USER MOD reduce.3.24.130724 H: found=0, std=0, add=730, rem=0, adj=29 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 : amide:sc= -4.73! K(o=-18!,f=-7.3) USER MOD Set 1.2: C 80 ASN : amide:sc= -13.5! C(o=-18!,f=-7.3!) USER MOD Set 2.1: C 71 THR OG1 : rot -120:sc= 1.02 USER MOD Set 2.2: C 74 ASN : amide:sc= 1.12 X(o=2.1,f=1.7) USER MOD Set 3.1: C 67 ASN : amide:sc= 0.974 K(o=2.2,f=-0.91) USER MOD Set 3.2: C 70 SER OG : rot 19:sc= 1.18 USER MOD Set 4.1: C 35 GLN : amide:sc= 1.02 K(o=2.3,f=-6.4!) USER MOD Set 4.2: C 37 LYS NZ :NH3+ -133:sc= 1.3 (180deg=-0.138) USER MOD Set 5.1: C 14 ASN : amide:sc= -0.546 K(o=-4.2,f=-2.6) USER MOD Set 5.2: C 17 ASN : amide:sc= -3.7! C(o=-4.2!,f=-2.6!) USER MOD Single : C 1 ASP N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 2 ASN : amide:sc= -0.651 K(o=-0.65,f=0) USER MOD Single : C 3 GLN : amide:sc= -1.62! K(o=-1.6!,f=-0.67) USER MOD Single : C 4 LYS NZ :NH3+ -137:sc= -0.0266 (180deg=-0.218) USER MOD Single : C 9 GLN : amide:sc= -3.11! C(o=-3.1!,f=-4.8!) USER MOD Single : C 10 MET CE :methyl -108:sc= -0.418 (180deg=-4.82!) USER MOD Single : C 11 ASN : amide:sc= -0.994 K(o=-0.99,f=-0.011) USER MOD Single : C 12 SER OG : rot 139:sc= 0.032 USER MOD Single : C 15 SER OG : rot -81:sc= 1.11 USER MOD Single : C 19 LYS NZ :NH3+ -105:sc= -0.892 (180deg=-3.1!) USER MOD Single : C 21 ASN : amide:sc= -0.248 K(o=-0.25,f=-2.1!) USER MOD Single : C 22 LYS NZ :NH3+ 171:sc= -0.543 (180deg=-0.731) USER MOD Single : C 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 26 LYS NZ :NH3+ -171:sc= 0.12 (180deg=0.0974) USER MOD Single : C 28 SER OG : rot 180:sc= 0 USER MOD Single : C 30 SER OG : rot 180:sc= 0 USER MOD Single : C 31 MET CE :methyl 165:sc= -0.682 (180deg=-1.77) USER MOD Single : C 32 ASN : amide:sc= -0.887 K(o=-0.89,f=0) USER MOD Single : C 34 ASN : amide:sc=0.000915 K(o=0.00092,f=-0.54) USER MOD Single : C 39 THR OG1 : rot 33:sc= -0.149 USER MOD Single : C 40 SER OG : rot 61:sc= -3.31! USER MOD Single : C 41 SER OG : rot 180:sc= 0.347 USER MOD Single : C 42 ASN : amide:sc= -4.38! C(o=-4.4!,f=-6.1!) USER MOD Single : C 45 TYR OH : rot 180:sc= 0 USER MOD Single : C 48 SER OG : rot 180:sc= -0.0373 USER MOD Single : C 49 TYR OH : rot 180:sc= 0 USER MOD Single : C 52 LYS NZ :NH3+ 170:sc=-0.00126 (180deg=-0.0844) USER MOD Single : C 53 ASN : amide:sc= -2.77! K(o=-2.8!,f=-0.37) USER MOD Single : C 59 ASN : amide:sc= -0.308 K(o=-0.31,f=-5.8!) USER MOD Single : C 62 LYS NZ :NH3+ 172:sc= -0.0077 (180deg=-0.0949) USER MOD Single : C 64 TYR OH : rot 180:sc= 0 USER MOD Single : C 65 THR OG1 : rot 17:sc= 1.18 USER MOD Single : C 69 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0266) USER MOD Single : C 76 SER OG : rot 64:sc= 0.791 USER MOD Single : C 81 LYS NZ :NH3+ 171:sc=-0.00976 (180deg=-0.135) USER MOD Single : C 83 ASN : amide:sc= -5.9! C(o=-5.9!,f=-2.4!) USER MOD Single : C 85 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.016) USER MOD Single : C 88 TYR OH : rot 180:sc= 0 USER MOD Single : C 92 LYS NZ :NH3+ -163:sc= -0.0544 (180deg=-0.362) USER MOD Single : C 93 GLN : amide:sc= -2.04 K(o=-2,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP C 1 -16.429 -3.938 12.659 1.00 0.00 N ATOM 2 CA ASP C 1 -16.130 -4.892 11.566 1.00 0.00 C ATOM 3 C ASP C 1 -17.322 -5.019 10.624 1.00 0.00 C ATOM 4 O ASP C 1 -18.407 -5.432 11.032 1.00 0.00 O ATOM 5 CB ASP C 1 -15.768 -6.264 12.145 1.00 0.00 C ATOM 6 CG ASP C 1 -15.723 -7.354 11.091 1.00 0.00 C ATOM 7 OD1 ASP C 1 -16.727 -8.082 10.944 1.00 0.00 O ATOM 8 OD2 ASP C 1 -14.683 -7.490 10.408 1.00 0.00 O1- ATOM 0 H1 ASP C 1 -15.606 -3.864 13.290 1.00 0.00 H new ATOM 0 H2 ASP C 1 -16.641 -3.003 12.256 1.00 0.00 H new ATOM 0 H3 ASP C 1 -17.251 -4.276 13.199 1.00 0.00 H new ATOM 0 HA ASP C 1 -15.280 -4.512 11.000 1.00 0.00 H new ATOM 0 HB2 ASP C 1 -14.798 -6.201 12.637 1.00 0.00 H new ATOM 0 HB3 ASP C 1 -16.496 -6.534 12.910 1.00 0.00 H new ATOM 13 N ASN C 2 -17.118 -4.653 9.366 1.00 0.00 N ATOM 14 CA ASN C 2 -18.179 -4.725 8.366 1.00 0.00 C ATOM 15 C ASN C 2 -17.592 -4.949 6.980 1.00 0.00 C ATOM 16 O ASN C 2 -18.297 -5.321 6.044 1.00 0.00 O ATOM 17 CB ASN C 2 -19.038 -3.453 8.380 1.00 0.00 C ATOM 18 CG ASN C 2 -18.251 -2.197 8.056 1.00 0.00 C ATOM 19 OD1 ASN C 2 -17.711 -1.542 8.948 1.00 0.00 O ATOM 20 ND2 ASN C 2 -18.182 -1.851 6.782 1.00 0.00 N ATOM 0 H ASN C 2 -16.228 -4.303 9.012 1.00 0.00 H new ATOM 0 HA ASN C 2 -18.819 -5.571 8.617 1.00 0.00 H new ATOM 0 HB2 ASN C 2 -19.849 -3.562 7.660 1.00 0.00 H new ATOM 0 HB3 ASN C 2 -19.497 -3.343 9.362 1.00 0.00 H new ATOM 0 HD21 ASN C 2 -17.667 -1.014 6.508 1.00 0.00 H new ATOM 0 HD22 ASN C 2 -18.643 -2.421 6.073 1.00 0.00 H new ATOM 27 N GLN C 3 -16.289 -4.733 6.860 1.00 0.00 N ATOM 28 CA GLN C 3 -15.572 -4.985 5.621 1.00 0.00 C ATOM 29 C GLN C 3 -15.243 -6.463 5.491 1.00 0.00 C ATOM 30 O GLN C 3 -14.493 -6.874 4.610 1.00 0.00 O ATOM 31 CB GLN C 3 -14.288 -4.175 5.582 1.00 0.00 C ATOM 32 CG GLN C 3 -14.496 -2.703 5.280 1.00 0.00 C ATOM 33 CD GLN C 3 -13.364 -1.838 5.805 1.00 0.00 C ATOM 34 OE1 GLN C 3 -12.998 -0.838 5.192 1.00 0.00 O ATOM 35 NE2 GLN C 3 -12.837 -2.188 6.971 1.00 0.00 N ATOM 0 H GLN C 3 -15.703 -4.380 7.616 1.00 0.00 H new ATOM 0 HA GLN C 3 -16.210 -4.687 4.789 1.00 0.00 H new ATOM 0 HB2 GLN C 3 -13.781 -4.270 6.542 1.00 0.00 H new ATOM 0 HB3 GLN C 3 -13.625 -4.600 4.828 1.00 0.00 H new ATOM 0 HG2 GLN C 3 -14.585 -2.565 4.202 1.00 0.00 H new ATOM 0 HG3 GLN C 3 -15.436 -2.374 5.722 1.00 0.00 H new ATOM 0 HE21 GLN C 3 -13.168 -3.026 7.449 1.00 0.00 H new ATOM 0 HE22 GLN C 3 -12.101 -1.619 7.389 1.00 0.00 H new ATOM 44 N LYS C 4 -15.797 -7.243 6.399 1.00 0.00 N ATOM 45 CA LYS C 4 -15.640 -8.684 6.387 1.00 0.00 C ATOM 46 C LYS C 4 -16.262 -9.261 5.115 1.00 0.00 C ATOM 47 O LYS C 4 -15.673 -10.116 4.458 1.00 0.00 O ATOM 48 CB LYS C 4 -16.297 -9.267 7.644 1.00 0.00 C ATOM 49 CG LYS C 4 -15.801 -10.651 8.048 1.00 0.00 C ATOM 50 CD LYS C 4 -16.324 -11.747 7.132 1.00 0.00 C ATOM 51 CE LYS C 4 -15.886 -13.123 7.608 1.00 0.00 C ATOM 52 NZ LYS C 4 -14.407 -13.240 7.690 1.00 0.00 N1+ ATOM 0 H LYS C 4 -16.370 -6.894 7.167 1.00 0.00 H new ATOM 0 HA LYS C 4 -14.583 -8.949 6.391 1.00 0.00 H new ATOM 0 HB2 LYS C 4 -16.130 -8.581 8.474 1.00 0.00 H new ATOM 0 HB3 LYS C 4 -17.374 -9.316 7.483 1.00 0.00 H new ATOM 0 HG2 LYS C 4 -14.711 -10.661 8.036 1.00 0.00 H new ATOM 0 HG3 LYS C 4 -16.110 -10.860 9.072 1.00 0.00 H new ATOM 0 HD2 LYS C 4 -17.412 -11.703 7.094 1.00 0.00 H new ATOM 0 HD3 LYS C 4 -15.962 -11.579 6.118 1.00 0.00 H new ATOM 0 HE2 LYS C 4 -16.320 -13.323 8.588 1.00 0.00 H new ATOM 0 HE3 LYS C 4 -16.272 -13.882 6.927 1.00 0.00 H new ATOM 0 HZ1 LYS C 4 -14.109 -14.158 7.302 1.00 0.00 H new ATOM 0 HZ2 LYS C 4 -13.967 -12.473 7.142 1.00 0.00 H new ATOM 0 HZ3 LYS C 4 -14.108 -13.171 8.684 1.00 0.00 H new ATOM 66 N ALA C 5 -17.453 -8.785 4.771 1.00 0.00 N ATOM 67 CA ALA C 5 -18.120 -9.212 3.546 1.00 0.00 C ATOM 68 C ALA C 5 -17.750 -8.308 2.381 1.00 0.00 C ATOM 69 O ALA C 5 -17.731 -8.733 1.226 1.00 0.00 O ATOM 70 CB ALA C 5 -19.629 -9.224 3.736 1.00 0.00 C ATOM 0 H ALA C 5 -17.976 -8.104 5.322 1.00 0.00 H new ATOM 0 HA ALA C 5 -17.785 -10.224 3.318 1.00 0.00 H new ATOM 0 HB1 ALA C 5 -20.110 -9.545 2.812 1.00 0.00 H new ATOM 0 HB2 ALA C 5 -19.889 -9.914 4.539 1.00 0.00 H new ATOM 0 HB3 ALA C 5 -19.971 -8.222 3.994 1.00 0.00 H new ATOM 76 N LEU C 6 -17.446 -7.063 2.695 1.00 0.00 N ATOM 77 CA LEU C 6 -17.175 -6.061 1.676 1.00 0.00 C ATOM 78 C LEU C 6 -15.770 -6.233 1.110 1.00 0.00 C ATOM 79 O LEU C 6 -14.829 -6.543 1.837 1.00 0.00 O ATOM 80 CB LEU C 6 -17.358 -4.662 2.261 1.00 0.00 C ATOM 81 CG LEU C 6 -18.718 -4.423 2.924 1.00 0.00 C ATOM 82 CD1 LEU C 6 -18.756 -3.069 3.612 1.00 0.00 C ATOM 83 CD2 LEU C 6 -19.838 -4.532 1.900 1.00 0.00 C ATOM 0 H LEU C 6 -17.380 -6.718 3.653 1.00 0.00 H new ATOM 0 HA LEU C 6 -17.883 -6.192 0.857 1.00 0.00 H new ATOM 0 HB2 LEU C 6 -16.573 -4.484 2.996 1.00 0.00 H new ATOM 0 HB3 LEU C 6 -17.222 -3.929 1.466 1.00 0.00 H new ATOM 0 HG LEU C 6 -18.865 -5.193 3.682 1.00 0.00 H new ATOM 0 HD11 LEU C 6 -19.732 -2.923 4.075 1.00 0.00 H new ATOM 0 HD12 LEU C 6 -17.981 -3.028 4.378 1.00 0.00 H new ATOM 0 HD13 LEU C 6 -18.582 -2.283 2.878 1.00 0.00 H new ATOM 0 HD21 LEU C 6 -20.797 -4.359 2.389 1.00 0.00 H new ATOM 0 HD22 LEU C 6 -19.690 -3.787 1.118 1.00 0.00 H new ATOM 0 HD23 LEU C 6 -19.831 -5.528 1.458 1.00 0.00 H new ATOM 95 N GLU C 7 -15.632 -6.007 -0.187 1.00 0.00 N ATOM 96 CA GLU C 7 -14.392 -6.296 -0.903 1.00 0.00 C ATOM 97 C GLU C 7 -13.319 -5.235 -0.663 1.00 0.00 C ATOM 98 O GLU C 7 -12.391 -5.102 -1.459 1.00 0.00 O ATOM 99 CB GLU C 7 -14.655 -6.410 -2.411 1.00 0.00 C ATOM 100 CG GLU C 7 -15.625 -7.517 -2.809 1.00 0.00 C ATOM 101 CD GLU C 7 -17.063 -7.215 -2.445 1.00 0.00 C ATOM 102 OE1 GLU C 7 -17.419 -6.019 -2.348 1.00 0.00 O ATOM 103 OE2 GLU C 7 -17.849 -8.168 -2.271 1.00 0.00 O1- ATOM 0 H GLU C 7 -16.371 -5.620 -0.774 1.00 0.00 H new ATOM 0 HA GLU C 7 -14.023 -7.245 -0.514 1.00 0.00 H new ATOM 0 HB2 GLU C 7 -15.045 -5.458 -2.771 1.00 0.00 H new ATOM 0 HB3 GLU C 7 -13.706 -6.578 -2.919 1.00 0.00 H new ATOM 0 HG2 GLU C 7 -15.557 -7.681 -3.885 1.00 0.00 H new ATOM 0 HG3 GLU C 7 -15.323 -8.446 -2.326 1.00 0.00 H new ATOM 110 N GLU C 8 -13.422 -4.499 0.435 1.00 0.00 N ATOM 111 CA GLU C 8 -12.489 -3.435 0.714 1.00 0.00 C ATOM 112 C GLU C 8 -11.256 -4.008 1.395 1.00 0.00 C ATOM 113 O GLU C 8 -10.130 -3.625 1.093 1.00 0.00 O ATOM 114 CB GLU C 8 -13.172 -2.383 1.589 1.00 0.00 C ATOM 115 CG GLU C 8 -14.423 -1.806 0.941 1.00 0.00 C ATOM 116 CD GLU C 8 -15.266 -0.974 1.885 1.00 0.00 C ATOM 117 OE1 GLU C 8 -15.110 0.266 1.904 1.00 0.00 O ATOM 118 OE2 GLU C 8 -16.125 -1.550 2.578 1.00 0.00 O1- ATOM 0 H GLU C 8 -14.145 -4.625 1.143 1.00 0.00 H new ATOM 0 HA GLU C 8 -12.172 -2.957 -0.213 1.00 0.00 H new ATOM 0 HB2 GLU C 8 -13.437 -2.829 2.548 1.00 0.00 H new ATOM 0 HB3 GLU C 8 -12.469 -1.576 1.796 1.00 0.00 H new ATOM 0 HG2 GLU C 8 -14.131 -1.191 0.090 1.00 0.00 H new ATOM 0 HG3 GLU C 8 -15.029 -2.623 0.550 1.00 0.00 H new ATOM 125 N GLN C 9 -11.484 -4.955 2.296 1.00 0.00 N ATOM 126 CA GLN C 9 -10.399 -5.576 3.056 1.00 0.00 C ATOM 127 C GLN C 9 -10.200 -7.028 2.642 1.00 0.00 C ATOM 128 O GLN C 9 -9.552 -7.804 3.348 1.00 0.00 O ATOM 129 CB GLN C 9 -10.684 -5.521 4.559 1.00 0.00 C ATOM 130 CG GLN C 9 -10.852 -4.117 5.112 1.00 0.00 C ATOM 131 CD GLN C 9 -9.718 -3.192 4.728 1.00 0.00 C ATOM 