USER MOD reduce.3.24.130724 H: found=0, std=0, add=730, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 728 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: C 77 ASN :FLIP amide:sc= -1.05 F(o=-14!,f=-5.3) USER MOD Set 1.2: C 80 ASN : amide:sc= -4.26! C(o=-5.3!,f=-11!) USER MOD Set 2.1: C 70 SER OG : rot 180:sc= 0.347 USER MOD Set 2.2: C 71 THR OG1 : rot 120:sc= 1.12 USER MOD Set 2.3: C 74 ASN : amide:sc= 0.223 K(o=1.7,f=-0.4) USER MOD Set 3.1: C 62 LYS NZ :NH3+ 138:sc= 1.28 (180deg=-0.107) USER MOD Set 3.2: C 65 THR OG1 : rot 91:sc= 1 USER MOD Set 4.1: C 40 SER OG : rot 100:sc= 0.308 USER MOD Set 4.2: C 76 SER OG : rot 153:sc= 0.618 USER MOD Set 5.1: C 35 GLN : amide:sc= -0.339 X(o=-4.4,f=-4) USER MOD Set 5.2: C 83 ASN : amide:sc= -4.1! C(o=-4.4!,f=-4!) USER MOD Set 6.1: C 30 SER OG : rot 146:sc= 1.01 USER MOD Set 6.2: C 37 LYS NZ :NH3+ -152:sc= 1.26 (180deg=-0.00259) USER MOD Set 7.1: C 26 LYS NZ :NH3+ -116:sc= 1.06 (180deg=0.731) USER MOD Set 7.2: C 42 ASN : amide:sc= 0.91 K(o=2,f=-5.8!) USER MOD Set 8.1: C 11 ASN : amide:sc= 0.00176 X(o=-0.44,f=-0.62) USER MOD Set 8.2: C 14 ASN : amide:sc= -0.441 X(o=-0.44,f=-0.4) USER MOD Set 9.1: C 3 GLN : amide:sc= -3.83! C(o=-2.9!,f=-12!) USER MOD Set 9.2: C 12 SER OG : rot -130:sc= 0.948 USER MOD Single : C 1 ASP N :NH3+ -139:sc= 0.104 (180deg=0) USER MOD Single : C 2 ASN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : C 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 9 GLN : amide:sc= 1.03 K(o=1,f=-0.28) USER MOD Single : C 10 MET CE :methyl 143:sc= -0.0785 (180deg=-0.481) USER MOD Single : C 15 SER OG : rot 180:sc= 0 USER MOD Single : C 17 ASN : amide:sc= 0.391 K(o=0.39,f=-7.5!) USER MOD Single : C 19 LYS NZ :NH3+ -148:sc= -1.96! (180deg=-3.92!) USER MOD Single : C 21 ASN : amide:sc= 0.618 K(o=0.62,f=-0.83) USER MOD Single : C 22 LYS NZ :NH3+ -109:sc= 1.76 (180deg=-0.22) USER MOD Single : C 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 28 SER OG : rot 180:sc= 0 USER MOD Single : C 31 MET CE :methyl 133:sc= -2.07 (180deg=-4.03) USER MOD Single : C 32 ASN :FLIP amide:sc=-0.00202 F(o=-0.88,f=-0.002) USER MOD Single : C 34 ASN : amide:sc= -0.852! X(o=-0.85!,f=-0.45) USER MOD Single : C 39 THR OG1 : rot 180:sc= 0 USER MOD Single : C 41 SER OG : rot 180:sc= 0.22 USER MOD Single : C 45 TYR OH : rot 180:sc= 0 USER MOD Single : C 48 SER OG : rot 180:sc= 0.162 USER MOD Single : C 49 TYR OH : rot 180:sc= 0 USER MOD Single : C 52 LYS NZ :NH3+ 171:sc=-0.00703 (180deg=-0.121) USER MOD Single : C 53 ASN : amide:sc= -3.59! C(o=-3.6!,f=-3.8!) USER MOD Single : C 59 ASN : amide:sc= -0.537 K(o=-0.54,f=-5.1!) USER MOD Single : C 64 TYR OH : rot 180:sc= -0.441 USER MOD Single : C 67 ASN : amide:sc= -1.06 K(o=-1.1,f=-7.8!) USER MOD Single : C 69 LYS NZ :NH3+ -123:sc= -0.0904 (180deg=-0.471) USER MOD Single : C 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 85 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0389) USER MOD Single : C 88 TYR OH : rot -123:sc= 1.33 USER MOD Single : C 92 LYS NZ :NH3+ -122:sc= 1.08 (180deg=-0.273) USER MOD Single : C 93 GLN :FLIP amide:sc= -0.544 F(o=-2.2!,f=-0.54) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP C 1 -15.227 0.325 -9.001 1.00 0.00 N ATOM 2 CA ASP C 1 -14.603 -0.827 -8.309 1.00 0.00 C ATOM 3 C ASP C 1 -15.286 -2.116 -8.754 1.00 0.00 C ATOM 4 O ASP C 1 -15.886 -2.160 -9.826 1.00 0.00 O ATOM 5 CB ASP C 1 -14.717 -0.656 -6.789 1.00 0.00 C ATOM 6 CG ASP C 1 -16.139 -0.780 -6.291 1.00 0.00 C ATOM 7 OD1 ASP C 1 -16.906 0.199 -6.407 1.00 0.00 O ATOM 8 OD2 ASP C 1 -16.492 -1.854 -5.785 1.00 0.00 O1- ATOM 0 H1 ASP C 1 -14.488 0.996 -9.293 1.00 0.00 H new ATOM 0 H2 ASP C 1 -15.741 -0.011 -9.841 1.00 0.00 H new ATOM 0 H3 ASP C 1 -15.891 0.799 -8.356 1.00 0.00 H new ATOM 0 HA ASP C 1 -13.546 -0.876 -8.569 1.00 0.00 H new ATOM 0 HB2 ASP C 1 -14.098 -1.405 -6.296 1.00 0.00 H new ATOM 0 HB3 ASP C 1 -14.322 0.320 -6.507 1.00 0.00 H new ATOM 13 N ASN C 2 -15.190 -3.160 -7.938 1.00 0.00 N ATOM 14 CA ASN C 2 -15.797 -4.447 -8.264 1.00 0.00 C ATOM 15 C ASN C 2 -16.030 -5.265 -6.999 1.00 0.00 C ATOM 16 O ASN C 2 -16.700 -6.295 -7.034 1.00 0.00 O ATOM 17 CB ASN C 2 -14.927 -5.240 -9.252 1.00 0.00 C ATOM 18 CG ASN C 2 -13.692 -5.853 -8.608 1.00 0.00 C ATOM 19 OD1 ASN C 2 -13.737 -6.975 -8.106 1.00 0.00 O ATOM 20 ND2 ASN C 2 -12.582 -5.130 -8.629 1.00 0.00 N ATOM 0 H ASN C 2 -14.697 -3.141 -7.045 1.00 0.00 H new ATOM 0 HA ASN C 2 -16.758 -4.249 -8.739 1.00 0.00 H new ATOM 0 HB2 ASN C 2 -15.527 -6.033 -9.698 1.00 0.00 H new ATOM 0 HB3 ASN C 2 -14.616 -4.581 -10.062 1.00 0.00 H new ATOM 0 HD21 ASN C 2 -11.724 -5.500 -8.219 1.00 0.00 H new ATOM 0 HD22 ASN C 2 -12.585 -4.203 -9.055 1.00 0.00 H new ATOM 27 N GLN C 3 -15.481 -4.802 -5.882 1.00 0.00 N ATOM 28 CA GLN C 3 -15.746 -5.425 -4.591 1.00 0.00 C ATOM 29 C GLN C 3 -16.947 -4.764 -3.942 1.00 0.00 C ATOM 30 O GLN C 3 -17.117 -4.814 -2.728 1.00 0.00 O ATOM 31 CB GLN C 3 -14.542 -5.322 -3.654 1.00 0.00 C ATOM 32 CG GLN C 3 -13.308 -6.091 -4.098 1.00 0.00 C ATOM 33 CD GLN C 3 -13.556 -7.578 -4.304 1.00 0.00 C ATOM 34 OE1 GLN C 3 -14.651 -8.002 -4.666 1.00 0.00 O ATOM 35 NE2 GLN C 3 -12.533 -8.383 -4.075 1.00 0.00 N ATOM 0 H GLN C 3 -14.852 -4.000 -5.844 1.00 0.00 H new ATOM 0 HA GLN C 3 -15.947 -6.482 -4.767 1.00 0.00 H new ATOM 0 HB2 GLN C 3 -14.276 -4.271 -3.545 1.00 0.00 H new ATOM 0 HB3 GLN C 3 -14.838 -5.680 -2.668 1.00 0.00 H new ATOM 0 HG2 GLN C 3 -12.938 -5.661 -5.029 1.00 0.00 H new ATOM 0 HG3 GLN C 3 -12.523 -5.962 -3.353 1.00 0.00 H new ATOM 0 HE21 GLN C 3 -11.638 -7.997 -3.775 1.00 0.00 H new ATOM 0 HE22 GLN C 3 -12.639 -9.390 -4.198 1.00 0.00 H new ATOM 44 N LYS C 4 -17.763 -4.139 -4.775 1.00 0.00 N ATOM 45 CA LYS C 4 -18.935 -3.395 -4.339 1.00 0.00 C ATOM 46 C LYS C 4 -19.829 -4.256 -3.446 1.00 0.00 C ATOM 47 O LYS C 4 -20.291 -3.804 -2.399 1.00 0.00 O ATOM 48 CB LYS C 4 -19.682 -2.895 -5.589 1.00 0.00 C ATOM 49 CG LYS C 4 -20.777 -1.855 -5.329 1.00 0.00 C ATOM 50 CD LYS C 4 -22.019 -2.436 -4.656 1.00 0.00 C ATOM 51 CE LYS C 4 -22.724 -3.462 -5.532 1.00 0.00 C ATOM 52 NZ LYS C 4 -23.966 -3.978 -4.895 1.00 0.00 N1+ ATOM 0 H LYS C 4 -17.629 -4.134 -5.786 1.00 0.00 H new ATOM 0 HA LYS C 4 -18.633 -2.538 -3.736 1.00 0.00 H new ATOM 0 HB2 LYS C 4 -18.955 -2.467 -6.279 1.00 0.00 H new ATOM 0 HB3 LYS C 4 -20.131 -3.752 -6.090 1.00 0.00 H new ATOM 0 HG2 LYS C 4 -20.372 -1.061 -4.702 1.00 0.00 H new ATOM 0 HG3 LYS C 4 -21.066 -1.398 -6.276 1.00 0.00 H new ATOM 0 HD2 LYS C 4 -21.734 -2.902 -3.713 1.00 0.00 H new ATOM 0 HD3 LYS C 4 -22.711 -1.629 -4.417 1.00 0.00 H new ATOM 0 HE2 LYS C 4 -22.970 -3.011 -6.493 1.00 0.00 H new ATOM 0 HE3 LYS C 4 -22.048 -4.293 -5.734 1.00 0.00 H new ATOM 0 HZ1 LYS C 4 -24.415 -4.674 -5.524 1.00 0.00 H new ATOM 0 HZ2 LYS C 4 -23.729 -4.432 -3.990 1.00 0.00 H new ATOM 0 HZ3 LYS C 4 -24.623 -3.190 -4.726 1.00 0.00 H new ATOM 66 N ALA C 5 -20.060 -5.498 -3.854 1.00 0.00 N ATOM 67 CA ALA C 5 -20.890 -6.413 -3.079 1.00 0.00 C ATOM 68 C ALA C 5 -20.148 -6.917 -1.851 1.00 0.00 C ATOM 69 O ALA C 5 -20.756 -7.298 -0.851 1.00 0.00 O ATOM 70 CB ALA C 5 -21.339 -7.581 -3.942 1.00 0.00 C ATOM 0 H ALA C 5 -19.685 -5.895 -4.716 1.00 0.00 H new ATOM 0 HA ALA C 5 -21.771 -5.867 -2.742 1.00 0.00 H new ATOM 0 HB1 ALA C 5 -21.958 -8.255 -3.349 1.00 0.00 H new ATOM 0 HB2 ALA C 5 -21.917 -7.208 -4.788 1.00 0.00 H new ATOM 0 HB3 ALA C 5 -20.465 -8.119 -4.309 1.00 0.00 H new ATOM 76 N LEU C 6 -18.830 -6.918 -1.940 1.00 0.00 N ATOM 77 CA LEU C 6 -17.983 -7.374 -0.849 1.00 0.00 C ATOM 78 C LEU C 6 -17.595 -6.211 0.062 1.00 0.00 C ATOM 79 O LEU C 6 -18.186 -5.132 -0.013 1.00 0.00 O ATOM 80 CB LEU C 6 -16.737 -8.075 -1.399 1.00 0.00 C ATOM 81 CG LEU C 6 -17.002 -9.415 -2.094 1.00 0.00 C ATOM 82 CD1 LEU C 6 -15.699 -10.044 -2.559 1.00 0.00 C ATOM 83 CD2 LEU C 6 -17.744 -10.364 -1.164 1.00 0.00 C ATOM 0 H LEU C 6 -18.318 -6.605 -2.765 1.00 0.00 H new ATOM 0 HA LEU C 6 -18.547 -8.092 -0.253 1.00 0.00 H new ATOM 0 HB2 LEU C 6 -16.245 -7.407 -2.106 1.00 0.00 H new ATOM 0 HB3 LEU C 6 -16.039 -8.240 -0.578 1.00 0.00 H new ATOM 0 HG LEU C 6 -17.627 -9.227 -2.967 1.00 0.00 H new ATOM 0 HD11 LEU C 6 -15.909 -10.994 -3.050 1.00 0.00 H new ATOM 0 HD12 LEU C 6 -15.202 -9.375 -3.261 1.00 0.00 H new ATOM 0 HD13 LEU C 6 -15.050 -10.215 -1.700 1.00 0.00 H new ATOM 0 HD21 LEU C 6 -17.923 -11.310 -1.676 1.00 0.00 H new ATOM 0 HD22 LEU C 6 -17.144 -10.542 -0.272 1.00 0.00 H new ATOM 0 HD23 LEU C 6 -18.698 -9.921 -0.877 1.00 0.00 H new ATOM 95 N GLU C 7 -16.607 -6.429 0.919 1.00 0.00 N ATOM 96 CA GLU C 7 -16.172 -5.399 1.853 1.00 0.00 C ATOM 97 C GLU C 7 -15.081 -4.511 1.255 1.00 0.00 C ATOM 98 O GLU C 7 -14.730 -3.496 1.845 1.00 0.00 O ATOM 99 CB GLU C 7 -15.667 -6.037 3.147 1.00 0.00 C ATOM 100 CG GLU C 7 -16.758 -6.701 3.968 1.00 0.00 C ATOM 101 CD GLU C 7 -17.744 -5.703 4.535 1.00 0.00 C ATOM 102 OE1 GLU C 7 -18.821 -5.518 3.938 1.00 0.00 O ATOM 103 OE2 GLU C 7 -17.441 -5.092 5.579 1.00 0.00 O1- ATOM 0 H GLU C 7 -16.093 -7.307 0.987 1.00 0.00 H new ATOM 0 HA GLU C 7 -17.036 -4.770 2.068 1.00 0.00 H new ATOM 0 HB2 GLU C 7 -14.906 -6.779 2.903 1.00 0.00 H new ATOM 0 HB3 GLU C 7 -15.183 -5.272 3.754 1.00 0.00 H new ATOM 0 HG2 GLU C 7 -17.291 -7.420 3.345 1.00 0.00 H new ATOM 0 HG3 GLU C 7 -16.303 -7.262 4.785 1.00 0.00 H new ATOM 110 N GLU C 8 -14.532 -4.917 0.105 1.00 0.00 N ATOM 111 CA GLU C 8 -13.496 -4.150 -0.610 1.00 0.00 C ATOM 112 C GLU C 8 -12.132 -4.290 0.071 1.00 0.00 C ATOM 113 O GLU C 8 -11.120 -4.533 -0.580 1.00 0.00 O ATOM 114 CB GLU C 8 -13.899 -2.673 -0.727 1.00 0.00 C ATOM 115 CG GLU C 8 -15.184 -2.456 -1.516 1.00 0.00 C ATOM 116 CD GLU C 8 -15.767 -1.072 -1.334 1.00 0.00 C ATOM 117 OE1 GLU C 8 -16.422 -0.831 -0.295 1.00 0.00 O ATOM 118 OE2 GLU C 8 -15.600 -0.224 -2.232 1.00 0.00 O1- ATOM 0 H GLU C 8 -14.791 -5.787 -0.360 1.00 0.00 H new ATOM 0 HA GLU C 8 -13.408 -4.562 -1.615 1.00 0.00 H new ATOM 0 HB2 GLU C 8 -14.021 -2.257 0.273 1.00 0.00 H new ATOM 0 HB3 GLU C 8 -13.090 -2.120 -1.205 1.00 0.00 H new ATOM 0 HG2 GLU C 8 -14.986 -2.624 -2.575 1.00 0.00 H new ATOM 0 HG3 GLU C 8 -15.921 -3.197 -1.209 1.00 0.00 H new ATOM 125 N GLN C 9 -12.137 -4.170 1.386 1.00 0.00 N ATOM 126 CA GLN C 9 -10.932 -4.268 2.216 1.00 0.00 C ATOM 127 C GLN C 9 -10.471 -5.720 2.387 1.00 0.00 C ATOM 128 O GLN C 9 -9.692 -6.028 3.288 1.00 0.00 O ATOM 129 CB GLN C 9 -11.237 -3.688 3.596 1.00 0.00 C ATOM 130 CG GLN C 9 -12.019 -2.387 3.552 1.00 0.00 C ATOM 131 CD GLN C 9 -13.072 -2.318 4.636 1.00 0.00 C ATOM 132 OE1 GLN C 9 -12.815 -1.843 5.742 1.00 0.00 O ATOM 133 NE2 GLN C 9 -14.267 -2.798 4.326 1.00 0.00 N ATOM 0 H GLN C 9 -12.987 -3.999 1.923 1.00 0.00 H new ATOM 0 HA GLN C 9 -10.135 -3.714 1.720 1.00 0.00 H new ATOM 0 HB2 GLN C 9 -11.801 -4.421 4.172 1.00 0.00 H new ATOM 0 HB3 GLN C 9 -10.299 -3.520 4.125 1.00 0.00 H new ATOM 0 HG2 GLN C 9 -11.332 -1.548 3.661 1.00 0.00 H new ATOM 0 HG3 GLN C 9 -12.496 -2.284 2.577 1.00 0.00 H new ATOM 0 HE21 GLN C 9 -14.437 -3.183 3.397 1.00 0.00 H new ATOM 0 HE22 GLN C 9 -15.018 -2.783 5.017 1.00 0.00 H new ATOM 142 N MET C 10 -10.954 -6.603 1.529 1.00 0.00 N ATOM 143 CA MET C 10 -10.794 -8.040 1.731 1.00 0.00 C ATOM 144 C MET C 10 -9.486 -8.577 1.143 1.00 0.00 C ATOM 145 O MET C 10 -8.455 -7.904 1.183 1.00 0.00 O ATOM 146 CB MET C 10 -11.997 -8.775 1.139 1.00 0.00 C ATOM 147 CG MET C 10 -13.304 -8.419 1.824 1.00 0.00 C ATOM 148 SD MET C 10 -14.741 -9.162 1.033 1.00 0.00 S ATOM 149 CE MET C 10 -14.356 -10.905 1.196 1.00 0.00 C ATOM 0 H MET C 10 -11.463 -6.352 0.681 1.00 0.00 H new ATOM 0 HA MET C 10 -10.744 -8.221 2.805 1.00 0.00 H new ATOM 0 HB2 MET C 10 -12.073 -8.540 0.077 1.00 0.00 H new ATOM 0 HB3 MET C 10 -11.833 -9.850 1.216 1.00 0.00 H new ATOM 0 HG2 MET C 10 -13.262 -8.742 2.864 1.00 0.00 H new ATOM 0 HG3 MET C 10 -13.420 -7.335 1.831 1.00 0.00 H new ATOM 0 HE1 MET C 10 -15.272 -11.463 1.392 1.00 0.00 H new ATOM 0 HE2 MET C 10 -13.902 -11.265 0.273 1.00 0.00 H new ATOM 0 HE3 MET C 10 -13.660 -11.048 2.022 1.00 0.00 H new ATOM 159 N ASN C 11 -9.538 -9.797 0.605 1.00 0.00 N ATOM 160 CA ASN C 11 -8.344 -10.507 0.137 1.00 0.00 C ATOM 161 C ASN C 11 -7.612 -9.733 -0.950 1.00 0.00 C ATOM 162 O ASN C 11 -6.415 -9.930 -1.155 1.00 0.00 O ATOM 163 CB ASN C 11 -8.710 -11.902 -0.376 1.00 0.00 C ATOM 164 CG ASN C 11 -9.364 -12.760 0.689 1.00 0.00 C ATOM 165 OD1 ASN C 11 -9.114 -12.591 1.881 1.00 0.00 O ATOM 166 ND2 ASN C 11 -10.201 -13.692 0.266 1.00 0.00 N ATOM 0 H ASN C 11 -10.405 -10.320 0.481 1.00 0.00 H new ATOM 0 HA ASN C 11 -7.674 -10.602 0.991 1.00 0.00 H new ATOM 0 HB2 ASN C 11 -9.385 -11.807 -1.226 1.00 0.00 H new ATOM 0 HB3 ASN C 11 -7.810 -12.400 -0.737 1.00 0.00 H new ATOM 0 HD21 ASN C 11 -10.666 -14.303 0.938 1.00 0.00 H new ATOM 0 HD22 ASN C 11 -10.382 -13.800 -0.732 1.00 0.00 H new ATOM 173 N SER C 12 -8.327 -8.843 -1.630 1.00 0.00 N ATOM 174 CA SER C 12 -7.716 -7.958 -2.615 1.00 0.00 C ATOM 175 C SER C 12 -6.560 -7.183 -1.986 1.00 0.00 C ATOM 176 O SER C 12 -5.556 -6.901 -2.639 1.00 0.00 O ATOM 177 CB SER C 12 -8.764 -6.987 -3.159 1.00 0.00 C ATOM 178 OG SER C 12 -9.879 -7.688 -3.683 1.00 0.00 O ATOM 0 H SER C 12 -9.333 -8.715 -1.517 1.00 0.00 H new ATOM 0 HA SER C 12 -7.326 -8.559 -3.436 1.00 0.00 H new ATOM 0 HB2 SER C 12 -9.092 -6.316 -2.364 1.00 0.00 H new ATOM 0 HB3 SER C 12 -8.321 -6.366 -3.938 1.00 0.00 H new ATOM 0 HG SER C 12 -10.084 -7.353 -4.581 1.00 0.00 H new ATOM 184 N ILE C 13 -6.705 -6.872 -0.705 1.00 0.00 N ATOM 185 CA ILE C 13 -5.689 -6.146 0.037 1.00 0.00 C ATOM 186 C ILE C 13 -4.654 -7.112 0.607 1.00 0.00 C ATOM 187 O ILE C 13 -3.454 -6.850 0.570 1.00 0.00 O ATOM 188 CB ILE C 13 -6.317 -5.354 1.199 1.00 0.00 C ATOM 189 CG1 ILE C 13 -7.450 -4.457 0.693 1.00 0.00 C ATOM 190 CG2 ILE C 13 -5.266 -4.530 1.925 1.00 0.00 C ATOM 191 CD1 ILE C 13 -7.002 -3.416 -0.308 1.00 0.00 C ATOM 0 H ILE C 13 -7.528 -7.116 -0.154 1.00 0.00 H new ATOM 0 HA ILE C 13 -5.209 -5.453 -0.654 1.00 0.00 H new ATOM 0 HB ILE C 13 -6.736 -6.069 1.907 1.00 0.00 H new ATOM 0 HG12 ILE C 13 -8.218 -5.081 0.236 1.00 0.00 H new ATOM 0 HG13 ILE C 13 -7.911 -3.955 1.544 1.00 0.00 H new ATOM 0 HG21 ILE C 13 -5.735 -3.980 2.741 1.00 0.00 H new ATOM 0 HG22 ILE C 13 -4.499 -5.192 2.327 1.00 0.00 H new ATOM 0 HG23 ILE C 13 -4.810 -3.827 1.228 1.00 0.00 H new ATOM 0 HD11 ILE C 13 -7.859 -2.819 -0.620 1.00 0.00 H new ATOM 0 HD12 ILE C 13 -6.256 -2.767 0.151 1.00 0.00 H new ATOM 0 HD13 ILE C 13 -6.568 -3.910 -1.177 1.00 0.00 H new ATOM 203 N ASN C 14 -5.132 -8.238 1.125 1.00 0.00 N ATOM 204 CA ASN C 14 -4.258 -9.225 1.758 1.00 0.00 C ATOM 205 C ASN C 14 -3.280 -9.803 0.753 1.00 0.00 C ATOM 206 O ASN C 14 -2.131 -10.080 1.089 1.00 0.00 O ATOM 207 CB ASN C 14 -5.055 -10.371 2.359 1.00 0.00 C ATOM 208 CG ASN C 14 -6.144 -9.918 3.312 1.00 