00 O ATOM 0 H GLY C 23 9.341 -9.981 3.816 1.00 0.00 H new ATOM 0 HA2 GLY C 23 11.025 -11.499 4.917 1.00 0.00 H new ATOM 0 HA3 GLY C 23 11.877 -11.470 3.386 1.00 0.00 H new ATOM 354 N LYS C 24 12.374 -8.880 3.447 1.00 0.00 N ATOM 355 CA LYS C 24 12.898 -7.545 3.674 1.00 0.00 C ATOM 356 C LYS C 24 11.752 -6.557 3.726 1.00 0.00 C ATOM 357 O LYS C 24 10.612 -6.966 3.921 1.00 0.00 O ATOM 358 CB LYS C 24 13.897 -7.153 2.593 1.00 0.00 C ATOM 359 CG LYS C 24 15.291 -7.688 2.842 1.00 0.00 C ATOM 360 CD LYS C 24 16.271 -7.131 1.837 1.00 0.00 C ATOM 361 CE LYS C 24 17.593 -7.879 1.873 1.00 0.00 C ATOM 362 NZ LYS C 24 17.408 -9.349 1.733 1.00 0.00 N1+ ATOM 0 H LYS C 24 12.408 -9.187 2.475 1.00 0.00 H new ATOM 0 HA LYS C 24 13.427 -7.534 4.627 1.00 0.00 H new ATOM 0 HB2 LYS C 24 13.542 -7.519 1.630 1.00 0.00 H new ATOM 0 HB3 LYS C 24 13.940 -6.066 2.525 1.00 0.00 H new ATOM 0 HG2 LYS C 24 15.610 -7.426 3.851 1.00 0.00 H new ATOM 0 HG3 LYS C 24 15.283 -8.776 2.783 1.00 0.00 H new ATOM 0 HD2 LYS C 24 15.843 -7.195 0.837 1.00 0.00 H new ATOM 0 HD3 LYS C 24 16.444 -6.075 2.043 1.00 0.00 H new ATOM 0 HE2 LYS C 24 18.236 -7.517 1.071 1.00 0.00 H new ATOM 0 HE3 LYS C 24 18.104 -7.666 2.812 1.00 0.00 H new ATOM 0 HZ1 LYS C 24 18.302 -9.784 1.426 1.00 0.00 H new ATOM 0 HZ2 LYS C 24 17.124 -9.752 2.649 1.00 0.00 H new ATOM 0 HZ3 LYS C 24 16.669 -9.540 1.026 1.00 0.00 H new ATOM 376 N GLY C 25 12.055 -5.279 3.519 1.00 0.00 N ATOM 377 CA GLY C 25 11.090 -4.214 3.770 1.00 0.00 C ATOM 378 C GLY C 25 9.693 -4.512 3.322 1.00 0.00 C ATOM 379 O GLY C 25 9.465 -5.032 2.231 1.00 0.00 O ATOM 0 H GLY C 25 12.961 -4.956 3.178 1.00 0.00 H new ATOM 0 HA2 GLY C 25 11.076 -4.001 4.839 1.00 0.00 H new ATOM 0 HA3 GLY C 25 11.432 -3.308 3.269 1.00 0.00 H new ATOM 383 N LYS C 26 8.754 -4.146 4.161 1.00 0.00 N ATOM 384 CA LYS C 26 7.397 -4.586 3.979 1.00 0.00 C ATOM 385 C LYS C 26 6.400 -3.544 4.449 1.00 0.00 C ATOM 386 O LYS C 26 6.752 -2.636 5.202 1.00 0.00 O ATOM 387 CB LYS C 26 7.252 -5.891 4.732 1.00 0.00 C ATOM 388 CG LYS C 26 7.577 -5.778 6.212 1.00 0.00 C ATOM 389 CD LYS C 26 7.894 -7.140 6.811 1.00 0.00 C ATOM 390 CE LYS C 26 9.144 -7.729 6.189 1.00 0.00 C ATOM 391 NZ LYS C 26 9.684 -8.861 6.983 1.00 0.00 N1+ ATOM 0 H LYS C 26 8.906 -3.547 4.972 1.00 0.00 H new ATOM 0 HA LYS C 26 7.181 -4.734 2.921 1.00 0.00 H new ATOM 0 HB2 LYS C 26 6.231 -6.254 4.619 1.00 0.00 H new ATOM 0 HB3 LYS C 26 7.907 -6.636 4.280 1.00 0.00 H new ATOM 0 HG2 LYS C 26 8.427 -5.110 6.350 1.00 0.00 H new ATOM 0 HG3 LYS C 26 6.733 -5.333 6.739 1.00 0.00 H new ATOM 0 HD2 LYS C 26 8.030 -7.045 7.888 1.00 0.00 H new ATOM 0 HD3 LYS C 26 7.053 -7.815 6.654 1.00 0.00 H new ATOM 0 HE2 LYS C 26 8.919 -8.071 5.179 1.00 0.00 H new ATOM 0 HE3 LYS C 26 9.905 -6.953 6.101 1.00 0.00 H new ATOM 0 HZ1 LYS C 26 10.454 -9.319 6.455 1.00 0.00 H new ATOM 0 HZ2 LYS C 26 10.049 -8.506 7.890 1.00 0.00 H new ATOM 0 HZ3 LYS C 26 8.928 -9.552 7.161 1.00 0.00 H new ATOM 405 N LEU C 27 5.164 -3.683 3.999 1.00 0.00 N ATOM 406 CA LEU C 27 4.139 -2.688 4.252 1.00 0.00 C ATOM 407 C LEU C 27 2.818 -3.382 4.586 1.00 0.00 C ATOM 408 O LEU C 27 2.394 -4.292 3.874 1.00 0.00 O ATOM 409 CB LEU C 27 3.977 -1.810 3.003 1.00 0.00 C ATOM 410 CG LEU C 27 3.812 -0.311 3.254 1.00 0.00 C ATOM 411 CD1 LEU C 27 3.703 0.439 1.938 1.00 0.00 C ATOM 412 CD2 LEU C 27 2.596 -0.044 4.117 1.00 0.00 C ATOM 0 H LEU C 27 4.846 -4.483 3.452 1.00 0.00 H new ATOM 0 HA LEU C 27 4.428 -2.064 5.098 1.00 0.00 H new ATOM 0 HB2 LEU C 27 4.848 -1.958 2.364 1.00 0.00 H new ATOM 0 HB3 LEU C 27 3.109 -2.163 2.445 1.00 0.00 H new ATOM 0 HG LEU C 27 4.694 0.046 3.785 1.00 0.00 H new ATOM 0 HD11 LEU C 27 3.586 1.505 2.135 1.00 0.00 H new ATOM 0 HD12 LEU C 27 4.606 0.276 1.350 1.00 0.00 H new ATOM 0 HD13 LEU C 27 2.838 0.076 1.383 1.00 0.00 H new ATOM 0 HD21 LEU C 27 2.497 1.029 4.284 1.00 0.00 H new ATOM 0 HD22 LEU C 27 1.704 -0.417 3.614 1.00 0.00 H new ATOM 0 HD23 LEU C 27 2.711 -0.551 5.075 1.00 0.00 H new ATOM 424 N SER C 28 2.187 -2.971 5.675 1.00 0.00 N ATOM 425 CA SER C 28 0.907 -3.540 6.078 1.00 0.00 C ATOM 426 C SER C 28 -0.223 -2.549 5.796 1.00 0.00 C ATOM 427 O SER C 28 -0.369 -1.556 6.501 1.00 0.00 O ATOM 428 CB SER C 28 0.930 -3.882 7.570 1.00 0.00 C ATOM 429 OG SER C 28 -0.212 -4.635 7.944 1.00 0.00 O ATOM 0 H SER C 28 2.540 -2.244 6.298 1.00 0.00 H new ATOM 0 HA SER C 28 0.735 -4.451 5.504 1.00 0.00 H new ATOM 0 HB2 SER C 28 1.833 -4.447 7.802 1.00 0.00 H new ATOM 0 HB3 SER C 28 0.970 -2.963 8.155 1.00 0.00 H new ATOM 0 HG SER C 28 -0.169 -4.840 8.901 1.00 0.00 H new ATOM 435 N LEU C 29 -1.015 -2.819 4.765 1.00 0.00 N ATOM 436 CA LEU C 29 -2.089 -1.921 4.352 1.00 0.00 C ATOM 437 C LEU C 29 -3.400 -2.292 5.008 1.00 0.00 C ATOM 438 O LEU C 29 -3.783 -3.463 5.023 1.00 0.00 O ATOM 439 CB LEU C 29 -2.270 -1.970 2.832 1.00 0.00 C ATOM 440 CG LEU C 29 -1.051 -1.593 1.985 1.00 0.00 C ATOM 441 CD1 LEU C 29 -0.421 -0.315 2.487 1.00 0.00 C ATOM 442 CD2 LEU C 29 -0.022 -2.713 1.929 1.00 0.00 C ATOM 0 H LEU C 29 -0.933 -3.661 4.194 1.00 0.00 H new ATOM 0 HA LEU C 29 -1.808 -0.915 4.663 1.00 0.00 H new ATOM 0 HB2 LEU C 29 -2.577 -2.979 2.558 1.00 0.00 H new ATOM 0 HB3 LEU C 29 -3.090 -1.304 2.565 1.00 0.00 H new ATOM 0 HG LEU C 29 -1.407 -1.430 0.968 1.00 0.00 H new ATOM 0 HD11 LEU C 29 0.443 -0.068 1.869 1.00 0.00 H new ATOM 0 HD12 LEU C 29 -1.149 0.495 2.434 1.00 0.00 H new ATOM 0 HD13 LEU C 29 -0.102 -0.448 3.521 1.00 0.00 H new ATOM 0 HD21 LEU C 29 0.824 -2.400 1.317 1.00 0.00 H new ATOM 0 HD22 LEU C 29 0.324 -2.940 2.937 1.00 0.00 H new ATOM 0 HD23 LEU C 29 -0.476 -3.602 1.492 1.00 0.00 H new ATOM 454 N SER C 30 -4.091 -1.303 5.565 1.00 0.00 N ATOM 455 CA SER C 30 -5.427 -1.538 6.060 1.00 0.00 C ATOM 456 C SER C 30 -6.303 -0.298 5.866 1.00 0.00 C ATOM 457 O SER C 30 -5.913 0.808 6.243 1.00 0.00 O ATOM 458 CB SER C 30 -5.372 -1.947 7.533 1.00 0.00 C ATOM 459 OG SER C 30 -4.485 -3.041 7.719 1.00 0.00 O ATOM 0 H SER C 30 -3.749 -0.349 5.680 1.00 0.00 H new ATOM 0 HA SER C 30 -5.876 -2.352 5.491 1.00 0.00 H new ATOM 0 HB2 SER C 30 -5.046 -1.101 8.138 1.00 0.00 H new ATOM 0 HB3 SER C 30 -6.370 -2.219 7.877 1.00 0.00 H new ATOM 0 HG SER C 30 -4.463 -3.286 8.668 1.00 0.00 H new ATOM 465 N MET C 31 -7.485 -0.490 5.278 1.00 0.00 N ATOM 466 CA MET C 31 -8.364 0.625 4.921 1.00 0.00 C ATOM 467 C MET C 31 -9.779 0.397 5.445 1.00 0.00 C ATOM 468 O MET C 31 -10.348 -0.674 5.247 1.00 0.00 O ATOM 469 CB MET C 31 -8.414 0.793 3.396 1.00 0.00 C ATOM 470 CG MET C 31 -7.049 0.976 2.750 1.00 0.00 C ATOM 471 SD MET C 31 -7.139 1.305 0.979 1.00 0.00 S ATOM 472 CE MET C 31 -7.880 -0.211 0.381 1.00 0.00 C ATOM 0 H MET C 31 -7.856 -1.409 5.038 1.00 0.00 H new ATOM 0 HA MET C 31 -7.959 1.528 5.379 1.00 0.00 H new ATOM 0 HB2 MET C 31 -8.897 -0.081 2.960 1.00 0.00 H new ATOM 0 HB3 MET C 31 -9.037 1.654 3.156 1.00 0.00 H new ATOM 0 HG2 MET C 31 -6.530 1.800 3.240 1.00 0.00 H new ATOM 0 HG3 MET C 31 -6.452 0.079 2.916 1.00 0.00 H new ATOM 0 HE1 MET C 31 -7.336 -0.560 -0.496 1.00 0.00 H new ATOM 0 HE2 MET C 31 -7.836 -0.970 1.162 1.00 0.00 H new ATOM 0 HE3 MET C 31 -8.920 -0.026 0.113 1.00 0.00 H new ATOM 482 N ASN C 32 -10.327 1.390 6.141 1.00 0.00 N ATOM 483 CA ASN C 32 -11.712 1.325 6.611 1.00 0.00 C ATOM 484 C ASN C 32 -12.325 2.723 6.719 1.00 0.00 C ATOM 485 O ASN C 32 -11.983 3.485 7.621 1.00 0.00 O ATOM 486 CB ASN C 32 -11.789 0.623 7.970 1.00 0.00 C ATOM 487 CG ASN C 32 -13.201 0.570 8.536 1.00 0.00 C ATOM 488 OD1 ASN C 32 -13.396 0.708 9.744 1.00 0.00 O ATOM 489 ND2 ASN C 32 -14.191 0.338 7.686 1.00 0.00 N ATOM 0 H ASN C 32 -9.836 2.248 6.393 1.00 0.00 H new ATOM 