132 OE1 GLN C 9 -8.703 -3.113 5.420 1.00 0.00 O ATOM 133 NE2 GLN C 9 -9.892 -2.478 3.628 1.00 0.00 N ATOM 0 H GLN C 9 -12.412 -5.313 2.521 1.00 0.00 H new ATOM 0 HA GLN C 9 -9.491 -5.014 2.839 1.00 0.00 H new ATOM 0 HB2 GLN C 9 -11.589 -6.091 4.766 1.00 0.00 H new ATOM 0 HB3 GLN C 9 -9.869 -6.013 5.090 1.00 0.00 H new ATOM 0 HG2 GLN C 9 -11.792 -3.700 4.751 1.00 0.00 H new ATOM 0 HG3 GLN C 9 -10.922 -4.166 6.199 1.00 0.00 H new ATOM 0 HE21 GLN C 9 -10.750 -2.577 3.086 1.00 0.00 H new ATOM 0 HE22 GLN C 9 -9.168 -1.828 3.322 1.00 0.00 H new ATOM 142 N MET C 10 -10.764 -7.395 1.504 1.00 0.00 N ATOM 143 CA MET C 10 -10.703 -8.774 1.039 1.00 0.00 C ATOM 144 C MET C 10 -9.470 -9.005 0.170 1.00 0.00 C ATOM 145 O MET C 10 -8.466 -8.299 0.313 1.00 0.00 O ATOM 146 CB MET C 10 -11.981 -9.139 0.277 1.00 0.00 C ATOM 147 CG MET C 10 -13.231 -9.207 1.146 1.00 0.00 C ATOM 148 SD MET C 10 -13.083 -10.388 2.505 1.00 0.00 S ATOM 149 CE MET C 10 -12.500 -9.331 3.831 1.00 0.00 C ATOM 0 H MET C 10 -11.269 -6.761 0.885 1.00 0.00 H new ATOM 0 HA MET C 10 -10.624 -9.424 1.911 1.00 0.00 H new ATOM 0 HB2 MET C 10 -12.141 -8.405 -0.513 1.00 0.00 H new ATOM 0 HB3 MET C 10 -11.837 -10.104 -0.209 1.00 0.00 H new ATOM 0 HG2 MET C 10 -13.438 -8.217 1.553 1.00 0.00 H new ATOM 0 HG3 MET C 10 -14.084 -9.481 0.525 1.00 0.00 H new ATOM 0 HE1 MET C 10 -11.452 -9.549 4.036 1.00 0.00 H new ATOM 0 HE2 MET C 10 -12.602 -8.287 3.535 1.00 0.00 H new ATOM 0 HE3 MET C 10 -13.091 -9.513 4.728 1.00 0.00 H new ATOM 159 N ASN C 11 -9.552 -9.985 -0.730 1.00 0.00 N ATOM 160 CA ASN C 11 -8.418 -10.396 -1.565 1.00 0.00 C ATOM 161 C ASN C 11 -7.768 -9.213 -2.270 1.00 0.00 C ATOM 162 O ASN C 11 -6.573 -9.247 -2.563 1.00 0.00 O ATOM 163 CB ASN C 11 -8.864 -11.424 -2.604 1.00 0.00 C ATOM 164 CG ASN C 11 -9.349 -12.720 -1.982 1.00 0.00 C ATOM 165 OD1 ASN C 11 -10.251 -13.367 -2.508 1.00 0.00 O ATOM 166 ND2 ASN C 11 -8.747 -13.120 -0.870 1.00 0.00 N ATOM 0 H ASN C 11 -10.405 -10.517 -0.902 1.00 0.00 H new ATOM 0 HA ASN C 11 -7.678 -10.842 -0.900 1.00 0.00 H new ATOM 0 HB2 ASN C 11 -9.663 -10.997 -3.211 1.00 0.00 H new ATOM 0 HB3 ASN C 11 -8.033 -11.638 -3.276 1.00 0.00 H new ATOM 0 HD21 ASN C 11 -9.029 -13.992 -0.422 1.00 0.00 H new ATOM 0 HD22 ASN C 11 -8.001 -12.556 -0.462 1.00 0.00 H new ATOM 173 N SER C 12 -8.561 -8.180 -2.530 1.00 0.00 N ATOM 174 CA SER C 12 -8.079 -6.957 -3.158 1.00 0.00 C ATOM 175 C SER C 12 -6.797 -6.451 -2.495 1.00 0.00 C ATOM 176 O SER C 12 -5.802 -6.201 -3.172 1.00 0.00 O ATOM 177 CB SER C 12 -9.171 -5.887 -3.090 1.00 0.00 C ATOM 178 OG SER C 12 -10.378 -6.359 -3.673 1.00 0.00 O ATOM 0 H SER C 12 -9.557 -8.167 -2.311 1.00 0.00 H new ATOM 0 HA SER C 12 -7.843 -7.175 -4.199 1.00 0.00 H new ATOM 0 HB2 SER C 12 -9.349 -5.608 -2.051 1.00 0.00 H new ATOM 0 HB3 SER C 12 -8.838 -4.988 -3.609 1.00 0.00 H new ATOM 0 HG SER C 12 -11.139 -6.072 -3.126 1.00 0.00 H new ATOM 184 N ILE C 13 -6.815 -6.304 -1.173 1.00 0.00 N ATOM 185 CA ILE C 13 -5.629 -5.842 -0.461 1.00 0.00 C ATOM 186 C ILE C 13 -4.762 -7.006 0.011 1.00 0.00 C ATOM 187 O ILE C 13 -3.572 -6.835 0.234 1.00 0.00 O ATOM 188 CB ILE C 13 -5.963 -4.960 0.760 1.00 0.00 C ATOM 189 CG1 ILE C 13 -6.701 -5.766 1.826 1.00 0.00 C ATOM 190 CG2 ILE C 13 -6.782 -3.747 0.345 1.00 0.00 C ATOM 191 CD1 ILE C 13 -6.633 -5.134 3.194 1.00 0.00 C ATOM 0 H ILE C 13 -7.624 -6.495 -0.582 1.00 0.00 H new ATOM 0 HA ILE C 13 -5.082 -5.240 -1.187 1.00 0.00 H new ATOM 0 HB ILE C 13 -5.024 -4.608 1.187 1.00 0.00 H new ATOM 0 HG12 ILE C 13 -7.745 -5.875 1.533 1.00 0.00 H new ATOM 0 HG13 ILE C 13 -6.277 -6.769 1.874 1.00 0.00 H new ATOM 0 HG21 ILE C 13 -7.005 -3.141 1.223 1.00 0.00 H new ATOM 0 HG22 ILE C 13 -6.215 -3.153 -0.372 1.00 0.00 H new ATOM 0 HG23 ILE C 13 -7.714 -4.077 -0.114 1.00 0.00 H new ATOM 0 HD11 ILE C 13 -7.176 -5.753 3.908 1.00 0.00 H new ATOM 0 HD12 ILE C 13 -5.592 -5.050 3.505 1.00 0.00 H new ATOM 0 HD13 ILE C 13 -7.083 -4.142 3.159 1.00 0.00 H new ATOM 203 N ASN C 14 -5.351 -8.184 0.170 1.00 0.00 N ATOM 204 CA ASN C 14 -4.627 -9.324 0.743 1.00 0.00 C ATOM 205 C ASN C 14 -3.557 -9.845 -0.200 1.00 0.00 C ATOM 206 O ASN C 14 -2.460 -10.199 0.234 1.00 0.00 O ATOM 207 CB ASN C 14 -5.573 -10.459 1.089 1.00 0.00 C ATOM 208 CG ASN C 14 -6.587 -10.101 2.163 1.00 0.00 C ATOM 209 OD1 ASN C 14 -7.694 -10.638 2.185 1.00 0.00 O ATOM 210 ND2 ASN C 14 -6.221 -9.199 3.064 1.00 0.00 N ATOM 0 H ASN C 14 -6.319 -8.380 -0.085 1.00 0.00 H new ATOM 0 HA ASN C 14 -4.149 -8.960 1.652 1.00 0.00 H new ATOM 0 HB2 ASN C 14 -6.104 -10.766 0.188 1.00 0.00 H new ATOM 0 HB3 ASN C 14 -4.990 -11.317 1.423 1.00 0.00 H new ATOM 0 HD21 ASN C 14 -6.866 -8.929 3.807 1.00 0.00 H new ATOM 0 HD22 ASN C 14 -5.295 -8.775 3.014 1.00 0.00 H new ATOM 217 N SER C 15 -3.874 -9.902 -1.490 1.00 0.00 N ATOM 218 CA SER C 15 -2.888 -10.287 -2.490 1.00 0.00 C ATOM 219 C SER C 15 -1.747 -9.283 -2.467 1.00 0.00 C ATOM 220 O SER C 15 -0.589 -9.608 -2.732 1.00 0.00 O ATOM 221 CB SER C 15 -3.540 -10.338 -3.879 1.00 0.00 C ATOM 222 OG SER C 15 -4.292 -9.160 -4.123 1.00 0.00 O ATOM 0 H SER C 15 -4.799 -9.688 -1.864 1.00 0.00 H new ATOM 0 HA SER C 15 -2.497 -11.279 -2.264 1.00 0.00 H new ATOM 0 HB2 SER C 15 -2.771 -10.449 -4.643 1.00 0.00 H new ATOM 0 HB3 SER C 15 -4.189 -11.211 -3.950 1.00 0.00 H new ATOM 0 HG SER C 15 -5.169 -9.237 -3.693 1.00 0.00 H new ATOM 228 N VAL C 16 -2.103 -8.055 -2.127 1.00 0.00 N ATOM 229 CA VAL C 16 -1.139 -6.999 -1.918 1.00 0.00 C ATOM 230 C VAL C 16 -0.342 -7.257 -0.641 1.00 0.00 C ATOM 231 O VAL C 16 0.872 -7.074 -0.613 1.00 0.00 O ATOM 232 CB VAL C 16 -1.838 -5.627 -1.822 1.00 0.00 C ATOM 233 CG1 VAL C 16 -0.826 -4.525 -1.588 1.00 0.00 C ATOM 234 CG2 VAL C 16 -2.648 -5.350 -3.077 1.00 0.00 C ATOM 0 H VAL C 16 -3.072 -7.767 -1.989 1.00 0.00 H new ATOM 0 HA VAL C 16 -0.461 -6.987 -2.772 1.00 0.00 H new ATOM 0 HB VAL C 16 -2.520 -5.651 -0.972 1.00 0.00 H new ATOM 0 HG11 VAL C 16 -1.340 -3.566 -1.524 1.00 0.00 H new ATOM 0 HG12 VAL C 16 -0.292 -4.713 -0.657 1.00 0.00 H new ATOM 0 HG13 VAL C 16 -0.116 -4.501 -2.415 1.00 0.00 H new ATOM 0 HG21 VAL C 16 -3.133 -4.378 -2.990 1.00 0.00 H new ATOM 0 HG22 VAL C 16 -1.987 -5.349 -3.944 1.00 0.00 H new ATOM 0 HG23 VAL C 16 -3.406 -6.124 -3.199 1.00 0.00 H new ATOM 244 N ASN C 17 -1.022 -7.727 0.405 1.00 0.00 N ATOM 245 CA ASN C 17 -0.380 -7.931 1.703 1.00 0.00 C ATOM 246 C ASN C 17 0.735 -8.960 1.590 1.00 0.00 C ATOM 247 O ASN C 17 1.857 -8.727 2.046 1.00 0.00 O ATOM 248 CB ASN C 17 -1.395 -8.384 2.761 1.00 0.00 C ATOM 249 CG ASN C 17 -2.481 -7.358 3.030 1.00 0.00 C ATOM 250 OD1 ASN C 17 -3.609 -7.710 3.381 1.00 0.00 O ATOM 251 ND2 ASN C 17 -2.158 -6.081 2.869 1.00 0.00 N ATOM 0 H ASN C 17 -2.012 -7.972 0.379 1.00 0.00 H new ATOM 0 HA ASN C 17 0.042 -6.976 2.016 1.00 0.00 H new ATOM 0 HB2 ASN C 17 -1.858 -9.316 2.435 1.00 0.00 H new ATOM 0 HB3 ASN C 17 -0.869 -8.598 3.691 1.00 0.00 H new ATOM 0 HD21 ASN C 17 -2.853 -5.354 3.037 1.00 0.00 H new ATOM 0 HD22 ASN C 17 -1.214 -5.826 2.577 1.00 0.00 H new ATOM 258 N ASP C 18 0.426 -10.082 0.951 1.00 0.00 N ATOM 259 CA ASP C 18 1.395 -11.161 0.764 1.00 0.00 C ATOM 260 C ASP C 18 2.483 -10.770 -0.228 1.00 0.00 C ATOM 261 O ASP C 18 3.538 -11.399 -0.286 1.00 0.00 O ATOM 262 CB ASP C 18 0.703 -12.437 0.279 1.00 0.00 C ATOM 263 CG ASP C 18 0.118 -13.253 1.412 1.00 0.00 C ATOM 264 OD1 ASP C 18 -1.125 -13.272 1.562 1.00 0.00 O ATOM 265 OD2 ASP C 18 0.896 -13.888 2.158 1.00 0.00 O1- ATOM 0 H ASP C 18 -0.493 -10.271 0.551 1.00 0.00 H new ATOM 0 HA ASP C 18 1.857 -11.347 1.734 1.00 0.00 H new ATOM 0 HB2 ASP C 18 -0.091 -12.172 -0.419 1.00 0.00 H new ATOM 0 HB3 ASP C 18 1.420 -13.047 -0.270 1.00 0.00 H new ATOM 270 N LYS C 19 2.229 -9.728 -1.000 1.00 0.00 N ATOM 271 CA LYS C 19 3.169 -9.288 -2.015 1.00 0.00 C ATOM 272 C LYS C 19 4.153 -8.292 -1.419 1.00 0.00 C ATOM 273 O LYS C 19 5.345 -8.310 -1.724 1.00 0.00 O ATOM 274 CB LYS C 19 2.409 -8.654 -3.182 1.00 0.00 C ATOM 275 CG LYS C 19 3.300 -8.162 -4.308 1.00 0.00 C ATOM 276 CD LYS C 19 2.501 -7.516 -5.435 1.00 0.00 C ATOM 277 CE LYS C 19 1.739 -8.537 -6.278 1.00 0.00 C ATOM 278 NZ LYS C 19 0.483 -9.005 -5.628 1.00 0.00 N1+ ATOM 0 H LYS C 19 1.377 -9.170 -0.943 1.00 0.00 H new ATOM 0 HA LYS C 19 3.728 -10.148 -2.384 1.00 0.00 H new ATOM 0 HB2 LYS C 19 1.705 -9.384 -3.582 1.00 0.00 H new ATOM 0 HB3 LYS C 19 1.821 -7.817 -2.806 1.00 0.00 H new ATOM 0 HG2 LYS C 19 4.016 -7.441 -3.914 1.00 0.00 H new ATOM 0 HG3 LYS C 19 3.875 -8.998 -4.706 1.00 0.00 H new ATOM 0 HD2 LYS C 19 1.795 -6.802 -5.011 1.00 0.00 H new ATOM 0 HD3 LYS C 19 3.177 -6.953 -6.078 1.00 0.00 H new ATOM 0 HE2 LYS C 19 1.499 -8.095 -7.245 1.00 0.00 H new ATOM 0 HE3 LYS C 19 2.384 -9.395 -6.471 1.00 0.00 H new ATOM 0 HZ1 LYS C 19 0.622 -9.967 -5.257 1.00 0.00 H new ATOM 0 HZ2 LYS C 19 0.237 -8.364 -4.846 1.00 0.00 H new ATOM 0 HZ3 LYS C 19 -0.288 -9.011 -6.326 1.00 0.00 H new ATOM 292 N LEU C 20 3.637 -7.442 -0.547 1.00 0.00 N ATOM 293 CA LEU C 20 4.422 -6.380 0.063 1.00 0.00 C ATOM 294 C LEU C 20 5.251 -6.908 1.223 1.00 0.00 C ATOM 295 O LEU C 20 6.356 -6.432 1.478 1.00 0.00 O ATOM 296 CB LEU C 20 3.487 -5.272 0.536 1.00 0.00 C ATOM 297 CG LEU C 20 2.616 -4.661 -0.565 1.00 0.00 C ATOM 298 CD1 LEU C 20 1.939 -3.392 -0.083 1.00 0.00 C ATOM 299 CD2 LEU C 20 3.436 -4.388 -1.810 1.00 0.00 C ATOM 0 H LEU C 20 2.664 -7.468 -0.242 1.00 0.00 H new ATOM 0 HA LEU C 20 5.113 -5.981 -0.680 1.00 0.00 H new ATOM 0 HB2 LEU C 20 2.838 -5.670 1.316 1.00 0.00 H new ATOM 0 HB3 LEU C 20 4.083 -4.481 0.991 1.00 0.00 H new ATOM 0 HG LEU C 20 1.840 -5.383 -0.817 1.00 0.00 H new ATOM 0 HD11 LEU C 20 1.327 -2.979 -0.885 1.00 0.00 H new ATOM 0 HD12 LEU C 20 1.307 -3.620 0.775 1.00 0.00 H new ATOM 0 HD13 LEU C 20 2.696 -2.663 0.207 1.00 0.00 H new ATOM 0 HD21 LEU C 20 2.797 -3.954 -2.579 1.00 0.00 H new ATOM 0 HD22 LEU C 20 4.240 -3.692 -1.571 1.00 0.00 H new ATOM 0 HD23 LEU C 20 3.862 -5.322 -2.177 1.00 0.00 H new ATOM 311 N ASN C 21 4.718 -7.895 1.921 1.00 0.00 N ATOM 312 CA ASN C 21 5.458 -8.556 2.985 1.00 0.00 C ATOM 313 C ASN C 21 6.405 -9.588 2.377 1.00 0.00 C ATOM 314 O ASN C 21 6.279 -10.787 2.618 1.00 0.00 O ATOM 315 CB ASN C 21 4.498 -9.220 3.984 1.00 0.00 C ATOM 316 CG ASN C 21 3.865 -8.227 4.948 1.00 0.00 C ATOM 317 OD1 ASN C 21 4.381 -7.993 6.040 1.00 0.00 O ATOM 318 ND2 ASN C 21 2.741 -7.635 4.564 1.00 0.00 N ATOM 0 H ASN C 21 3.776 -8.257 1.772 1.00 0.00 H new ATOM 0 HA ASN C 21 6.041 -7.813 3.530 1.00 0.00 H new ATOM 0 HB2 ASN C 21 3.711 -9.737 3.435 1.00 0.00 H new ATOM 0 HB3 ASN C 21 5.040 -9.976 4.553 1.00 0.00 H new ATOM 0 HD21 ASN C 21 2.281 -6.965 5.181 1.00 0.00 H new ATOM 0 HD22 ASN C 21 2.337 -7.850 3.652 1.00 0.00 H new ATOM 325 N LYS C 22 7.346 -9.108 1.569 1.00 0.00 N ATOM 326 CA LYS C 22 8.241 -9.987 0.822 1.00 0.00 C ATOM 327 C LYS C 22 9.522 -10.309 1.583 1.00 0.00 C ATOM 328 O LYS C 22 10.156 -11.330 1.326 1.00 0.00 O ATOM 329 CB LYS C 22 8.569 -9.395 -0.561 1.00 0.00 C ATOM 330 CG LYS C 22 8.521 -7.872 -0.645 1.00 0.00 C ATOM 331 CD LYS C 22 9.658 -7.200 0.111 1.00 0.00 C ATOM 332 CE LYS C 22 9.547 -5.687 0.030 1.00 0.00 C ATOM 333 NZ LYS C 22 9.706 -5.186 -1.358 1.00 0.00 N1+ ATOM 0 H LYS C 22 7.509 -8.113 1.414 1.00 0.00 H new ATOM 0 HA LYS C 22 7.707 -10.927 0.685 1.00 0.00 H new ATOM 0 HB2 LYS C 22 9.565 -9.728 -0.854 1.00 0.00 H new ATOM 0 HB3 LYS C 22 7.869 -9.805 -1.289 1.00 0.00 H new ATOM 0 HG2 LYS C 22 8.559 -7.570 -1.692 1.00 0.00 H new ATOM 0 HG3 LYS C 22 7.569 -7.521 -0.246 1.00 0.00 H new ATOM 0 HD2 LYS C 22 9.641 -7.514 1.155 1.00 0.00 H new ATOM 0 HD3 LYS C 22 10.614 -7.521 -0.303 1.00 0.00 H new ATOM 0 HE2 LYS C 22 8.578 -5.374 0.418 1.00 0.00 H new ATOM 0 HE3 LYS C 22 10.307 -5.234 0.667 1.00 0.00 H new ATOM 0 HZ1 LYS C 22 9.473 -4.173 -1.390 1.00 0.00 H new ATOM 0 HZ2 LYS C 22 10.689 -5.325 -1.667 1.00 0.00 H new ATOM 0 HZ3 LYS C 22 9.067 -5.708 -1.991 1.00 0.00 H new ATOM 347 N GLY C 23 9.910 -9.451 2.511 1.00 0.00 N ATOM 348 CA GLY C 23 11.116 -9.704 3.271 1.00 0.00 C ATOM 349 C GLY C 23 11.796 -8.430 3.708 1.00 0.00 C ATOM 350 O GLY C 23 11.695 -8.035 4.869 1.00 0.00 O ATOM 0 H GLY C 23 9.417 -8.591 2.751 1.00 0.00 H new ATOM 0 HA2 GLY C 23 10.871 -10.302 4.149 1.00 0.00 H new ATOM 0 HA3 GLY C 23 11.806 -10.293 2.667 1.00 0.00 H new ATOM 354 N LYS C 24 12.491 -7.785 2.781 1.00 0.00 N ATOM 355 CA LYS C 24 13.138 -6.511 3.066 1.00 0.00 C ATOM 356 C LYS C 24 12.140 -5.390 2.909 1.00 0.00 C ATOM 357 O LYS C 24 11.933 -4.871 1.823 1.00 0.00 O ATOM 358 CB LYS C 24 14.350 -6.286 2.161 1.00 0.00 C ATOM 359 CG LYS C 24 15.660 -6.748 2.777 1.00 0.00 C ATOM 360 CD LYS C 24 15.582 -8.199 3.214 1.00 0.00 C ATOM 361 CE LYS C 24 15.468 -9.135 2.019 1.00 0.00 C ATOM 362 NZ LYS C 24 15.415 -10.560 2.433 1.00 0.00 N1+ ATOM 0 H LYS C 24 12.621 -8.122 1.827 1.00 0.00 H new ATOM 0 HA LYS C 24 13.499 -6.529 4.094 1.00 0.00 H new ATOM 0 HB2 LYS C 24 14.194 -6.814 1.220 1.00 0.00 H new ATOM 0 HB3 LYS C 24 14.424 -5.225 1.923 1.00 0.00 H new ATOM 0 HG2 LYS C 24 16.467 -6.626 2.054 1.00 0.00 H new ATOM 0 HG3 LYS C 24 15.903 -6.120 3.634 1.00 0.00 H new ATOM 0 HD2 LYS C 24 16.469 -8.454 3.794 1.00 0.00 H new ATOM 0 HD3 LYS C 24 14.722 -8.337 3.869 1.00 0.00 H new ATOM 0 HE2 LYS C 24 14.572 -8.889 1.450 1.00 0.00 H new ATOM 0 HE3 LYS C 24 16.319 -8.981 1.355 1.00 0.00 H new ATOM 0 HZ1 LYS C 24 15.338 -11.164 1.590 1.00 0.00 H new ATOM 0 HZ2 LYS C 24 16.282 -10.803 2.954 1.00 0.00 H new ATOM 0 HZ3 LYS C 24 14.589 -10.713 3.045 1.00 0.00 H new ATOM 376 N GLY C 25 11.512 -5.044 4.007 1.00 0.00 N ATOM 377 CA GLY C 25 10.449 -4.066 3.969 1.00 0.00 C ATOM 378 C GLY C 25 9.111 -4.718 3.760 1.00 0.00 C ATOM 379 O GLY C 25 8.992 -5.689 3.014 1.00 0.00 O ATOM 0 H GLY C 25 11.716 -5.421 4.932 1.00 0.00 H new ATOM 0 HA2 GLY C 25 10.439 -3.501 4.901 1.00 0.00 H new ATOM 0 HA3 GLY C 25 10.637 -3.353 3.166 1.00 0.00 H new ATOM 383 N LYS C 26 8.109 -4.227 4.458 1.00 0.00 N ATOM 384 CA LYS C 26 6.789 -4.823 4.379 1.00 0.00 C ATOM 385 C LYS C 26 5.695 -3.806 4.671 1.00 0.00 C ATOM 386 O LYS C 26 5.814 -3.010 5.601 1.00 0.00 O ATOM 387 CB LYS C 26 6.733 -6.000 5.345 1.00 0.00 C ATOM 388 CG LYS C 26 7.400 -5.699 6.673 1.00 0.00 C ATOM 389 CD LYS C 26 7.978 -6.953 7.308 1.00 0.00 C ATOM 390 CE LYS C 26 9.149 -7.490 6.499 1.00 0.00 C ATOM 391 NZ LYS C 26 9.851 -8.599 7.198 1.00 0.00 N1+ ATOM 0 H LYS C 26 8.180 -3.423 5.082 1.00 0.00 H new ATOM 0 HA LYS C 26 6.611 -5.177 3.364 1.00 0.00 H new ATOM 0 HB2 LYS C 26 5.692 -6.272 5.519 1.00 0.00 H new ATOM 0 HB3 LYS C 26 7.216 -6.863 4.888 1.00 0.00 H new ATOM 0 HG2 LYS C 26 8.194 -4.967 6.524 1.00 0.00 H new ATOM 0 HG3 LYS C 26 6.675 -5.249 7.351 1.00 0.00 H new ATOM 0 HD2 LYS C 26 8.306 -6.731 8.324 1.00 0.00 H new ATOM 0 HD3 LYS C 26 7.203 -7.716 7.382 1.00 0.00 H new ATOM 0 HE2 LYS C 26 8.790 -7.842 5.532 1.00 0.00 H new ATOM 0 HE3 LYS C 26 9.854 -6.682 6.303 1.00 0.00 H new ATOM 0 HZ1 LYS C 26 10.727 -8.832 6.688 1.00 0.00 H new ATOM 0 HZ2 LYS C 26 10.083 -8.306 8.168 1.00 0.00 H new ATOM 0 HZ3 LYS C 26 9.235 -9.436 7.227 1.00 0.00 H new ATOM 405 N LEU C 27 4.642 -3.831 3.864 1.00 0.00 N ATOM 406 CA LEU C 27 3.511 -2.930 4.042 1.00 0.00 C ATOM 407 C LEU C 27 2.272 -3.730 4.434 1.00 0.00 C ATOM 408 O LEU C 27 1.864 -4.644 3.715 1.00 0.00 O ATOM 409 CB LEU C 27 3.207 -2.142 2.753 1.00 0.00 C ATOM 410 CG LEU C 27 4.359 -1.326 2.153 1.00 0.00 C ATOM 411 CD1 LEU C 27 5.328 -2.216 1.384 1.00 0.00 C ATOM 412 CD2 LEU C 27 3.816 -0.231 1.244 1.00 0.00 C ATOM 0 H LEU C 27 4.548 -4.470 3.075 1.00 0.00 H new ATOM 0 HA LEU C 27 3.772 -2.222 4.829 1.00 0.00 H new ATOM 0 HB2 LEU C 27 2.861 -2.847 1.997 1.00 0.00 H new ATOM 0 HB3 LEU C 27 2.380 -1.462 2.958 1.00 0.00 H new ATOM 0 HG LEU C 27 4.906 -0.866 2.976 1.00 0.00 H new ATOM 0 HD11 LEU C 27 6.132 -1.607 0.972 1.00 0.00 H new ATOM 0 HD12 LEU C 27 5.748 -2.964 2.057 1.00 0.00 H new ATOM 0 HD13 LEU C 27 4.798 -2.715 0.573 1.00 0.00 H new ATOM 0 HD21 LEU C 27 4.645 0.339 0.826 1.00 0.00 H new ATOM 0 HD22 LEU C 27 3.241 -0.682 0.435 1.00 0.00 H new ATOM 0 HD23 LEU C 27 3.172 0.434 1.820 1.00 0.00 H new ATOM 424 N SER C 28 1.685 -3.400 5.572 1.00 0.00 N ATOM 425 CA SER C 28 0.478 -4.073 6.031 1.00 0.00 C ATOM 426 C SER C 28 -0.729 -3.158 5.833 1.00 0.00 C ATOM 427 O SER C 28 -0.848 -2.144 6.509 1.00 0.00 O ATOM 428 CB SER C 28 0.614 -4.419 7.512 1.00 0.00 C ATOM 429 OG SER C 28 -0.344 -5.384 7.917 1.00 0.00 O ATOM 0 H SER C 28 2.024 -2.669 6.197 1.00 0.00 H new ATOM 0 HA SER C 28 0.338 -4.988 5.455 1.00 0.00 H new ATOM 0 HB2 SER C 28 1.617 -4.799 7.706 1.00 0.00 H new ATOM 0 HB3 SER C 28 0.494 -3.515 8.109 1.00 0.00 H new ATOM 0 HG SER C 28 -0.226 -5.582 8.869 1.00 0.00 H new ATOM 435 N LEU C 29 -1.623 -3.512 4.922 1.00 0.00 N ATOM 436 CA LEU C 29 -2.752 -2.641 4.598 1.00 0.00 C ATOM 437 C LEU C 29 -3.939 -2.918 5.493 1.00 0.00 C ATOM 438 O LEU C 29 -4.391 -4.056 5.612 1.00 0.00 O ATOM 439 CB LEU C 29 -3.166 -2.798 3.134 1.00 0.00 C ATOM 440 CG LEU C 29 -2.047 -2.612 2.106 1.00 0.00 C ATOM 441 CD1 LEU C 29 -2.623 -2.586 0.701 1.00 0.00 C ATOM 442 CD2 LEU C 29 -1.256 -1.344 2.380 1.00 0.00 C ATOM 0 H LEU C 29 -1.594 -4.386 4.397 1.00 0.00 H new ATOM 0 HA LEU C 29 -2.422 -1.616 4.765 1.00 0.00 H new ATOM 0 HB2 LEU C 29 -3.595 -3.791 3.001 1.00 0.00 H new ATOM 0 HB3 LEU C 29 -3.956 -2.078 2.919 1.00 0.00 H new ATOM 0 HG LEU C 29 -1.364 -3.457 2.191 1.00 0.00 H new ATOM 0 HD11 LEU C 29 -1.817 -2.453 -0.020 1.00 0.00 H new ATOM 0 HD12 LEU C 29 -3.137 -3.526 0.501 1.00 0.00 H new ATOM 0 HD13 LEU C 29 -3.329 -1.760 0.612 1.00 0.00 H new ATOM 0 HD21 LEU C 29 -0.468 -1.238 1.634 1.00 0.00 H new ATOM 0 HD22 LEU C 29 -1.921 -0.482 2.330 1.00 0.00 H new ATOM 0 HD23 LEU C 29 -0.810 -1.401 3.373 1.00 0.00 H new ATOM 454 N SER C 30 -4.429 -1.871 6.137 1.00 0.00 N ATOM 455 CA SER C 30 -5.633 -1.970 6.926 1.00 0.00 C ATOM 456 C SER C 30 -6.447 -0.684 6.812 1.00 0.00 C ATOM 457 O SER C 30 -5.892 0.418 6.868 1.00 0.00 O ATOM 458 CB SER C 30 -5.293 -2.258 8.389 1.00 0.00 C ATOM 459 OG SER C 30 -4.457 -3.399 8.504 1.00 0.00 O ATOM 0 H SER C 30 -4.006 -0.943 6.125 1.00 0.00 H new ATOM 0 HA SER C 30 -6.231 -2.797 6.543 1.00 0.00 H new ATOM 0 HB2 SER C 30 -4.795 -1.393 8.827 1.00 0.00 H new ATOM 0 HB3 SER C 30 -6.211 -2.418 8.954 1.00 0.00 H new ATOM 0 HG SER C 30 -4.253 -3.561 9.449 1.00 0.00 H new ATOM 465 N MET C 31 -7.756 -0.826 6.646 1.00 0.00 N ATOM 466 CA MET C 31 -8.637 0.319 6.460 1.00 0.00 C ATOM 467 C MET C 31 -9.802 0.279 7.433 1.00 0.00 C ATOM 468 O MET C 31 -10.305 -0.794 7.777 1.00 0.00 O ATOM 469 CB MET C 31 -9.186 0.350 5.035 1.00 0.00 C ATOM 470 CG MET C 31 -8.118 0.490 3.972 1.00 0.00 C ATOM 471 SD MET C 31 -8.788 0.459 2.301 1.00 0.00 S ATOM 472 CE MET C 31 -9.868 1.885 2.360 1.00 0.00 C ATOM 0 H MET C 31 -8.232 -1.728 6.636 1.00 0.00 H new ATOM 0 HA MET C 31 -8.046 1.216 6.646 1.00 0.00 H new ATOM 0 HB2 MET C 31 -9.749 -0.565 4.853 1.00 0.00 H new ATOM 0 HB3 MET C 31 -9.887 1.179 4.944 1.00 0.00 H new ATOM 0 HG2 MET C 31 -7.580 1.425 4.125 1.00 0.00 H new ATOM 0 HG3 MET C 31 -7.393 -0.317 4.083 1.00 0.00 H new ATOM 0 HE1 MET C 31 -10.154 2.167 1.347 1.00 0.00 H new ATOM 0 HE2 MET C 31 -10.762 1.641 2.934 1.00 0.00 H new ATOM 0 HE3 MET C 31 -9.347 2.716 2.835 1.00 0.00 H new ATOM 482 N ASN C 32 -10.227 1.452 7.871 1.00 0.00 N ATOM 483 CA ASN C 32 -11.376 1.565 8.752 1.00 0.00 C ATOM 484 C ASN C 32 -12.105 2.879 8.495 1.00 0.00 C ATOM 485 O ASN C 32 -11.776 3.912 9.083 1.00 0.00 O ATOM 486 CB ASN C 32 -10.939 1.473 10.217 1.00 0.00 C ATOM 487 CG ASN C 32 -12.106 1.509 11.192 1.00 0.00 C ATOM 488 OD1 ASN C 32 -11.970 1.995 12.313 1.00 0.00 O ATOM 489 ND2 ASN C 32 -13.255 0.987 10.785 1.00 0.00 N ATOM 0 H ASN C 32 -9.792 2.342 7.630 1.00 0.00 H new ATOM 0 HA ASN C 32 -12.058 0.740 8.545 1.00 0.00 H new ATOM 0 HB2 ASN C 32 -10.378 0.550 10.365 1.00 0.00 H new ATOM 0 HB3 ASN C 32 -10.262 2.297 10.440 1.00 0.00 H new ATOM 0 HD21 ASN C 32 -14.062 0.980 11.409 1.00 0.00 H new ATOM 0 HD22 ASN C 32 -13.332 0.592 9.848 1.00 0.00 H new ATOM 496 N GLY C 33 -13.077 2.833 7.596 1.00 0.00 N ATOM 497 CA GLY C 33 -13.876 4.004 7.290 1.00 0.00 C ATOM 498 C GLY C 33 -13.098 5.074 6.540 1.00 0.00 C ATOM 499 O GLY C 33 -12.976 5.018 5.318 1.00 0.00 O ATOM 0 H GLY C 33 -13.329 1.998 7.068 1.00 0.00 H new ATOM 0 HA2 GLY C 33 -14.738 3.704 6.694 1.00 0.00 H new ATOM 0 HA3 GLY C 33 -14.262 4.426 8.218 1.00 0.00 H new ATOM 503 N ASN C 34 -12.550 6.035 7.271 1.00 0.00 N ATOM 504 CA ASN C 34 -11.876 7.169 6.655 1.00 0.00 C ATOM 505 C ASN C 34 -10.367 7.061 6.801 1.00 0.00 C ATOM 506 O ASN C 34 -9.664 8.069 6.799 1.00 0.00 O ATOM 507 CB ASN C 34 -12.338 8.482 7.298 1.00 0.00 C ATOM 508 CG ASN C 34 -12.034 8.544 8.789 1.00 0.00 C ATOM 509 OD1 ASN C 34 -12.922 8.377 9.624 1.00 0.00 O ATOM 510 ND2 ASN C 34 -10.764 8.716 9.134 1.00 0.00 N ATOM 0 H ASN C 34 -12.559 6.052 