0.00 C ATOM 209 OD1 ASN C 14 -6.052 -8.856 3.932 1.00 0.00 O ATOM 210 ND2 ASN C 14 -7.181 -10.731 3.448 1.00 0.00 N ATOM 0 H ASN C 14 -6.120 -8.492 1.120 1.00 0.00 H new ATOM 0 HA ASN C 14 -3.718 -8.705 2.549 1.00 0.00 H new ATOM 0 HB2 ASN C 14 -5.506 -10.950 1.554 1.00 0.00 H new ATOM 0 HB3 ASN C 14 -4.374 -11.038 2.889 1.00 0.00 H new ATOM 0 HD21 ASN C 14 -7.940 -10.487 4.084 1.00 0.00 H new ATOM 0 HD22 ASN C 14 -7.220 -11.601 2.917 1.00 0.00 H new ATOM 217 N SER C 15 -3.747 -10.002 -0.476 1.00 0.00 N ATOM 218 CA SER C 15 -2.884 -10.461 -1.556 1.00 0.00 C ATOM 219 C SER C 15 -1.691 -9.531 -1.692 1.00 0.00 C ATOM 220 O SER C 15 -0.569 -9.972 -1.938 1.00 0.00 O ATOM 221 CB SER C 15 -3.657 -10.526 -2.876 1.00 0.00 C ATOM 222 OG SER C 15 -2.825 -10.964 -3.940 1.00 0.00 O ATOM 0 H SER C 15 -4.719 -9.852 -0.747 1.00 0.00 H new ATOM 0 HA SER C 15 -2.531 -11.464 -1.318 1.00 0.00 H new ATOM 0 HB2 SER C 15 -4.504 -11.204 -2.771 1.00 0.00 H new ATOM 0 HB3 SER C 15 -4.064 -9.542 -3.111 1.00 0.00 H new ATOM 0 HG SER C 15 -3.345 -10.997 -4.770 1.00 0.00 H new ATOM 228 N VAL C 16 -1.936 -8.244 -1.497 1.00 0.00 N ATOM 229 CA VAL C 16 -0.873 -7.262 -1.537 1.00 0.00 C ATOM 230 C VAL C 16 0.001 -7.411 -0.304 1.00 0.00 C ATOM 231 O VAL C 16 1.221 -7.284 -0.376 1.00 0.00 O ATOM 232 CB VAL C 16 -1.409 -5.819 -1.585 1.00 0.00 C ATOM 233 CG1 VAL C 16 -0.308 -4.859 -1.992 1.00 0.00 C ATOM 234 CG2 VAL C 16 -2.595 -5.697 -2.519 1.00 0.00 C ATOM 0 H VAL C 16 -2.862 -7.860 -1.310 1.00 0.00 H new ATOM 0 HA VAL C 16 -0.302 -7.443 -2.448 1.00 0.00 H new ATOM 0 HB VAL C 16 -1.750 -5.557 -0.584 1.00 0.00 H new ATOM 0 HG11 VAL C 16 -0.703 -3.844 -2.021 1.00 0.00 H new ATOM 0 HG12 VAL C 16 0.506 -4.911 -1.269 1.00 0.00 H new ATOM 0 HG13 VAL C 16 0.066 -5.131 -2.979 1.00 0.00 H new ATOM 0 HG21 VAL C 16 -2.947 -4.665 -2.528 1.00 0.00 H new ATOM 0 HG22 VAL C 16 -2.296 -5.987 -3.526 1.00 0.00 H new ATOM 0 HG23 VAL C 16 -3.397 -6.351 -2.176 1.00 0.00 H new ATOM 244 N ASN C 17 -0.629 -7.731 0.823 1.00 0.00 N ATOM 245 CA ASN C 17 0.089 -7.832 2.086 1.00 0.00 C ATOM 246 C ASN C 17 1.068 -8.998 2.049 1.00 0.00 C ATOM 247 O ASN C 17 2.180 -8.896 2.558 1.00 0.00 O ATOM 248 CB ASN C 17 -0.882 -7.983 3.259 1.00 0.00 C ATOM 249 CG ASN C 17 -1.663 -6.712 3.534 1.00 0.00 C ATOM 250 OD1 ASN C 17 -1.173 -5.609 3.309 1.00 0.00 O ATOM 251 ND2 ASN C 17 -2.884 -6.857 4.029 1.00 0.00 N ATOM 0 H ASN C 17 -1.629 -7.923 0.886 1.00 0.00 H new ATOM 0 HA ASN C 17 0.651 -6.910 2.231 1.00 0.00 H new ATOM 0 HB2 ASN C 17 -1.578 -8.795 3.048 1.00 0.00 H new ATOM 0 HB3 ASN C 17 -0.326 -8.264 4.153 1.00 0.00 H new ATOM 0 HD21 ASN C 17 -3.451 -6.035 4.236 1.00 0.00 H new ATOM 0 HD22 ASN C 17 -3.256 -7.791 4.202 1.00 0.00 H new ATOM 258 N ASP C 18 0.657 -10.096 1.422 1.00 0.00 N ATOM 259 CA ASP C 18 1.523 -11.267 1.269 1.00 0.00 C ATOM 260 C ASP C 18 2.708 -10.952 0.372 1.00 0.00 C ATOM 261 O ASP C 18 3.790 -11.516 0.531 1.00 0.00 O ATOM 262 CB ASP C 18 0.759 -12.449 0.666 1.00 0.00 C ATOM 263 CG ASP C 18 -0.225 -13.076 1.623 1.00 0.00 C ATOM 264 OD1 ASP C 18 0.202 -13.861 2.493 1.00 0.00 O ATOM 265 OD2 ASP C 18 -1.435 -12.805 1.499 1.00 0.00 O1- ATOM 0 H ASP C 18 -0.270 -10.202 1.010 1.00 0.00 H new ATOM 0 HA ASP C 18 1.875 -11.533 2.266 1.00 0.00 H new ATOM 0 HB2 ASP C 18 0.226 -12.112 -0.223 1.00 0.00 H new ATOM 0 HB3 ASP C 18 1.473 -13.206 0.342 1.00 0.00 H new ATOM 270 N LYS C 19 2.499 -10.050 -0.572 1.00 0.00 N ATOM 271 CA LYS C 19 3.512 -9.732 -1.567 1.00 0.00 C ATOM 272 C LYS C 19 4.469 -8.679 -1.041 1.00 0.00 C ATOM 273 O LYS C 19 5.670 -8.718 -1.311 1.00 0.00 O ATOM 274 CB LYS C 19 2.845 -9.246 -2.853 1.00 0.00 C ATOM 275 CG LYS C 19 2.044 -10.323 -3.567 1.00 0.00 C ATOM 276 CD LYS C 19 1.422 -9.812 -4.860 1.00 0.00 C ATOM 277 CE LYS C 19 2.427 -9.737 -6.006 1.00 0.00 C ATOM 278 NZ LYS C 19 3.501 -8.729 -5.779 1.00 0.00 N1+ ATOM 0 H LYS C 19 1.632 -9.522 -0.671 1.00 0.00 H new ATOM 0 HA LYS C 19 4.083 -10.635 -1.782 1.00 0.00 H new ATOM 0 HB2 LYS C 19 2.186 -8.411 -2.617 1.00 0.00 H new ATOM 0 HB3 LYS C 19 3.611 -8.866 -3.529 1.00 0.00 H new ATOM 0 HG2 LYS C 19 2.693 -11.171 -3.788 1.00 0.00 H new ATOM 0 HG3 LYS C 19 1.258 -10.687 -2.906 1.00 0.00 H new ATOM 0 HD2 LYS C 19 0.599 -10.467 -5.146 1.00 0.00 H new ATOM 0 HD3 LYS C 19 0.998 -8.823 -4.688 1.00 0.00 H new ATOM 0 HE2 LYS C 19 2.882 -10.718 -6.147 1.00 0.00 H new ATOM 0 HE3 LYS C 19 1.899 -9.495 -6.928 1.00 0.00 H new ATOM 0 HZ1 LYS C 19 3.799 -8.328 -6.691 1.00 0.00 H new ATOM 0 HZ2 LYS C 19 3.140 -7.969 -5.168 1.00 0.00 H new ATOM 0 HZ3 LYS C 19 4.314 -9.186 -5.319 1.00 0.00 H new ATOM 292 N LEU C 20 3.925 -7.741 -0.293 1.00 0.00 N ATOM 293 CA LEU C 20 4.711 -6.686 0.316 1.00 0.00 C ATOM 294 C LEU C 20 5.467 -7.213 1.528 1.00 0.00 C ATOM 295 O LEU C 20 6.587 -6.786 1.797 1.00 0.00 O ATOM 296 CB LEU C 20 3.791 -5.529 0.697 1.00 0.00 C ATOM 297 CG LEU C 20 3.113 -4.838 -0.495 1.00 0.00 C ATOM 298 CD1 LEU C 20 2.265 -3.659 -0.046 1.00 0.00 C ATOM 299 CD2 LEU C 20 4.162 -4.386 -1.498 1.00 0.00 C ATOM 0 H LEU C 20 2.927 -7.688 -0.090 1.00 0.00 H new ATOM 0 HA LEU C 20 5.451 -6.325 -0.398 1.00 0.00 H new ATOM 0 HB2 LEU C 20 3.020 -5.901 1.372 1.00 0.00 H new ATOM 0 HB3 LEU C 20 4.369 -4.788 1.250 1.00 0.00 H new ATOM 0 HG LEU C 20 2.449 -5.559 -0.972 1.00 0.00 H new ATOM 0 HD11 LEU C 20 1.800 -3.193 -0.915 1.00 0.00 H new ATOM 0 HD12 LEU C 20 1.490 -4.007 0.637 1.00 0.00 H new ATOM 0 HD13 LEU C 20 2.896 -2.930 0.462 1.00 0.00 H new ATOM 0 HD21 LEU C 20 3.673 -3.897 -2.340 1.00 0.00 H new ATOM 0 HD22 LEU C 20 4.846 -3.685 -1.019 1.00 0.00 H new ATOM 0 HD23 LEU C 20 4.721 -5.251 -1.855 1.00 0.00 H new ATOM 311 N ASN C 21 4.865 -8.161 2.244 1.00 0.00 N ATOM 312 CA ASN C 21 5.558 -8.852 3.331 1.00 0.00 C ATOM 313 C ASN C 21 6.434 -9.965 2.760 1.00 0.00 C ATOM 314 O ASN C 21 6.362 -11.127 3.169 1.00 0.00 O ATOM 315 CB ASN C 21 4.567 -9.412 4.361 1.00 0.00 C ATOM 316 CG ASN C 21 4.074 -8.355 5.337 1.00 0.00 C ATOM 317 OD1 ASN C 21 4.679 -8.138 6.386 1.00 0.00 O ATOM 318 ND2 ASN C 21 2.976 -7.689 5.006 1.00 0.00 N ATOM 0 H ASN C 21 3.904 -8.467 2.093 1.00 0.00 H new ATOM 0 HA ASN C 21 6.191 -8.131 3.849 1.00 0.00 H new ATOM 0 HB2 ASN C 21 3.714 -9.845 3.840 1.00 0.00 H new ATOM 0 HB3 ASN C 21 5.044 -10.219 4.917 1.00 0.00 H new ATOM 0 HD21 ASN C 21 2.608 -6.971 5.630 1.00 0.00 H new ATOM 0 HD22 ASN C 21 2.500 -7.895 4.128 1.00 0.00 H new ATOM 325 N LYS C 22 7.258 -9.566 1.803 1.00 0.00 N ATOM 326 CA LYS C 22 8.149 -10.454 1.060 1.00 0.00 C ATOM 327 C LYS C 22 9.238 -11.054 1.951 1.00 0.00 C ATOM 328 O LYS C 22 9.571 -12.234 1.841 1.00 0.00 O ATOM 329 CB LYS C 22 8.795 -9.639 -0.067 1.00 0.00 C ATOM 330 CG LYS C 22 9.168 -8.231 0.386 1.00 0.00 C ATOM 331 CD LYS C 22 9.955 -7.451 -0.651 1.00 0.00 C ATOM 332 CE LYS C 22 10.201 -6.028 -0.163 1.00 0.00 C ATOM 333 NZ LYS C 22 8.951 -5.215 -0.155 1.00 0.00 N1+ ATOM 0 H LYS C 22 7.330 -8.591 1.512 1.00 0.00 H new ATOM 0 HA LYS C 22 7.566 -11.286 0.664 1.00 0.00 H new ATOM 0 HB2 LYS C 22 9.688 -10.154 -0.421 1.00 0.00 H new ATOM 0 HB3 LYS C 22 8.107 -9.578 -0.910 1.00 0.00 H new ATOM 0 HG2 LYS C 22 8.258 -7.683 0.628 1.00 0.00 H new ATOM 0 HG3 LYS C 22 9.754 -8.296 1.303 1.00 0.00 H new ATOM 0 HD2 LYS C 22 10.906 -7.947 -0.845 1.00 0.00 H new ATOM 0 HD3 LYS C 22 9.408 -7.431 -1.594 1.00 0.00 H new ATOM 0 HE2 LYS C 22 10.621 -6.057 0.843 1.00 0.00 H new ATOM 