0 HA ASN C 32 -12.281 0.751 5.879 1.00 0.00 H new ATOM 0 HB2 ASN C 32 -11.406 -0.393 7.870 1.00 0.00 H new ATOM 0 HB3 ASN C 32 -11.140 1.140 8.677 1.00 0.00 H new ATOM 0 HD21 ASN C 32 -15.150 0.269 8.027 1.00 0.00 H new ATOM 0 HD22 ASN C 32 -13.994 0.229 6.691 1.00 0.00 H new ATOM 496 N GLY C 33 -13.221 3.056 5.802 1.00 0.00 N ATOM 497 CA GLY C 33 -13.941 4.321 5.872 1.00 0.00 C ATOM 498 C GLY C 33 -13.036 5.542 5.764 1.00 0.00 C ATOM 499 O GLY C 33 -12.692 5.966 4.660 1.00 0.00 O ATOM 0 H GLY C 33 -13.467 2.471 5.003 1.00 0.00 H new ATOM 0 HA2 GLY C 33 -14.680 4.354 5.071 1.00 0.00 H new ATOM 0 HA3 GLY C 33 -14.489 4.367 6.813 1.00 0.00 H new ATOM 503 N ASN C 34 -12.667 6.126 6.904 1.00 0.00 N ATOM 504 CA ASN C 34 -11.807 7.306 6.919 1.00 0.00 C ATOM 505 C ASN C 34 -10.532 7.027 7.721 1.00 0.00 C ATOM 506 O ASN C 34 -9.958 7.926 8.334 1.00 0.00 O ATOM 507 CB ASN C 34 -12.551 8.503 7.522 1.00 0.00 C ATOM 508 CG ASN C 34 -11.984 9.852 7.090 1.00 0.00 C ATOM 509 OD1 ASN C 34 -10.708 9.897 6.731 1.00 0.00 O flip ATOM 510 ND2 ASN C 34 -12.700 10.851 7.068 1.00 0.00 N flip ATOM 0 H ASN C 34 -12.951 5.800 7.828 1.00 0.00 H new ATOM 0 HA ASN C 34 -11.533 7.543 5.891 1.00 0.00 H new ATOM 0 HB2 ASN C 34 -13.601 8.450 7.235 1.00 0.00 H new ATOM 0 HB3 ASN C 34 -12.514 8.434 8.609 1.00 0.00 H new ATOM 0 HD21 ASN C 34 -13.678 10.784 7.350 1.00 0.00 H new ATOM 0 HD22 ASN C 34 -12.316 11.747 6.767 1.00 0.00 H new ATOM 517 N GLN C 35 -10.090 5.782 7.728 1.00 0.00 N ATOM 518 CA GLN C 35 -8.904 5.418 8.491 1.00 0.00 C ATOM 519 C GLN C 35 -7.877 4.701 7.622 1.00 0.00 C ATOM 520 O GLN C 35 -8.197 3.751 6.902 1.00 0.00 O ATOM 521 CB GLN C 35 -9.275 4.533 9.686 1.00 0.00 C ATOM 522 CG GLN C 35 -9.618 3.101 9.313 1.00 0.00 C ATOM 523 CD GLN C 35 -10.035 2.276 10.516 1.00 0.00 C ATOM 524 OE1 GLN C 35 -9.767 0.982 10.472 1.00 0.00 O flip ATOM 525 NE2 GLN C 35 -10.596 2.799 11.476 1.00 0.00 N flip ATOM 0 H GLN C 35 -10.527 5.012 7.221 1.00 0.00 H new ATOM 0 HA GLN C 35 -8.460 6.344 8.856 1.00 0.00 H new ATOM 0 HB2 GLN C 35 -8.443 4.525 10.390 1.00 0.00 H new ATOM 0 HB3 GLN C 35 -10.126 4.977 10.203 1.00 0.00 H new ATOM 0 HG2 GLN C 35 -10.424 3.102 8.579 1.00 0.00 H new ATOM 0 HG3 GLN C 35 -8.755 2.635 8.837 1.00 0.00 H new ATOM 0 HE21 GLN C 35 -10.785 3.801 11.472 1.00 0.00 H new ATOM 0 HE22 GLN C 35 -10.872 2.231 12.277 1.00 0.00 H new ATOM 534 N LEU C 36 -6.647 5.171 7.681 1.00 0.00 N ATOM 535 CA LEU C 36 -5.541 4.477 7.051 1.00 0.00 C ATOM 536 C LEU C 36 -4.418 4.351 8.050 1.00 0.00 C ATOM 537 O LEU C 36 -3.989 5.341 8.650 1.00 0.00 O ATOM 538 CB LEU C 36 -5.044 5.212 5.793 1.00 0.00 C ATOM 539 CG LEU C 36 -4.179 4.391 4.812 1.00 0.00 C ATOM 540 CD1 LEU C 36 -2.851 3.974 5.427 1.00 0.00 C ATOM 541 CD2 LEU C 36 -4.936 3.168 4.335 1.00 0.00 C ATOM 0 H LEU C 36 -6.387 6.033 8.160 1.00 0.00 H new ATOM 0 HA LEU C 36 -5.885 3.492 6.735 1.00 0.00 H new ATOM 0 HB2 LEU C 36 -5.913 5.586 5.251 1.00 0.00 H new ATOM 0 HB3 LEU C 36 -4.468 6.081 6.111 1.00 0.00 H new ATOM 0 HG LEU C 36 -3.959 5.036 3.961 1.00 0.00 H new ATOM 0 HD11 LEU C 36 -2.278 3.399 4.700 1.00 0.00 H new ATOM 0 HD12 LEU C 36 -2.288 4.862 5.713 1.00 0.00 H new ATOM 0 HD13 LEU C 36 -3.035 3.361 6.310 1.00 0.00 H new ATOM 0 HD21 LEU C 36 -4.312 2.600 3.644 1.00 0.00 H new ATOM 0 HD22 LEU C 36 -5.193 2.543 5.190 1.00 0.00 H new ATOM 0 HD23 LEU C 36 -5.848 3.480 3.827 1.00 0.00 H new ATOM 553 N LYS C 37 -3.949 3.142 8.233 1.00 0.00 N ATOM 554 CA LYS C 37 -2.781 2.917 9.041 1.00 0.00 C ATOM 555 C LYS C 37 -1.996 1.788 8.417 1.00 0.00 C ATOM 556 O LYS C 37 -2.547 0.735 8.089 1.00 0.00 O ATOM 557 CB LYS C 37 -3.124 2.625 10.515 1.00 0.00 C ATOM 558 CG LYS C 37 -4.048 1.432 10.765 1.00 0.00 C ATOM 559 CD LYS C 37 -5.505 1.757 10.468 1.00 0.00 C ATOM 560 CE LYS C 37 -6.450 0.835 11.226 1.00 0.00 C ATOM 561 NZ LYS C 37 -6.233 -0.601 10.903 1.00 0.00 N1+ ATOM 0 H LYS C 37 -4.360 2.299 7.832 1.00 0.00 H new ATOM 0 HA LYS C 37 -2.181 3.827 9.063 1.00 0.00 H new ATOM 0 HB2 LYS C 37 -2.194 2.458 11.058 1.00 0.00 H new ATOM 0 HB3 LYS C 37 -3.588 3.514 10.942 1.00 0.00 H new ATOM 0 HG2 LYS C 37 -3.731 0.594 10.144 1.00 0.00 H new ATOM 0 HG3 LYS C 37 -3.954 1.113 11.803 1.00 0.00 H new ATOM 0 HD2 LYS C 37 -5.710 2.792 10.740 1.00 0.00 H new ATOM 0 HD3 LYS C 37 -5.688 1.666 9.397 1.00 0.00 H new ATOM 0 HE2 LYS C 37 -6.317 0.986 12.297 1.00 0.00 H new ATOM 0 HE3 LYS C 37 -7.480 1.104 10.991 1.00 0.00 H new ATOM 0 HZ1 LYS C 37 -6.945 -1.179 11.393 1.00 0.00 H new ATOM 0 HZ2 LYS C 37 -6.319 -0.743 9.876 1.00 0.00 H new ATOM 0 HZ3 LYS C 37 -5.282 -0.887 11.213 1.00 0.00 H new ATOM 575 N ALA C 38 -0.727 2.035 8.216 1.00 0.00 N ATOM 576 CA ALA C 38 0.119 1.123 7.485 1.00 0.00 C ATOM 577 C ALA C 38 1.509 1.146 8.064 1.00 0.00 C ATOM 578 O ALA C 38 2.172 2.184 8.073 1.00 0.00 O ATOM 579 CB ALA C 38 0.143 1.499 6.010 1.00 0.00 C ATOM 0 H ALA C 38 -0.251 2.872 8.553 1.00 0.00 H new ATOM 0 HA ALA C 38 -0.279 0.112 7.573 1.00 0.00 H new ATOM 0 HB1 ALA C 38 0.784 0.804 5.468 1.00 0.00 H new ATOM 0 HB2 ALA C 38 -0.868 1.450 5.606 1.00 0.00 H new ATOM 0 HB3 ALA C 38 0.530 2.512 5.899 1.00 0.00 H new ATOM 585 N THR C 39 1.938 0.006 8.550 1.00 0.00 N ATOM 586 CA THR C 39 3.224 -0.100 9.195 1.00 0.00 C ATOM 587 C THR C 39 4.236 -0.745 8.270 1.00 0.00 C ATOM 588 O THR C 39 3.879 -1.523 7.381 1.00 0.00 O ATOM 589 CB THR C 39 3.121 -0.919 10.492 1.00 0.00 C ATOM 590 OG1 THR C 39 2.552 -2.200 10.203 1.00 0.00 O ATOM 591 CG2 THR C 39 2.268 -0.199 11.526 1.00 0.00 C ATOM 0 H THR C 39 1.411 -0.866 8.510 1.00 0.00 H new ATOM 0 HA THR C 39 3.555 0.909 9.439 1.00 0.00 H new ATOM 0 HB THR C 39 4.123 -1.044 10.903 1.00 0.00 H new ATOM 0 HG1 THR C 39 2.488 -2.723 11.029 1.00 0.00 H new ATOM 0 HG21 THR C 39 2.212 -0.800 12.434 1.00 0.00 H new ATOM 0 HG22 THR C 39 2.716 0.767 11.758 1.00 0.00 H new ATOM 0 HG23 THR C 39 1.265 -0.048 11.128 1.00 0.00 H new ATOM 599 N SER C 40 5.488 -0.401 8.468 1.00 0.00 N ATOM 600 CA SER C 40 6.569 -1.018 7.740 1.00 0.00 C ATOM 601 C SER C 40 7.470 -1.739 8.716 1.00 0.00 C ATOM 602 O SER C 40 8.053 -1.128 9.613 1.00 0.00 O ATOM 603 CB SER C 40 7.355 0.034 6.973 1.00 0.00 C ATOM 604 OG SER C 40 8.401 -0.554 6.225 1.00 0.00 O ATOM 0 H SER C 40 5.783 0.311 9.136 1.00 0.00 H new ATOM 0 HA SER C 40 6.165 -1.732 7.022 1.00 0.00 H new ATOM 0 HB2 SER C 40 6.686 0.576 6.304 1.00 0.00 H new ATOM 0 HB3 SER C 40 7.768 0.763 7.670 1.00 0.00 H new ATOM 0 HG SER C 40 8.066 -1.352 5.765 1.00 0.00 H new ATOM 610 N SER C 41 7.571 -3.037 8.556 1.00 0.00 N ATOM 611 CA SER C 41 8.415 -3.819 9.419 1.00 0.00 C ATOM 612 C SER C 41 9.761 -4.043 8.742 1.00 0.00 C ATOM 613 O SER C 41 9.956 -3.615 7.596 1.00 0.00 O ATOM 614 CB SER C 41 7.722 -5.134 9.790 1.00 0.00 C ATOM 615 OG SER C 41 8.479 -5.884 10.728 1.00 0.00 O ATOM 0 H SER C 41 7.080 -3.570 7.838 1.00 0.00 H new ATOM 0 HA SER C 41 8.596 -3.283 10.351 1.00 0.00 H new ATOM 0 HB2 SER C 41 6.737 -4.921 10.206 1.00 0.00 H new ATOM 0 HB3 SER C 41 7.566 -5.729 8.890 1.00 0.00 H new ATOM 0 HG SER C 41 8.005 -6.715 10.942 1.00 0.00 H new ATOM 621 N ASN C 42 10.661 -4.724 9.453 1.00 0.00 N ATOM 622 CA ASN C 42 12.076 -4.822 9.091 1.00 0.00 C ATOM 623 C ASN C 42 12.777 -3.522 9.459 1.00 0.00 C ATOM 624 O ASN C 42 13.701 -3.085 8.782 1.00 0.00 O ATOM 625 CB ASN C 42 12.293 -5.149 7.604 1.00 0.00 C ATOM 626 CG ASN C 42 13.273 -6.290 7.393 1.00 0.00 C ATOM 627 OD1 ASN C 42 14.058 -6.285 6.442 1.00 0.00 O ATOM 628 ND2 ASN C 42 13.213 -7.293 8.256 1.00 0.00 N ATOM 0 H ASN C 42 10.425 -5.229 10.307 1.00 0.00 H new ATOM 0 HA ASN C 42 12.504 -5.653 9.652 1.00 0.00 H new ATOM 0 