8.291 1.00 0.00 H new ATOM 0 HA ASN C 34 -12.134 7.162 5.596 1.00 0.00 H new ATOM 0 HB2 ASN C 34 -11.851 9.319 6.797 1.00 0.00 H new ATOM 0 HB3 ASN C 34 -13.411 8.599 7.145 1.00 0.00 H new ATOM 0 HD21 ASN C 34 -10.498 8.712 10.119 1.00 0.00 H new ATOM 0 HD22 ASN C 34 -10.054 8.852 8.414 1.00 0.00 H new ATOM 517 N GLN C 35 -9.857 5.856 6.921 1.00 0.00 N ATOM 518 CA GLN C 35 -8.463 5.684 7.261 1.00 0.00 C ATOM 519 C GLN C 35 -7.808 4.537 6.512 1.00 0.00 C ATOM 520 O GLN C 35 -8.381 3.458 6.358 1.00 0.00 O ATOM 521 CB GLN C 35 -8.313 5.448 8.761 1.00 0.00 C ATOM 522 CG GLN C 35 -6.876 5.198 9.175 1.00 0.00 C ATOM 523 CD GLN C 35 -6.752 4.781 10.623 1.00 0.00 C ATOM 524 OE1 GLN C 35 -6.808 3.595 10.943 1.00 0.00 O ATOM 525 NE2 GLN C 35 -6.584 5.748 11.505 1.00 0.00 N ATOM 0 H GLN C 35 -10.379 4.990 6.790 1.00 0.00 H new ATOM 0 HA GLN C 35 -7.958 6.603 6.965 1.00 0.00 H new ATOM 0 HB2 GLN C 35 -8.696 6.314 9.301 1.00 0.00 H new ATOM 0 HB3 GLN C 35 -8.924 4.594 9.053 1.00 0.00 H new ATOM 0 HG2 GLN C 35 -6.448 4.422 8.540 1.00 0.00 H new ATOM 0 HG3 GLN C 35 -6.292 6.103 9.010 1.00 0.00 H new ATOM 0 HE21 GLN C 35 -6.543 6.719 11.196 1.00 0.00 H new ATOM 0 HE22 GLN C 35 -6.495 5.524 12.496 1.00 0.00 H new ATOM 534 N LEU C 36 -6.595 4.805 6.062 1.00 0.00 N ATOM 535 CA LEU C 36 -5.693 3.793 5.557 1.00 0.00 C ATOM 536 C LEU C 36 -4.421 3.878 6.390 1.00 0.00 C ATOM 537 O LEU C 36 -3.752 4.907 6.394 1.00 0.00 O ATOM 538 CB LEU C 36 -5.413 4.040 4.058 1.00 0.00 C ATOM 539 CG LEU C 36 -4.533 3.009 3.306 1.00 0.00 C ATOM 540 CD1 LEU C 36 -3.070 3.112 3.700 1.00 0.00 C ATOM 541 CD2 LEU C 36 -5.030 1.592 3.528 1.00 0.00 C ATOM 0 H LEU C 36 -6.206 5.748 6.038 1.00 0.00 H new ATOM 0 HA LEU C 36 -6.122 2.794 5.638 1.00 0.00 H new ATOM 0 HB2 LEU C 36 -6.372 4.099 3.544 1.00 0.00 H new ATOM 0 HB3 LEU C 36 -4.939 5.017 3.963 1.00 0.00 H new ATOM 0 HG LEU C 36 -4.614 3.248 2.246 1.00 0.00 H new ATOM 0 HD11 LEU C 36 -2.492 2.371 3.148 1.00 0.00 H new ATOM 0 HD12 LEU C 36 -2.699 4.110 3.465 1.00 0.00 H new ATOM 0 HD13 LEU C 36 -2.968 2.929 4.770 1.00 0.00 H new ATOM 0 HD21 LEU C 36 -4.391 0.894 2.987 1.00 0.00 H new ATOM 0 HD22 LEU C 36 -5.002 1.359 4.593 1.00 0.00 H new ATOM 0 HD23 LEU C 36 -6.054 1.504 3.164 1.00 0.00 H new ATOM 553 N LYS C 37 -4.135 2.831 7.148 1.00 0.00 N ATOM 554 CA LYS C 37 -2.910 2.768 7.932 1.00 0.00 C ATOM 555 C LYS C 37 -2.155 1.496 7.567 1.00 0.00 C ATOM 556 O LYS C 37 -2.552 0.381 7.914 1.00 0.00 O ATOM 557 CB LYS C 37 -3.204 2.812 9.439 1.00 0.00 C ATOM 558 CG LYS C 37 -4.165 1.744 9.935 1.00 0.00 C ATOM 559 CD LYS C 37 -4.158 1.674 11.453 1.00 0.00 C ATOM 560 CE LYS C 37 -5.121 0.622 11.975 1.00 0.00 C ATOM 561 NZ LYS C 37 -6.534 0.948 11.653 1.00 0.00 N1+ ATOM 0 H LYS C 37 -4.735 2.011 7.237 1.00 0.00 H new ATOM 0 HA LYS C 37 -2.297 3.639 7.700 1.00 0.00 H new ATOM 0 HB2 LYS C 37 -2.263 2.714 9.981 1.00 0.00 H new ATOM 0 HB3 LYS C 37 -3.613 3.792 9.686 1.00 0.00 H new ATOM 0 HG2 LYS C 37 -5.173 1.963 9.581 1.00 0.00 H new ATOM 0 HG3 LYS C 37 -3.885 0.776 9.521 1.00 0.00 H new ATOM 0 HD2 LYS C 37 -3.150 1.449 11.802 1.00 0.00 H new ATOM 0 HD3 LYS C 37 -4.427 2.648 11.863 1.00 0.00 H new ATOM 0 HE2 LYS C 37 -4.866 -0.347 11.546 1.00 0.00 H new ATOM 0 HE3 LYS C 37 -5.008 0.532 13.055 1.00 0.00 H new ATOM 0 HZ1 LYS C 37 -7.121 0.824 12.502 1.00 0.00 H new ATOM 0 HZ2 LYS C 37 -6.598 1.934 11.329 1.00 0.00 H new ATOM 0 HZ3 LYS C 37 -6.874 0.314 10.902 1.00 0.00 H new ATOM 575 N ALA C 38 -1.090 1.676 6.827 1.00 0.00 N ATOM 576 CA ALA C 38 -0.210 0.586 6.466 1.00 0.00 C ATOM 577 C ALA C 38 1.019 0.614 7.344 1.00 0.00 C ATOM 578 O ALA C 38 1.728 1.618 7.406 1.00 0.00 O ATOM 579 CB ALA C 38 0.181 0.686 5.000 1.00 0.00 C ATOM 0 H ALA C 38 -0.806 2.583 6.456 1.00 0.00 H new ATOM 0 HA ALA C 38 -0.732 -0.359 6.616 1.00 0.00 H new ATOM 0 HB1 ALA C 38 0.843 -0.141 4.743 1.00 0.00 H new ATOM 0 HB2 ALA C 38 -0.715 0.640 4.381 1.00 0.00 H new ATOM 0 HB3 ALA C 38 0.695 1.631 4.824 1.00 0.00 H new ATOM 585 N THR C 39 1.284 -0.491 8.008 1.00 0.00 N ATOM 586 CA THR C 39 2.404 -0.547 8.916 1.00 0.00 C ATOM 587 C THR C 39 3.600 -1.121 8.188 1.00 0.00 C ATOM 588 O THR C 39 3.541 -2.214 7.621 1.00 0.00 O ATOM 589 CB THR C 39 2.105 -1.405 10.157 1.00 0.00 C ATOM 590 OG1 THR C 39 1.931 -2.764 9.756 1.00 0.00 O ATOM 591 CG2 THR C 39 0.857 -0.914 10.878 1.00 0.00 C ATOM 0 H THR C 39 0.744 -1.353 7.936 1.00 0.00 H new ATOM 0 HA THR C 39 2.608 0.467 9.259 1.00 0.00 H new ATOM 0 HB THR C 39 2.945 -1.324 10.847 1.00 0.00 H new ATOM 0 HG1 THR C 39 2.505 -2.953 8.984 1.00 0.00 H new ATOM 0 HG21 THR C 39 0.671 -1.540 11.751 1.00 0.00 H new ATOM 0 HG22 THR C 39 1.003 0.118 11.196 1.00 0.00 H new ATOM 0 HG23 THR C 39 0.002 -0.968 10.204 1.00 0.00 H new ATOM 599 N SER C 40 4.664 -0.362 8.196 1.00 0.00 N ATOM 600 CA SER C 40 5.855 -0.686 7.449 1.00 0.00 C ATOM 601 C SER C 40 6.979 -1.076 8.390 1.00 0.00 C ATOM 602 O SER C 40 7.390 -0.297 9.247 1.00 0.00 O ATOM 603 CB SER C 40 6.228 0.513 6.589 1.00 0.00 C ATOM 604 OG SER C 40 5.991 1.723 7.294 1.00 0.00 O ATOM 0 H SER C 40 4.731 0.507 8.726 1.00 0.00 H new ATOM 0 HA SER C 40 5.673 -1.542 6.799 1.00 0.00 H new ATOM 0 HB2 SER C 40 7.278 0.451 6.304 1.00 0.00 H new ATOM 0 HB3 SER C 40 5.646 0.502 5.667 1.00 0.00 H new ATOM 0 HG SER C 40 6.543 1.743 8.104 1.00 0.00 H new ATOM 610 N SER C 41 7.459 -2.293 8.234 1.00 0.00 N ATOM 611 CA SER C 41 8.444 -2.827 9.148 1.00 0.00 C ATOM 612 C SER C 41 9.761 -3.098 8.420 1.00 0.00 C ATOM 613 O SER C 41 9.915 -2.721 7.251 1.00 0.00 O ATOM 614 CB SER C 41 7.897 -4.100 9.804 1.00 0.00 C ATOM 615 OG SER C 41 8.705 -4.521 10.891 1.00 0.00 O ATOM 0 H SER C 41 7.183 -2.928 7.485 1.00 0.00 H new ATOM 0 HA SER C 41 8.647 -2.094 9.929 1.00 0.00 H new ATOM 0 HB2 SER C 41 6.881 -3.920 10.155 1.00 0.00 H new ATOM 0 HB3 SER C 41 7.842 -4.897 9.062 1.00 0.00 H new ATOM 0 HG SER C 41 8.325 -5.334 11.286 1.00 0.00 H new ATOM 621 N ASN C 42 10.675 -3.766 9.132 1.00 0.00 N ATOM 622 CA ASN C 42 12.034 -4.081 8.667 1.00 0.00 C ATOM 623 C ASN C 42 12.984 -2.900 8.843 1.00 0.00 C ATOM 624 O ASN C 42 14.094 -2.897 8.309 1.00 0.00 O ATOM 625 CB ASN C 42 12.056 -4.579 7.221 1.00 0.00 C ATOM 626 CG ASN C 42 12.877 -5.846 7.053 1.00 0.00 C ATOM 627 OD1 ASN C 42 13.531 -6.038 6.031 1.00 0.00 O ATOM 628 ND2 ASN C 42 12.822 -6.736 8.033 1.00 0.00 N ATOM 0 H ASN C 42 10.487 -4.113 10.073 1.00 0.00 H new ATOM 0 HA ASN C 42 12.387 -4.896 9.299 1.00 0.00 H new ATOM 0 HB2 ASN C 42 11.035 -4.765 6.889 1.00 0.00 H new ATOM 0 HB3 ASN C 42 12.463 -3.799 6.578 1.00 0.00 H new ATOM 0 HD21 ASN C 42 13.333 -7.615 7.953 1.00 0.00 H new ATOM 0 HD22 ASN C 42 12.268 -6.542 8.867 1.00 0.00 H new ATOM 635 N ALA C 43 12.528 -1.910 9.604 1.00 0.00 N ATOM 636 CA ALA C 43 13.370 -0.813 10.093 1.00 0.00 C ATOM 637 C ALA C 43 14.132 -0.068 8.996 1.00 0.00 C ATOM 638 O ALA C 43 15.322 0.213 9.146 1.00 0.00 O ATOM 639 CB ALA C 43 14.347 -1.344 11.129 1.00 0.00 C ATOM 0 H ALA C 43 11.555 -1.842 9.904 1.00 0.00 H new ATOM 0 HA ALA C 43 12.692 -0.083 10.534 1.00 0.00 H new ATOM 0 HB1 ALA C 43 14.972 -0.528 11.492 1.00 0.00 H new ATOM 0 HB2 ALA C 43 13.794 -1.776 11.963 1.00 0.00 H new ATOM 0 HB3 ALA C 43 14.977 -2.110 10.676 1.00 0.00 H new ATOM 645 N GLY C 44 13.462 0.273 7.909 1.00 0.00 N ATOM 646 CA GLY C 44 14.093 1.113 6.907 1.00 0.00 C ATOM 647 C GLY C 44 14.329 0.412 5.588 1.00 0.00 C ATOM 648 O GLY C 44 14.358 1.059 4.540 1.00 0.00 O ATOM 0 H GLY C 44 12.505 -0.010 7.700 1.00 0.00 H new ATOM 0 HA2 GLY C 44 13.469 1.990 6.736 1.00 0.00 H new ATOM 0 HA3 GLY C 44 15.047 1.471 7.294 1.00 0.00 H new ATOM 652 N TYR C 45 14.512 -0.902 5.631 1.00 0.00 N ATOM 653 CA TYR C 45 14.711 -1.678 4.412 1.00 0.00 C ATOM 654 C TYR C 45 13.515 -1.516 3.485 1.00 0.00 C ATOM 655 O TYR C 45 12.369 -1.666 3.903 1.00 0.00 O ATOM 656 CB TYR C 45 14.946 -3.153 4.741 1.00 0.00 C ATOM 657 CG TYR C 45 16.331 -3.432 5.290 1.00 0.00 C ATOM 658 CD1 TYR C 45 17.357 -3.873 4.458 1.00 0.00 C ATOM 659 CD2 TYR C 45 16.618 -3.249 6.637 1.00 0.00 C ATOM 660 CE1 TYR C 45 18.620 -4.125 4.956 1.00 0.00 C ATOM 661 CE2 TYR C 45 17.880 -3.497 7.142 1.00 0.00 C ATOM 662 CZ TYR C 45 18.876 -3.935 6.297 1.00 0.00 C ATOM 663 OH TYR C 45 20.134 -4.185 6.798 1.00 0.00 O ATOM 0 H TYR C 45 14.527 -1.450 6.491 1.00 0.00 H new ATOM 0 HA TYR C 45 15.598 -1.302 3.902 1.00 0.00 H new ATOM 0 HB2 TYR C 45 14.202 -3.479 5.468 1.00 0.00 H new ATOM 0 HB3 TYR C 45 14.793 -3.748 3.840 1.00 0.00 H new ATOM 0 HD1 TYR C 45 17.162 -4.020 3.406 1.00 0.00 H new ATOM 0 HD2 TYR C 45 15.839 -2.906 7.302 1.00 0.00 H new ATOM 0 HE1 TYR C 45 19.404 -4.469 4.298 1.00 0.00 H new ATOM 0 HE2 TYR C 45 18.084 -3.348 8.192 1.00 0.00 H new ATOM 0 HH TYR C 45 20.146 -4.000 7.760 1.00 0.00 H new ATOM 673 N GLY C 46 13.807 -1.183 2.232 1.00 0.00 N ATOM 674 CA GLY C 46 12.773 -0.842 1.278 1.00 0.00 C ATOM 675 C GLY C 46 12.258 -2.035 0.502 1.00 0.00 C ATOM 676 O GLY C 46 11.116 -2.454 0.674 1.00 0.00 O ATOM 0 H GLY C 46 14.755 -1.144 1.859 1.00 0.00 H new ATOM 0 HA2 GLY C 46 11.942 -0.374 1.805 1.00 0.00 H new ATOM 0 HA3 GLY C 46 13.163 -0.103 0.578 1.00 0.00 H new ATOM 680 N ILE C 47 13.088 -2.558 -0.385 1.00 0.00 N ATOM 681 CA ILE C 47 12.692 -3.668 -1.240 1.00 0.00 C ATOM 682 C ILE C 47 13.464 -4.913 -0.914 1.00 0.00 C ATOM 683 O ILE C 47 12.907 -5.938 -0.517 1.00 0.00 O ATOM 684 CB ILE C 47 12.982 -3.370 -2.706 1.00 0.00 C ATOM 685 CG1 ILE C 47 12.748 -1.897 -2.980 1.00 0.00 C ATOM 686 CG2 ILE C 47 12.134 -4.253 -3.608 1.00 0.00 C ATOM 687 CD1 ILE C 47 12.802 -1.525 -4.434 1.00 0.00 C ATOM 0 H ILE C 47 14.043 -2.232 -0.533 1.00 0.00 H new ATOM 0 HA ILE C 47 11.625 -3.808 -1.068 1.00 0.00 H new ATOM 0 HB ILE C 47 14.026 -3.596 -2.924 1.00 0.00 H new ATOM 0 HG12 ILE C 47 11.774 -1.615 -2.580 1.00 0.00 H new ATOM 0 HG13 ILE C 47 13.495 -1.315 -2.440 1.00 0.00 H new ATOM 0 HG21 ILE C 47 12.355 -4.026 -4.651 1.00 0.00 H new ATOM 0 HG22 ILE C 47 12.360 -5.300 -3.409 1.00 0.00 H new ATOM 0 HG23 ILE C 47 11.078 -4.066 -3.412 1.00 0.00 H new ATOM 0 HD11 ILE C 47 12.625 -0.455 -4.543 1.00 0.00 H new ATOM 0 HD12 ILE C 47 13.784 -1.773 -4.837 1.00 0.00 H new ATOM 0 HD13 ILE C 47 12.036 -2.077 -4.979 1.00 0.00 H new ATOM 699 N SER C 48 14.760 -4.796 -1.140 1.00 0.00 N ATOM 700 CA SER C 48 15.675 -5.905 -1.045 1.00 0.00 C ATOM 701 C SER C 48 17.061 -5.452 -1.496 1.00 0.00 C ATOM 702 O SER C 48 17.999 -5.427 -0.696 1.00 0.00 O ATOM 703 