0 HE3 LYS C 22 10.941 -5.548 -0.803 1.00 0.00 H new ATOM 0 HZ1 LYS C 22 8.993 -4.506 -0.914 1.00 0.00 H new ATOM 0 HZ2 LYS C 22 8.131 -5.837 -0.308 1.00 0.00 H new ATOM 0 HZ3 LYS C 22 8.855 -4.735 0.762 1.00 0.00 H new ATOM 347 N GLY C 23 9.776 -10.232 2.834 1.00 0.00 N ATOM 348 CA GLY C 23 10.908 -10.626 3.652 1.00 0.00 C ATOM 349 C GLY C 23 11.733 -9.414 3.997 1.00 0.00 C ATOM 350 O GLY C 23 11.987 -9.131 5.169 1.00 0.00 O ATOM 0 H GLY C 23 9.445 -9.282 3.003 1.00 0.00 H new ATOM 0 HA2 GLY C 23 10.559 -11.111 4.563 1.00 0.00 H new ATOM 0 HA3 GLY C 23 11.519 -11.353 3.118 1.00 0.00 H new ATOM 354 N LYS C 24 12.131 -8.688 2.958 1.00 0.00 N ATOM 355 CA LYS C 24 12.647 -7.336 3.103 1.00 0.00 C ATOM 356 C LYS C 24 11.494 -6.416 3.489 1.00 0.00 C ATOM 357 O LYS C 24 10.478 -6.896 3.984 1.00 0.00 O ATOM 358 CB LYS C 24 13.281 -6.858 1.793 1.00 0.00 C ATOM 359 CG LYS C 24 14.526 -7.621 1.356 1.00 0.00 C ATOM 360 CD LYS C 24 15.754 -7.296 2.202 1.00 0.00 C ATOM 361 CE LYS C 24 15.876 -8.185 3.431 1.00 0.00 C ATOM 362 NZ LYS C 24 17.158 -7.963 4.148 1.00 0.00 N1+ ATOM 0 H LYS C 24 12.104 -9.021 1.994 1.00 0.00 H new ATOM 0 HA LYS C 24 13.415 -7.320 3.876 1.00 0.00 H new ATOM 0 HB2 LYS C 24 12.535 -6.928 1.001 1.00 0.00 H new ATOM 0 HB3 LYS C 24 13.538 -5.804 1.896 1.00 0.00 H new ATOM 0 HG2 LYS C 24 14.327 -8.691 1.411 1.00 0.00 H new ATOM 0 HG3 LYS C 24 14.739 -7.390 0.312 1.00 0.00 H new ATOM 0 HD2 LYS C 24 16.650 -7.404 1.591 1.00 0.00 H new ATOM 0 HD3 LYS C 24 15.707 -6.253 2.517 1.00 0.00 H new ATOM 0 HE2 LYS C 24 15.043 -7.988 4.106 1.00 0.00 H new ATOM 0 HE3 LYS C 24 15.803 -9.231 3.132 1.00 0.00 H new ATOM 0 HZ1 LYS C 24 17.204 -8.587 4.979 1.00 0.00 H new ATOM 0 HZ2 LYS C 24 17.953 -8.175 3.512 1.00 0.00 H new ATOM 0 HZ3 LYS C 24 17.216 -6.971 4.456 1.00 0.00 H new ATOM 376 N GLY C 25 11.648 -5.114 3.257 1.00 0.00 N ATOM 377 CA GLY C 25 10.629 -4.143 3.634 1.00 0.00 C ATOM 378 C GLY C 25 9.218 -4.595 3.380 1.00 0.00 C ATOM 379 O GLY C 25 8.947 -5.291 2.411 1.00 0.00 O ATOM 0 H GLY C 25 12.470 -4.709 2.809 1.00 0.00 H new ATOM 0 HA2 GLY C 25 10.739 -3.912 4.694 1.00 0.00 H new ATOM 0 HA3 GLY C 25 10.806 -3.217 3.086 1.00 0.00 H new ATOM 383 N LYS C 26 8.306 -4.196 4.235 1.00 0.00 N ATOM 384 CA LYS C 26 6.986 -4.780 4.186 1.00 0.00 C ATOM 385 C LYS C 26 5.892 -3.811 4.613 1.00 0.00 C ATOM 386 O LYS C 26 5.996 -3.153 5.645 1.00 0.00 O ATOM 387 CB LYS C 26 7.026 -6.029 5.050 1.00 0.00 C ATOM 388 CG LYS C 26 7.485 -5.767 6.475 1.00 0.00 C ATOM 389 CD LYS C 26 7.996 -7.034 7.147 1.00 0.00 C ATOM 390 CE LYS C 26 9.168 -7.625 6.380 1.00 0.00 C ATOM 391 NZ LYS C 26 9.938 -8.608 7.186 1.00 0.00 N1+ ATOM 0 H LYS C 26 8.447 -3.488 4.956 1.00 0.00 H new ATOM 0 HA LYS C 26 6.728 -5.035 3.158 1.00 0.00 H new ATOM 0 HB2 LYS C 26 6.032 -6.477 5.073 1.00 0.00 H new ATOM 0 HB3 LYS C 26 7.693 -6.758 4.590 1.00 0.00 H new ATOM 0 HG2 LYS C 26 8.274 -5.015 6.470 1.00 0.00 H new ATOM 0 HG3 LYS C 26 6.657 -5.357 7.054 1.00 0.00 H new ATOM 0 HD2 LYS C 26 8.302 -6.809 8.169 1.00 0.00 H new ATOM 0 HD3 LYS C 26 7.191 -7.767 7.209 1.00 0.00 H new ATOM 0 HE2 LYS C 26 8.799 -8.110 5.476 1.00 0.00 H new ATOM 0 HE3 LYS C 26 9.832 -6.821 6.062 1.00 0.00 H new ATOM 0 HZ1 LYS C 26 10.904 -8.252 7.337 1.00 0.00 H new ATOM 0 HZ2 LYS C 26 9.471 -8.745 8.105 1.00 0.00 H new ATOM 0 HZ3 LYS C 26 9.979 -9.516 6.680 1.00 0.00 H new ATOM 405 N LEU C 27 4.850 -3.729 3.792 1.00 0.00 N ATOM 406 CA LEU C 27 3.720 -2.848 4.054 1.00 0.00 C ATOM 407 C LEU C 27 2.529 -3.668 4.531 1.00 0.00 C ATOM 408 O LEU C 27 2.158 -4.654 3.895 1.00 0.00 O ATOM 409 CB LEU C 27 3.303 -2.059 2.794 1.00 0.00 C ATOM 410 CG LEU C 27 4.396 -1.226 2.119 1.00 0.00 C ATOM 411 CD1 LEU C 27 5.324 -2.096 1.279 1.00 0.00 C ATOM 412 CD2 LEU C 27 3.779 -0.131 1.264 1.00 0.00 C ATOM 0 H LEU C 27 4.766 -4.269 2.931 1.00 0.00 H new ATOM 0 HA LEU C 27 4.030 -2.138 4.821 1.00 0.00 H new ATOM 0 HB2 LEU C 27 2.912 -2.766 2.062 1.00 0.00 H new ATOM 0 HB3 LEU C 27 2.484 -1.393 3.064 1.00 0.00 H new ATOM 0 HG LEU C 27 4.993 -0.765 2.905 1.00 0.00 H new ATOM 0 HD11 LEU C 27 6.087 -1.471 0.815 1.00 0.00 H new ATOM 0 HD12 LEU C 27 5.802 -2.839 1.917 1.00 0.00 H new ATOM 0 HD13 LEU C 27 4.747 -2.600 0.504 1.00 0.00 H new ATOM 0 HD21 LEU C 27 4.570 0.451 0.792 1.00 0.00 H new ATOM 0 HD22 LEU C 27 3.151 -0.580 0.495 1.00 0.00 H new ATOM 0 HD23 LEU C 27 3.173 0.522 1.891 1.00 0.00 H new ATOM 424 N SER C 28 1.948 -3.276 5.650 1.00 0.00 N ATOM 425 CA SER C 28 0.736 -3.911 6.133 1.00 0.00 C ATOM 426 C SER C 28 -0.452 -3.000 5.844 1.00 0.00 C ATOM 427 O SER C 28 -0.712 -2.057 6.587 1.00 0.00 O ATOM 428 CB SER C 28 0.838 -4.170 7.637 1.00 0.00 C ATOM 429 OG SER C 28 -0.134 -5.112 8.067 1.00 0.00 O ATOM 0 H SER C 28 2.296 -2.521 6.241 1.00 0.00 H new ATOM 0 HA SER C 28 0.601 -4.866 5.625 1.00 0.00 H new ATOM 0 HB2 SER C 28 1.835 -4.538 7.878 1.00 0.00 H new ATOM 0 HB3 SER C 28 0.704 -3.234 8.179 1.00 0.00 H new ATOM 0 HG SER C 28 -0.043 -5.259 9.032 1.00 0.00 H new ATOM 435 N LEU C 29 -1.171 -3.284 4.770 1.00 0.00 N ATOM 436 CA LEU C 29 -2.248 -2.412 4.327 1.00 0.00 C ATOM 437 C LEU C 29 -3.503 -2.659 5.127 1.00 0.00 C ATOM 438 O LEU C 29 -4.025 -3.774 5.164 1.00 0.00 O ATOM 439 CB LEU C 29 -2.535 -2.622 2.841 1.00 0.00 C ATOM 440 CG LEU C 29 -1.315 -2.591 1.920 1.00 0.00 C ATOM 441 CD1 LEU C 29 -1.740 -2.833 0.484 1.00 0.00 C ATOM 442 CD2 LEU C 29 -0.572 -1.270 2.039 1.00 0.00 C ATOM 0 H LEU C 29 -1.029 -4.110 4.189 1.00 0.00 H new ATOM 0 HA LEU C 29 -1.928 -1.382 4.485 1.00 0.00 H new ATOM 0 HB2 LEU C 29 -3.036 -3.582 2.719 1.00 0.00 H new ATOM 0 HB3 LEU C 29 -3.235 -1.854 2.513 1.00 0.00 H new ATOM 0 HG LEU C 29 -0.635 -3.386 2.227 1.00 0.00 H new ATOM 0 HD11 LEU C 29 -0.864 -2.809 -0.164 1.00 0.00 H new ATOM 0 HD12 LEU C 29 -2.222 -3.808 0.406 1.00 0.00 H new ATOM 0 HD13 LEU C 29 -2.440 -2.057 0.176 1.00 0.00 H new ATOM 0 HD21 LEU C 29 0.291 -1.277 1.373 1.00 0.00 H new ATOM 0 HD22 LEU C 29 -1.237 -0.452 1.763 1.00 0.00 H new ATOM 0 HD23 LEU C 29 -0.236 -1.133 3.067 1.00 0.00 H new ATOM 454 N SER C 30 -3.978 -1.614 5.779 1.00 0.00 N ATOM 455 CA SER C 30 -5.201 -1.702 6.530 1.00 0.00 C ATOM 456 C SER C 30 -6.132 -0.550 6.175 1.00 0.00 C ATOM 457 O SER C 30 -5.708 0.606 6.093 1.00 0.00 O ATOM 458 CB SER C 30 -4.903 -1.727 8.031 1.00 0.00 C ATOM 459 OG SER C 30 -6.093 -1.820 8.796 1.00 0.00 O ATOM 0 H SER C 30 -3.530 -0.698 5.799 1.00 0.00 H new ATOM 0 HA SER C 30 -5.705 -2.632 6.268 1.00 0.00 H new ATOM 0 HB2 SER C 30 -4.255 -2.573 8.260 1.00 0.00 H new ATOM 0 HB3 SER C 30 -4.360 -0.824 8.310 1.00 0.00 H new ATOM 0 HG SER C 30 -5.923 -2.352 9.601 1.00 0.00 H new ATOM 465 N MET C 31 -7.402 -0.875 5.969 1.00 0.00 N ATOM 466 CA MET C 31 -8.392 0.099 5.530 1.00 0.00 C ATOM 467 C MET C 31 -9.507 0.243 6.557 1.00 0.00 C ATOM 468 O MET C 31 -10.012 -0.754 7.076 1.00 0.00 O ATOM 469 CB MET C 31 -9.003 -0.341 4.202 1.00 0.00 C ATOM 470 CG MET C 31 -8.014 -0.404 3.052 1.00 0.00 C ATOM 471 SD MET C 31 -8.713 -1.173 1.580 1.00 0.00 S ATOM 472 CE MET C 31 -10.182 -0.180 1.345 1.00 0.00 C ATOM 0 H MET C 31 -7.773 -1.816 6.101 1.00 0.00 H new ATOM 0 HA MET C 31 -7.888 1.058 5.412 1.00 0.00 H new ATOM 0 HB2 MET C 31 -9.456 -1.324 4.331 1.00 0.00 H new ATOM 0 HB3 MET C 31 -9.806 0.348 3.939 1.00 0.00 H new ATOM 0 HG2 MET C 31 -7.682 0.605 2.808 1.00 0.00 H new ATOM 0 HG3 MET C 31 -7.132 -0.963 3.366 1.00 