HB2 ASN C 42 11.337 -5.408 7.150 1.00 0.00 H new ATOM 0 HB3 ASN C 42 12.660 -4.260 7.090 1.00 0.00 H new ATOM 0 HD21 ASN C 42 13.830 -8.098 8.146 1.00 0.00 H new ATOM 0 HD22 ASN C 42 12.550 -7.261 9.030 1.00 0.00 H new ATOM 635 N ALA C 43 12.288 -2.901 10.535 1.00 0.00 N ATOM 636 CA ALA C 43 12.882 -1.689 11.098 1.00 0.00 C ATOM 637 C ALA C 43 12.891 -0.532 10.099 1.00 0.00 C ATOM 638 O ALA C 43 13.786 0.315 10.120 1.00 0.00 O ATOM 639 CB ALA C 43 14.290 -1.972 11.602 1.00 0.00 C ATOM 0 H ALA C 43 11.465 -3.227 11.042 1.00 0.00 H new ATOM 0 HA ALA C 43 12.259 -1.383 11.938 1.00 0.00 H new ATOM 0 HB1 ALA C 43 14.718 -1.060 12.018 1.00 0.00 H new ATOM 0 HB2 ALA C 43 14.252 -2.740 12.374 1.00 0.00 H new ATOM 0 HB3 ALA C 43 14.910 -2.319 10.775 1.00 0.00 H new ATOM 645 N GLY C 44 11.891 -0.497 9.225 1.00 0.00 N ATOM 646 CA GLY C 44 11.783 0.586 8.266 1.00 0.00 C ATOM 647 C GLY C 44 12.793 0.477 7.143 1.00 0.00 C ATOM 648 O GLY C 44 13.039 1.452 6.429 1.00 0.00 O ATOM 0 H GLY C 44 11.154 -1.199 9.164 1.00 0.00 H new ATOM 0 HA2 GLY C 44 10.778 0.594 7.845 1.00 0.00 H new ATOM 0 HA3 GLY C 44 11.920 1.537 8.781 1.00 0.00 H new ATOM 652 N TYR C 45 13.393 -0.699 6.992 1.00 0.00 N ATOM 653 CA TYR C 45 14.323 -0.940 5.899 1.00 0.00 C ATOM 654 C TYR C 45 13.591 -0.980 4.569 1.00 0.00 C ATOM 655 O TYR C 45 12.360 -1.025 4.520 1.00 0.00 O ATOM 656 CB TYR C 45 15.092 -2.248 6.097 1.00 0.00 C ATOM 657 CG TYR C 45 16.315 -2.113 6.985 1.00 0.00 C ATOM 658 CD1 TYR C 45 17.192 -1.047 6.820 1.00 0.00 C ATOM 659 CD2 TYR C 45 16.606 -3.052 7.973 1.00 0.00 C ATOM 660 CE1 TYR C 45 18.314 -0.918 7.610 1.00 0.00 C ATOM 661 CE2 TYR C 45 17.729 -2.924 8.767 1.00 0.00 C ATOM 662 CZ TYR C 45 18.578 -1.855 8.581 1.00 0.00 C ATOM 663 OH TYR C 45 19.700 -1.727 9.367 1.00 0.00 O ATOM 0 H TYR C 45 13.251 -1.497 7.612 1.00 0.00 H new ATOM 0 HA TYR C 45 15.036 -0.115 5.894 1.00 0.00 H new ATOM 0 HB2 TYR C 45 14.421 -2.991 6.529 1.00 0.00 H new ATOM 0 HB3 TYR C 45 15.402 -2.627 5.123 1.00 0.00 H new ATOM 0 HD1 TYR C 45 16.991 -0.307 6.060 1.00 0.00 H new ATOM 0 HD2 TYR C 45 15.944 -3.892 8.120 1.00 0.00 H new ATOM 0 HE1 TYR C 45 18.984 -0.083 7.467 1.00 0.00 H new ATOM 0 HE2 TYR C 45 17.941 -3.658 9.530 1.00 0.00 H new ATOM 0 HH TYR C 45 19.740 -2.470 10.004 1.00 0.00 H new ATOM 673 N GLY C 46 14.361 -0.962 3.498 1.00 0.00 N ATOM 674 CA GLY C 46 13.788 -0.997 2.180 1.00 0.00 C ATOM 675 C GLY C 46 13.643 -2.406 1.656 1.00 0.00 C ATOM 676 O GLY C 46 13.932 -3.378 2.359 1.00 0.00 O ATOM 0 H GLY C 46 15.380 -0.923 3.521 1.00 0.00 H new ATOM 0 HA2 GLY C 46 12.810 -0.516 2.198 1.00 0.00 H new ATOM 0 HA3 GLY C 46 14.414 -0.421 1.499 1.00 0.00 H new ATOM 680 N ILE C 47 13.208 -2.506 0.418 1.00 0.00 N ATOM 681 CA ILE C 47 12.951 -3.787 -0.222 1.00 0.00 C ATOM 682 C ILE C 47 14.205 -4.594 -0.385 1.00 0.00 C ATOM 683 O ILE C 47 14.308 -5.706 0.115 1.00 0.00 O ATOM 684 CB ILE C 47 12.388 -3.592 -1.620 1.00 0.00 C ATOM 685 CG1 ILE C 47 11.105 -2.771 -1.562 1.00 0.00 C ATOM 686 CG2 ILE C 47 12.166 -4.925 -2.321 1.00 0.00 C ATOM 687 CD1 ILE C 47 10.151 -3.175 -0.455 1.00 0.00 C ATOM 0 H ILE C 47 13.021 -1.700 -0.179 1.00 0.00 H new ATOM 0 HA ILE C 47 12.244 -4.305 0.426 1.00 0.00 H new ATOM 0 HB ILE C 47 13.120 -3.040 -2.210 1.00 0.00 H new ATOM 0 HG12 ILE C 47 11.366 -1.720 -1.434 1.00 0.00 H new ATOM 0 HG13 ILE C 47 10.589 -2.857 -2.518 1.00 0.00 H new ATOM 0 HG21 ILE C 47 11.763 -4.749 -3.318 1.00 0.00 H new ATOM 0 HG22 ILE C 47 13.114 -5.456 -2.402 1.00 0.00 H new ATOM 0 HG23 ILE C 47 11.462 -5.526 -1.746 1.00 0.00 H new ATOM 0 HD11 ILE C 47 9.266 -2.540 -0.487 1.00 0.00 H new ATOM 0 HD12 ILE C 47 9.856 -4.215 -0.591 1.00 0.00 H new ATOM 0 HD13 ILE C 47 10.644 -3.061 0.510 1.00 0.00 H new ATOM 699 N SER C 48 15.134 -4.052 -1.141 1.00 0.00 N ATOM 700 CA SER C 48 16.326 -4.778 -1.458 1.00 0.00 C ATOM 701 C SER C 48 17.353 -3.875 -2.133 1.00 0.00 C ATOM 702 O SER C 48 18.262 -3.357 -1.480 1.00 0.00 O ATOM 703 CB SER C 48 15.988 -5.982 -2.348 1.00 0.00 C ATOM 704 OG SER C 48 17.100 -6.846 -2.493 1.00 0.00 O ATOM 0 H SER C 48 15.080 -3.116 -1.542 1.00 0.00 H new ATOM 0 HA SER C 48 16.766 -5.143 -0.530 1.00 0.00 H new ATOM 0 HB2 SER C 48 15.152 -6.532 -1.916 1.00 0.00 H new ATOM 0 HB3 SER C 48 15.667 -5.632 -3.329 1.00 0.00 H new ATOM 0 HG SER C 48 16.853 -7.604 -3.063 1.00 0.00 H new ATOM 710 N TYR C 49 17.185 -3.661 -3.432 1.00 0.00 N ATOM 711 CA TYR C 49 18.160 -2.914 -4.210 1.00 0.00 C ATOM 712 C TYR C 49 17.528 -2.336 -5.468 1.00 0.00 C ATOM 713 O TYR C 49 17.730 -1.170 -5.797 1.00 0.00 O ATOM 714 CB TYR C 49 19.334 -3.829 -4.579 1.00 0.00 C ATOM 715 CG TYR C 49 20.364 -3.187 -5.508 1.00 0.00 C ATOM 716 CD1 TYR C 49 21.457 -2.497 -4.988 1.00 0.00 C ATOM 717 CD2 TYR C 49 20.248 -3.262 -6.903 1.00 0.00 C ATOM 718 CE1 TYR C 49 22.393 -1.909 -5.816 1.00 0.00 C ATOM 719 CE2 TYR C 49 21.186 -2.674 -7.729 1.00 0.00 C ATOM 720 CZ TYR C 49 22.252 -2.001 -7.183 1.00 0.00 C ATOM 721 OH TYR C 49 23.182 -1.414 -8.011 1.00 0.00 O ATOM 0 H TYR C 49 16.383 -3.995 -3.967 1.00 0.00 H new ATOM 0 HA TYR C 49 18.524 -2.084 -3.605 1.00 0.00 H new ATOM 0 HB2 TYR C 49 19.835 -4.145 -3.664 1.00 0.00 H new ATOM 0 HB3 TYR C 49 18.943 -4.728 -5.055 1.00 0.00 H new ATOM 0 HD1 TYR C 49 21.575 -2.420 -3.917 1.00 0.00 H new ATOM 0 HD2 TYR C 49 19.412 -3.788 -7.339 1.00 0.00 H new ATOM 0 HE1 TYR C 49 23.233 -1.379 -5.393 1.00 0.00 H new ATOM 0 HE2 TYR C 49 21.082 -2.743 -8.802 1.00 0.00 H new ATOM 0 HH TYR C 49 22.935 -1.574 -8.946 1.00 0.00 H new ATOM 731 N GLU C 50 16.762 -3.154 -6.167 1.00 0.00 N ATOM 732 CA GLU C 50 16.183 -2.747 -7.439 1.00 0.00 C ATOM 733 C GLU C 50 14.985 -1.833 -7.227 1.00 0.00 C ATOM 734 O GLU C 50 14.287 -1.925 -6.213 1.00 0.00 O ATOM 735 CB GLU C 50 15.767 -3.979 -8.231 1.00 0.00 C ATOM 736 CG GLU C 50 16.871 -5.012 -8.351 1.00 0.00 C ATOM 737 CD GLU C 50 16.378 -6.310 -8.939 1.00 0.00 C ATOM 738 OE1 GLU C 50 15.695 -7.066 -8.217 1.00 0.00 O ATOM 739 OE2 GLU C 50 16.672 -6.586 -10.119 1.00 0.00 O1- ATOM 0 H GLU C 50 16.525 -4.103 -5.878 1.00 0.00 H new ATOM 0 HA GLU C 50 16.936 -2.192 -7.999 1.00 0.00 H new ATOM 0 HB2 GLU C 50 14.901 -4.436 -7.752 1.00 0.00 H new ATOM 0 HB3 GLU C 50 15.454 -3.673 -9.229 1.00 0.00 H new ATOM 0 HG2 GLU C 50 17.672 -4.614 -8.974 1.00 0.00 H new ATOM 0 HG3 GLU C 50 17.298 -5.201 -7.366 1.00 0.00 H new ATOM 746 N ASP C 51 14.754 -0.954 -8.186 1.00 0.00 N ATOM 747 CA ASP C 51 13.646 -0.016 -8.116 1.00 0.00 C ATOM 748 C ASP C 51 12.460 -0.533 -8.918 1.00 0.00 C ATOM 749 O ASP C 51 12.594 -0.905 -10.084 1.00 0.00 O ATOM 750 CB ASP C 51 14.071 1.372 -8.618 1.00 0.00 C ATOM 751 CG ASP C 51 14.565 1.368 -10.053 1.00 0.00 C ATOM 752 OD1 ASP C 51 13.876 1.935 -10.928 1.00 0.00 O ATOM 753 OD2 ASP C 51 15.652 0.803 -10.312 1.00 0.00 O1- ATOM 0 H ASP C 51 15.323 -0.870 -9.028 1.00 0.00 H new ATOM 0 HA ASP C 51 13.345 0.078 -7.073 1.00 0.00 H new ATOM 0 HB2 ASP C 51 13.226 2.055 -8.534 1.00 0.00 H new ATOM 0 HB3 ASP C 51 14.859 1.759 -7.971 1.00 0.00 H new ATOM 758 N LYS C 52 11.309 -0.595 -8.269 1.00 0.00 N ATOM 759 CA LYS C 52 10.080 -1.029 -8.918 1.00 0.00 C ATOM 760 C LYS C 52 9.136 0.152 -9.035 1.00 0.00 C ATOM 761 O LYS C 52 9.242 1.112 -8.266 1.00 0.00 O ATOM 762 CB LYS C 52 9.363 -2.129 -8.123 1.00 0.00 C ATOM 763 CG LYS C 52 10.133 -3.427 -7.920 1.00 0.00 C ATOM 764 CD LYS C 52 11.349 -3.261 -7.020 1.00 0.00 C ATOM 765 CE LYS C 52 11.963 -4.602 -6.649 1.00 0.00 C ATOM 766 NZ LYS C 52 12.344 -5.397 -7.848 1.00 0.00 N1+ ATOM 0 H LYS C 52 11.199 -0.348 -7.285 1.00 0.00 H new ATOM 0 HA LYS C 52 10.351 -1.426 -9.896 1.00 0.00 H new ATOM 0 