CB SER C 48 15.167 -7.092 -1.883 1.00 0.00 C ATOM 704 OG SER C 48 15.036 -6.749 -3.256 1.00 0.00 O ATOM 0 H SER C 48 15.206 -3.915 -1.397 1.00 0.00 H new ATOM 0 HA SER C 48 15.740 -6.242 -0.011 1.00 0.00 H new ATOM 0 HB2 SER C 48 15.856 -7.930 -1.782 1.00 0.00 H new ATOM 0 HB3 SER C 48 14.203 -7.424 -1.497 1.00 0.00 H new ATOM 0 HG SER C 48 14.713 -7.526 -3.758 1.00 0.00 H new ATOM 710 N TYR C 49 17.169 -5.065 -2.771 1.00 0.00 N ATOM 711 CA TYR C 49 18.405 -4.510 -3.321 1.00 0.00 C ATOM 712 C TYR C 49 18.221 -4.169 -4.804 1.00 0.00 C ATOM 713 O TYR C 49 19.139 -4.326 -5.609 1.00 0.00 O ATOM 714 CB TYR C 49 19.559 -5.506 -3.153 1.00 0.00 C ATOM 715 CG TYR C 49 20.938 -4.862 -3.183 1.00 0.00 C ATOM 716 CD1 TYR C 49 21.295 -3.910 -2.229 1.00 0.00 C ATOM 717 CD2 TYR C 49 21.887 -5.203 -4.148 1.00 0.00 C ATOM 718 CE1 TYR C 49 22.546 -3.322 -2.238 1.00 0.00 C ATOM 719 CE2 TYR C 49 23.137 -4.615 -4.157 1.00 0.00 C ATOM 720 CZ TYR C 49 23.462 -3.678 -3.203 1.00 0.00 C ATOM 721 OH TYR C 49 24.710 -3.098 -3.214 1.00 0.00 O ATOM 0 H TYR C 49 16.406 -5.128 -3.445 1.00 0.00 H new ATOM 0 HA TYR C 49 18.646 -3.597 -2.776 1.00 0.00 H new ATOM 0 HB2 TYR C 49 19.436 -6.034 -2.207 1.00 0.00 H new ATOM 0 HB3 TYR C 49 19.500 -6.253 -3.945 1.00 0.00 H new ATOM 0 HD1 TYR C 49 20.581 -3.627 -1.469 1.00 0.00 H new ATOM 0 HD2 TYR C 49 21.640 -5.938 -4.900 1.00 0.00 H new ATOM 0 HE1 TYR C 49 22.804 -2.586 -1.491 1.00 0.00 H new ATOM 0 HE2 TYR C 49 23.858 -4.890 -4.912 1.00 0.00 H new ATOM 0 HH TYR C 49 25.233 -3.461 -3.959 1.00 0.00 H new ATOM 731 N GLU C 50 17.029 -3.701 -5.165 1.00 0.00 N ATOM 732 CA GLU C 50 16.702 -3.425 -6.565 1.00 0.00 C ATOM 733 C GLU C 50 15.843 -2.174 -6.700 1.00 0.00 C ATOM 734 O GLU C 50 15.479 -1.552 -5.707 1.00 0.00 O ATOM 735 CB GLU C 50 15.969 -4.621 -7.182 1.00 0.00 C ATOM 736 CG GLU C 50 16.811 -5.884 -7.264 1.00 0.00 C ATOM 737 CD GLU C 50 16.005 -7.096 -7.679 1.00 0.00 C ATOM 738 OE1 GLU C 50 15.367 -7.711 -6.801 1.00 0.00 O ATOM 739 OE2 GLU C 50 16.007 -7.447 -8.877 1.00 0.00 O1- ATOM 0 H GLU C 50 16.273 -3.504 -4.510 1.00 0.00 H new ATOM 0 HA GLU C 50 17.638 -3.256 -7.097 1.00 0.00 H new ATOM 0 HB2 GLU C 50 15.075 -4.830 -6.594 1.00 0.00 H new ATOM 0 HB3 GLU C 50 15.636 -4.353 -8.184 1.00 0.00 H new ATOM 0 HG2 GLU C 50 17.621 -5.730 -7.976 1.00 0.00 H new ATOM 0 HG3 GLU C 50 17.271 -6.073 -6.294 1.00 0.00 H new ATOM 746 N ASP C 51 15.536 -1.824 -7.944 1.00 0.00 N ATOM 747 CA ASP C 51 14.739 -0.639 -8.266 1.00 0.00 C ATOM 748 C ASP C 51 13.324 -1.069 -8.637 1.00 0.00 C ATOM 749 O ASP C 51 13.147 -1.857 -9.566 1.00 0.00 O ATOM 750 CB ASP C 51 15.353 0.101 -9.465 1.00 0.00 C ATOM 751 CG ASP C 51 16.779 0.573 -9.236 1.00 0.00 C ATOM 752 OD1 ASP C 51 17.652 -0.257 -8.904 1.00 0.00 O ATOM 753 OD2 ASP C 51 17.042 1.780 -9.412 1.00 0.00 O1- ATOM 0 H ASP C 51 15.833 -2.354 -8.763 1.00 0.00 H new ATOM 0 HA ASP C 51 14.722 0.020 -7.398 1.00 0.00 H new ATOM 0 HB2 ASP C 51 15.334 -0.557 -10.333 1.00 0.00 H new ATOM 0 HB3 ASP C 51 14.730 0.963 -9.705 1.00 0.00 H new ATOM 758 N LYS C 52 12.315 -0.572 -7.926 1.00 0.00 N ATOM 759 CA LYS C 52 10.938 -0.975 -8.204 1.00 0.00 C ATOM 760 C LYS C 52 10.031 0.209 -8.492 1.00 0.00 C ATOM 761 O LYS C 52 9.967 1.176 -7.719 1.00 0.00 O ATOM 762 CB LYS C 52 10.347 -1.797 -7.061 1.00 0.00 C ATOM 763 CG LYS C 52 10.443 -3.301 -7.271 1.00 0.00 C ATOM 764 CD LYS C 52 11.882 -3.779 -7.368 1.00 0.00 C ATOM 765 CE LYS C 52 11.962 -5.283 -7.562 1.00 0.00 C ATOM 766 NZ LYS C 52 11.392 -5.719 -8.864 1.00 0.00 N1+ ATOM 0 H LYS C 52 12.420 0.099 -7.165 1.00 0.00 H new ATOM 0 HA LYS C 52 10.988 -1.593 -9.100 1.00 0.00 H new ATOM 0 HB2 LYS C 52 10.860 -1.536 -6.135 1.00 0.00 H new ATOM 0 HB3 LYS C 52 9.300 -1.524 -6.933 1.00 0.00 H new ATOM 0 HG2 LYS C 52 9.947 -3.813 -6.446 1.00 0.00 H new ATOM 0 HG3 LYS C 52 9.910 -3.573 -8.182 1.00 0.00 H new ATOM 0 HD2 LYS C 52 12.377 -3.278 -8.200 1.00 0.00 H new ATOM 0 HD3 LYS C 52 12.420 -3.500 -6.462 1.00 0.00 H new ATOM 0 HE2 LYS C 52 13.003 -5.599 -7.500 1.00 0.00 H new ATOM 0 HE3 LYS C 52 11.429 -5.780 -6.751 1.00 0.00 H new ATOM 0 HZ1 LYS C 52 11.620 -6.721 -9.025 1.00 0.00 H new ATOM 0 HZ2 LYS C 52 10.359 -5.597 -8.849 1.00 0.00 H new ATOM 0 HZ3 LYS C 52 11.798 -5.145 -9.630 1.00 0.00 H new ATOM 780 N ASN C 53 9.306 0.072 -9.594 1.00 0.00 N ATOM 781 CA ASN C 53 8.347 1.064 -10.065 1.00 0.00 C ATOM 782 C ASN C 53 6.984 0.789 -9.450 1.00 0.00 C ATOM 783 O ASN C 53 6.473 -0.324 -9.546 1.00 0.00 O ATOM 784 CB ASN C 53 8.284 1.000 -11.591 1.00 0.00 C ATOM 785 CG ASN C 53 6.924 1.335 -12.164 1.00 0.00 C ATOM 786 OD1 ASN C 53 6.589 2.500 -12.382 1.00 0.00 O ATOM 787 ND2 ASN C 53 6.147 0.303 -12.441 1.00 0.00 N ATOM 0 H ASN C 53 9.369 -0.748 -10.198 1.00 0.00 H new ATOM 0 HA ASN C 53 8.657 2.065 -9.765 1.00 0.00 H new ATOM 0 HB2 ASN C 53 9.021 1.689 -12.004 1.00 0.00 H new ATOM 0 HB3 ASN C 53 8.567 -0.002 -11.915 1.00 0.00 H new ATOM 0 HD21 ASN C 53 5.226 0.454 -12.853 1.00 0.00 H new ATOM 0 HD22 ASN C 53 6.468 -0.645 -12.243 1.00 0.00 H new ATOM 794 N TRP C 54 6.400 1.793 -8.819 1.00 0.00 N ATOM 795 CA TRP C 54 5.260 1.563 -7.956 1.00 0.00 C ATOM 796 C TRP C 54 4.116 2.550 -8.118 1.00 0.00 C ATOM 797 O TRP C 54 4.283 3.604 -8.720 1.00 0.00 O ATOM 798 CB TRP C 54 5.747 1.636 -6.543 1.00 0.00 C ATOM 799 CG TRP C 54 5.646 0.335 -5.902 1.00 0.00 C ATOM 800 CD1 TRP C 54 6.574 -0.640 -5.838 1.00 0.00 C ATOM 801 CD2 TRP C 54 4.495 -0.141 -5.286 1.00 0.00 C ATOM 802 NE1 TRP C 54 6.054 -1.717 -5.159 1.00 0.00 N ATOM 803 CE2 TRP C 54 4.761 -1.418 -4.805 1.00 0.00 C ATOM 804 CE3 TRP C 54 3.263 0.432 -5.085 1.00 0.00 C ATOM 805 CZ2 TRP C 54 3.802 -2.150 -4.124 1.00 0.00 C ATOM 806 CZ3 TRP C 54 2.318 -0.267 -4.426 1.00 0.00 C ATOM 807 CH2 TRP C 54 2.579 -1.556 -3.941 1.00 0.00 C ATOM 0 H TRP C 54 6.695 2.767 -8.888 1.00 0.00 H new ATOM 0 HA TRP C 54 4.852 0.590 -8.230 1.00 0.00 H new ATOM 0 HB2 TRP C 54 6.782 1.977 -6.526 1.00 0.00 H new ATOM 0 HB3 TRP C 54 5.161 2.368 -5.987 1.00 0.00 H new ATOM 0 HD1 TRP C 54 7.569 -0.584 -6.254 1.00 0.00 H new ATOM 0 HE1 TRP C 54 6.544 -2.588 -4.954 1.00 0.00 H new ATOM 0 HE3 TRP C 54 3.055 1.427 -5.449 1.00 0.00 H new ATOM 0 HZ2 TRP C 54 4.008 -3.143 -3.754 1.00 0.00 H new ATOM 0 HZ3 TRP C 54 1.344 0.173 -4.269 1.00 0.00 H new ATOM 0 HH2 TRP C 54 1.803 -2.091 -3.414 1.00 0.00 H new ATOM 818 N GLY C 55 2.940 2.212 -7.555 1.00 0.00 N ATOM 819 CA GLY C 55 1.872 3.177 -7.522 1.00 0.00 C ATOM 820 C GLY C 55 0.658 2.802 -6.688 1.00 0.00 C ATOM 821 O GLY C 55 0.415 1.636 -6.385 1.00 0.00 O ATOM 0 H GLY C 55 2.728 1.307 -7.136 1.00 0.00 H new ATOM 0 HA2 GLY C 55 2.271 4.118 -7.143 1.00 0.00 H new ATOM 0 HA3 GLY C 55 1.543 3.359 -8.545 1.00 0.00 H new ATOM 825 N ILE C 56 -0.082 3.837 -6.301 1.00 0.00 N ATOM 826 CA ILE C 56 -1.355 3.702 -5.598 1.00 0.00 C ATOM 827 C ILE C 56 -2.508 4.186 -6.473 1.00 0.00 C ATOM 828 O ILE C 56 -2.391 5.209 -7.153 1.00 0.00 O ATOM 829 CB ILE C 56 -1.365 4.519 -4.280 1.00 0.00 C ATOM 830 CG1 ILE C 56 -0.614 3.789 -3.177 1.00 0.00 C ATOM 831 CG2 ILE C 56 -2.784 4.824 -3.815 1.00 0.00 C ATOM 832 CD1 ILE C 56 0.883 3.739 -3.357 1.00 0.00 C ATOM 0 H ILE C 56 0.189 4.806 -6.469 1.00 0.00 H new ATOM 0 HA ILE C 56 -1.479 2.644 -5.367 1.00 0.00 H new ATOM 0 HB ILE C 56 -0.861 5.462 -4.491 1.00 0.00 H new ATOM 0 HG12 ILE C 56 -0.835 4.272 -2.225 1.00 0.00 H new ATOM 0 HG13 ILE C 56 -0.992 2.769 -3.113 1.00 0.00 H new ATOM 0 HG21 ILE C 56 -2.748 5.398 -2.889 1.00 0.00 H new ATOM 0 HG22 ILE C 56 -3.301 5.403 -4.580 1.00 0.00 H new ATOM 0 HG23 ILE C 56 -3.319 3.890 -3.643 1.00 0.00 H new ATOM 0 HD11 ILE C 56 1.332 3.200 -2.523 1.00 0.00 H new ATOM 0 HD12 ILE C 56 1.120 3.228 -4.290 1.00 0.00 H new ATOM 0 HD13 ILE C 56 1.280 4.754 -3.388 1.00 0.00 H new ATOM 844 N PHE C 57 -3.614 3.454 -6.445 1.00 0.00 N ATOM 845 CA PHE C 57 -4.818 3.853 -7.155 1.00 0.00 C ATOM 846 C PHE C 57 -6.020 3.758 -6.223 1.00 0.00 C ATOM 847 O PHE C 57 -6.189 2.771 -5.515 1.00 0.00 O ATOM 848 CB PHE C 57 -5.056 2.963 -8.385 1.00 0.00 C ATOM 849 CG PHE C 57 -3.807 2.625 -9.140 1.00 0.00 C ATOM 850 CD1 PHE C 57 -3.010 1.567 -8.736 1.00 0.00 C ATOM 851 CD2 PHE C 57 -3.423 3.369 -10.240 1.00 0.00 C ATOM 852 CE1 PHE C 57 -1.852 1.261 -9.414 1.00 0.00 C ATOM 853 CE2 PHE C 57 -2.266 3.065 -10.923 1.00 0.00 C ATOM 854 CZ PHE C 57 -1.479 2.011 -10.507 1.00 0.00 C ATOM 0 H PHE C 57 -3.700 2.575 -5.934 1.00 0.00 H new ATOM 0 HA PHE C 57 -4.689 4.882 -7.491 1.00 0.00 H new ATOM 0 HB2 PHE C 57 -5.537 2.039 -8.065 1.00 0.00 H new ATOM 0 HB3 PHE C 57 -5.750 3.467 -9.057 1.00 0.00 H new ATOM 0 HD1 PHE C 57 -3.300 0.976 -7.880 1.00 0.00 H new ATOM 0 HD2 PHE C 57 -4.036 4.196 -10.567 1.00 0.00 H new ATOM 0 HE1 PHE C 57 -1.237 0.434 -9.090 1.00 0.00 H new ATOM 0 HE2 PHE C 57 -1.975 3.651 -11.783 1.00 0.00 H new ATOM 0 HZ PHE C 57 -0.570 1.774 -11.039 1.00 0.00 H new ATOM 864 N VAL C 58 -6.841 4.788 -6.204 1.00 0.00 N ATOM 865 CA VAL C 58 -8.088 4.742 -5.458 1.00 0.00 C ATOM 866 C VAL C 58 -9.235 4.552 -6.432 1.00 0.00 C ATOM 867 O VAL C 58 -9.456 5.392 -7.299 1.00 0.00 O ATOM 868 CB VAL C 58 -8.317 6.022 -4.623 1.00 0.00 C ATOM 869 CG1 VAL C 58 -9.680 5.992 -3.944 1.00 0.00 C ATOM 870 CG2 VAL C 58 -7.214 6.180 -3.588 1.00 0.00 C ATOM 0 H VAL C 58 -6.671 5.666 -6.694 1.00 0.00 H new ATOM 0 HA VAL C 58 -8.035 3.907 -4.759 1.00 0.00 H new ATOM 0 HB VAL C 58 -8.292 6.878 -5.297 1.00 0.00 H new ATOM 0 HG11 VAL C 58 -9.817 6.904 -3.363 1.00 0.00 H new ATOM 0 HG12 VAL C 58 -10.462 5.923 -4.700 1.00 0.00 H new ATOM 0 HG13 VAL C 58 -9.738 5.128 -3.282 1.00 0.00 H new ATOM 0 HG21 VAL C 58 -7.387 7.086 -3.007 1.00 0.00 H new ATOM 0 HG22 VAL C 58 -7.213 5.317 -2.923 1.00 0.00 H new ATOM 0 HG23 VAL C 58 -6.250 6.251 -4.092 1.00 0.00 H new ATOM 880 N ASN C 59 -9.933 3.425 -6.318 1.00 0.00 N ATOM 881 CA ASN C 59 -11.005 3.092 -7.260 1.00 0.00 C ATOM 882 C ASN C 59 -10.459 2.989 -8.684 1.00 0.00 C ATOM 883 O ASN C 59 -11.174 3.237 -9.654 1.00 0.00 O ATOM 884 CB ASN C 59 -12.130 4.136 -7.211 1.00 0.00 C ATOM 885 CG ASN C 59 -12.884 4.126 -5.900 1.00 0.00 C ATOM 886 OD1 ASN C 59 -13.047 3.081 -5.277 1.00 0.00 O ATOM 887 ND2 ASN C 59 -13.331 5.294 -5.463 1.00 0.00 N ATOM 0 H ASN C 59 -9.779 2.729 -5.588 1.00 0.00 H new ATOM 0 HA ASN C 59 -11.415 2.126 -6.965 1.00 0.00 H new ATOM 0 HB2 ASN C 59 -11.707 5.127 -7.374 1.00 0.00 H new ATOM 0 HB3 ASN C 59 -12.828 3.950 -8.027 1.00 0.00 H new ATOM 0 HD21 ASN