0.00 H new ATOM 0 HE1 MET C 31 -10.257 0.117 0.299 1.00 0.00 H new ATOM 0 HE2 MET C 31 -11.062 -0.761 1.621 1.00 0.00 H new ATOM 0 HE3 MET C 31 -10.124 0.710 1.972 1.00 0.00 H new ATOM 482 N ASN C 32 -9.879 1.479 6.861 1.00 0.00 N ATOM 483 CA ASN C 32 -11.018 1.733 7.735 1.00 0.00 C ATOM 484 C ASN C 32 -11.705 3.040 7.357 1.00 0.00 C ATOM 485 O ASN C 32 -11.341 4.107 7.856 1.00 0.00 O ATOM 486 CB ASN C 32 -10.590 1.779 9.205 1.00 0.00 C ATOM 487 CG ASN C 32 -11.775 1.913 10.153 1.00 0.00 C ATOM 488 OD1 ASN C 32 -12.899 1.296 9.807 1.00 0.00 O flip ATOM 489 ND2 ASN C 32 -11.677 2.556 11.197 1.00 0.00 N flip ATOM 0 H ASN C 32 -9.412 2.318 6.518 1.00 0.00 H new ATOM 0 HA ASN C 32 -11.721 0.910 7.606 1.00 0.00 H new ATOM 0 HB2 ASN C 32 -10.036 0.872 9.447 1.00 0.00 H new ATOM 0 HB3 ASN C 32 -9.911 2.618 9.356 1.00 0.00 H new ATOM 0 HD21 ASN C 32 -10.798 3.017 11.431 1.00 0.00 H new ATOM 0 HD22 ASN C 32 -12.475 2.628 11.829 1.00 0.00 H new ATOM 496 N GLY C 33 -12.692 2.945 6.474 1.00 0.00 N ATOM 497 CA GLY C 33 -13.470 4.106 6.075 1.00 0.00 C ATOM 498 C GLY C 33 -12.617 5.240 5.522 1.00 0.00 C ATOM 499 O GLY C 33 -12.092 5.137 4.414 1.00 0.00 O ATOM 0 H GLY C 33 -12.971 2.074 6.022 1.00 0.00 H new ATOM 0 HA2 GLY C 33 -14.197 3.806 5.320 1.00 0.00 H new ATOM 0 HA3 GLY C 33 -14.034 4.470 6.934 1.00 0.00 H new ATOM 503 N ASN C 34 -12.451 6.303 6.305 1.00 0.00 N ATOM 504 CA ASN C 34 -11.721 7.482 5.865 1.00 0.00 C ATOM 505 C ASN C 34 -10.277 7.409 6.349 1.00 0.00 C ATOM 506 O ASN C 34 -9.667 8.416 6.706 1.00 0.00 O ATOM 507 CB ASN C 34 -12.401 8.759 6.378 1.00 0.00 C ATOM 508 CG ASN C 34 -12.039 10.008 5.578 1.00 0.00 C ATOM 509 OD1 ASN C 34 -12.861 10.910 5.425 1.00 0.00 O ATOM 510 ND2 ASN C 34 -10.814 10.087 5.077 1.00 0.00 N ATOM 0 H ASN C 34 -12.817 6.369 7.255 1.00 0.00 H new ATOM 0 HA ASN C 34 -11.724 7.512 4.775 1.00 0.00 H new ATOM 0 HB2 ASN C 34 -13.482 8.621 6.351 1.00 0.00 H new ATOM 0 HB3 ASN C 34 -12.125 8.913 7.421 1.00 0.00 H new ATOM 0 HD21 ASN C 34 -10.532 10.912 4.548 1.00 0.00 H new ATOM 0 HD22 ASN C 34 -10.154 9.323 5.220 1.00 0.00 H new ATOM 517 N GLN C 35 -9.745 6.206 6.409 1.00 0.00 N ATOM 518 CA GLN C 35 -8.374 6.026 6.830 1.00 0.00 C ATOM 519 C GLN C 35 -7.694 4.874 6.107 1.00 0.00 C ATOM 520 O GLN C 35 -8.285 3.816 5.882 1.00 0.00 O ATOM 521 CB GLN C 35 -8.286 5.788 8.330 1.00 0.00 C ATOM 522 CG GLN C 35 -6.862 5.570 8.800 1.00 0.00 C ATOM 523 CD GLN C 35 -6.772 5.301 10.286 1.00 0.00 C ATOM 524 OE1 GLN C 35 -6.830 4.155 10.727 1.00 0.00 O ATOM 525 NE2 GLN C 35 -6.637 6.359 11.068 1.00 0.00 N ATOM 0 H GLN C 35 -10.238 5.345 6.173 1.00 0.00 H new ATOM 0 HA GLN C 35 -7.855 6.950 6.573 1.00 0.00 H new ATOM 0 HB2 GLN C 35 -8.712 6.642 8.856 1.00 0.00 H new ATOM 0 HB3 GLN C 35 -8.889 4.919 8.593 1.00 0.00 H new ATOM 0 HG2 GLN C 35 -6.429 4.731 8.256 1.00 0.00 H new ATOM 0 HG3 GLN C 35 -6.265 6.449 8.557 1.00 0.00 H new ATOM 0 HE21 GLN C 35 -6.593 7.293 10.660 1.00 0.00 H new ATOM 0 HE22 GLN C 35 -6.577 6.241 12.079 1.00 0.00 H new ATOM 534 N LEU C 36 -6.442 5.110 5.755 1.00 0.00 N ATOM 535 CA LEU C 36 -5.551 4.075 5.276 1.00 0.00 C ATOM 536 C LEU C 36 -4.331 4.074 6.188 1.00 0.00 C ATOM 537 O LEU C 36 -3.651 5.092 6.311 1.00 0.00 O ATOM 538 CB LEU C 36 -5.141 4.355 3.819 1.00 0.00 C ATOM 539 CG LEU C 36 -4.546 3.178 3.019 1.00 0.00 C ATOM 540 CD1 LEU C 36 -3.212 2.718 3.590 1.00 0.00 C ATOM 541 CD2 LEU C 36 -5.527 2.021 2.960 1.00 0.00 C ATOM 0 H LEU C 36 -6.014 6.035 5.795 1.00 0.00 H new ATOM 0 HA LEU C 36 -6.041 3.102 5.294 1.00 0.00 H new ATOM 0 HB2 LEU C 36 -6.019 4.718 3.284 1.00 0.00 H new ATOM 0 HB3 LEU C 36 -4.412 5.165 3.822 1.00 0.00 H new ATOM 0 HG LEU C 36 -4.362 3.535 2.006 1.00 0.00 H new ATOM 0 HD11 LEU C 36 -2.829 1.888 2.996 1.00 0.00 H new ATOM 0 HD12 LEU C 36 -2.500 3.543 3.562 1.00 0.00 H new ATOM 0 HD13 LEU C 36 -3.350 2.393 4.621 1.00 0.00 H new ATOM 0 HD21 LEU C 36 -5.089 1.201 2.391 1.00 0.00 H new ATOM 0 HD22 LEU C 36 -5.751 1.682 3.971 1.00 0.00 H new ATOM 0 HD23 LEU C 36 -6.447 2.348 2.475 1.00 0.00 H new ATOM 553 N LYS C 37 -4.091 2.962 6.858 1.00 0.00 N ATOM 554 CA LYS C 37 -2.947 2.843 7.751 1.00 0.00 C ATOM 555 C LYS C 37 -2.145 1.603 7.384 1.00 0.00 C ATOM 556 O LYS C 37 -2.589 0.468 7.561 1.00 0.00 O ATOM 557 CB LYS C 37 -3.394 2.807 9.225 1.00 0.00 C ATOM 558 CG LYS C 37 -4.244 1.606 9.615 1.00 0.00 C ATOM 559 CD LYS C 37 -4.595 1.641 11.093 1.00 0.00 C ATOM 560 CE LYS C 37 -5.151 0.310 11.583 1.00 0.00 C ATOM 561 NZ LYS C 37 -6.410 -0.077 10.891 1.00 0.00 N1+ ATOM 0 H LYS C 37 -4.672 2.126 6.802 1.00 0.00 H new ATOM 0 HA LYS C 37 -2.311 3.720 7.632 1.00 0.00 H new ATOM 0 HB2 LYS C 37 -2.507 2.825 9.858 1.00 0.00 H new ATOM 0 HB3 LYS C 37 -3.957 3.715 9.440 1.00 0.00 H new ATOM 0 HG2 LYS C 37 -5.158 1.595 9.021 1.00 0.00 H new ATOM 0 HG3 LYS C 37 -3.705 0.686 9.388 1.00 0.00 H new ATOM 0 HD2 LYS C 37 -3.706 1.896 11.670 1.00 0.00 H new ATOM 0 HD3 LYS C 37 -5.328 2.427 11.272 1.00 0.00 H new ATOM 0 HE2 LYS C 37 -4.404 -0.469 11.431 1.00 0.00 H new ATOM 0 HE3 LYS C 37 -5.335 0.371 12.656 1.00 0.00 H new ATOM 0 HZ1 LYS C 37 -6.984 -0.672 11.522 1.00 0.00 H new ATOM 0 HZ2 LYS C 37 -6.946 0.779 10.640 1.00 0.00 H new ATOM 0 HZ3 LYS C 37 -6.182 -0.608 10.026 1.00 0.00 H new ATOM 575 N ALA C 38 -0.990 1.832 6.802 1.00 0.00 N ATOM 576 CA ALA C 38 -0.077 0.760 6.474 1.00 0.00 C ATOM 577 C ALA C 38 1.198 0.914 7.275 1.00 0.00 C ATOM 578 O ALA C 38 1.863 1.943 7.200 1.00 0.00 O ATOM 579 CB ALA C 38 0.216 0.758 4.984 1.00 0.00 C ATOM 0 H ALA C 38 -0.658 2.761 6.544 1.00 0.00 H new ATOM 0 HA ALA C 38 -0.535 -0.195 6.729 1.00 0.00 H new ATOM 0 HB1 ALA C 38 0.905 -0.054 4.750 1.00 0.00 H new ATOM 0 HB2 ALA C 38 -0.713 0.617 4.431 1.00 0.00 H new ATOM 0 HB3 ALA C 38 0.667 1.709 4.701 1.00 0.00 H new ATOM 585 N THR C 39 1.526 -0.095 8.054 1.00 0.00 N ATOM 586 CA THR C 39 2.746 -0.070 8.831 1.00 0.00 C ATOM 587 C THR C 39 3.838 -0.813 8.088 1.00 0.00 C ATOM 588 O THR C 39 3.556 -1.717 7.298 1.00 0.00 O ATOM 589 CB THR C 39 2.548 -0.706 10.220 1.00 0.00 C ATOM 590 OG1 THR C 39 2.028 -2.032 10.075 1.00 0.00 O ATOM 591 CG2 THR C 39 1.606 0.128 11.076 1.00 0.00 C ATOM 0 H THR C 39 0.966 -0.940 8.166 1.00 0.00 H new ATOM 0 HA THR C 39 3.031 0.973 8.973 1.00 0.00 H new ATOM 0 HB THR C 39 3.516 -0.745 10.719 1.00 0.00 H new ATOM 0 HG1 THR C 39 1.905 -2.434 10.960 1.00 0.00 H new ATOM 0 HG21 THR C 39 1.485 -0.345 12.051 1.00 0.00 H new ATOM 0 HG22 THR C 39 2.022 1.127 11.207 1.00 0.00 H new ATOM 0 HG23 THR C 39 0.636 0.200 10.585 1.00 0.00 H new ATOM 599 N SER C 40 5.072 -0.418 8.314 1.00 0.00 N ATOM 600 CA SER C 40 6.191 -1.024 7.633 1.00 0.00 C ATOM 601 C SER C 40 7.194 -1.566 8.624 1.00 0.00 C ATOM 602 O SER C 40 7.763 -0.828 9.426 1.00 0.00 O ATOM 603 CB SER C 40 6.837 -0.006 6.713 1.00 0.00 C ATOM 604 OG SER C 40 5.883 0.494 5.800 1.00 0.00 O ATOM 0 H SER C 40 5.325 0.324 8.967 1.00 0.00 H new ATOM 0 HA SER C 40 5.831 -1.862 7.036 1.00 0.00 H new ATOM 0 HB2 SER C 40 7.255 0.812 7.299 1.00 0.00 H new ATOM 0 HB3 SER C 40 7.664 -0.466 6.172 1.00 0.00 H new ATOM 0 HG SER C 40 5.561 1.367 6.109 1.00 0.00 H new ATOM 610 N SER C 41 7.399 -2.863 8.565 1.00 0.00 N ATOM 611 CA SER C 41 8.345 -3.512 9.433 1.00 0.00 C ATOM 612 C SER C 41 9.628 -3.796 8.660 1.00 0.00 C ATOM 613 O SER C 41 9.742 -3.419 7.483 1.00 0.00 O ATOM 614 CB SER C 41 7.725 -4.790 10.015 1.00 0.00 C