HB2 LYS C 52 9.103 -1.729 -7.143 1.00 0.00 H new ATOM 0 HB3 LYS C 52 8.427 -2.362 -8.630 1.00 0.00 H new ATOM 0 HG2 LYS C 52 9.467 -4.174 -7.488 1.00 0.00 H new ATOM 0 HG3 LYS C 52 10.454 -3.808 -8.889 1.00 0.00 H new ATOM 0 HD2 LYS C 52 12.094 -2.647 -7.525 1.00 0.00 H new ATOM 0 HD3 LYS C 52 11.060 -2.730 -6.113 1.00 0.00 H new ATOM 0 HE2 LYS C 52 12.845 -4.437 -6.029 1.00 0.00 H new ATOM 0 HE3 LYS C 52 11.253 -5.171 -6.048 1.00 0.00 H new ATOM 0 HZ1 LYS C 52 12.922 -6.211 -7.556 1.00 0.00 H new ATOM 0 HZ2 LYS C 52 11.485 -5.736 -8.327 1.00 0.00 H new ATOM 0 HZ3 LYS C 52 12.891 -4.800 -8.501 1.00 0.00 H new ATOM 780 N ASN C 53 8.208 0.076 -9.971 1.00 0.00 N ATOM 781 CA ASN C 53 7.231 1.140 -10.148 1.00 0.00 C ATOM 782 C ASN C 53 5.940 0.815 -9.419 1.00 0.00 C ATOM 783 O ASN C 53 5.225 -0.125 -9.764 1.00 0.00 O ATOM 784 CB ASN C 53 6.972 1.432 -11.632 1.00 0.00 C ATOM 785 CG ASN C 53 7.016 0.196 -12.506 1.00 0.00 C ATOM 786 OD1 ASN C 53 5.878 -0.447 -12.682 1.00 0.00 O flip ATOM 787 ND2 ASN C 53 8.070 -0.174 -13.024 1.00 0.00 N flip ATOM 0 H ASN C 53 8.108 -0.706 -10.618 1.00 0.00 H new ATOM 0 HA ASN C 53 7.649 2.046 -9.710 1.00 0.00 H new ATOM 0 HB2 ASN C 53 5.996 1.907 -11.736 1.00 0.00 H new ATOM 0 HB3 ASN C 53 7.714 2.147 -11.989 1.00 0.00 H new ATOM 0 HD21 ASN C 53 8.929 0.351 -12.863 1.00 0.00 H new ATOM 0 HD22 ASN C 53 8.084 -1.006 -13.614 1.00 0.00 H new ATOM 794 N TRP C 54 5.668 1.599 -8.390 1.00 0.00 N ATOM 795 CA TRP C 54 4.544 1.373 -7.506 1.00 0.00 C ATOM 796 C TRP C 54 3.389 2.327 -7.782 1.00 0.00 C ATOM 797 O TRP C 54 3.569 3.322 -8.475 1.00 0.00 O ATOM 798 CB TRP C 54 5.012 1.562 -6.086 1.00 0.00 C ATOM 799 CG TRP C 54 4.755 0.375 -5.261 1.00 0.00 C ATOM 800 CD1 TRP C 54 5.580 -0.674 -5.034 1.00 0.00 C ATOM 801 CD2 TRP C 54 3.559 0.117 -4.582 1.00 0.00 C ATOM 802 NE1 TRP C 54 4.950 -1.588 -4.220 1.00 0.00 N ATOM 803 CE2 TRP C 54 3.694 -1.110 -3.929 1.00 0.00 C ATOM 804 CE3 TRP C 54 2.382 0.833 -4.464 1.00 0.00 C ATOM 805 CZ2 TRP C 54 2.670 -1.641 -3.161 1.00 0.00 C ATOM 806 CZ3 TRP C 54 1.374 0.319 -3.717 1.00 0.00 C ATOM 807 CH2 TRP C 54 1.516 -0.912 -3.069 1.00 0.00 C ATOM 0 H TRP C 54 6.227 2.416 -8.145 1.00 0.00 H new ATOM 0 HA TRP C 54 4.177 0.360 -7.674 1.00 0.00 H new ATOM 0 HB2 TRP C 54 6.079 1.782 -6.082 1.00 0.00 H new ATOM 0 HB3 TRP C 54 4.507 2.424 -5.649 1.00 0.00 H new ATOM 0 HD1 TRP C 54 6.579 -0.778 -5.431 1.00 0.00 H new ATOM 0 HE1 TRP C 54 5.346 -2.468 -3.890 1.00 0.00 H new ATOM 0 HE3 TRP C 54 2.267 1.786 -4.959 1.00 0.00 H new ATOM 0 HZ2 TRP C 54 2.778 -2.590 -2.657 1.00 0.00 H new ATOM 0 HZ3 TRP C 54 0.449 0.868 -3.621 1.00 0.00 H new ATOM 0 HH2 TRP C 54 0.695 -1.296 -2.482 1.00 0.00 H new ATOM 818 N GLY C 55 2.204 2.044 -7.227 1.00 0.00 N ATOM 819 CA GLY C 55 1.080 2.907 -7.486 1.00 0.00 C ATOM 820 C GLY C 55 -0.071 2.804 -6.505 1.00 0.00 C ATOM 821 O GLY C 55 -0.320 1.765 -5.903 1.00 0.00 O ATOM 0 H GLY C 55 2.016 1.248 -6.618 1.00 0.00 H new ATOM 0 HA2 GLY C 55 1.433 3.938 -7.496 1.00 0.00 H new ATOM 0 HA3 GLY C 55 0.702 2.690 -8.485 1.00 0.00 H new ATOM 825 N ILE C 56 -0.774 3.911 -6.352 1.00 0.00 N ATOM 826 CA ILE C 56 -2.038 3.936 -5.625 1.00 0.00 C ATOM 827 C ILE C 56 -3.140 4.513 -6.513 1.00 0.00 C ATOM 828 O ILE C 56 -2.919 5.508 -7.213 1.00 0.00 O ATOM 829 CB ILE C 56 -1.929 4.773 -4.332 1.00 0.00 C ATOM 830 CG1 ILE C 56 -0.811 4.219 -3.454 1.00 0.00 C ATOM 831 CG2 ILE C 56 -3.252 4.774 -3.576 1.00 0.00 C ATOM 832 CD1 ILE C 56 -0.657 4.935 -2.128 1.00 0.00 C ATOM 0 H ILE C 56 -0.490 4.817 -6.725 1.00 0.00 H new ATOM 0 HA ILE C 56 -2.284 2.910 -5.350 1.00 0.00 H new ATOM 0 HB ILE C 56 -1.694 5.803 -4.599 1.00 0.00 H new ATOM 0 HG12 ILE C 56 -1.001 3.163 -3.265 1.00 0.00 H new ATOM 0 HG13 ILE C 56 0.130 4.281 -4.000 1.00 0.00 H new ATOM 0 HG21 ILE C 56 -3.152 5.370 -2.669 1.00 0.00 H new ATOM 0 HG22 ILE C 56 -4.031 5.202 -4.207 1.00 0.00 H new ATOM 0 HG23 ILE C 56 -3.520 3.751 -3.311 1.00 0.00 H new ATOM 0 HD11 ILE C 56 0.158 4.482 -1.563 1.00 0.00 H new ATOM 0 HD12 ILE C 56 -0.434 5.987 -2.306 1.00 0.00 H new ATOM 0 HD13 ILE C 56 -1.583 4.851 -1.560 1.00 0.00 H new ATOM 844 N PHE C 57 -4.312 3.881 -6.504 1.00 0.00 N ATOM 845 CA PHE C 57 -5.454 4.370 -7.279 1.00 0.00 C ATOM 846 C PHE C 57 -6.705 4.425 -6.408 1.00 0.00 C ATOM 847 O PHE C 57 -7.008 3.472 -5.696 1.00 0.00 O ATOM 848 CB PHE C 57 -5.778 3.457 -8.476 1.00 0.00 C ATOM 849 CG PHE C 57 -4.609 3.009 -9.311 1.00 0.00 C ATOM 850 CD1 PHE C 57 -3.705 2.075 -8.830 1.00 0.00 C ATOM 851 CD2 PHE C 57 -4.441 3.494 -10.598 1.00 0.00 C ATOM 852 CE1 PHE C 57 -2.656 1.637 -9.610 1.00 0.00 C ATOM 853 CE2 PHE C 57 -3.390 3.062 -11.382 1.00 0.00 C ATOM 854 CZ PHE C 57 -2.497 2.132 -10.887 1.00 0.00 C ATOM 0 H PHE C 57 -4.497 3.031 -5.971 1.00 0.00 H new ATOM 0 HA PHE C 57 -5.175 5.361 -7.638 1.00 0.00 H new ATOM 0 HB2 PHE C 57 -6.290 2.571 -8.101 1.00 0.00 H new ATOM 0 HB3 PHE C 57 -6.481 3.980 -9.125 1.00 0.00 H new ATOM 0 HD1 PHE C 57 -3.824 1.685 -7.830 1.00 0.00 H new ATOM 0 HD2 PHE C 57 -5.139 4.217 -10.992 1.00 0.00 H new ATOM 0 HE1 PHE C 57 -1.960 0.908 -9.222 1.00 0.00 H new ATOM 0 HE2 PHE C 57 -3.266 3.451 -12.382 1.00 0.00 H new ATOM 0 HZ PHE C 57 -1.675 1.793 -11.500 1.00 0.00 H new ATOM 864 N VAL C 58 -7.443 5.519 -6.487 1.00 0.00 N ATOM 865 CA VAL C 58 -8.731 5.620 -5.812 1.00 0.00 C ATOM 866 C VAL C 58 -9.851 5.430 -6.822 1.00 0.00 C ATOM 867 O VAL C 58 -10.001 6.235 -7.742 1.00 0.00 O ATOM 868 CB VAL C 58 -8.915 6.976 -5.095 1.00 0.00 C ATOM 869 CG1 VAL C 58 -10.318 7.094 -4.507 1.00 0.00 C ATOM 870 CG2 VAL C 58 -7.878 7.142 -4.002 1.00 0.00 C ATOM 0 H VAL C 58 -7.175 6.352 -7.011 1.00 0.00 H new ATOM 0 HA VAL C 58 -8.763 4.838 -5.053 1.00 0.00 H new ATOM 0 HB VAL C 58 -8.782 7.768 -5.832 1.00 0.00 H new ATOM 0 HG11 VAL C 58 -10.423 8.057 -4.007 1.00 0.00 H new ATOM 0 HG12 VAL C 58 -11.055 7.017 -5.306 1.00 0.00 H new ATOM 0 HG13 VAL C 58 -10.479 6.292 -3.787 1.00 0.00 H new ATOM 0 HG21 VAL C 58 -8.022 8.102 -3.507 1.00 0.00 H new ATOM 0 HG22 VAL C 58 -7.986 6.338 -3.273 1.00 0.00 H new ATOM 0 HG23 VAL C 58 -6.880 7.105 -4.439 1.00 0.00 H new ATOM 880 N ASN C 59 -10.614 4.349 -6.663 1.00 0.00 N ATOM 881 CA ASN C 59 -11.721 4.030 -7.571 1.00 0.00 C ATOM 882 C ASN C 59 -11.239 3.915 -9.016 1.00 0.00 C ATOM 883 O ASN C 59 -11.975 4.218 -9.952 1.00 0.00 O ATOM 884 CB ASN C 59 -12.834 5.083 -7.475 1.00 0.00 C ATOM 885 CG ASN C 59 -13.540 5.069 -6.133 1.00 0.00 C ATOM 886 OD1 ASN C 59 -13.639 4.031 -5.483 1.00 0.00 O ATOM 887 ND2 ASN C 59 -14.035 6.224 -5.709 1.00 0.00 N ATOM 0 H ASN C 59 -10.486 3.674 -5.909 1.00 0.00 H new ATOM 0 HA ASN C 59 -12.123 3.065 -7.263 1.00 0.00 H new ATOM 0 HB2 ASN C 59 -12.409 6.072 -7.647 1.00 0.00 H new ATOM 0 HB3 ASN C 59 -13.563 4.908 -8.266 1.00 0.00 H new ATOM 0 HD21 ASN C 59 -14.519 6.273 -4.813 1.00 0.00 H new ATOM 0 HD22 ASN C 59 -13.931 7.063 -6.279 1.00 0.00 H new ATOM 894 N GLY C 60 -9.997 3.479 -9.189 1.00 0.00 N ATOM 895 CA GLY C 60 -9.448 3.308 -10.523 1.00 0.00 C ATOM 896 C GLY C 60 -8.779 4.561 -11.063 1.00 0.00 C ATOM 897 O GLY C 60 -8.354 4.592 -12.219 1.00 0.00 O ATOM 0 H GLY C 60 -9.359 3.240 -8.430 1.00 0.00 H new ATOM 0 HA2 GLY C 60 -8.722 2.495 -10.508 1.00 0.00 H new ATOM 0 HA3 GLY C 60 -10.247 3.010 -11.202 1.00 0.00 H new ATOM 901 N GLU C 61 -8.678 5.595 -10.237 1.00 0.00 N ATOM 902 CA GLU C 61 -8.001 6.821 -10.637 1.00 0.00 C ATOM 903 C GLU C 61 -6.661 6.941 -9.918 1.00 0.00 C ATOM 904 O GLU C 61 -6.598 6.861 -8.690 1.00 0.00 O ATOM 905 CB GLU C 61 -8.865 8.048 -10.331 1.00 0.00 C ATOM 906 CG GLU C 61 -8.270 9.345 -10.861 1.00 0.00 C ATOM 907 CD GLU C 