C 59 -13.833 5.349 -4.577 1.00 0.00 H new ATOM 0 HD22 ASN C 59 -13.173 6.138 -6.013 1.00 0.00 H new ATOM 894 N GLY C 60 -9.181 2.643 -8.800 1.00 0.00 N ATOM 895 CA GLY C 60 -8.579 2.442 -10.104 1.00 0.00 C ATOM 896 C GLY C 60 -7.979 3.701 -10.715 1.00 0.00 C ATOM 897 O GLY C 60 -7.536 3.675 -11.861 1.00 0.00 O ATOM 0 H GLY C 60 -8.550 2.498 -8.011 1.00 0.00 H new ATOM 0 HA2 GLY C 60 -7.799 1.686 -10.019 1.00 0.00 H new ATOM 0 HA3 GLY C 60 -9.334 2.046 -10.783 1.00 0.00 H new ATOM 901 N GLU C 61 -7.958 4.804 -9.973 1.00 0.00 N ATOM 902 CA GLU C 61 -7.336 6.031 -10.471 1.00 0.00 C ATOM 903 C GLU C 61 -6.027 6.284 -9.729 1.00 0.00 C ATOM 904 O GLU C 61 -5.961 6.173 -8.504 1.00 0.00 O ATOM 905 CB GLU C 61 -8.286 7.228 -10.319 1.00 0.00 C ATOM 906 CG GLU C 61 -8.430 7.716 -8.890 1.00 0.00 C ATOM 907 CD GLU C 61 -9.659 8.575 -8.677 1.00 0.00 C ATOM 908 OE1 GLU C 61 -9.523 9.687 -8.132 1.00 0.00 O ATOM 909 OE2 GLU C 61 -10.772 8.140 -9.047 1.00 0.00 O1- ATOM 0 H GLU C 61 -8.358 4.876 -9.037 1.00 0.00 H new ATOM 0 HA GLU C 61 -7.123 5.909 -11.533 1.00 0.00 H new ATOM 0 HB2 GLU C 61 -7.924 8.048 -10.939 1.00 0.00 H new ATOM 0 HB3 GLU C 61 -9.269 6.951 -10.699 1.00 0.00 H new ATOM 0 HG2 GLU C 61 -8.475 6.856 -8.221 1.00 0.00 H new ATOM 0 HG3 GLU C 61 -7.543 8.287 -8.616 1.00 0.00 H new ATOM 916 N LYS C 62 -4.984 6.605 -10.479 1.00 0.00 N ATOM 917 CA LYS C 62 -3.654 6.796 -9.914 1.00 0.00 C ATOM 918 C LYS C 62 -3.612 7.999 -8.983 1.00 0.00 C ATOM 919 O LYS C 62 -4.048 9.093 -9.343 1.00 0.00 O ATOM 920 CB LYS C 62 -2.635 6.967 -11.036 1.00 0.00 C ATOM 921 CG LYS C 62 -1.210 7.196 -10.549 1.00 0.00 C ATOM 922 CD LYS C 62 -0.210 7.170 -11.697 1.00 0.00 C ATOM 923 CE LYS C 62 -0.451 8.295 -12.694 1.00 0.00 C ATOM 924 NZ LYS C 62 -0.234 9.639 -12.092 1.00 0.00 N1+ ATOM 0 H LYS C 62 -5.033 6.740 -11.489 1.00 0.00 H new ATOM 0 HA LYS C 62 -3.405 5.911 -9.328 1.00 0.00 H new ATOM 0 HB2 LYS C 62 -2.654 6.079 -11.668 1.00 0.00 H new ATOM 0 HB3 LYS C 62 -2.935 7.809 -11.660 1.00 0.00 H new ATOM 0 HG2 LYS C 62 -1.151 8.156 -10.037 1.00 0.00 H new ATOM 0 HG3 LYS C 62 -0.947 6.429 -9.820 1.00 0.00 H new ATOM 0 HD2 LYS C 62 0.801 7.251 -11.298 1.00 0.00 H new ATOM 0 HD3 LYS C 62 -0.274 6.211 -12.211 1.00 0.00 H new ATOM 0 HE2 LYS C 62 0.215 8.170 -13.548 1.00 0.00 H new ATOM 0 HE3 LYS C 62 -1.471 8.229 -13.073 1.00 0.00 H new ATOM 0 HZ1 LYS C 62 -0.276 10.364 -12.837 1.00 0.00 H new ATOM 0 HZ2 LYS C 62 -0.973 9.826 -11.385 1.00 0.00 H new ATOM 0 HZ3 LYS C 62 0.699 9.668 -11.634 1.00 0.00 H new ATOM 938 N VAL C 63 -3.095 7.776 -7.785 1.00 0.00 N ATOM 939 CA VAL C 63 -2.965 8.827 -6.789 1.00 0.00 C ATOM 940 C VAL C 63 -1.499 9.177 -6.556 1.00 0.00 C ATOM 941 O VAL C 63 -1.059 10.284 -6.864 1.00 0.00 O ATOM 942 CB VAL C 63 -3.611 8.416 -5.460 1.00 0.00 C ATOM 943 CG1 VAL C 63 -3.392 9.472 -4.384 1.00 0.00 C ATOM 944 CG2 VAL C 63 -5.092 8.143 -5.652 1.00 0.00 C ATOM 0 H VAL C 63 -2.755 6.865 -7.477 1.00 0.00 H new ATOM 0 HA VAL C 63 -3.484 9.705 -7.174 1.00 0.00 H new ATOM 0 HB VAL C 63 -3.129 7.498 -5.123 1.00 0.00 H new ATOM 0 HG11 VAL C 63 -3.863 9.149 -3.456 1.00 0.00 H new ATOM 0 HG12 VAL C 63 -2.323 9.609 -4.220 1.00 0.00 H new ATOM 0 HG13 VAL C 63 -3.833 10.416 -4.705 1.00 0.00 H new ATOM 0 HG21 VAL C 63 -5.535 7.853 -4.699 1.00 0.00 H new ATOM 0 HG22 VAL C 63 -5.583 9.043 -6.021 1.00 0.00 H new ATOM 0 HG23 VAL C 63 -5.223 7.337 -6.374 1.00 0.00 H new ATOM 954 N TYR C 64 -0.743 8.225 -6.028 1.00 0.00 N ATOM 955 CA TYR C 64 0.660 8.452 -5.713 1.00 0.00 C ATOM 956 C TYR C 64 1.524 7.358 -6.329 1.00 0.00 C ATOM 957 O TYR C 64 1.104 6.211 -6.419 1.00 0.00 O ATOM 958 CB TYR C 64 0.846 8.502 -4.190 1.00 0.00 C ATOM 959 CG TYR C 64 2.286 8.595 -3.741 1.00 0.00 C ATOM 960 CD1 TYR C 64 2.879 7.550 -3.047 1.00 0.00 C ATOM 961 CD2 TYR C 64 3.052 9.721 -4.012 1.00 0.00 C ATOM 962 CE1 TYR C 64 4.193 7.622 -2.636 1.00 0.00 C ATOM 963 CE2 TYR C 64 4.370 9.801 -3.606 1.00 0.00 C ATOM 964 CZ TYR C 64 4.937 8.748 -2.918 1.00 0.00 C ATOM 965 OH TYR C 64 6.249 8.824 -2.510 1.00 0.00 O ATOM 0 H TYR C 64 -1.078 7.287 -5.809 1.00 0.00 H new ATOM 0 HA TYR C 64 0.973 9.407 -6.135 1.00 0.00 H new ATOM 0 HB2 TYR C 64 0.299 9.359 -3.797 1.00 0.00 H new ATOM 0 HB3 TYR C 64 0.398 7.610 -3.752 1.00 0.00 H new ATOM 0 HD1 TYR C 64 2.301 6.665 -2.825 1.00 0.00 H new ATOM 0 HD2 TYR C 64 2.610 10.548 -4.549 1.00 0.00 H new ATOM 0 HE1 TYR C 64 4.638 6.800 -2.095 1.00 0.00 H new ATOM 0 HE2 TYR C 64 4.953 10.683 -3.826 1.00 0.00 H new ATOM 0 HH TYR C 64 6.629 9.683 -2.790 1.00 0.00 H new ATOM 975 N THR C 65 2.717 7.722 -6.768 1.00 0.00 N ATOM 976 CA THR C 65 3.650 6.763 -7.341 1.00 0.00 C ATOM 977 C THR C 65 4.992 6.867 -6.612 1.00 0.00 C ATOM 978 O THR C 65 5.385 7.961 -6.203 1.00 0.00 O ATOM 979 CB THR C 65 3.838 7.019 -8.857 1.00 0.00 C ATOM 980 OG1 THR C 65 4.650 6.003 -9.458 1.00 0.00 O ATOM 981 CG2 THR C 65 4.472 8.376 -9.115 1.00 0.00 C ATOM 0 H THR C 65 3.065 8.680 -6.739 1.00 0.00 H new ATOM 0 HA THR C 65 3.248 5.757 -7.218 1.00 0.00 H new ATOM 0 HB THR C 65 2.845 6.998 -9.306 1.00 0.00 H new ATOM 0 HG1 THR C 65 4.690 5.223 -8.866 1.00 0.00 H new ATOM 0 HG21 THR C 65 4.590 8.524 -10.188 1.00 0.00 H new ATOM 0 HG22 THR C 65 3.833 9.160 -8.709 1.00 0.00 H new ATOM 0 HG23 THR C 65 5.449 8.419 -8.633 1.00 0.00 H new ATOM 989 N PHE C 66 5.695 5.750 -6.433 1.00 0.00 N ATOM 990 CA PHE C 66 6.938 5.790 -5.658 1.00 0.00 C ATOM 991 C PHE C 66 7.913 4.674 -6.019 1.00 0.00 C ATOM 992 O PHE C 66 7.670 3.876 -6.922 1.00 0.00 O ATOM 993 CB PHE C 66 6.633 5.744 -4.151 1.00 0.00 C ATOM 994 CG PHE C 66 6.078 4.437 -3.628 1.00 0.00 C ATOM 995 CD1 PHE C 66 4.712 4.242 -3.493 1.00 0.00 C ATOM 996 CD2 PHE C 66 6.932 3.417 -3.234 1.00 0.00 C ATOM 997 CE1 PHE C 66 4.214 3.057 -2.976 1.00 0.00 C ATOM 998 CE2 PHE C 66 6.440 2.231 -2.724 1.00 0.00 C ATOM 999 CZ PHE C 66 5.080 2.052 -2.593 1.00 0.00 C ATOM 0 H PHE C 66 5.439 4.833 -6.800 1.00 0.00 H new ATOM 0 HA PHE C 66 7.424 6.732 -5.914 1.00 0.00 H new ATOM 0 HB2 PHE C 66 7.550 5.970 -3.607 1.00 0.00 H new ATOM 0 HB3 PHE C 66 5.922 6.537 -3.920 1.00 0.00 H new ATOM 0 HD1 PHE C 66 4.029 5.022 -3.794 1.00 0.00 H new ATOM 0 HD2 PHE C 66 7.999 3.552 -3.328 1.00 0.00 H new ATOM 0 HE1 PHE C 66 3.148 2.919 -2.872 1.00 0.00 H new ATOM 0 HE2 PHE C 66 7.120 1.446 -2.429 1.00 0.00 H new ATOM 0 HZ PHE C 66 4.692 1.127 -2.192 1.00 0.00 H new ATOM 1009 N ASN C 67 9.039 4.668 -5.312 1.00 0.00 N ATOM 1010 CA ASN C 67 10.023 3.596 -5.391 1.00 0.00 C ATOM 1011 C ASN C 67 10.144 2.946 -4.023 1.00 0.00 C ATOM 1012 O ASN C 67 10.315 3.633 -3.015 1.00 0.00 O ATOM 1013 CB ASN C 67 11.393 4.135 -5.841 1.00 0.00 C ATOM 1014 CG ASN C 67 11.999 5.147 -4.889 1.00 0.00 C ATOM 1015 OD1 ASN C 67 12.751 4.786 -3.986 1.00 0.00 O ATOM 1016 ND2 ASN C 67 11.689 6.419 -5.092 1.00 0.00 N ATOM 0 H ASN C 67 9.295 5.413 -4.664 1.00 0.00 H new ATOM 0 HA ASN C 67 9.695 2.863 -6.128 1.00 0.00 H new ATOM 0 HB2 ASN C 67 12.082 3.298 -5.953 1.00 0.00 H new ATOM 0 HB3 ASN C 67 11.287 4.594 -6.824 1.00 0.00 H new ATOM 0 HD21 ASN C 67 12.079 7.142 -4.487 1.00 0.00 H new ATOM 0 HD22 ASN C 67 11.061 6.676 -5.853 1.00 0.00 H new ATOM 1023 N GLU C 68 10.033 1.620 -3.981 1.00 0.00 N ATOM 1024 CA GLU C 68 10.062 0.902 -2.702 1.00 0.00 C ATOM 1025 C GLU C 68 11.381 1.096 -1.973 1.00 0.00 C ATOM 1026 O GLU C 68 11.430 1.031 -0.749 1.00 0.00 O ATOM 1027 CB GLU C 68 9.835 -0.602 -2.868 1.00 0.00 C ATOM 1028 CG GLU C 68 8.416 -1.018 -3.171 1.00 0.00 C ATOM 1029 CD GLU C 68 8.271 -2.529 -3.187 1.00 0.00 C ATOM 1030 OE1 GLU C 68 8.210 -3.118 -4.289 1.00 0.00 O ATOM 1031 OE2 GLU C 68 8.239 -3.140 -2.101 1.00 0.00 O1- ATOM 0 H GLU C 68 9.924 1.025 -4.803 1.00 0.00 H new ATOM 0 HA GLU C 68 9.246 1.329 -2.119 1.00 0.00 H new ATOM 0 HB2 GLU C 68 10.479 -0.962 -3.670 1.00 0.00 H new ATOM 0 HB3 GLU C 68 10.154 -1.103 -1.954 1.00 0.00 H new ATOM 0 HG2 GLU C 68 7.744 -0.595 -2.424 1.00 0.00 H new ATOM 0 HG3 GLU C 68 8.115 -0.612 -4.137 1.00 0.00 H new ATOM 1038 N LYS C 69 12.448 1.343 -2.721 1.00 0.00 N ATOM 1039 CA LYS C 69 13.780 1.366 -2.137 1.00 0.00 C ATOM 1040 C LYS C 69 14.093 2.698 -1.496 1.00 0.00 C ATOM 1041 O LYS C 69 15.255 2.998 -1.215 1.00 0.00 O ATOM 1042 CB LYS C 69 14.842 1.023 -3.170 1.00 0.00 C ATOM 1043 CG LYS C 69 14.937 2.009 -4.308 1.00 0.00 C ATOM 1044 CD LYS C 69 15.720 1.400 -5.448 1.00 0.00 C ATOM 1045 CE LYS C 69 15.841 2.332 -6.633 1.00 0.00 C ATOM 1046 NZ LYS C 69 16.665 3.533 -6.329 1.00 0.00 N1+ ATOM 0 H LYS C 69 12.418 1.528 -3.724 1.00 0.00 H new ATOM 0 HA LYS C 69 13.792 0.605 -1.357 1.00 0.00 H new ATOM 0 HB2 LYS C 69 15.810 0.964 -2.673 1.00 0.00 H new ATOM 0 HB3 LYS C 69 14.631 0.034 -3.577 1.00 0.00 H new ATOM 0 HG2 LYS C 69 13.938 2.285 -4.647 1.00 0.00 H new ATOM 0 HG3 LYS C 69 15.423 2.924 -3.969 1.00 0.00 H new ATOM 0 HD2 LYS C 69 16.717 1.133 -5.097 1.00 0.00 H new ATOM 0 HD3 LYS C 69 15.235 0.477 -5.765 1.00 0.00 H new ATOM 0 HE2 LYS C 69 16.284 1.794 -7.471 1.00 0.00 H new ATOM 0 HE3 LYS C 69 14.846 2.647 -6.947 1.00 0.00 H new ATOM 0 HZ1 LYS C 69 16.789 4.097 -7.194 1.00 0.00 H new ATOM 0 HZ2 LYS C 69 16.187 4.108 -5.606 1.00 0.00 H new ATOM 0 HZ3 LYS C 69 17.596 3.235 -5.974 1.00 0.00 H new ATOM 1060 N SER C 70 13.078 3.515 -1.278 1.00 0.00 N ATOM 1061 CA SER C 70 13.268 4.640 -0.409 1.00 0.00 C ATOM 1062 C SER C 70 13.323 4.110 1.030 1.00 0.00 C ATOM 1063 O SER C 70 14.217 3.340 1.386 1.00 0.00 O ATOM 1064 CB SER C 70 12.161 5.692 -0.557 1.00 0.00 C ATOM 1065 OG SER C 70 12.107 6.219 -1.871 1.00 0.00 O ATOM 0 H SER C 70 12.146 3.419 -1.680 1.00 0.00 H new ATOM 0 HA SER C 70 14.197 5.144 -0.676 1.00 0.00 H new ATOM 0 HB2 SER C 70 11.199 5.245 -0.305 1.00 0.00 H new ATOM 0 HB3 SER C 70 12.332 6.502 0.152 1.00 0.00 H new ATOM 0 HG SER C 70 12.561 5.607 -2.488 1.00 0.00 H new ATOM 1071 N THR C 71 12.373 4.512 1.854 1.00 0.00 N ATOM 1072 CA THR C 71 12.136 3.859 3.121 1.00 0.00 C ATOM 1073 C THR C 71 10.638 3.633 3.282 1.00 0.00 C ATOM 1074 O THR C 71 9.855 4.583 3.230 1.00 0.00 O ATOM 1075 CB THR C 71 12.689 4.696 4.289 1.00 0.00 C ATOM 1076 OG1 THR C 71 12.588 6.090 3.971 1.00 0.00 O ATOM 1077 CG2 THR C 71 14.139 4.342 4.585 1.00 0.00 C ATOM 0 H THR C 71 11.749 5.296 1.662 1.00 0.00 H new ATOM 0 HA THR C 71 12.656 2.901 3.135 1.00 0.00 H new ATOM 0 HB THR C 71 12.098 4.474 5.177 1.00 0.00 H new ATOM 0 HG1 THR C 71 13.481 6.493 3.979 1.00 0.00 H new ATOM 0 HG21 THR C 71 14.500 4.950 