ATOM 615 OG SER C 41 8.564 -5.386 10.991 1.00 0.00 O ATOM 0 H SER C 41 6.918 -3.489 7.919 1.00 0.00 H new ATOM 0 HA SER C 41 8.597 -2.862 10.271 1.00 0.00 H new ATOM 0 HB2 SER C 41 6.759 -4.554 10.461 1.00 0.00 H new ATOM 0 HB3 SER C 41 7.540 -5.503 9.211 1.00 0.00 H new ATOM 0 HG SER C 41 8.136 -6.196 11.340 1.00 0.00 H new ATOM 621 N ASN C 42 10.568 -4.461 9.328 1.00 0.00 N ATOM 622 CA ASN C 42 11.932 -4.643 8.833 1.00 0.00 C ATOM 623 C ASN C 42 12.693 -3.334 8.934 1.00 0.00 C ATOM 624 O ASN C 42 13.494 -2.993 8.066 1.00 0.00 O ATOM 625 CB ASN C 42 11.968 -5.192 7.402 1.00 0.00 C ATOM 626 CG ASN C 42 12.928 -6.357 7.267 1.00 0.00 C ATOM 627 OD1 ASN C 42 12.564 -7.505 7.519 1.00 0.00 O ATOM 628 ND2 ASN C 42 14.155 -6.074 6.863 1.00 0.00 N ATOM 0 H ASN C 42 10.403 -4.893 10.237 1.00 0.00 H new ATOM 0 HA ASN C 42 12.417 -5.391 9.461 1.00 0.00 H new ATOM 0 HB2 ASN C 42 10.967 -5.511 7.110 1.00 0.00 H new ATOM 0 HB3 ASN C 42 12.262 -4.398 6.716 1.00 0.00 H new ATOM 0 HD21 ASN C 42 14.840 -6.821 6.750 1.00 0.00 H new ATOM 0 HD22 ASN C 42 14.417 -5.108 6.664 1.00 0.00 H new ATOM 635 N ALA C 43 12.392 -2.594 10.001 1.00 0.00 N ATOM 636 CA ALA C 43 13.110 -1.375 10.364 1.00 0.00 C ATOM 637 C ALA C 43 13.043 -0.305 9.277 1.00 0.00 C ATOM 638 O ALA C 43 13.967 0.500 9.121 1.00 0.00 O ATOM 639 CB ALA C 43 14.549 -1.704 10.720 1.00 0.00 C ATOM 0 H ALA C 43 11.635 -2.827 10.643 1.00 0.00 H new ATOM 0 HA ALA C 43 12.614 -0.953 11.238 1.00 0.00 H new ATOM 0 HB1 ALA C 43 15.076 -0.788 10.989 1.00 0.00 H new ATOM 0 HB2 ALA C 43 14.566 -2.394 11.564 1.00 0.00 H new ATOM 0 HB3 ALA C 43 15.039 -2.166 9.863 1.00 0.00 H new ATOM 645 N GLY C 44 11.952 -0.307 8.522 1.00 0.00 N ATOM 646 CA GLY C 44 11.718 0.738 7.545 1.00 0.00 C ATOM 647 C GLY C 44 12.500 0.549 6.259 1.00 0.00 C ATOM 648 O GLY C 44 12.342 1.331 5.320 1.00 0.00 O ATOM 0 H GLY C 44 11.222 -1.018 8.570 1.00 0.00 H new ATOM 0 HA2 GLY C 44 10.654 0.775 7.312 1.00 0.00 H new ATOM 0 HA3 GLY C 44 11.982 1.700 7.984 1.00 0.00 H new ATOM 652 N TYR C 45 13.341 -0.481 6.213 1.00 0.00 N ATOM 653 CA TYR C 45 14.132 -0.772 5.022 1.00 0.00 C ATOM 654 C TYR C 45 13.236 -1.010 3.823 1.00 0.00 C ATOM 655 O TYR C 45 12.157 -1.586 3.952 1.00 0.00 O ATOM 656 CB TYR C 45 14.999 -2.016 5.229 1.00 0.00 C ATOM 657 CG TYR C 45 16.231 -1.790 6.082 1.00 0.00 C ATOM 658 CD1 TYR C 45 17.381 -1.241 5.530 1.00 0.00 C ATOM 659 CD2 TYR C 45 16.256 -2.138 7.428 1.00 0.00 C ATOM 660 CE1 TYR C 45 18.517 -1.046 6.292 1.00 0.00 C ATOM 661 CE2 TYR C 45 17.385 -1.943 8.196 1.00 0.00 C ATOM 662 CZ TYR C 45 18.514 -1.398 7.625 1.00 0.00 C ATOM 663 OH TYR C 45 19.646 -1.211 8.389 1.00 0.00 O ATOM 0 H TYR C 45 13.492 -1.128 6.987 1.00 0.00 H new ATOM 0 HA TYR C 45 14.769 0.094 4.842 1.00 0.00 H new ATOM 0 HB2 TYR C 45 14.391 -2.794 5.691 1.00 0.00 H new ATOM 0 HB3 TYR C 45 15.311 -2.392 4.255 1.00 0.00 H new ATOM 0 HD1 TYR C 45 17.388 -0.962 4.487 1.00 0.00 H new ATOM 0 HD2 TYR C 45 15.375 -2.569 7.880 1.00 0.00 H new ATOM 0 HE1 TYR C 45 19.403 -0.620 5.845 1.00 0.00 H new ATOM 0 HE2 TYR C 45 17.384 -2.216 9.241 1.00 0.00 H new ATOM 0 HH TYR C 45 19.475 -1.510 9.306 1.00 0.00 H new ATOM 673 N GLY C 46 13.686 -0.558 2.664 1.00 0.00 N ATOM 674 CA GLY C 46 13.007 -0.876 1.430 1.00 0.00 C ATOM 675 C GLY C 46 13.264 -2.316 1.037 1.00 0.00 C ATOM 676 O GLY C 46 13.613 -3.144 1.883 1.00 0.00 O ATOM 0 H GLY C 46 14.515 0.027 2.557 1.00 0.00 H new ATOM 0 HA2 GLY C 46 11.936 -0.710 1.545 1.00 0.00 H new ATOM 0 HA3 GLY C 46 13.350 -0.210 0.638 1.00 0.00 H new ATOM 680 N ILE C 47 13.105 -2.633 -0.235 1.00 0.00 N ATOM 681 CA ILE C 47 13.440 -3.966 -0.704 1.00 0.00 C ATOM 682 C ILE C 47 14.925 -4.177 -0.618 1.00 0.00 C ATOM 683 O ILE C 47 15.430 -4.921 0.214 1.00 0.00 O ATOM 684 CB ILE C 47 13.096 -4.189 -2.182 1.00 0.00 C ATOM 685 CG1 ILE C 47 11.703 -3.704 -2.515 1.00 0.00 C ATOM 686 CG2 ILE C 47 13.252 -5.662 -2.546 1.00 0.00 C ATOM 687 CD1 ILE C 47 11.396 -3.800 -3.984 1.00 0.00 C ATOM 0 H ILE C 47 12.752 -1.998 -0.951 1.00 0.00 H new ATOM 0 HA ILE C 47 12.865 -4.647 -0.076 1.00 0.00 H new ATOM 0 HB ILE C 47 13.796 -3.601 -2.776 1.00 0.00 H new ATOM 0 HG12 ILE C 47 10.974 -4.290 -1.956 1.00 0.00 H new ATOM 0 HG13 ILE C 47 11.595 -2.669 -2.191 1.00 0.00 H new ATOM 0 HG21 ILE C 47 13.005 -5.805 -3.598 1.00 0.00 H new ATOM 0 HG22 ILE C 47 14.282 -5.973 -2.370 1.00 0.00 H new ATOM 0 HG23 ILE C 47 12.581 -6.262 -1.931 1.00 0.00 H new ATOM 0 HD11 ILE C 47 10.384 -3.439 -4.169 1.00 0.00 H new ATOM 0 HD12 ILE C 47 12.106 -3.192 -4.545 1.00 0.00 H new ATOM 0 HD13 ILE C 47 11.475 -4.839 -4.305 1.00 0.00 H new ATOM 699 N SER C 48 15.615 -3.453 -1.466 1.00 0.00 N ATOM 700 CA SER C 48 16.987 -3.740 -1.747 1.00 0.00 C ATOM 701 C SER C 48 17.516 -2.701 -2.732 1.00 0.00 C ATOM 702 O SER C 48 17.085 -1.546 -2.700 1.00 0.00 O ATOM 703 CB SER C 48 17.071 -5.160 -2.321 1.00 0.00 C ATOM 704 OG SER C 48 18.397 -5.661 -2.277 1.00 0.00 O ATOM 0 H SER C 48 15.237 -2.654 -1.975 1.00 0.00 H new ATOM 0 HA SER C 48 17.598 -3.692 -0.846 1.00 0.00 H new ATOM 0 HB2 SER C 48 16.412 -5.821 -1.757 1.00 0.00 H new ATOM 0 HB3 SER C 48 16.715 -5.159 -3.351 1.00 0.00 H new ATOM 0 HG SER C 48 18.417 -6.568 -2.648 1.00 0.00 H new ATOM 710 N TYR C 49 18.426 -3.100 -3.604 1.00 0.00 N ATOM 711 CA TYR C 49 18.988 -2.187 -4.591 1.00 0.00 C ATOM 712 C TYR C 49 18.032 -1.992 -5.771 1.00 0.00 C ATOM 713 O TYR C 49 18.077 -0.972 -6.458 1.00 0.00 O ATOM 714 CB TYR C 49 20.330 -2.728 -5.084 1.00 0.00 C ATOM 715 CG TYR C 49 21.010 -1.837 -6.117 1.00 0.00 C ATOM 716 CD1 TYR C 49 21.556 -0.604 -5.757 1.00 0.00 C ATOM 717 CD2 TYR C 49 21.106 -2.225 -7.455 1.00 0.00 C ATOM 718 CE1 TYR C 49 22.172 0.204 -6.692 1.00 0.00 C ATOM 719 CE2 TYR C 49 21.722 -1.416 -8.389 1.00 0.00 C ATOM 720 CZ TYR C 49 22.253 -0.207 -8.004 1.00 0.00 C ATOM 721 OH TYR C 49 22.868 0.597 -8.937 1.00 0.00 O ATOM 0 H TYR C 49 18.793 -4.050 -3.651 1.00 0.00 H new ATOM 0 HA TYR C 49 19.138 -1.217 -4.118 1.00 0.00 H new ATOM 0 HB2 TYR C 49 20.996 -2.853 -4.231 1.00 0.00 H new ATOM 0 HB3 TYR C 49 20.176 -3.717 -5.516 1.00 0.00 H new ATOM 0 HD1 TYR C 49 21.496 -0.276 -4.730 1.00 0.00 H new ATOM 0 HD2 TYR C 49 20.692 -3.173 -7.764 1.00 0.00 H new ATOM 0 HE1 TYR C 49 22.589 1.155 -6.395 1.00 0.00 H new ATOM 0 HE2 TYR C 49 21.787 -1.732 -9.420 1.00 0.00 H new ATOM 0 HH TYR C 49 22.841 0.160 -9.814 1.00 0.00 H new ATOM 731 N GLU C 50 17.163 -2.968 -5.990 1.00 0.00 N ATOM 732 CA GLU C 50 16.272 -2.964 -7.148 1.00 0.00 C ATOM 733 C GLU C 50 15.147 -1.949 -7.022 1.00 0.00 C ATOM 734 O GLU C 50 14.529 -1.799 -5.966 1.00 0.00 O ATOM 735 CB GLU C 50 15.697 -4.366 -7.381 1.00 0.00 C ATOM 736 CG GLU C 50 15.076 -4.991 -6.141 1.00 0.00 C ATOM 737 CD GLU C 50 14.940 -6.493 -6.259 1.00 0.00 C ATOM 738 OE1 GLU C 50 13.944 -6.968 -6.840 1.00 0.00 O ATOM 739 OE2 GLU C 50 15.841 -7.208 -5.777 1.00 0.00 O1- ATOM 0 H GLU C 50 17.053 -3.778 -5.380 1.00 0.00 H new ATOM 0 HA GLU C 50 16.872 -2.667 -8.008 1.00 0.00 H new ATOM 0 HB2 GLU C 50 14.942 -4.313 -8.166 1.00 0.00 H new ATOM 0 HB3 GLU C 50 16.491 -5.018 -7.746 1.00 0.00 H new ATOM 0 HG2 GLU C 50 15.688 -4.752 -5.271 1.00 0.00 H new ATOM 0 HG3 GLU C 50 14.093 -4.552 -5.970 1.00 0.00 H new ATOM 746 N ASP C 51 14.895 -1.259 -8.126 1.00 0.00 N ATOM 747 CA ASP C 51 13.842 -0.262 -8.198 1.00 0.00 C ATOM 748 C ASP C 51 12.548 -0.905 -8.655 1.00 0.00 C ATOM 749 