61 -9.084 10.564 -10.486 1.00 0.00 C ATOM 908 OE1 GLU C 61 -10.058 10.881 -11.201 1.00 0.00 O ATOM 909 OE2 GLU C 61 -8.740 11.226 -9.480 1.00 0.00 O1- ATOM 0 H GLU C 61 -9.055 5.609 -9.289 1.00 0.00 H new ATOM 0 HA GLU C 61 -7.830 6.778 -11.713 1.00 0.00 H new ATOM 0 HB2 GLU C 61 -9.855 7.905 -10.765 1.00 0.00 H new ATOM 0 HB3 GLU C 61 -8.999 8.131 -9.252 1.00 0.00 H new ATOM 0 HG2 GLU C 61 -7.257 9.458 -10.475 1.00 0.00 H new ATOM 0 HG3 GLU C 61 -8.193 9.286 -11.947 1.00 0.00 H new ATOM 916 N LYS C 62 -5.599 7.122 -10.691 1.00 0.00 N ATOM 917 CA LYS C 62 -4.248 7.229 -10.152 1.00 0.00 C ATOM 918 C LYS C 62 -4.144 8.412 -9.193 1.00 0.00 C ATOM 919 O LYS C 62 -4.490 9.541 -9.546 1.00 0.00 O ATOM 920 CB LYS C 62 -3.246 7.391 -11.299 1.00 0.00 C ATOM 921 CG LYS C 62 -1.794 7.192 -10.891 1.00 0.00 C ATOM 922 CD LYS C 62 -1.528 5.756 -10.479 1.00 0.00 C ATOM 923 CE LYS C 62 -0.044 5.490 -10.292 1.00 0.00 C ATOM 924 NZ LYS C 62 0.738 5.797 -11.520 1.00 0.00 N1+ ATOM 0 H LYS C 62 -5.648 7.199 -11.707 1.00 0.00 H new ATOM 0 HA LYS C 62 -4.018 6.318 -9.599 1.00 0.00 H new ATOM 0 HB2 LYS C 62 -3.492 6.677 -12.085 1.00 0.00 H new ATOM 0 HB3 LYS C 62 -3.358 8.387 -11.727 1.00 0.00 H new ATOM 0 HG2 LYS C 62 -1.141 7.461 -11.721 1.00 0.00 H new ATOM 0 HG3 LYS C 62 -1.551 7.860 -10.065 1.00 0.00 H new ATOM 0 HD2 LYS C 62 -2.056 5.540 -9.550 1.00 0.00 H new ATOM 0 HD3 LYS C 62 -1.926 5.081 -11.236 1.00 0.00 H new ATOM 0 HE2 LYS C 62 0.330 6.092 -9.464 1.00 0.00 H new ATOM 0 HE3 LYS C 62 0.105 4.445 -10.019 1.00 0.00 H new ATOM 0 HZ1 LYS C 62 1.645 5.289 -11.490 1.00 0.00 H new ATOM 0 HZ2 LYS C 62 0.200 5.497 -12.358 1.00 0.00 H new ATOM 0 HZ3 LYS C 62 0.916 6.820 -11.571 1.00 0.00 H new ATOM 938 N VAL C 63 -3.677 8.150 -7.982 1.00 0.00 N ATOM 939 CA VAL C 63 -3.591 9.187 -6.960 1.00 0.00 C ATOM 940 C VAL C 63 -2.153 9.395 -6.472 1.00 0.00 C ATOM 941 O VAL C 63 -1.740 10.529 -6.218 1.00 0.00 O ATOM 942 CB VAL C 63 -4.530 8.875 -5.768 1.00 0.00 C ATOM 943 CG1 VAL C 63 -4.431 7.422 -5.363 1.00 0.00 C ATOM 944 CG2 VAL C 63 -4.222 9.754 -4.574 1.00 0.00 C ATOM 0 H VAL C 63 -3.352 7.231 -7.681 1.00 0.00 H new ATOM 0 HA VAL C 63 -3.918 10.118 -7.424 1.00 0.00 H new ATOM 0 HB VAL C 63 -5.547 9.083 -6.101 1.00 0.00 H new ATOM 0 HG11 VAL C 63 -5.101 7.232 -4.524 1.00 0.00 H new ATOM 0 HG12 VAL C 63 -4.714 6.790 -6.204 1.00 0.00 H new ATOM 0 HG13 VAL C 63 -3.406 7.196 -5.068 1.00 0.00 H new ATOM 0 HG21 VAL C 63 -4.900 9.508 -3.757 1.00 0.00 H new ATOM 0 HG22 VAL C 63 -3.193 9.587 -4.255 1.00 0.00 H new ATOM 0 HG23 VAL C 63 -4.351 10.801 -4.850 1.00 0.00 H new ATOM 954 N TYR C 64 -1.387 8.314 -6.359 1.00 0.00 N ATOM 955 CA TYR C 64 -0.016 8.409 -5.866 1.00 0.00 C ATOM 956 C TYR C 64 0.865 7.341 -6.509 1.00 0.00 C ATOM 957 O TYR C 64 0.376 6.288 -6.917 1.00 0.00 O ATOM 958 CB TYR C 64 0.006 8.274 -4.335 1.00 0.00 C ATOM 959 CG TYR C 64 1.370 8.494 -3.707 1.00 0.00 C ATOM 960 CD1 TYR C 64 1.956 9.753 -3.698 1.00 0.00 C ATOM 961 CD2 TYR C 64 2.070 7.443 -3.122 1.00 0.00 C ATOM 962 CE1 TYR C 64 3.199 9.960 -3.130 1.00 0.00 C ATOM 963 CE2 TYR C 64 3.313 7.644 -2.550 1.00 0.00 C ATOM 964 CZ TYR C 64 3.872 8.903 -2.556 1.00 0.00 C ATOM 965 OH TYR C 64 5.113 9.103 -1.994 1.00 0.00 O ATOM 0 H TYR C 64 -1.688 7.370 -6.600 1.00 0.00 H new ATOM 0 HA TYR C 64 0.382 9.386 -6.138 1.00 0.00 H new ATOM 0 HB2 TYR C 64 -0.697 8.990 -3.909 1.00 0.00 H new ATOM 0 HB3 TYR C 64 -0.349 7.280 -4.065 1.00 0.00 H new ATOM 0 HD1 TYR C 64 1.431 10.585 -4.143 1.00 0.00 H new ATOM 0 HD2 TYR C 64 1.635 6.454 -3.115 1.00 0.00 H new ATOM 0 HE1 TYR C 64 3.641 10.945 -3.136 1.00 0.00 H new ATOM 0 HE2 TYR C 64 3.843 6.817 -2.101 1.00 0.00 H new ATOM 0 HH TYR C 64 5.449 8.256 -1.633 1.00 0.00 H new ATOM 975 N THR C 65 2.154 7.631 -6.609 1.00 0.00 N ATOM 976 CA THR C 65 3.126 6.701 -7.164 1.00 0.00 C ATOM 977 C THR C 65 4.423 6.776 -6.343 1.00 0.00 C ATOM 978 O THR C 65 4.770 7.850 -5.846 1.00 0.00 O ATOM 979 CB THR C 65 3.434 7.063 -8.637 1.00 0.00 C ATOM 980 OG1 THR C 65 2.218 7.148 -9.385 1.00 0.00 O ATOM 981 CG2 THR C 65 4.360 6.047 -9.290 1.00 0.00 C ATOM 0 H THR C 65 2.556 8.519 -6.307 1.00 0.00 H new ATOM 0 HA THR C 65 2.716 5.692 -7.124 1.00 0.00 H new ATOM 0 HB THR C 65 3.940 8.029 -8.637 1.00 0.00 H new ATOM 0 HG1 THR C 65 2.406 7.517 -10.273 1.00 0.00 H new ATOM 0 HG21 THR C 65 4.550 6.339 -10.323 1.00 0.00 H new ATOM 0 HG22 THR C 65 5.303 6.010 -8.744 1.00 0.00 H new ATOM 0 HG23 THR C 65 3.891 5.063 -9.272 1.00 0.00 H new ATOM 989 N PHE C 66 5.133 5.660 -6.183 1.00 0.00 N ATOM 990 CA PHE C 66 6.417 5.683 -5.478 1.00 0.00 C ATOM 991 C PHE C 66 7.307 4.517 -5.903 1.00 0.00 C ATOM 992 O PHE C 66 6.946 3.734 -6.781 1.00 0.00 O ATOM 993 CB PHE C 66 6.226 5.689 -3.948 1.00 0.00 C ATOM 994 CG PHE C 66 5.600 4.450 -3.358 1.00 0.00 C ATOM 995 CD1 PHE C 66 6.387 3.368 -2.987 1.00 0.00 C ATOM 996 CD2 PHE C 66 4.234 4.383 -3.138 1.00 0.00 C ATOM 997 CE1 PHE C 66 5.824 2.247 -2.410 1.00 0.00 C ATOM 998 CE2 PHE C 66 3.664 3.261 -2.565 1.00 0.00 C ATOM 999 CZ PHE C 66 4.461 2.193 -2.198 1.00 0.00 C ATOM 0 H PHE C 66 4.849 4.742 -6.525 1.00 0.00 H new ATOM 0 HA PHE C 66 6.917 6.611 -5.757 1.00 0.00 H new ATOM 0 HB2 PHE C 66 7.199 5.839 -3.480 1.00 0.00 H new ATOM 0 HB3 PHE C 66 5.609 6.547 -3.682 1.00 0.00 H new ATOM 0 HD1 PHE C 66 7.454 3.404 -3.152 1.00 0.00 H new ATOM 0 HD2 PHE C 66 3.607 5.217 -3.417 1.00 0.00 H new ATOM 0 HE1 PHE C 66 6.449 1.414 -2.125 1.00 0.00 H new ATOM 0 HE2 PHE C 66 2.597 3.219 -2.404 1.00 0.00 H new ATOM 0 HZ PHE C 66 4.018 1.318 -1.746 1.00 0.00 H new ATOM 1009 N ASN C 67 8.479 4.427 -5.284 1.00 0.00 N ATOM 1010 CA ASN C 67 9.441 3.371 -5.580 1.00 0.00 C ATOM 1011 C ASN C 67 9.628 2.475 -4.365 1.00 0.00 C ATOM 1012 O ASN C 67 9.767 2.947 -3.237 1.00 0.00 O ATOM 1013 CB ASN C 67 10.790 3.965 -5.997 1.00 0.00 C ATOM 1014 CG ASN C 67 10.784 4.523 -7.409 1.00 0.00 C ATOM 1015 OD1 ASN C 67 9.759 4.984 -7.912 1.00 0.00 O ATOM 1016 ND2 ASN C 67 11.934 4.487 -8.060 1.00 0.00 N ATOM 0 H ASN C 67 8.788 5.081 -4.565 1.00 0.00 H new ATOM 0 HA ASN C 67 9.051 2.778 -6.407 1.00 0.00 H new ATOM 0 HB2 ASN C 67 11.062 4.758 -5.300 1.00 0.00 H new ATOM 0 HB3 ASN C 67 11.558 3.196 -5.920 1.00 0.00 H new ATOM 0 HD21 ASN C 67 11.993 4.849 -9.012 1.00 0.00 H new ATOM 0 HD22 ASN C 67 12.763 4.097 -7.610 1.00 0.00 H new ATOM 1023 N GLU C 68 9.638 1.172 -4.633 1.00 0.00 N ATOM 1024 CA GLU C 68 9.667 0.136 -3.600 1.00 0.00 C ATOM 1025 C GLU C 68 10.900 0.226 -2.707 1.00 0.00 C ATOM 1026 O GLU C 68 10.789 0.163 -1.488 1.00 0.00 O ATOM 1027 CB GLU C 68 9.632 -1.244 -4.263 1.00 0.00 C ATOM 1028 CG GLU C 68 8.523 -2.163 -3.765 1.00 0.00 C ATOM 1029 CD GLU C 68 8.751 -3.620 -4.121 1.00 0.00 C ATOM 1030 OE1 GLU C 68 9.013 -4.433 -3.208 1.00 0.00 O ATOM 1031 OE2 GLU C 68 8.661 -3.963 -5.315 1.00 0.00 O1- ATOM 0 H GLU C 68 9.626 0.800 -5.583 1.00 0.00 H new ATOM 0 HA GLU C 68 8.792 0.289 -2.968 1.00 0.00 H new ATOM 0 HB2 GLU C 68 9.520 -1.112 -5.339 1.00 0.00 H new ATOM 0 HB3 GLU C 68 10.592 -1.734 -4.100 1.00 0.00 H new ATOM 0 HG2 GLU C 68 8.440 -2.069 -2.682 1.00 0.00 H new ATOM 0 HG3 GLU C 68 7.572 -1.837 -4.187 1.00 0.00 H new ATOM 1038 N LYS C 69 12.068 0.373 -3.318 1.00 0.00 N ATOM 1039 CA LYS C 69 13.342 0.247 -2.604 1.00 0.00 C ATOM 1040 C LYS C 69 13.585 1.383 -1.618 1.00 0.00 C ATOM 1041 O LYS C 69 14.602 1.390 -0.923 1.00 0.00 O ATOM 1042 CB LYS C 69 14.493 0.215 -3.596 1.00 0.00 C ATOM 1043 CG LYS C 69 14.576 1.486 -4.407 1.00 0.00 C ATOM 1044 CD LYS C 69 15.734 1.456 -5.392 1.00 0.00 C ATOM 1045 CE LYS C 69 17.077 1.623 -4.688 1.00 0.00 C ATOM 1046 NZ LYS C 69 17.220 