5.414 1.00 0.00 H new ATOM 0 HG22 THR C 71 14.209 3.287 4.851 1.00 0.00 H new ATOM 0 HG23 THR C 71 14.748 4.535 3.702 1.00 0.00 H new ATOM 1085 N VAL C 72 10.247 2.378 3.462 1.00 0.00 N ATOM 1086 CA VAL C 72 8.838 1.990 3.431 1.00 0.00 C ATOM 1087 C VAL C 72 8.023 2.723 4.490 1.00 0.00 C ATOM 1088 O VAL C 72 6.818 2.911 4.330 1.00 0.00 O ATOM 1089 CB VAL C 72 8.656 0.467 3.627 1.00 0.00 C ATOM 1090 CG1 VAL C 72 7.294 0.017 3.135 1.00 0.00 C ATOM 1091 CG2 VAL C 72 9.752 -0.308 2.920 1.00 0.00 C ATOM 0 H VAL C 72 10.889 1.604 3.632 1.00 0.00 H new ATOM 0 HA VAL C 72 8.473 2.270 2.443 1.00 0.00 H new ATOM 0 HB VAL C 72 8.724 0.260 4.695 1.00 0.00 H new ATOM 0 HG11 VAL C 72 7.190 -1.058 3.284 1.00 0.00 H new ATOM 0 HG12 VAL C 72 6.515 0.537 3.693 1.00 0.00 H new ATOM 0 HG13 VAL C 72 7.196 0.248 2.074 1.00 0.00 H new ATOM 0 HG21 VAL C 72 9.600 -1.376 3.074 1.00 0.00 H new ATOM 0 HG22 VAL C 72 9.723 -0.088 1.853 1.00 0.00 H new ATOM 0 HG23 VAL C 72 10.722 -0.018 3.324 1.00 0.00 H new ATOM 1101 N GLY C 73 8.684 3.163 5.547 1.00 0.00 N ATOM 1102 CA GLY C 73 7.984 3.815 6.637 1.00 0.00 C ATOM 1103 C GLY C 73 7.616 5.233 6.294 1.00 0.00 C ATOM 1104 O GLY C 73 6.541 5.719 6.652 1.00 0.00 O ATOM 0 H GLY C 73 9.693 3.082 5.672 1.00 0.00 H new ATOM 0 HA2 GLY C 73 7.082 3.253 6.878 1.00 0.00 H new ATOM 0 HA3 GLY C 73 8.611 3.807 7.528 1.00 0.00 H new ATOM 1108 N ASN C 74 8.505 5.890 5.575 1.00 0.00 N ATOM 1109 CA ASN C 74 8.271 7.246 5.127 1.00 0.00 C ATOM 1110 C ASN C 74 7.309 7.242 3.952 1.00 0.00 C ATOM 1111 O ASN C 74 6.530 8.172 3.769 1.00 0.00 O ATOM 1112 CB ASN C 74 9.596 7.905 4.747 1.00 0.00 C ATOM 1113 CG ASN C 74 10.469 8.161 5.960 1.00 0.00 C ATOM 1114 OD1 ASN C 74 9.989 8.589 7.008 1.00 0.00 O ATOM 1115 ND2 ASN C 74 11.747 7.848 5.848 1.00 0.00 N ATOM 0 H ASN C 74 9.403 5.501 5.287 1.00 0.00 H new ATOM 0 HA ASN C 74 7.822 7.823 5.936 1.00 0.00 H new ATOM 0 HB2 ASN C 74 10.130 7.266 4.044 1.00 0.00 H new ATOM 0 HB3 ASN C 74 9.399 8.847 4.236 1.00 0.00 H new ATOM 0 HD21 ASN C 74 12.371 7.959 6.647 1.00 0.00 H new ATOM 0 HD22 ASN C 74 12.110 7.496 4.962 1.00 0.00 H new ATOM 1122 N ILE C 75 7.354 6.174 3.166 1.00 0.00 N ATOM 1123 CA ILE C 75 6.439 6.021 2.047 1.00 0.00 C ATOM 1124 C ILE C 75 5.028 5.743 2.546 1.00 0.00 C ATOM 1125 O ILE C 75 4.107 6.528 2.317 1.00 0.00 O ATOM 1126 CB ILE C 75 6.855 4.861 1.120 1.00 0.00 C ATOM 1127 CG1 ILE C 75 8.276 5.063 0.591 1.00 0.00 C ATOM 1128 CG2 ILE C 75 5.872 4.739 -0.035 1.00 0.00 C ATOM 1129 CD1 ILE C 75 8.795 3.877 -0.192 1.00 0.00 C ATOM 0 H ILE C 75 8.013 5.404 3.284 1.00 0.00 H new ATOM 0 HA ILE C 75 6.470 6.956 1.487 1.00 0.00 H new ATOM 0 HB ILE C 75 6.840 3.937 1.699 1.00 0.00 H new ATOM 0 HG12 ILE C 75 8.297 5.948 -0.045 1.00 0.00 H new ATOM 0 HG13 ILE C 75 8.945 5.257 1.430 1.00 0.00 H new ATOM 0 HG21 ILE C 75 6.174 3.917 -0.684 1.00 0.00 H new ATOM 0 HG22 ILE C 75 4.873 4.544 0.356 1.00 0.00 H new ATOM 0 HG23 ILE C 75 5.864 5.668 -0.605 1.00 0.00 H new ATOM 0 HD11 ILE C 75 9.807 4.085 -0.539 1.00 0.00 H new ATOM 0 HD12 ILE C 75 8.805 2.995 0.448 1.00 0.00 H new ATOM 0 HD13 ILE C 75 8.147 3.696 -1.050 1.00 0.00 H new ATOM 1141 N SER C 76 4.880 4.628 3.251 1.00 0.00 N ATOM 1142 CA SER C 76 3.568 4.140 3.643 1.00 0.00 C ATOM 1143 C SER C 76 2.858 5.091 4.581 1.00 0.00 C ATOM 1144 O SER C 76 1.727 5.485 4.334 1.00 0.00 O ATOM 1145 CB SER C 76 3.676 2.766 4.301 1.00 0.00 C ATOM 1146 OG SER C 76 4.478 1.893 3.528 1.00 0.00 O ATOM 0 H SER C 76 5.656 4.045 3.563 1.00 0.00 H new ATOM 0 HA SER C 76 2.979 4.064 2.729 1.00 0.00 H new ATOM 0 HB2 SER C 76 4.103 2.870 5.299 1.00 0.00 H new ATOM 0 HB3 SER C 76 2.681 2.338 4.423 1.00 0.00 H new ATOM 0 HG SER C 76 5.396 2.234 3.496 1.00 0.00 H new ATOM 1152 N ASN C 77 3.520 5.469 5.650 1.00 0.00 N ATOM 1153 CA ASN C 77 2.844 6.230 6.689 1.00 0.00 C ATOM 1154 C ASN C 77 2.597 7.680 6.309 1.00 0.00 C ATOM 1155 O ASN C 77 1.783 8.332 6.949 1.00 0.00 O ATOM 1156 CB ASN C 77 3.504 6.097 8.062 1.00 0.00 C ATOM 1157 CG ASN C 77 3.015 4.846 8.778 1.00 0.00 C ATOM 1158 OD1 ASN C 77 3.715 3.835 8.835 1.00 0.00 O ATOM 1159 ND2 ASN C 77 1.773 4.887 9.278 1.00 0.00 N ATOM 0 H ASN C 77 4.505 5.270 5.827 1.00 0.00 H new ATOM 0 HA ASN C 77 1.861 5.769 6.778 1.00 0.00 H new ATOM 0 HB2 ASN C 77 4.587 6.056 7.947 1.00 0.00 H new ATOM 0 HB3 ASN C 77 3.280 6.977 8.665 1.00 0.00 H new ATOM 0 HD21 ASN C 77 1.376 4.061 9.726 1.00 0.00 H new ATOM 0 HD22 ASN C 77 1.224 5.744 9.211 1.00 0.00 H new ATOM 1166 N ASP C 78 3.268 8.196 5.279 1.00 0.00 N ATOM 1167 CA ASP C 78 2.834 9.469 4.691 1.00 0.00 C ATOM 1168 C ASP C 78 1.418 9.311 4.191 1.00 0.00 C ATOM 1169 O ASP C 78 0.543 10.111 4.506 1.00 0.00 O ATOM 1170 CB ASP C 78 3.713 9.910 3.526 1.00 0.00 C ATOM 1171 CG ASP C 78 4.851 10.811 3.955 1.00 0.00 C ATOM 1172 OD1 ASP C 78 5.119 11.811 3.254 1.00 0.00 O ATOM 1173 OD2 ASP C 78 5.467 10.545 5.004 1.00 0.00 O1- ATOM 0 H ASP C 78 4.087 7.772 4.844 1.00 0.00 H new ATOM 0 HA ASP C 78 2.907 10.231 5.467 1.00 0.00 H new ATOM 0 HB2 ASP C 78 4.121 9.029 3.031 1.00 0.00 H new ATOM 0 HB3 ASP C 78 3.100 10.432 2.792 1.00 0.00 H new ATOM 1178 N ILE C 79 1.211 8.240 3.429 1.00 0.00 N ATOM 1179 CA ILE C 79 -0.108 7.861 2.940 1.00 0.00 C ATOM 1180 C ILE C 79 -1.093 7.762 4.099 1.00 0.00 C ATOM 1181 O ILE C 79 -2.281 8.058 3.963 1.00 0.00 O ATOM 1182 CB ILE C 79 -0.056 6.491 2.220 1.00 0.00 C ATOM 1183 CG1 ILE C 79 0.860 6.553 0.997 1.00 0.00 C ATOM 1184 CG2 ILE C 79 -1.451 6.031 1.818 1.00 0.00 C ATOM 1185 CD1 ILE C 79 1.053 5.208 0.327 1.00 0.00 C ATOM 0 H ILE C 79 1.957 7.610 3.134 1.00 0.00 H new ATOM 0 HA ILE C 79 -0.434 8.628 2.238 1.00 0.00 H new ATOM 0 HB ILE C 79 0.354 5.763 2.920 1.00 0.00 H new ATOM 0 HG12 ILE C 79 0.444 7.255 0.275 1.00 0.00 H new ATOM 0 HG13 ILE C 79 1.832 6.944 1.298 1.00 0.00 H new ATOM 0 HG21 ILE C 79 -1.385 5.067 1.314 1.00 0.00 H new ATOM 0 HG22 ILE C 79 -2.073 5.934 2.708 1.00 0.00 H new ATOM 0 HG23 ILE C 79 -1.895 6.763 1.143 1.00 0.00 H new ATOM 0 HD11 ILE C 79 1.713 5.321 -0.533 1.00 0.00 H new ATOM 0 HD12 ILE C 79 1.497 4.509 1.036 1.00 0.00 H new ATOM 0 HD13 ILE C 79 0.088 4.825 -0.004 1.00 0.00 H new ATOM 1197 N ASN C 80 -0.580 7.371 5.250 1.00 0.00 N ATOM 1198 CA ASN C 80 -1.427 7.083 6.383 1.00 0.00 C ATOM 1199 C ASN C 80 -1.697 8.325 7.215 1.00 0.00 C ATOM 1200 O ASN C 80 -2.681 8.374 7.948 1.00 0.00 O ATOM 1201 CB ASN C 80 -0.815 5.981 7.252 1.00 0.00 C ATOM 1202 CG ASN C 80 -0.376 4.773 6.443 1.00 0.00 C ATOM 1203 OD1 ASN C 80 -0.971 4.429 5.432 1.00 0.00 O ATOM 1204 ND2 ASN C 80 0.680 4.116 6.891 1.00 0.00 N ATOM 0 H ASN C 80 0.418 7.247 5.421 1.00 0.00 H new ATOM 0 HA ASN C 80 -2.382 6.732 5.993 1.00 0.00 H new ATOM 0 HB2 ASN C 80 0.043 6.383 7.791 1.00 0.00 H new ATOM 0 HB3 ASN C 80 -1.543 5.667 8.000 1.00 0.00 H new ATOM 0 HD21 ASN C 80 1.021 3.296 6.390 1.00 0.00 H new ATOM 0 HD22 ASN C 80 1.154 4.429 7.738 1.00 0.00 H new ATOM 1211 N LYS C 81 -0.838 9.332 7.114 1.00 0.00 N ATOM 1212 CA LYS C 81 -1.125 10.616 7.745 1.00 0.00 C ATOM 1213 C LYS C 81 -2.396 11.165 7.129 1.00 0.00 C ATOM 1214 O LYS C 81 -3.245 11.746 7.799 1.00 0.00 O ATOM 1215 CB LYS C 81 0.009 11.626 7.528 1.00 0.00 C ATOM 1216 CG LYS C 81 1.395 11.101 7.857 1.00 0.00 C ATOM 1217 CD LYS C 81 1.524 10.679 9.309 1.00 0.00 C ATOM 1218 CE LYS C 81 2.863 10.004 9.556 1.00 0.00 C ATOM 1219 NZ LYS C 81 4.005 10.913 9.273 1.00 0.00 N1+ ATOM 0 H LYS C 81 0.048 9.288 6.611 1.00 0.00 H new ATOM 0 HA LYS C 81 -1.231 10.462 8.819 1.00 0.00 H new ATOM 0 HB2 LYS C 81 -0.005 11.950 6.487 1.00 0.00 H new ATOM 0 HB3 LYS C 81 -0.186 12.508 8.139 1.00 0.00 H new ATOM 0 HG2 LYS C 81 1.621 10.251 7.213 1.00 0.00 H new ATOM 0 HG3 LYS C 81 2.134 11.872 7.638 1.00 0.00 H new ATOM 0 HD2 LYS C 81 1.426 11.551 9.956 1.00 0.00 H new ATOM 0 HD3 LYS C 81 0.714 9.997 9.568 1.00 0.00 H new ATOM 0 HE2 LYS C 81 2.914 9.669 10.592 1.00 0.00 H new ATOM 0 HE3 LYS C 81 2.942 9.116 8.929 1.00 0.00 H new ATOM 0 HZ1 LYS C 81 4.889 10.471 9.597 1.00 0.00 H new ATOM 0 HZ2 LYS C 81 4.061 11.092 8.250 1.00 0.00 H new ATOM 0 HZ3 LYS C 81 3.865 11.813 9.774 1.00 0.00 H new ATOM 1233 N LEU C 82 -2.522 10.910 5.840 1.00 0.00 N ATOM 1234 CA LEU C 82 -3.608 11.432 5.031 1.00 0.00 C ATOM 1235 C LEU C 82 -4.952 10.869 5.483 1.00 0.00 C ATOM 1236 O LEU C 82 -5.982 11.510 5.288 1.00 0.00 O ATOM 1237 CB LEU C 82 -3.365 11.057 3.565 1.00 0.00 C ATOM 1238 CG LEU C 82 -1.896 11.064 3.115 1.00 0.00 C ATOM 1239 CD1 LEU C 82 -1.800 10.743 1.632 1.00 0.00 C ATOM 1240 CD2 LEU C 82 -1.245 12.413 3.402 1.00 0.00 C ATOM 0 H LEU C 82 -1.866 10.328 5.319 1.00 0.00 H new ATOM 0 HA LEU C 82 -3.637 12.516 5.146 1.00 0.00 H new ATOM 0 HB2 LEU C 82 -3.776 10.063 3.390 1.00 0.00 H new ATOM 0 HB3 LEU C 82 -3.923 11.748 2.934 1.00 0.00 H new ATOM 0 HG LEU C 82 -1.363 10.299 3.680 1.00 0.00 H new ATOM 0 HD11 LEU C 82 -0.754 10.751 1.325 1.00 0.00 H new ATOM 0 HD12 LEU C 82 -2.226 9.757 1.445 1.00 0.00 H new ATOM 0 HD13 LEU C 82 -2.351 11.490 1.062 1.00 0.00 H new ATOM 0 HD21 LEU C 82 -0.206 12.392 3.074 1.00 0.00 H new ATOM 0 HD22 LEU C 82 -1.779 13.197 2.865 1.00 0.00 H new ATOM 0 HD23 LEU C 82 -1.284 12.616 4.472 1.00 0.00 H new ATOM 1252 N ASN C 83 -4.916 9.698 6.128 1.00 0.00 N ATOM 1253 CA ASN C 83 -6.130 8.944 6.486 1.00 0.00 C ATOM 1254 C ASN C 83 -7.170 9.002 5.371 1.00 0.00 C ATOM 1255 O ASN C 83 -8.059 9.860 5.362 1.00 0.00 O ATOM 1256 CB ASN C 83 -6.715 9.430 7.813 1.00 0.00 C ATOM 1257 CG ASN C 83 -5.888 8.983 9.011 1.00 0.00 C ATOM 1258 OD1 ASN C 83 -5.855 9.657 10.038 1.00 0.00 O ATOM 1259 ND2 ASN C 83 -5.208 7.843 8.893 1.00 0.00 N ATOM 0 H ASN C 83 -4.049 9.245 6.417 1.00 0.00 H new ATOM 0 HA ASN C 83 -5.841 7.901 6.614 1.00 0.00 H new ATOM 0 HB2 ASN C 83 -6.776 10.518 7.803 1.00 0.00 H new ATOM 0 HB3 ASN C 83 -7.733 9.054 7.917 1.00 0.00 H new ATOM 0 HD21 ASN C 83 -4.638 7.506 9.669 1.00 0.00 H new ATOM 0 HD22 ASN C 83 -5.257 7.307 8.026 1.00 0.00 H new ATOM 1266 N ILE C 84 -7.046 8.072 4.437 1.00 0.00 N ATOM 1267 CA ILE C 84 -7.846 8.085 3.225 1.00 0.00 C ATOM 1268 C ILE C 84 -9.301 7.758 3.479 1.00 0.00 C ATOM 1269 O ILE C 84 -9.638 6.688 3.982 1.00 0.00 O ATOM 1270 CB ILE C 84 -7.323 7.083 2.196 1.00 0.00 C ATOM 1271 CG1 ILE C 84 -5.817 7.216 2.062 1.00 0.00 C ATOM 1272 CG2 ILE C 84 -8.003 7.304 0.850 1.00 0.00 C ATOM 1273 CD1 ILE C 84 -5.227 6.263 1.046 1.00 0.00 C ATOM 0 H ILE C 84 -6.392 7.292 4.498 1.00 0.00 H new ATOM 0 HA ILE