O ASP C 51 12.552 -1.827 -9.470 1.00 0.00 O ATOM 750 CB ASP C 51 14.222 0.870 -9.160 1.00 0.00 C ATOM 751 CG ASP C 51 14.206 0.447 -10.618 1.00 0.00 C ATOM 752 OD1 ASP C 51 13.245 0.803 -11.337 1.00 0.00 O ATOM 753 OD2 ASP C 51 15.151 -0.245 -11.053 1.00 0.00 O1- ATOM 0 H ASP C 51 15.416 -1.376 -8.995 1.00 0.00 H new ATOM 0 HA ASP C 51 13.707 0.160 -7.202 1.00 0.00 H new ATOM 0 HB2 ASP C 51 13.532 1.702 -9.022 1.00 0.00 H new ATOM 0 HB3 ASP C 51 15.217 1.236 -8.905 1.00 0.00 H new ATOM 758 N LYS C 52 11.447 -0.407 -8.129 1.00 0.00 N ATOM 759 CA LYS C 52 10.141 -0.900 -8.448 1.00 0.00 C ATOM 760 C LYS C 52 9.211 0.278 -8.520 1.00 0.00 C ATOM 761 O LYS C 52 9.118 1.073 -7.581 1.00 0.00 O ATOM 762 CB LYS C 52 9.634 -1.903 -7.411 1.00 0.00 C ATOM 763 CG LYS C 52 9.935 -3.357 -7.745 1.00 0.00 C ATOM 764 CD LYS C 52 11.389 -3.723 -7.496 1.00 0.00 C ATOM 765 CE LYS C 52 11.635 -5.209 -7.699 1.00 0.00 C ATOM 766 NZ LYS C 52 11.292 -5.654 -9.075 1.00 0.00 N1+ ATOM 0 H LYS C 52 11.445 0.362 -7.459 1.00 0.00 H new ATOM 0 HA LYS C 52 10.184 -1.428 -9.401 1.00 0.00 H new ATOM 0 HB2 LYS C 52 10.079 -1.665 -6.445 1.00 0.00 H new ATOM 0 HB3 LYS C 52 8.556 -1.783 -7.304 1.00 0.00 H new ATOM 0 HG2 LYS C 52 9.293 -4.004 -7.147 1.00 0.00 H new ATOM 0 HG3 LYS C 52 9.691 -3.544 -8.791 1.00 0.00 H new ATOM 0 HD2 LYS C 52 12.029 -3.152 -8.169 1.00 0.00 H new ATOM 0 HD3 LYS C 52 11.666 -3.443 -6.480 1.00 0.00 H new ATOM 0 HE2 LYS C 52 12.683 -5.433 -7.498 1.00 0.00 H new ATOM 0 HE3 LYS C 52 11.044 -5.775 -6.979 1.00 0.00 H new ATOM 0 HZ1 LYS C 52 11.616 -6.632 -9.214 1.00 0.00 H new ATOM 0 HZ2 LYS C 52 10.262 -5.608 -9.208 1.00 0.00 H new ATOM 0 HZ3 LYS C 52 11.758 -5.033 -9.767 1.00 0.00 H new ATOM 780 N ASN C 53 8.537 0.376 -9.628 1.00 0.00 N ATOM 781 CA ASN C 53 7.631 1.481 -9.886 1.00 0.00 C ATOM 782 C ASN C 53 6.294 1.156 -9.275 1.00 0.00 C ATOM 783 O ASN C 53 5.617 0.231 -9.701 1.00 0.00 O ATOM 784 CB ASN C 53 7.454 1.708 -11.381 1.00 0.00 C ATOM 785 CG ASN C 53 6.765 3.023 -11.688 1.00 0.00 C ATOM 786 OD1 ASN C 53 7.025 4.041 -11.042 1.00 0.00 O ATOM 787 ND2 ASN C 53 5.838 3.003 -12.635 1.00 0.00 N ATOM 0 H ASN C 53 8.593 -0.304 -10.386 1.00 0.00 H new ATOM 0 HA ASN C 53 8.048 2.388 -9.449 1.00 0.00 H new ATOM 0 HB2 ASN C 53 8.430 1.690 -11.867 1.00 0.00 H new ATOM 0 HB3 ASN C 53 6.872 0.889 -11.804 1.00 0.00 H new ATOM 0 HD21 ASN C 53 5.311 3.849 -12.851 1.00 0.00 H new ATOM 0 HD22 ASN C 53 5.651 2.141 -13.148 1.00 0.00 H new ATOM 794 N TRP C 54 5.942 1.905 -8.261 1.00 0.00 N ATOM 795 CA TRP C 54 4.810 1.575 -7.428 1.00 0.00 C ATOM 796 C TRP C 54 3.747 2.653 -7.396 1.00 0.00 C ATOM 797 O TRP C 54 4.034 3.808 -7.698 1.00 0.00 O ATOM 798 CB TRP C 54 5.312 1.373 -6.035 1.00 0.00 C ATOM 799 CG TRP C 54 5.093 0.003 -5.578 1.00 0.00 C ATOM 800 CD1 TRP C 54 5.941 -1.046 -5.640 1.00 0.00 C ATOM 801 CD2 TRP C 54 3.903 -0.456 -5.015 1.00 0.00 C ATOM 802 NE1 TRP C 54 5.335 -2.154 -5.096 1.00 0.00 N ATOM 803 CE2 TRP C 54 4.067 -1.806 -4.703 1.00 0.00 C ATOM 804 CE3 TRP C 54 2.715 0.178 -4.735 1.00 0.00 C ATOM 805 CZ2 TRP C 54 3.052 -2.543 -4.111 1.00 0.00 C ATOM 806 CZ3 TRP C 54 1.718 -0.526 -4.160 1.00 0.00 C ATOM 807 CH2 TRP C 54 1.881 -1.887 -3.843 1.00 0.00 C ATOM 0 H TRP C 54 6.429 2.759 -7.989 1.00 0.00 H new ATOM 0 HA TRP C 54 4.346 0.681 -7.846 1.00 0.00 H new ATOM 0 HB2 TRP C 54 6.376 1.605 -5.994 1.00 0.00 H new ATOM 0 HB3 TRP C 54 4.808 2.067 -5.362 1.00 0.00 H new ATOM 0 HD1 TRP C 54 6.939 -1.019 -6.052 1.00 0.00 H new ATOM 0 HE1 TRP C 54 5.756 -3.078 -5.001 1.00 0.00 H new ATOM 0 HE3 TRP C 54 2.582 1.223 -4.972 1.00 0.00 H new ATOM 0 HZ2 TRP C 54 3.180 -3.588 -3.872 1.00 0.00 H new ATOM 0 HZ3 TRP C 54 0.780 -0.037 -3.940 1.00 0.00 H new ATOM 0 HH2 TRP C 54 1.067 -2.424 -3.379 1.00 0.00 H new ATOM 818 N GLY C 55 2.524 2.291 -6.983 1.00 0.00 N ATOM 819 CA GLY C 55 1.494 3.289 -6.901 1.00 0.00 C ATOM 820 C GLY C 55 0.207 2.883 -6.210 1.00 0.00 C ATOM 821 O GLY C 55 -0.113 1.703 -6.064 1.00 0.00 O ATOM 0 H GLY C 55 2.248 1.347 -6.714 1.00 0.00 H new ATOM 0 HA2 GLY C 55 1.901 4.156 -6.381 1.00 0.00 H new ATOM 0 HA3 GLY C 55 1.250 3.610 -7.914 1.00 0.00 H new ATOM 825 N ILE C 56 -0.519 3.909 -5.773 1.00 0.00 N ATOM 826 CA ILE C 56 -1.852 3.758 -5.194 1.00 0.00 C ATOM 827 C ILE C 56 -2.906 4.427 -6.074 1.00 0.00 C ATOM 828 O ILE C 56 -2.742 5.580 -6.472 1.00 0.00 O ATOM 829 CB ILE C 56 -1.935 4.392 -3.786 1.00 0.00 C ATOM 830 CG1 ILE C 56 -1.256 3.521 -2.744 1.00 0.00 C ATOM 831 CG2 ILE C 56 -3.381 4.637 -3.379 1.00 0.00 C ATOM 832 CD1 ILE C 56 0.253 3.460 -2.852 1.00 0.00 C ATOM 0 H ILE C 56 -0.197 4.876 -5.811 1.00 0.00 H new ATOM 0 HA ILE C 56 -2.042 2.687 -5.124 1.00 0.00 H new ATOM 0 HB ILE C 56 -1.413 5.348 -3.836 1.00 0.00 H new ATOM 0 HG12 ILE C 56 -1.520 3.891 -1.753 1.00 0.00 H new ATOM 0 HG13 ILE C 56 -1.653 2.509 -2.823 1.00 0.00 H new ATOM 0 HG21 ILE C 56 -3.409 5.083 -2.385 1.00 0.00 H new ATOM 0 HG22 ILE C 56 -3.851 5.313 -4.093 1.00 0.00 H new ATOM 0 HG23 ILE C 56 -3.921 3.690 -3.367 1.00 0.00 H new ATOM 0 HD11 ILE C 56 0.648 2.815 -2.067 1.00 0.00 H new ATOM 0 HD12 ILE C 56 0.532 3.059 -3.826 1.00 0.00 H new ATOM 0 HD13 ILE C 56 0.667 4.462 -2.740 1.00 0.00 H new ATOM 844 N PHE C 57 -3.988 3.707 -6.359 1.00 0.00 N ATOM 845 CA PHE C 57 -5.103 4.260 -7.122 1.00 0.00 C ATOM 846 C PHE C 57 -6.419 4.013 -6.384 1.00 0.00 C ATOM 847 O PHE C 57 -6.899 2.883 -6.324 1.00 0.00 O ATOM 848 CB PHE C 57 -5.188 3.630 -8.521 1.00 0.00 C ATOM 849 CG PHE C 57 -3.860 3.368 -9.170 1.00 0.00 C ATOM 850 CD1 PHE C 57 -3.330 4.263 -10.082 1.00 0.00 C ATOM 851 CD2 PHE C 57 -3.145 2.218 -8.870 1.00 0.00 C ATOM 852 CE1 PHE C 57 -2.110 4.020 -10.679 1.00 0.00 C ATOM 853 CE2 PHE C 57 -1.925 1.971 -9.463 1.00 0.00 C ATOM 854 CZ PHE C 57 -1.408 2.873 -10.367 1.00 0.00 C ATOM 0 H PHE C 57 -4.116 2.737 -6.072 1.00 0.00 H new ATOM 0 HA PHE C 57 -4.931 5.331 -7.229 1.00 0.00 H new ATOM 0 HB2 PHE C 57 -5.734 2.690 -8.449 1.00 0.00 H new ATOM 0 HB3 PHE C 57 -5.770 4.288 -9.167 1.00 0.00 H new ATOM 0 HD1 PHE C 57 -3.877 5.161 -10.329 1.00 0.00 H new ATOM 0 HD2 PHE C 57 -3.549 1.508 -8.164 1.00 0.00 H new ATOM 0 HE1 PHE C 57 -1.705 4.726 -11.389 1.00 0.00 H new ATOM 0 HE2 PHE C 57 -1.376 1.073 -9.220 1.00 0.00 H new ATOM 0 HZ PHE C 57 -0.452 2.682 -10.832 1.00 0.00 H new ATOM 864 N VAL C 58 -6.994 5.056 -5.810 1.00 0.00 N ATOM 865 CA VAL C 58 -8.302 4.943 -5.175 1.00 0.00 C ATOM 866 C VAL C 58 -9.382 5.380 -6.158 1.00 0.00 C ATOM 867 O VAL C 58 -9.328 6.484 -6.697 1.00 0.00 O ATOM 868 CB VAL C 58 -8.397 5.768 -3.868 1.00 0.00 C ATOM 869 CG1 VAL C 58 -8.062 7.230 -4.107 1.00 0.00 C ATOM 870 CG2 VAL C 58 -9.780 5.637 -3.251 1.00 0.00 C ATOM 0 H VAL C 58 -6.581 5.988 -5.769 1.00 0.00 H new ATOM 0 HA VAL C 58 -8.450 3.899 -4.900 1.00 0.00 H new ATOM 0 HB VAL C 58 -7.662 5.366 -3.171 1.00 0.00 H new ATOM 0 HG11 VAL C 58 -8.139 7.779 -3.168 1.00 0.00 H new ATOM 0 HG12 VAL C 58 -7.046 7.312 -4.493 1.00 0.00 H new ATOM 0 HG13 VAL C 58 -8.760 7.650 -4.831 1.00 0.00 H new ATOM 0 HG21 VAL C 58 -9.826 6.224 -2.334 1.00 0.00 H new ATOM 0 HG22 VAL C 58 -10.528 6.003 -3.954 1.00 0.00 H new ATOM 0 HG23 VAL C 58 -9.979 4.590 -3.022 1.00 0.00 H new ATOM 880 N ASN C 59 -10.337 4.491 -6.419 1.00 0.00 N ATOM 881 CA ASN C 59 -11.364 4.732 -7.434 1.00 0.00 C ATOM 882 C ASN C 59 -10.717 5.014 -8.791 1.00 0.00 C ATOM 883 O ASN C 59 -11.248 5.769 -9.611 1.00 