2.964 -4.058 1.00 0.00 N1+ ATOM 0 H LYS C 69 12.165 0.581 -4.312 1.00 0.00 H new ATOM 0 HA LYS C 69 13.287 -0.683 -2.038 1.00 0.00 H new ATOM 0 HB2 LYS C 69 15.430 0.065 -3.060 1.00 0.00 H new ATOM 0 HB3 LYS C 69 14.370 -0.636 -4.266 1.00 0.00 H new ATOM 0 HG2 LYS C 69 13.642 1.632 -4.949 1.00 0.00 H new ATOM 0 HG3 LYS C 69 14.692 2.338 -3.736 1.00 0.00 H new ATOM 0 HD2 LYS C 69 15.724 0.512 -5.937 1.00 0.00 H new ATOM 0 HD3 LYS C 69 15.607 2.251 -6.127 1.00 0.00 H new ATOM 0 HE2 LYS C 69 17.183 0.852 -3.925 1.00 0.00 H new ATOM 0 HE3 LYS C 69 17.883 1.474 -5.407 1.00 0.00 H new ATOM 0 HZ1 LYS C 69 18.224 3.151 -3.864 1.00 0.00 H new ATOM 0 HZ2 LYS C 69 16.851 3.692 -4.703 1.00 0.00 H new ATOM 0 HZ3 LYS C 69 16.685 2.988 -3.167 1.00 0.00 H new ATOM 1060 N SER C 70 12.679 2.348 -1.567 1.00 0.00 N ATOM 1061 CA SER C 70 12.822 3.459 -0.646 1.00 0.00 C ATOM 1062 C SER C 70 12.587 2.980 0.789 1.00 0.00 C ATOM 1063 O SER C 70 12.411 1.783 1.027 1.00 0.00 O ATOM 1064 CB SER C 70 11.833 4.565 -1.013 1.00 0.00 C ATOM 1065 OG SER C 70 12.028 4.992 -2.355 1.00 0.00 O ATOM 0 H SER C 70 11.843 2.382 -2.150 1.00 0.00 H new ATOM 0 HA SER C 70 13.834 3.859 -0.716 1.00 0.00 H new ATOM 0 HB2 SER C 70 10.813 4.203 -0.886 1.00 0.00 H new ATOM 0 HB3 SER C 70 11.958 5.410 -0.336 1.00 0.00 H new ATOM 0 HG SER C 70 11.408 4.513 -2.944 1.00 0.00 H new ATOM 1071 N THR C 71 12.577 3.892 1.753 1.00 0.00 N ATOM 1072 CA THR C 71 12.309 3.509 3.111 1.00 0.00 C ATOM 1073 C THR C 71 10.818 3.304 3.272 1.00 0.00 C ATOM 1074 O THR C 71 10.046 4.265 3.327 1.00 0.00 O ATOM 1075 CB THR C 71 12.825 4.557 4.113 1.00 0.00 C ATOM 1076 OG1 THR C 71 12.546 5.878 3.632 1.00 0.00 O ATOM 1077 CG2 THR C 71 14.320 4.402 4.339 1.00 0.00 C ATOM 0 H THR C 71 12.750 4.887 1.611 1.00 0.00 H new ATOM 0 HA THR C 71 12.838 2.581 3.326 1.00 0.00 H new ATOM 0 HB THR C 71 12.311 4.400 5.062 1.00 0.00 H new ATOM 0 HG1 THR C 71 13.384 6.316 3.374 1.00 0.00 H new ATOM 0 HG21 THR C 71 14.660 5.154 5.051 1.00 0.00 H new ATOM 0 HG22 THR C 71 14.527 3.408 4.735 1.00 0.00 H new ATOM 0 HG23 THR C 71 14.846 4.533 3.394 1.00 0.00 H new ATOM 1085 N VAL C 72 10.419 2.044 3.324 1.00 0.00 N ATOM 1086 CA VAL C 72 9.014 1.670 3.333 1.00 0.00 C ATOM 1087 C VAL C 72 8.300 2.264 4.545 1.00 0.00 C ATOM 1088 O VAL C 72 7.078 2.289 4.600 1.00 0.00 O ATOM 1089 CB VAL C 72 8.841 0.128 3.325 1.00 0.00 C ATOM 1090 CG1 VAL C 72 7.447 -0.266 2.883 1.00 0.00 C ATOM 1091 CG2 VAL C 72 9.880 -0.536 2.432 1.00 0.00 C ATOM 0 H VAL C 72 11.060 1.251 3.361 1.00 0.00 H new ATOM 0 HA VAL C 72 8.565 2.073 2.425 1.00 0.00 H new ATOM 0 HB VAL C 72 8.989 -0.220 4.347 1.00 0.00 H new ATOM 0 HG11 VAL C 72 7.357 -1.352 2.888 1.00 0.00 H new ATOM 0 HG12 VAL C 72 6.714 0.162 3.567 1.00 0.00 H new ATOM 0 HG13 VAL C 72 7.265 0.109 1.876 1.00 0.00 H new ATOM 0 HG21 VAL C 72 9.735 -1.616 2.446 1.00 0.00 H new ATOM 0 HG22 VAL C 72 9.771 -0.168 1.412 1.00 0.00 H new ATOM 0 HG23 VAL C 72 10.879 -0.300 2.798 1.00 0.00 H new ATOM 1101 N GLY C 73 9.070 2.784 5.494 1.00 0.00 N ATOM 1102 CA GLY C 73 8.485 3.362 6.693 1.00 0.00 C ATOM 1103 C GLY C 73 8.146 4.815 6.505 1.00 0.00 C ATOM 1104 O GLY C 73 7.203 5.321 7.111 1.00 0.00 O ATOM 0 H GLY C 73 10.089 2.816 5.456 1.00 0.00 H new ATOM 0 HA2 GLY C 73 7.584 2.810 6.960 1.00 0.00 H new ATOM 0 HA3 GLY C 73 9.182 3.256 7.525 1.00 0.00 H new ATOM 1108 N ASN C 74 8.896 5.483 5.646 1.00 0.00 N ATOM 1109 CA ASN C 74 8.597 6.861 5.302 1.00 0.00 C ATOM 1110 C ASN C 74 7.500 6.885 4.258 1.00 0.00 C ATOM 1111 O ASN C 74 6.723 7.831 4.171 1.00 0.00 O ATOM 1112 CB ASN C 74 9.848 7.568 4.790 1.00 0.00 C ATOM 1113 CG ASN C 74 10.811 7.915 5.906 1.00 0.00 C ATOM 1114 OD1 ASN C 74 10.407 8.346 6.985 1.00 0.00 O ATOM 1115 ND2 ASN C 74 12.088 7.674 5.674 1.00 0.00 N ATOM 0 H ASN C 74 9.714 5.095 5.176 1.00 0.00 H new ATOM 0 HA ASN C 74 8.256 7.392 6.191 1.00 0.00 H new ATOM 0 HB2 ASN C 74 10.352 6.930 4.064 1.00 0.00 H new ATOM 0 HB3 ASN C 74 9.559 8.479 4.267 1.00 0.00 H new ATOM 0 HD21 ASN C 74 12.780 7.845 6.404 1.00 0.00 H new ATOM 0 HD22 ASN C 74 12.383 7.317 4.765 1.00 0.00 H new ATOM 1122 N ILE C 75 7.444 5.825 3.464 1.00 0.00 N ATOM 1123 CA ILE C 75 6.397 5.676 2.469 1.00 0.00 C ATOM 1124 C ILE C 75 5.083 5.265 3.126 1.00 0.00 C ATOM 1125 O ILE C 75 4.051 5.898 2.911 1.00 0.00 O ATOM 1126 CB ILE C 75 6.765 4.622 1.406 1.00 0.00 C ATOM 1127 CG1 ILE C 75 8.094 4.967 0.725 1.00 0.00 C ATOM 1128 CG2 ILE C 75 5.650 4.512 0.379 1.00 0.00 C ATOM 1129 CD1 ILE C 75 8.071 6.271 -0.038 1.00 0.00 C ATOM 0 H ILE C 75 8.113 5.056 3.491 1.00 0.00 H new ATOM 0 HA ILE C 75 6.285 6.645 1.983 1.00 0.00 H new ATOM 0 HB ILE C 75 6.886 3.659 1.902 1.00 0.00 H new ATOM 0 HG12 ILE C 75 8.877 5.014 1.482 1.00 0.00 H new ATOM 0 HG13 ILE C 75 8.360 4.162 0.040 1.00 0.00 H new ATOM 0 HG21 ILE C 75 5.917 3.765 -0.369 1.00 0.00 H new ATOM 0 HG22 ILE C 75 4.726 4.214 0.875 1.00 0.00 H new ATOM 0 HG23 ILE C 75 5.506 5.477 -0.107 1.00 0.00 H new ATOM 0 HD11 ILE C 75 9.047 6.445 -0.491 1.00 0.00 H new ATOM 0 HD12 ILE C 75 7.312 6.222 -0.819 1.00 0.00 H new ATOM 0 HD13 ILE C 75 7.837 7.088 0.645 1.00 0.00 H new ATOM 1141 N SER C 76 5.134 4.205 3.932 1.00 0.00 N ATOM 1142 CA SER C 76 3.932 3.652 4.549 1.00 0.00 C ATOM 1143 C SER C 76 3.153 4.697 5.308 1.00 0.00 C ATOM 1144 O SER C 76 2.003 4.975 4.996 1.00 0.00 O ATOM 1145 CB SER C 76 4.272 2.497 5.486 1.00 0.00 C ATOM 1146 OG SER C 76 5.284 2.860 6.409 1.00 0.00 O ATOM 0 H SER C 76 5.995 3.713 4.172 1.00 0.00 H new ATOM 0 HA SER C 76 3.310 3.283 3.733 1.00 0.00 H new ATOM 0 HB2 SER C 76 3.377 2.190 6.027 1.00 0.00 H new ATOM 0 HB3 SER C 76 4.602 1.638 4.902 1.00 0.00 H new ATOM 0 HG SER C 76 6.109 3.070 5.924 1.00 0.00 H new ATOM 1152 N ASN C 77 3.779 5.273 6.299 1.00 0.00 N ATOM 1153 CA ASN C 77 3.083 6.225 7.154 1.00 0.00 C ATOM 1154 C ASN C 77 2.770 7.544 6.446 1.00 0.00 C ATOM 1155 O ASN C 77 1.912 8.297 6.906 1.00 0.00 O ATOM 1156 CB ASN C 77 3.814 6.447 8.471 1.00 0.00 C ATOM 1157 CG ASN C 77 3.534 5.338 9.476 1.00 0.00 C ATOM 1158 OD1 ASN C 77 2.295 4.848 9.500 1.00 0.00 O flip ATOM 1159 ND2 ASN C 77 4.414 4.937 10.236 1.00 0.00 N flip ATOM 0 H ASN C 77 4.756 5.110 6.541 1.00 0.00 H new ATOM 0 HA ASN C 77 2.120 5.772 7.390 1.00 0.00 H new ATOM 0 HB2 ASN C 77 4.886 6.504 8.285 1.00 0.00 H new ATOM 0 HB3 ASN C 77 3.513 7.405 8.895 1.00 0.00 H new ATOM 0 HD21 ASN C 77 5.351 5.337 10.187 1.00 0.00 H new ATOM 0 HD22 ASN C 77 4.207 4.204 10.915 1.00 0.00 H new ATOM 1166 N ASP C 78 3.428 7.827 5.322 1.00 0.00 N ATOM 1167 CA ASP C 78 2.968 8.918 4.456 1.00 0.00 C ATOM 1168 C ASP C 78 1.586 8.585 3.948 1.00 0.00 C ATOM 1169 O ASP C 78 0.705 9.433 3.899 1.00 0.00 O ATOM 1170 CB ASP C 78 3.880 9.141 3.254 1.00 0.00 C ATOM 1171 CG ASP C 78 4.885 10.255 3.468 1.00 0.00 C ATOM 1172 OD1 ASP C 78 5.364 10.430 4.606 1.00 0.00 O ATOM 1173 OD2 ASP C 78 5.201 10.969 2.491 1.00 0.00 O1- ATOM 0 H ASP C 78 4.258 7.333 4.994 1.00 0.00 H new ATOM 0 HA ASP C 78 2.972 9.831 5.052 1.00 0.00 H new ATOM 0 HB2 ASP C 78 4.413 8.216 3.034 1.00 0.00 H new ATOM 0 HB3 ASP C 78 3.270 9.373 2.381 1.00 0.00 H new ATOM 1178 N ILE C 79 1.405 7.322 3.593 1.00 0.00 N ATOM 1179 CA ILE C 79 0.109 6.810 3.181 1.00 0.00 C ATOM 1180 C ILE C 79 -0.924 7.027 4.289 1.00 0.00 C ATOM 1181 O ILE C 79 -2.126 7.099 4.036 1.00 0.00 O ATOM 1182 CB ILE C 79 0.197 5.304 2.818 1.00 0.00 C ATOM 1183 CG1 ILE C 79 1.085 5.106 1.588 1.00 0.00 C ATOM 1184 CG2 ILE C 79 -1.184 4.709 2.581 1.00 0.00 C ATOM 1185 CD1 ILE C 79 1.245 3.656 1.184 1.00 0.00 C ATOM 0 H ILE C 79 2.150 6.626 3.583 1.00 0.00 H new ATOM 0 HA ILE C 79 -0.205 