C 84 -7.766 9.103 2.844 1.00 0.00 H new ATOM 0 HB ILE C 84 -7.555 6.073 2.535 1.00 0.00 H new ATOM 0 HG12 ILE C 84 -5.572 8.239 1.777 1.00 0.00 H new ATOM 0 HG13 ILE C 84 -5.354 7.036 3.032 1.00 0.00 H new ATOM 0 HG21 ILE C 84 -7.621 6.584 0.127 1.00 0.00 H new ATOM 0 HG22 ILE C 84 -9.079 7.172 0.960 1.00 0.00 H new ATOM 0 HG23 ILE C 84 -7.796 8.315 0.499 1.00 0.00 H new ATOM 0 HD11 ILE C 84 -4.148 6.407 0.996 1.00 0.00 H new ATOM 0 HD12 ILE C 84 -5.443 5.236 1.342 1.00 0.00 H new ATOM 0 HD13 ILE C 84 -5.664 6.458 0.067 1.00 0.00 H new ATOM 1285 N LYS C 85 -10.147 8.677 3.077 1.00 0.00 N ATOM 1286 CA LYS C 85 -11.585 8.465 3.057 1.00 0.00 C ATOM 1287 C LYS C 85 -11.959 7.672 1.808 1.00 0.00 C ATOM 1288 O LYS C 85 -12.781 8.100 0.994 1.00 0.00 O ATOM 1289 CB LYS C 85 -12.305 9.816 3.085 1.00 0.00 C ATOM 1290 CG LYS C 85 -11.654 10.856 2.160 1.00 0.00 C ATOM 1291 CD LYS C 85 -10.730 11.777 2.944 1.00 0.00 C ATOM 1292 CE LYS C 85 -9.849 12.604 2.024 1.00 0.00 C ATOM 1293 NZ LYS C 85 -10.647 13.463 1.110 1.00 0.00 N1+ ATOM 0 H LYS C 85 -9.861 9.600 2.752 1.00 0.00 H new ATOM 0 HA LYS C 85 -11.891 7.897 3.936 1.00 0.00 H new ATOM 0 HB2 LYS C 85 -13.345 9.675 2.790 1.00 0.00 H new ATOM 0 HB3 LYS C 85 -12.312 10.198 4.106 1.00 0.00 H new ATOM 0 HG2 LYS C 85 -11.090 10.350 1.377 1.00 0.00 H new ATOM 0 HG3 LYS C 85 -12.427 11.444 1.666 1.00 0.00 H new ATOM 0 HD2 LYS C 85 -11.325 12.441 3.572 1.00 0.00 H new ATOM 0 HD3 LYS C 85 -10.104 11.183 3.610 1.00 0.00 H new ATOM 0 HE2 LYS C 85 -9.187 13.229 2.623 1.00 0.00 H new ATOM 0 HE3 LYS C 85 -9.215 11.940 1.436 1.00 0.00 H new ATOM 0 HZ1 LYS C 85 -10.008 14.072 0.559 1.00 0.00 H new ATOM 0 HZ2 LYS C 85 -11.198 12.864 0.463 1.00 0.00 H new ATOM 0 HZ3 LYS C 85 -11.294 14.056 1.668 1.00 0.00 H new ATOM 1307 N GLY C 86 -11.332 6.517 1.663 1.00 0.00 N ATOM 1308 CA GLY C 86 -11.492 5.715 0.476 1.00 0.00 C ATOM 1309 C GLY C 86 -12.195 4.403 0.766 1.00 0.00 C ATOM 1310 O GLY C 86 -12.212 3.953 1.912 1.00 0.00 O ATOM 0 H GLY C 86 -10.705 6.117 2.361 1.00 0.00 H new ATOM 0 HA2 GLY C 86 -12.062 6.275 -0.266 1.00 0.00 H new ATOM 0 HA3 GLY C 86 -10.513 5.513 0.040 1.00 0.00 H new ATOM 1314 N PRO C 87 -12.788 3.764 -0.251 1.00 0.00 N ATOM 1315 CA PRO C 87 -13.448 2.469 -0.092 1.00 0.00 C ATOM 1316 C PRO C 87 -12.447 1.314 -0.125 1.00 0.00 C ATOM 1317 O PRO C 87 -12.280 0.599 0.858 1.00 0.00 O ATOM 1318 CB PRO C 87 -14.384 2.421 -1.296 1.00 0.00 C ATOM 1319 CG PRO C 87 -13.666 3.192 -2.347 1.00 0.00 C ATOM 1320 CD PRO C 87 -12.891 4.269 -1.632 1.00 0.00 C ATOM 0 HA PRO C 87 -13.961 2.366 0.864 1.00 0.00 H new ATOM 0 HB2 PRO C 87 -14.573 1.395 -1.613 1.00 0.00 H new ATOM 0 HB3 PRO C 87 -15.352 2.867 -1.066 1.00 0.00 H new ATOM 0 HG2 PRO C 87 -12.998 2.545 -2.915 1.00 0.00 H new ATOM 0 HG3 PRO C 87 -14.369 3.627 -3.058 1.00 0.00 H new ATOM 0 HD2 PRO C 87 -11.908 4.419 -2.078 1.00 0.00 H new ATOM 0 HD3 PRO C 87 -13.408 5.228 -1.671 1.00 0.00 H new ATOM 1328 N TYR C 88 -11.767 1.149 -1.252 1.00 0.00 N ATOM 1329 CA TYR C 88 -10.712 0.169 -1.369 1.00 0.00 C ATOM 1330 C TYR C 88 -9.502 0.802 -2.047 1.00 0.00 C ATOM 1331 O TYR C 88 -9.625 1.467 -3.089 1.00 0.00 O ATOM 1332 CB TYR C 88 -11.186 -1.090 -2.116 1.00 0.00 C ATOM 1333 CG TYR C 88 -11.666 -0.835 -3.531 1.00 0.00 C ATOM 1334 CD1 TYR C 88 -12.943 -0.348 -3.781 1.00 0.00 C ATOM 1335 CD2 TYR C 88 -10.836 -1.084 -4.618 1.00 0.00 C ATOM 1336 CE1 TYR C 88 -13.377 -0.112 -5.072 1.00 0.00 C ATOM 1337 CE2 TYR C 88 -11.263 -0.851 -5.911 1.00 0.00 C ATOM 1338 CZ TYR C 88 -12.532 -0.365 -6.133 1.00 0.00 C ATOM 1339 OH TYR C 88 -12.958 -0.128 -7.422 1.00 0.00 O ATOM 0 H TYR C 88 -11.934 1.689 -2.101 1.00 0.00 H new ATOM 0 HA TYR C 88 -10.424 -0.155 -0.369 1.00 0.00 H new ATOM 0 HB2 TYR C 88 -10.367 -1.809 -2.147 1.00 0.00 H new ATOM 0 HB3 TYR C 88 -11.994 -1.552 -1.549 1.00 0.00 H new ATOM 0 HD1 TYR C 88 -13.608 -0.151 -2.953 1.00 0.00 H new ATOM 0 HD2 TYR C 88 -9.840 -1.466 -4.449 1.00 0.00 H new ATOM 0 HE1 TYR C 88 -14.372 0.268 -5.249 1.00 0.00 H new ATOM 0 HE2 TYR C 88 -10.605 -1.049 -6.744 1.00 0.00 H new ATOM 0 HH TYR C 88 -12.242 -0.357 -8.051 1.00 0.00 H new ATOM 1349 N ILE C 89 -8.343 0.636 -1.430 1.00 0.00 N ATOM 1350 CA ILE C 89 -7.127 1.270 -1.906 1.00 0.00 C ATOM 1351 C ILE C 89 -6.251 0.270 -2.636 1.00 0.00 C ATOM 1352 O ILE C 89 -5.823 -0.738 -2.074 1.00 0.00 O ATOM 1353 CB ILE C 89 -6.335 1.903 -0.747 1.00 0.00 C ATOM 1354 CG1 ILE C 89 -7.267 2.775 0.094 1.00 0.00 C ATOM 1355 CG2 ILE C 89 -5.163 2.721 -1.276 1.00 0.00 C ATOM 1356 CD1 ILE C 89 -7.803 3.991 -0.631 1.00 0.00 C ATOM 0 H ILE C 89 -8.220 0.064 -0.594 1.00 0.00 H new ATOM 0 HA ILE C 89 -7.420 2.060 -2.597 1.00 0.00 H new ATOM 0 HB ILE C 89 -5.930 1.109 -0.120 1.00 0.00 H new ATOM 0 HG12 ILE C 89 -8.107 2.168 0.432 1.00 0.00 H new ATOM 0 HG13 ILE C 89 -6.732 3.104 0.985 1.00 0.00 H new ATOM 0 HG21 ILE C 89 -4.618 3.159 -0.440 1.00 0.00 H new ATOM 0 HG22 ILE C 89 -4.496 2.074 -1.845 1.00 0.00 H new ATOM 0 HG23 ILE C 89 -5.536 3.516 -1.922 1.00 0.00 H new ATOM 0 HD11 ILE C 89 -8.455 4.554 0.036 1.00 0.00 H new ATOM 0 HD12 ILE C 89 -6.972 4.623 -0.945 1.00 0.00 H new ATOM 0 HD13 ILE C 89 -8.368 3.673 -1.507 1.00 0.00 H new ATOM 1368 N GLU C 90 -5.993 0.569 -3.890 1.00 0.00 N ATOM 1369 CA GLU C 90 -5.236 -0.306 -4.752 1.00 0.00 C ATOM 1370 C GLU C 90 -3.763 0.058 -4.713 1.00 0.00 C ATOM 1371 O GLU C 90 -3.327 1.004 -5.367 1.00 0.00 O ATOM 1372 CB GLU C 90 -5.772 -0.176 -6.165 1.00 0.00 C ATOM 1373 CG GLU C 90 -7.256 -0.481 -6.265 1.00 0.00 C ATOM 1374 CD GLU C 90 -7.550 -1.967 -6.299 1.00 0.00 C ATOM 1375 OE1 GLU C 90 -7.576 -2.605 -5.230 1.00 0.00 O ATOM 1376 OE2 GLU C 90 -7.763 -2.503 -7.407 1.00 0.00 O1- ATOM 0 H GLU C 90 -6.304 1.430 -4.340 1.00 0.00 H new ATOM 0 HA GLU C 90 -5.338 -1.336 -4.411 1.00 0.00 H new ATOM 0 HB2 GLU C 90 -5.589 0.836 -6.526 1.00 0.00 H new ATOM 0 HB3 GLU C 90 -5.222 -0.852 -6.820 1.00 0.00 H new ATOM 0 HG2 GLU C 90 -7.772 -0.033 -5.416 1.00 0.00 H new ATOM 0 HG3 GLU C 90 -7.658 -0.015 -7.165 1.00 0.00 H new ATOM 1383 N ILE C 91 -3.003 -0.684 -3.938 1.00 0.00 N ATOM 1384 CA ILE C 91 -1.587 -0.420 -3.789 1.00 0.00 C ATOM 1385 C ILE C 91 -0.783 -1.537 -4.454 1.00 0.00 C ATOM 1386 O ILE C 91 -0.677 -2.634 -3.916 1.00 0.00 O ATOM 1387 CB ILE C 91 -1.217 -0.291 -2.287 1.00 0.00 C ATOM 1388 CG1 ILE C 91 -2.133 0.732 -1.606 1.00 0.00 C ATOM 1389 CG2 ILE C 91 0.238 0.109 -2.103 1.00 0.00 C ATOM 1390 CD1 ILE C 91 -1.641 1.190 -0.248 1.00 0.00 C ATOM 0 H ILE C 91 -3.343 -1.480 -3.398 1.00 0.00 H new ATOM 0 HA ILE C 91 -1.344 0.524 -4.278 1.00 0.00 H new ATOM 0 HB ILE C 91 -1.357 -1.268 -1.823 1.00 0.00 H new ATOM 0 HG12 ILE C 91 -2.237 1.601 -2.256 1.00 0.00 H new ATOM 0 HG13 ILE C 91 -3.126 0.297 -1.494 1.00 0.00 H new ATOM 0 HG21 ILE C 91 0.461 0.190 -1.039 1.00 0.00 H new ATOM 0 HG22 ILE C 91 0.883 -0.646 -2.553 1.00 0.00 H new ATOM 0 HG23 ILE C 91 0.415 1.071 -2.585 1.00 0.00 H new ATOM 0 HD11 ILE C 91 -2.343 1.912 0.169 1.00 0.00 H new ATOM 0 HD12 ILE C 91 -1.564 0.332 0.420 1.00 0.00 H new ATOM 0 HD13 ILE C 91 -0.661 1.656 -0.354 1.00 0.00 H new ATOM 1402 N LYS C 92 -0.229 -1.263 -5.637 1.00 0.00 N ATOM 1403 CA LYS C 92 0.511 -2.276 -6.384 1.00 0.00 C ATOM 1404 C LYS C 92 1.386 -1.613 -7.437 1.00 0.00 C ATOM 1405 O LYS C 92 1.109 -0.503 -7.882 1.00 0.00 O ATOM 1406 CB LYS C 92 -0.431 -3.278 -7.067 1.00 0.00 C ATOM 1407 CG LYS C 92 -1.261 -2.678 -8.194 1.00 0.00 C ATOM 1408 CD LYS C 92 -2.543 -2.036 -7.688 1.00 0.00 C ATOM 1409 CE LYS C 92 -3.529 -3.080 -7.177 1.00 0.00 C ATOM 1410 NZ LYS C 92 -3.958 -4.015 -8.251 1.00 0.00 N1+ ATOM 0 H LYS C 92 -0.279 -0.353 -6.094 1.00 0.00 H new ATOM 0 HA LYS C 92 1.132 -2.819 -5.672 1.00 0.00 H new ATOM 0 HB2 LYS C 92 0.159 -4.104 -7.464 1.00 0.00 H new ATOM 0 HB3 LYS C 92 -1.103 -3.698 -6.318 1.00 0.00 H new ATOM 0 HG2 LYS C 92 -0.667 -1.932 -8.722 1.00 0.00 H new ATOM 0 HG3 LYS C 92 -1.508 -3.457 -8.915 1.00 0.00 H new ATOM 0 HD2 LYS C 92 -2.308 -1.334 -6.888 1.00 0.00 H new ATOM 0 HD3 LYS C 92 -3.004 -1.461 -8.491 1.00 0.00 H new ATOM 0 HE2 LYS C 92 -3.070 -3.646 -6.366 1.00 0.00 H new ATOM 0 HE3 LYS C 92 -4.404 -2.580 -6.761 1.00 0.00 H new ATOM 0 HZ1 LYS C 92 -4.821 -4.513 -7.953 1.00 0.00 H new ATOM 0 HZ2 LYS C 92 -4.150 -3.479 -9.121 1.00 0.00 H new ATOM 0 HZ3 LYS C 92 -3.203 -4.708 -8.430 1.00 0.00 H new ATOM 1424 N GLN C 93 2.445 -2.296 -7.830 1.00 0.00 N ATOM 1425 CA GLN C 93 3.349 -1.768 -8.835 1.00 0.00 C ATOM 1426 C GLN C 93 2.779 -1.949 -10.228 1.00 0.00 C ATOM 1427 O GLN C 93 1.863 -2.747 -10.439 1.00 0.00 O ATOM 1428 CB GLN C 93 4.715 -2.423 -8.746 1.00 0.00 C ATOM 1429 CG GLN C 93 4.788 -3.587 -7.772 1.00 0.00 C ATOM 1430 CD GLN C 93 6.142 -4.262 -7.771 1.00 0.00 C ATOM 1431 OE1 GLN C 93 6.251 -5.457 -7.500 1.00 0.00 O ATOM 1432 NE2 GLN C 93 7.182 -3.506 -8.086 1.00 0.00 N ATOM 0 H GLN C 93 2.700 -3.216 -7.470 1.00 0.00 H new ATOM 0 HA GLN C 93 3.464 -0.702 -8.640 1.00 0.00 H new ATOM 0 HB2 GLN C 93 5.001 -2.775 -9.737 1.00 0.00 H new ATOM 0 HB3 GLN C 93 5.447 -1.671 -8.451 1.00 0.00 H new ATOM 0 HG2 GLN C 93 4.564 -3.229 -6.767 1.00 0.00 H new ATOM 0 HG3 GLN C 93 4.022 -4.319 -8.028 1.00 0.00 H new ATOM 0 HE21 GLN C 93 7.047 -2.519 -8.304 1.00 0.00 H new ATOM 0 HE22 GLN C 93 8.118 -3.911 -8.111 1.00 0.00 H new ATOM 1441 N ILE C 94 3.350 -1.232 -11.178 1.00 0.00 N ATOM 1442 CA ILE C 94 2.782 -1.149 -12.511 1.00 0.00 C ATOM 1443 C ILE C 94 3.798 -1.532 -13.576 1.00 0.00 C ATOM 1444 O ILE C 94 4.326 -0.636 -14.261 1.00 0.00 O ATOM 1445 CB ILE C 94 2.244 0.272 -12.768 1.00 0.00 C ATOM 1446 CG1 ILE C 94 3.178 1.312 -12.129 1.00 0.00 C ATOM 1447 CG2 ILE C 94 0.833 0.398 -12.231 1.00 0.00 C ATOM 1448 CD1 ILE C 94 2.545 2.660 -11.883 1.00 0.00 C ATOM 1449 OXT ILE C 94 4.076 -2.738 -13.711 1.00 0.00 O ATOM 0 H ILE C 94 4.209 -0.697 -11.051 1.00 0.00 H new ATOM 0 HA ILE C 94 1.958 -1.860 -12.571 1.00 0.00 H new ATOM 0 HB ILE C 94 2.215 0.458 -13.842 1.00 0.00 H new ATOM 0 HG12 ILE C 94 3.543 0.918 -11.180 1.00 0.00 H new ATOM 0 HG13 ILE C 94 4.046 1.446 -12.774 1.00 0.00 H new ATOM 0 HG21 ILE C 94 0.461 1.406 -12.417 1.00 0.00 H new ATOM 0 HG22 ILE C 94 0.188 -0.325 -12.730 1.00 0.00 H new ATOM 0 HG23 ILE C 94 0.833 0.204 -11.158 1.00 0.00 H new ATOM 0 HD11 ILE C 94 3.277 3.329 -11.431 1.00 0.00 H new ATOM 0 HD12 ILE C 94 2.206 3.081 -12.829 1.00 0.00 H new ATOM 0 HD13 ILE C 94 1.694 2.545 -11.211 1.00 0.00 H new TER 1461 ILE C 94