7.357 2.292 1.00 0.00 H new ATOM 0 HB ILE C 79 0.643 4.780 3.663 1.00 0.00 H new ATOM 0 HG12 ILE C 79 0.663 5.663 0.752 1.00 0.00 H new ATOM 0 HG13 ILE C 79 2.069 5.529 1.789 1.00 0.00 H new ATOM 0 HG21 ILE C 79 -1.087 3.653 2.329 1.00 0.00 H new ATOM 0 HG22 ILE C 79 -1.785 4.812 3.485 1.00 0.00 H new ATOM 0 HG23 ILE C 79 -1.671 5.235 1.760 1.00 0.00 H new ATOM 0 HD11 ILE C 79 1.887 3.592 0.305 1.00 0.00 H new ATOM 0 HD12 ILE C 79 1.696 3.097 2.004 1.00 0.00 H new ATOM 0 HD13 ILE C 79 0.268 3.233 0.951 1.00 0.00 H new ATOM 1197 N ASN C 80 -0.449 7.174 5.520 1.00 0.00 N ATOM 1198 CA ASN C 80 -1.358 7.304 6.647 1.00 0.00 C ATOM 1199 C ASN C 80 -1.829 8.727 6.822 1.00 0.00 C ATOM 1200 O ASN C 80 -2.989 8.949 7.154 1.00 0.00 O ATOM 1201 CB ASN C 80 -0.744 6.844 7.974 1.00 0.00 C ATOM 1202 CG ASN C 80 -0.329 5.391 8.012 1.00 0.00 C ATOM 1203 OD1 ASN C 80 -0.457 4.731 9.038 1.00 0.00 O ATOM 1204 ND2 ASN C 80 0.216 4.889 6.923 1.00 0.00 N ATOM 0 H ASN C 80 0.542 7.206 5.759 1.00 0.00 H new ATOM 0 HA ASN C 80 -2.198 6.653 6.404 1.00 0.00 H new ATOM 0 HB2 ASN C 80 0.128 7.462 8.188 1.00 0.00 H new ATOM 0 HB3 ASN C 80 -1.464 7.022 8.772 1.00 0.00 H new ATOM 0 HD21 ASN C 80 0.547 3.924 6.916 1.00 0.00 H new ATOM 0 HD22 ASN C 80 0.307 5.465 6.086 1.00 0.00 H new ATOM 1211 N LYS C 81 -0.942 9.690 6.619 1.00 0.00 N ATOM 1212 CA LYS C 81 -1.323 11.087 6.760 1.00 0.00 C ATOM 1213 C LYS C 81 -2.396 11.427 5.730 1.00 0.00 C ATOM 1214 O LYS C 81 -3.249 12.275 5.960 1.00 0.00 O ATOM 1215 CB LYS C 81 -0.103 12.011 6.639 1.00 0.00 C ATOM 1216 CG LYS C 81 0.562 12.001 5.273 1.00 0.00 C ATOM 1217 CD LYS C 81 1.960 12.600 5.320 1.00 0.00 C ATOM 1218 CE LYS C 81 1.948 14.027 5.838 1.00 0.00 C ATOM 1219 NZ LYS C 81 3.317 14.592 5.947 1.00 0.00 N1+ ATOM 0 H LYS C 81 0.032 9.534 6.360 1.00 0.00 H new ATOM 0 HA LYS C 81 -1.737 11.246 7.756 1.00 0.00 H new ATOM 0 HB2 LYS C 81 -0.411 13.030 6.872 1.00 0.00 H new ATOM 0 HB3 LYS C 81 0.633 11.721 7.389 1.00 0.00 H new ATOM 0 HG2 LYS C 81 0.618 10.977 4.903 1.00 0.00 H new ATOM 0 HG3 LYS C 81 -0.050 12.562 4.567 1.00 0.00 H new ATOM 0 HD2 LYS C 81 2.596 11.987 5.959 1.00 0.00 H new ATOM 0 HD3 LYS C 81 2.397 12.580 4.322 1.00 0.00 H new ATOM 0 HE2 LYS C 81 1.351 14.649 5.171 1.00 0.00 H new ATOM 0 HE3 LYS C 81 1.466 14.054 6.815 1.00 0.00 H new ATOM 0 HZ1 LYS C 81 3.263 15.567 6.304 1.00 0.00 H new ATOM 0 HZ2 LYS C 81 3.880 14.014 6.603 1.00 0.00 H new ATOM 0 HZ3 LYS C 81 3.768 14.591 5.010 1.00 0.00 H new ATOM 1233 N LEU C 82 -2.376 10.706 4.613 1.00 0.00 N ATOM 1234 CA LEU C 82 -3.415 10.827 3.594 1.00 0.00 C ATOM 1235 C LEU C 82 -4.775 10.527 4.214 1.00 0.00 C ATOM 1236 O LEU C 82 -5.786 11.111 3.826 1.00 0.00 O ATOM 1237 CB LEU C 82 -3.175 9.822 2.462 1.00 0.00 C ATOM 1238 CG LEU C 82 -1.716 9.598 2.049 1.00 0.00 C ATOM 1239 CD1 LEU C 82 -1.665 8.706 0.815 1.00 0.00 C ATOM 1240 CD2 LEU C 82 -1.019 10.921 1.765 1.00 0.00 C ATOM 0 H LEU C 82 -1.648 10.028 4.389 1.00 0.00 H new ATOM 0 HA LEU C 82 -3.389 11.842 3.197 1.00 0.00 H new ATOM 0 HB2 LEU C 82 -3.597 8.863 2.762 1.00 0.00 H new ATOM 0 HB3 LEU C 82 -3.731 10.155 1.586 1.00 0.00 H new ATOM 0 HG LEU C 82 -1.194 9.111 2.873 1.00 0.00 H new ATOM 0 HD11 LEU C 82 -0.627 8.548 0.523 1.00 0.00 H new ATOM 0 HD12 LEU C 82 -2.129 7.746 1.041 1.00 0.00 H new ATOM 0 HD13 LEU C 82 -2.203 9.185 -0.003 1.00 0.00 H new ATOM 0 HD21 LEU C 82 0.015 10.733 1.474 1.00 0.00 H new ATOM 0 HD22 LEU C 82 -1.535 11.438 0.956 1.00 0.00 H new ATOM 0 HD23 LEU C 82 -1.037 11.541 2.661 1.00 0.00 H new ATOM 1252 N ASN C 83 -4.737 9.638 5.207 1.00 0.00 N ATOM 1253 CA ASN C 83 -5.912 9.060 5.876 1.00 0.00 C ATOM 1254 C ASN C 83 -7.075 8.793 4.929 1.00 0.00 C ATOM 1255 O ASN C 83 -7.799 9.700 4.518 1.00 0.00 O ATOM 1256 CB ASN C 83 -6.336 9.879 7.090 1.00 0.00 C ATOM 1257 CG ASN C 83 -6.279 9.046 8.370 1.00 0.00 C ATOM 1258 OD1 ASN C 83 -5.327 8.107 8.453 1.00 0.00 O flip ATOM 1259 ND2 ASN C 83 -7.069 9.257 9.289 1.00 0.00 N flip ATOM 0 H ASN C 83 -3.857 9.285 5.584 1.00 0.00 H new ATOM 0 HA ASN C 83 -5.598 8.082 6.239 1.00 0.00 H new ATOM 0 HB2 ASN C 83 -5.686 10.748 7.190 1.00 0.00 H new ATOM 0 HB3 ASN C 83 -7.349 10.254 6.943 1.00 0.00 H new ATOM 0 HD21 ASN C 83 -7.782 9.980 9.193 1.00 0.00 H new ATOM 0 HD22 ASN C 83 -7.011 8.709 10.147 1.00 0.00 H new ATOM 1266 N ILE C 84 -7.235 7.507 4.636 1.00 0.00 N ATOM 1267 CA ILE C 84 -8.196 6.981 3.667 1.00 0.00 C ATOM 1268 C ILE C 84 -9.560 7.659 3.748 1.00 0.00 C ATOM 1269 O ILE C 84 -10.013 8.047 4.819 1.00 0.00 O ATOM 1270 CB ILE C 84 -8.366 5.450 3.872 1.00 0.00 C ATOM 1271 CG1 ILE C 84 -8.352 4.717 2.547 1.00 0.00 C ATOM 1272 CG2 ILE C 84 -9.651 5.111 4.613 1.00 0.00 C ATOM 1273 CD1 ILE C 84 -7.041 4.840 1.799 1.00 0.00 C ATOM 0 H ILE C 84 -6.681 6.775 5.081 1.00 0.00 H new ATOM 0 HA ILE C 84 -7.791 7.192 2.677 1.00 0.00 H new ATOM 0 HB ILE C 84 -7.520 5.126 4.478 1.00 0.00 H new ATOM 0 HG12 ILE C 84 -8.563 3.662 2.723 1.00 0.00 H new ATOM 0 HG13 ILE C 84 -9.156 5.102 1.920 1.00 0.00 H new ATOM 0 HG21 ILE C 84 -9.727 4.030 4.733 1.00 0.00 H new ATOM 0 HG22 ILE C 84 -9.641 5.586 5.594 1.00 0.00 H new ATOM 0 HG23 ILE C 84 -10.506 5.474 4.043 1.00 0.00 H new ATOM 0 HD11 ILE C 84 -7.105 4.290 0.860 1.00 0.00 H new ATOM 0 HD12 ILE C 84 -6.838 5.891 1.591 1.00 0.00 H new ATOM 0 HD13 ILE C 84 -6.235 4.428 2.407 1.00 0.00 H new ATOM 1285 N LYS C 85 -10.194 7.807 2.599 1.00 0.00 N ATOM 1286 CA LYS C 85 -11.546 8.335 2.528 1.00 0.00 C ATOM 1287 C LYS C 85 -12.259 7.724 1.329 1.00 0.00 C ATOM 1288 O LYS C 85 -13.271 8.240 0.846 1.00 0.00 O ATOM 1289 CB LYS C 85 -11.505 9.858 2.416 1.00 0.00 C ATOM 1290 CG LYS C 85 -10.934 10.351 1.086 1.00 0.00 C ATOM 1291 CD LYS C 85 -10.009 11.538 1.277 1.00 0.00 C ATOM 1292 CE LYS C 85 -8.776 11.154 2.080 1.00 0.00 C ATOM 1293 NZ LYS C 85 -7.786 12.259 2.150 1.00 0.00 N1+ ATOM 0 H LYS C 85 -9.790 7.567 1.694 1.00 0.00 H new ATOM 0 HA LYS C 85 -12.092 8.075 3.435 1.00 0.00 H new ATOM 0 HB2 LYS C 85 -12.514 10.252 2.539 1.00 0.00 H new ATOM 0 HB3 LYS C 85 -10.905 10.259 3.232 1.00 0.00 H new ATOM 0 HG2 LYS C 85 -10.390 9.540 0.601 1.00 0.00 H new ATOM 0 HG3 LYS C 85 -11.751 10.630 0.420 1.00 0.00 H new ATOM 0 HD2 LYS C 85 -9.706 11.926 0.304 1.00 0.00 H new ATOM 0 HD3 LYS C 85 -10.543 12.339 1.787 1.00 0.00 H new ATOM 0 HE2 LYS C 85 -9.075 10.872 3.089 1.00 0.00 H new ATOM 0 HE3 LYS C 85 -8.309 10.278 1.629 1.00 0.00 H new ATOM 0 HZ1 LYS C 85 -6.986 11.971 2.749 1.00 0.00 H new ATOM 0 HZ2 LYS C 85 -7.442 12.478 1.193 1.00 0.00 H new ATOM 0 HZ3 LYS C 85 -8.236 13.103 2.557 1.00 0.00 H new ATOM 1307 N GLY C 86 -11.711 6.616 0.855 1.00 0.00 N ATOM 1308 CA GLY C 86 -12.255 5.952 -0.306 1.00 0.00 C ATOM 1309 C GLY C 86 -12.996 4.687 0.067 1.00 0.00 C ATOM 1310 O GLY C 86 -12.809 4.167 1.165 1.00 0.00 O ATOM 0 H GLY C 86 -10.892 6.163 1.260 1.00 0.00 H new ATOM 0 HA2 GLY C 86 -12.931 6.629 -0.828 1.00 0.00 H new ATOM 0 HA3 GLY C 86 -11.448 5.710 -0.998 1.00 0.00 H new ATOM 1314 N PRO C 87 -13.848 4.166 -0.827 1.00 0.00 N ATOM 1315 CA PRO C 87 -14.568 2.909 -0.595 1.00 0.00 C ATOM 1316 C PRO C 87 -13.689 1.704 -0.879 1.00 0.00 C ATOM 1317 O PRO C 87 -13.784 0.675 -0.219 1.00 0.00 O ATOM 1318 CB PRO C 87 -15.691 2.978 -1.618 1.00 0.00 C ATOM 1319 CG PRO C 87 -15.075 3.709 -2.754 1.00 0.00 C ATOM 1320 CD PRO C 87 -14.211 4.769 -2.125 1.00 0.00 C ATOM 0 HA PRO C 87 -14.904 2.799 0.436 1.00 0.00 H new ATOM 0 HB2 PRO C 87 -16.027 1.984 -1.914 1.00 0.00 H new ATOM 0 HB3 PRO C 87 -16.561 3.505 -1.225 1.00 0.00 H new ATOM 0 HG2 PRO C 87 -14.483 3.039 -3.378 1.00 0.00 H new ATOM 0 HG3 PRO C 87 -15.837 4.152 -3.395 1.00 0.00 H new ATOM 0 HD2 PRO C 87 -13.331 4.986 -2.731 1.00 0.00 H new ATOM 0 HD3 PRO C 87 -14.750 5.708 -1.998 1.00 0.00 H new ATOM 1328 N TYR C 88 -12.837 1.846 -1.881 1.00 0.00 N ATOM 1329 CA TYR C 88 -11.881 0.826 -2.224 1.00 0.00 C ATOM 1330 C TYR C 88 -10.752 1.459 -3.014 1.00 0.00 C ATOM 1331 O TYR C 88 -10.985 2.248 -3.934 1.00 0.00 O ATOM 1332 CB TYR C 88 -12.525 -0.339 -2.993 1.00 0.00 C ATOM 1333 CG TYR C 88 -13.368 0.077 -4.183 1.00 0.00 C ATOM 1334 CD1 TYR C 88 -12.795 0.258 -5.437 1.00 0.00 C ATOM 1335 CD2 TYR C 88 -14.736 0.281 -4.054 1.00 0.00 C ATOM 1336 CE1 TYR C 88 -13.560 0.632 -6.524 1.00 0.00 C ATOM 1337 CE2 TYR C 88 -15.506 0.657 -5.137 1.00 0.00 C ATOM 1338 CZ TYR C 88 -14.914 0.832 -6.368 1.00 0.00 C ATOM 1339 OH TYR C 88 -15.680 1.203 -7.450 1.00 0.00 O ATOM 0 H TYR C 88 -12.795 2.674 -2.475 1.00 0.00 H new ATOM 0 HA TYR C 88 -11.484 0.394 -1.305 1.00 0.00 H new ATOM 0 HB2 TYR C 88 -11.737 -1.008 -3.339 1.00 0.00 H new ATOM 0 HB3 TYR C 88 -13.148 -0.910 -2.305 1.00 0.00 H new ATOM 0 HD1 TYR C 88 -11.734 0.103 -5.563 1.00 0.00 H new ATOM 0 HD2 TYR C 88 -15.205 0.143 -3.091 1.00 0.00 H new ATOM 0 HE1 TYR C 88 -13.099 0.767 -7.491 1.00 0.00 H new ATOM 0 HE2 TYR C 88 -16.568 0.813 -5.019 1.00 0.00 H new ATOM 0 HH TYR C 88 -16.614 1.302 -7.171 1.00 0.00 H new ATOM 1349 N ILE C 89 -9.534 1.146 -2.631 1.00 0.00 N ATOM 1350 CA ILE C 89 -8.373 1.792 -3.203 1.00 0.00 C ATOM 1351 C ILE C 89 -7.306 0.762 -3.544 1.00 0.00 C ATOM 1352 O ILE C 89 -7.078 -0.187 -2.793 1.00 0.00 O ATOM 1353 CB ILE C 89 -7.834 2.870 -2.234 1.00 0.00 C ATOM 1354 CG1 ILE C 89 -8.849 4.016 -2.147 1.00 0.00 C ATOM 1355 CG2 ILE C 89 -6.467 3.386 -2.668 1.00 0.00 C ATOM 1356 CD1 ILE C 89 -8.471 5.110 -1.181 1.00 0.00 C ATOM 0 H ILE C 89 -9.321 0.444 -1.922 1.00 0.00 H new ATOM 0 HA ILE C 89 -8.660 2.288 -4.130 1.00 0.00 H new ATOM 0 HB ILE C 89 -7.703 2.422 -1.249 1.00 0.00 H new ATOM 0 HG12 ILE C 89 -8.974 4.451 -3.139 1.00 0.00 H new ATOM 0 HG13 ILE C 89 -9.816 3.607 -1.854 1.00 0.00 H new ATOM 0 HG21 ILE C 89 -6.122 4.142 -1.962 1.00 0.00 H new ATOM 0 HG22 ILE C 89 -5.757 2.560 -2.691 1.00 0.00 H new ATOM 0 HG23 ILE C 89 -6.543 3.826 -3.662 1.00 0.00 H new ATOM 0 HD11 ILE C 89 -9.243 5.879 -1.182 1.00 0.00 H new ATOM 0 HD12 ILE C 89 -8.376 4.693 -0.178 1.00 0.00 H new ATOM 0 HD13 ILE C 89 -7.520 5.550 -1.483 1.00 0.00 H new ATOM 1368 N GLU C 90 -6.671 0.950 -4.688 1.00 0.00 N ATOM 1369 CA GLU C 90 -5.699 -0.001 -5.183 1.00 0.00 C ATOM 1370 C GLU C 90 -4.308 0.352 -4.710 1.00 0.00 C ATOM 1371 O GLU C 90 -3.685 1.288 -5.212 1.00 0.00 O ATOM 1372 CB GLU C 90 -5.710 -0.035 -6.703 1.00 0.00 C ATOM 1373 CG GLU C 90 -6.997 -0.581 -7.299 1.00 0.00 C ATOM 1374 CD GLU C 90 -7.260 -2.017 -6.891 1.00 0.00 C ATOM 1375 OE1 GLU C 90 -6.700 -2.935 -7.527 1.00 0.00 O ATOM 1376 OE2 GLU C 90 -8.042 -2.236 -5.944 1.00 0.00 O1- ATOM 0 H GLU C 90 -6.815 1.759 -5.293 1.00 0.00 H new ATOM 0 HA GLU C 90 -5.972 -0.982 -4.794 1.00 0.00 H new ATOM 0 HB2 GLU C 90 -5.547 0.975 -7.080 1.00 0.00 H new ATOM 0 HB3 GLU C 90 -4.874 -0.644 -7.049 1.00 0.00 H new ATOM 0 HG2 GLU C 90 -7.833 0.042 -6.983 1.00 0.00 H new ATOM 0 HG3 GLU C 90 -6.946 -0.519 -8.386 1.00 0.00 H new ATOM 1383 N ILE C 91 -3.847 -0.387 -3.727 1.00 0.00 N ATOM 1384 CA ILE C 91 -2.485 -0.271 -3.261 1.00 0.00 C ATOM 1385 C ILE C 91 -1.679 -1.422 -3.863 1.00 0.00 C ATOM 1386 O ILE C 91 -1.702 -2.534 -3.344 1.00 0.00 O ATOM 1387 CB ILE C 91 -2.460 -0.334 -1.710 1.00 0.00 C ATOM 1388 CG1 ILE C 91 -3.386 0.737 -1.118 1.00 0.00 C ATOM 1389 CG2 ILE C 91 -1.054 -0.167 -1.163 1.00 0.00 C ATOM 1390 CD1 ILE C 91 -2.838 2.143 -1.220 1.00 0.00 C ATOM 0 H ILE C 91 -4.403 -1.083 -3.230 1.00 0.00 H new ATOM 0 HA ILE C 91 -2.050 0.680 -3.569 1.00 0.00 H new ATOM 0 HB ILE C 91 -2.817 -1.321 -1.416 1.00 0.00 H new ATOM 0 HG12 ILE C 91 -4.348 0.694 -1.628 1.00 0.00 H new ATOM 0 HG13 ILE C 91 -3.571 0.504 -0.069 1.00 0.00 H new ATOM 0 HG21 ILE C 91 -1.079 -0.217 -0.074 1.00 0.00 H new ATOM 0 HG22 ILE C 91 -0.417 -0.963 -1.548 1.00 0.00 H new ATOM 0 HG23 ILE C 91 -0.655 0.799 -1.473 1.00 0.00 H new ATOM 0 HD11 ILE C 91 -3.548 2.843 -0.781 1.00 0.00 H new ATOM 0 HD12 ILE C 91 -1.890 2.204 -0.685 1.00 0.00 H new ATOM 0 HD13 ILE C 91 -2.680 2.397 -2.268 1.00 0.00 H new ATOM 1402 N LYS C 92 -0.992 -1.155 -4.979 1.00 0.00 N ATOM 1403 CA LYS C 92 -0.262 -2.193 -5.703 1.00 0.00 C ATOM 1404 C LYS C 92 0.819 -1.566 -6.576 1.00 0.00 C ATOM 1405 O LYS C 92 0.822 -0.363 -6.792 1.00 0.00 O ATOM 1406 CB LYS C 92 -1.244 -2.922 -6.606 1.00 0.00 C ATOM 1407 CG LYS C 92 -1.790 -1.996 -7.675 1.00 0.00 C ATOM 1408 CD LYS C 92 -3.245 -2.255 -7.971 1.00 0.00 C ATOM 1409 CE LYS C 92 -3.436 -3.503 -8.815 1.00 0.00 C ATOM 1410 NZ LYS C 92 -4.856 -3.703 -9.206 1.00 0.00 N1+ ATOM 0 H LYS C 92 -0.928 -0.227 -5.398 1.00 0.00 H new ATOM 0 HA LYS C 92 0.202 -2.875 -4.990 1.00 0.00 H new ATOM 0 HB2 LYS C 92 -0.750 -3.773 -7.075 1.00 0.00 H new ATOM 0 HB3 LYS C 92 -2.066 -3.319 -6.010 1.00 0.00 H new ATOM 0 HG2 LYS C 92 -1.666 -0.962 -7.354 1.00 0.00 H new ATOM 0 HG3 LYS C 92 -1.209 -2.118 -8.589 1.00 0.00 H new ATOM 0 HD2 LYS C 92 -3.793 -2.362 -7.035 1.00 0.00 H new ATOM 0 HD3 LYS C 92 -3.668 -1.396 -8.492 1.00 0.00 H new ATOM 0 HE2 LYS C 92 -2.820 -3.431 -9.712 1.00 0.00 H new ATOM 0 HE3 LYS C 92 -3.088 -4.373 -8.258 1.00 0.00 H new ATOM 0 HZ1 LYS C 92 -5.143 -4.678 -8.985 1.00 0.00 H new ATOM 0 HZ2 LYS C 92 -5.458 -3.037 -8.680 1.00 0.00 H new ATOM 0 HZ3 LYS C 92 -4.962 -3.534 -10.227 1.00 0.00 H new ATOM 1424 N GLN C 93 1.721 -2.369 -7.099 1.00 0.00 N ATOM 1425 CA GLN C 93 2.681 -1.854 -8.059 1.00 0.00 C ATOM 1426 C GLN C 93 2.255 -2.204 -9.473 1.00 0.00 C ATOM 1427 O GLN C 93 1.427 -3.094 -9.682 1.00 0.00 O ATOM 1428 CB GLN C 93 4.101 -2.323 -7.758 1.00 0.00 C ATOM 1429 CG GLN C 93 4.200 -3.752 -7.267 1.00 0.00 C ATOM 1430 CD GLN C 93 5.513 -4.026 -6.565 1.00 0.00 C ATOM 1431 OE1 GLN C 93 5.579 -4.863 -5.666 1.00 0.00 O ATOM 1432 NE2 GLN C 93 6.563 -3.313 -6.951 1.00 0.00 N ATOM 0 H GLN C 93 1.812 -3.362 -6.883 1.00 0.00 H new ATOM 0 HA GLN C 93 2.694 -0.768 -7.970 1.00 0.00 H new ATOM 0 HB2 GLN C 93 4.703 -2.220 -8.661 1.00 0.00 H new ATOM 0 HB3 GLN C 93 4.536 -1.663 -7.007 1.00 0.00 H new ATOM 0 HG2 GLN C 93 3.375 -3.958 -6.585 1.00 0.00 H new ATOM 0 HG3 GLN C 93 4.092 -4.433 -8.111 1.00 0.00 H new ATOM 0 HE21 GLN C 93 6.467 -2.628 -7.701 1.00 0.00 H new ATOM 0 HE22 GLN C 93 7.467 -3.449 -6.498 1.00 0.00 H new ATOM 1441 N ILE C 94 2.827 -1.501 -10.431 1.00 0.00 N ATOM 1442 CA ILE C 94 2.293 -1.469 -11.782 1.00 0.00 C ATOM 1443 C ILE C 94 3.290 -2.001 -12.805 1.00 0.00 C ATOM 1444 O ILE C 94 3.548 -1.309 -13.811 1.00 0.00 O ATOM 1445 CB ILE C 94 1.889 -0.019 -12.124 1.00 0.00 C ATOM 1446 CG1 ILE C 94 2.982 0.958 -11.650 1.00 0.00 C ATOM 1447 CG2 ILE C 94 0.554 0.314 -11.484 1.00 0.00 C ATOM 1448 CD1 ILE C 94 2.505 2.374 -11.406 1.00 0.00 C ATOM 1449 OXT ILE C 94 3.831 -3.105 -12.586 1.00 0.00 O ATOM 0 H ILE C 94 3.668 -0.940 -10.299 1.00 0.00 H new ATOM 0 HA ILE C 94 1.421 -2.121 -11.825 1.00 0.00 H new ATOM 0 HB ILE C 94 1.785 0.079 -13.205 1.00 0.00 H new ATOM 0 HG12 ILE C 94 3.419 0.573 -10.729 1.00 0.00 H new ATOM 0 HG13 ILE C 94 3.777 0.981 -12.395 1.00 0.00 H new ATOM 0 HG21 ILE C 94 0.278 1.339 -11.731 1.00 0.00 H new ATOM 0 HG22 ILE C 94 -0.209 -0.368 -11.859 1.00 0.00 H new ATOM 0 HG23 ILE C 94 0.633 0.210 -10.402 1.00 0.00 H new ATOM 0 HD11 ILE C 94 3.343 2.988 -11.076 1.00 0.00 H new ATOM 0 HD12 ILE C 94 2.096 2.784 -12.329 1.00 0.00 H new ATOM 0 HD13 ILE C 94 1.732 2.370 -10.637 1.00 0.00 H new TER 1461 ILE C 94