0.00 O ATOM 884 CB ASN C 59 -12.286 5.891 -7.032 1.00 0.00 C ATOM 885 CG ASN C 59 -13.131 5.572 -5.813 1.00 0.00 C ATOM 886 OD1 ASN C 59 -12.738 5.841 -4.678 1.00 0.00 O ATOM 887 ND2 ASN C 59 -14.300 4.992 -6.038 1.00 0.00 N ATOM 0 H ASN C 59 -10.423 3.594 -5.941 1.00 0.00 H new ATOM 0 HA ASN C 59 -11.973 3.831 -7.513 1.00 0.00 H new ATOM 0 HB2 ASN C 59 -11.683 6.776 -6.829 1.00 0.00 H new ATOM 0 HB3 ASN C 59 -12.940 6.136 -7.869 1.00 0.00 H new ATOM 0 HD21 ASN C 59 -14.909 4.753 -5.256 1.00 0.00 H new ATOM 0 HD22 ASN C 59 -14.591 4.785 -6.993 1.00 0.00 H new ATOM 894 N GLY C 60 -9.556 4.403 -9.009 1.00 0.00 N ATOM 895 CA GLY C 60 -8.824 4.584 -10.250 1.00 0.00 C ATOM 896 C GLY C 60 -7.960 5.838 -10.257 1.00 0.00 C ATOM 897 O GLY C 60 -7.317 6.145 -11.259 1.00 0.00 O ATOM 0 H GLY C 60 -9.105 3.779 -8.340 1.00 0.00 H new ATOM 0 HA2 GLY C 60 -8.191 3.713 -10.422 1.00 0.00 H new ATOM 0 HA3 GLY C 60 -9.531 4.633 -11.078 1.00 0.00 H new ATOM 901 N GLU C 61 -7.915 6.543 -9.136 1.00 0.00 N ATOM 902 CA GLU C 61 -7.183 7.801 -9.052 1.00 0.00 C ATOM 903 C GLU C 61 -5.896 7.624 -8.250 1.00 0.00 C ATOM 904 O GLU C 61 -5.927 7.228 -7.084 1.00 0.00 O ATOM 905 CB GLU C 61 -8.061 8.873 -8.399 1.00 0.00 C ATOM 906 CG GLU C 61 -7.401 10.239 -8.310 1.00 0.00 C ATOM 907 CD GLU C 61 -7.237 10.898 -9.663 1.00 0.00 C ATOM 908 OE1 GLU C 61 -8.089 11.733 -10.028 1.00 0.00 O ATOM 909 OE2 GLU C 61 -6.255 10.589 -10.367 1.00 0.00 O1- ATOM 0 H GLU C 61 -8.377 6.266 -8.270 1.00 0.00 H new ATOM 0 HA GLU C 61 -6.921 8.116 -10.062 1.00 0.00 H new ATOM 0 HB2 GLU C 61 -8.988 8.964 -8.966 1.00 0.00 H new ATOM 0 HB3 GLU C 61 -8.332 8.545 -7.395 1.00 0.00 H new ATOM 0 HG2 GLU C 61 -7.998 10.885 -7.666 1.00 0.00 H new ATOM 0 HG3 GLU C 61 -6.423 10.136 -7.840 1.00 0.00 H new ATOM 916 N LYS C 62 -4.769 7.916 -8.882 1.00 0.00 N ATOM 917 CA LYS C 62 -3.471 7.769 -8.240 1.00 0.00 C ATOM 918 C LYS C 62 -3.240 8.896 -7.239 1.00 0.00 C ATOM 919 O LYS C 62 -3.206 10.071 -7.609 1.00 0.00 O ATOM 920 CB LYS C 62 -2.361 7.749 -9.297 1.00 0.00 C ATOM 921 CG LYS C 62 -0.977 7.459 -8.731 1.00 0.00 C ATOM 922 CD LYS C 62 0.033 7.162 -9.834 1.00 0.00 C ATOM 923 CE LYS C 62 0.299 8.374 -10.717 1.00 0.00 C ATOM 924 NZ LYS C 62 0.952 9.485 -9.972 1.00 0.00 N1+ ATOM 0 H LYS C 62 -4.727 8.257 -9.842 1.00 0.00 H new ATOM 0 HA LYS C 62 -3.453 6.824 -7.698 1.00 0.00 H new ATOM 0 HB2 LYS C 62 -2.601 6.996 -10.048 1.00 0.00 H new ATOM 0 HB3 LYS C 62 -2.340 8.712 -9.807 1.00 0.00 H new ATOM 0 HG2 LYS C 62 -0.637 8.314 -8.146 1.00 0.00 H new ATOM 0 HG3 LYS C 62 -1.033 6.609 -8.050 1.00 0.00 H new ATOM 0 HD2 LYS C 62 0.969 6.829 -9.386 1.00 0.00 H new ATOM 0 HD3 LYS C 62 -0.335 6.341 -10.449 1.00 0.00 H new ATOM 0 HE2 LYS C 62 0.933 8.079 -11.553 1.00 0.00 H new ATOM 0 HE3 LYS C 62 -0.642 8.727 -11.139 1.00 0.00 H new ATOM 0 HZ1 LYS C 62 1.700 9.905 -10.560 1.00 0.00 H new ATOM 0 HZ2 LYS C 62 0.244 10.211 -9.741 1.00 0.00 H new ATOM 0 HZ3 LYS C 62 1.369 9.116 -9.093 1.00 0.00 H new ATOM 938 N VAL C 63 -3.097 8.537 -5.969 1.00 0.00 N ATOM 939 CA VAL C 63 -2.904 9.530 -4.918 1.00 0.00 C ATOM 940 C VAL C 63 -1.459 9.550 -4.434 1.00 0.00 C ATOM 941 O VAL C 63 -0.938 10.597 -4.048 1.00 0.00 O ATOM 942 CB VAL C 63 -3.842 9.294 -3.713 1.00 0.00 C ATOM 943 CG1 VAL C 63 -5.271 9.120 -4.180 1.00 0.00 C ATOM 944 CG2 VAL C 63 -3.407 8.097 -2.884 1.00 0.00 C ATOM 0 H VAL C 63 -3.111 7.571 -5.642 1.00 0.00 H new ATOM 0 HA VAL C 63 -3.150 10.495 -5.361 1.00 0.00 H new ATOM 0 HB VAL C 63 -3.782 10.176 -3.075 1.00 0.00 H new ATOM 0 HG11 VAL C 63 -5.918 8.955 -3.318 1.00 0.00 H new ATOM 0 HG12 VAL C 63 -5.593 10.017 -4.709 1.00 0.00 H new ATOM 0 HG13 VAL C 63 -5.333 8.262 -4.850 1.00 0.00 H new ATOM 0 HG21 VAL C 63 -4.093 7.966 -2.047 1.00 0.00 H new ATOM 0 HG22 VAL C 63 -3.417 7.201 -3.505 1.00 0.00 H new ATOM 0 HG23 VAL C 63 -2.399 8.264 -2.505 1.00 0.00 H new ATOM 954 N TYR C 64 -0.812 8.393 -4.454 1.00 0.00 N ATOM 955 CA TYR C 64 0.555 8.286 -3.988 1.00 0.00 C ATOM 956 C TYR C 64 1.326 7.322 -4.878 1.00 0.00 C ATOM 957 O TYR C 64 0.846 6.231 -5.184 1.00 0.00 O ATOM 958 CB TYR C 64 0.567 7.814 -2.528 1.00 0.00 C ATOM 959 CG TYR C 64 1.914 7.914 -1.845 1.00 0.00 C ATOM 960 CD1 TYR C 64 2.770 6.826 -1.804 1.00 0.00 C ATOM 961 CD2 TYR C 64 2.319 9.089 -1.224 1.00 0.00 C ATOM 962 CE1 TYR C 64 3.992 6.900 -1.167 1.00 0.00 C ATOM 963 CE2 TYR C 64 3.544 9.174 -0.588 1.00 0.00 C ATOM 964 CZ TYR C 64 4.377 8.076 -0.560 1.00 0.00 C ATOM 965 OH TYR C 64 5.594 8.151 0.083 1.00 0.00 O ATOM 0 H TYR C 64 -1.215 7.518 -4.789 1.00 0.00 H new ATOM 0 HA TYR C 64 1.038 9.262 -4.038 1.00 0.00 H new ATOM 0 HB2 TYR C 64 -0.156 8.402 -1.964 1.00 0.00 H new ATOM 0 HB3 TYR C 64 0.232 6.777 -2.492 1.00 0.00 H new ATOM 0 HD1 TYR C 64 2.476 5.902 -2.280 1.00 0.00 H new ATOM 0 HD2 TYR C 64 1.667 9.950 -1.238 1.00 0.00 H new ATOM 0 HE1 TYR C 64 4.644 6.040 -1.144 1.00 0.00 H new ATOM 0 HE2 TYR C 64 3.847 10.097 -0.115 1.00 0.00 H new ATOM 0 HH TYR C 64 5.712 9.049 0.456 1.00 0.00 H new ATOM 975 N THR C 65 2.497 7.742 -5.312 1.00 0.00 N ATOM 976 CA THR C 65 3.338 6.930 -6.175 1.00 0.00 C ATOM 977 C THR C 65 4.716 6.797 -5.529 1.00 0.00 C ATOM 978 O THR C 65 5.210 7.767 -4.950 1.00 0.00 O ATOM 979 CB THR C 65 3.486 7.603 -7.553 1.00 0.00 C ATOM 980 OG1 THR C 65 2.273 8.291 -7.885 1.00 0.00 O ATOM 981 CG2 THR C 65 3.803 6.591 -8.642 1.00 0.00 C ATOM 0 H THR C 65 2.894 8.652 -5.079 1.00 0.00 H new ATOM 0 HA THR C 65 2.885 5.948 -6.307 1.00 0.00 H new ATOM 0 HB THR C 65 4.316 8.307 -7.492 1.00 0.00 H new ATOM 0 HG1 THR C 65 2.324 9.216 -7.566 1.00 0.00 H new ATOM 0 HG21 THR C 65 3.900 7.104 -9.599 1.00 0.00 H new ATOM 0 HG22 THR C 65 4.738 6.084 -8.406 1.00 0.00 H new ATOM 0 HG23 THR C 65 2.998 5.858 -8.703 1.00 0.00 H new ATOM 989 N PHE C 66 5.346 5.628 -5.606 1.00 0.00 N ATOM 990 CA PHE C 66 6.627 5.450 -4.928 1.00 0.00 C ATOM 991 C PHE C 66 7.476 4.337 -5.528 1.00 0.00 C ATOM 992 O PHE C 66 7.164 3.786 -6.584 1.00 0.00 O ATOM 993 CB PHE C 66 6.408 5.198 -3.429 1.00 0.00 C ATOM 994 CG PHE C 66 5.715 3.899 -3.072 1.00 0.00 C ATOM 995 CD1 PHE C 66 6.450 2.740 -2.873 1.00 0.00 C ATOM 996 CD2 PHE C 66 4.337 3.848 -2.895 1.00 0.00 C ATOM 997 CE1 PHE C 66 5.834 1.561 -2.502 1.00 0.00 C ATOM 998 CE2 PHE C 66 3.713 2.664 -2.530 1.00 0.00 C ATOM 999 CZ PHE C 66 4.466 1.523 -2.331 1.00 0.00 C ATOM 0 H PHE C 66 5.004 4.812 -6.114 1.00 0.00 H new ATOM 0 HA PHE C 66 7.182 6.378 -5.069 1.00 0.00 H new ATOM 0 HB2 PHE C 66 7.377 5.219 -2.931 1.00 0.00 H new ATOM 0 HB3 PHE C 66 5.823 6.023 -3.023 1.00 0.00 H new ATOM 0 HD1 PHE C 66 7.521 2.760 -3.010 1.00 0.00 H new ATOM 0 HD2 PHE C 66 3.746 4.740 -3.043 1.00 0.00 H new ATOM 0 HE1 PHE C 66 6.423 0.669 -2.346 1.00 0.00 H new ATOM 0 HE2 PHE C 66 2.641 2.634 -2.402 1.00 0.00 H new ATOM 0 HZ PHE C 66 3.983 0.601 -2.042 1.00 0.00 H new ATOM 1009 N ASN C 67 8.582 4.059 -4.850 1.00 0.00 N ATOM 1010 CA ASN C 67 9.491 2.980 -5.199 1.00 0.00 C ATOM 1011 C ASN C 67 9.805 2.169 -3.948 1.00 0.00 C ATOM 1012 O ASN C 67 10.138 2.733 -2.907 1.00 0.00 O ATOM 1013 CB ASN C 67 10.791 3.537 -5.800 1.00 0.00 C ATOM 1014 CG ASN C 67 11.512 4.521 -4.890 1.00 0.00 C ATOM 1015 OD1 ASN C 67 10.900 5.223 -4.088 1.00 0.00 O ATOM 1016 ND2 ASN C 67 12.825 4.587 -5.023 1.00 0.00 N ATOM 0 H ASN C 67 8.876 4.587 -4.028 1.00 0.00 H new ATOM 0 HA ASN C 67 9.016 2.343 -5.945 1.00 0.00 H new ATOM 0 HB2 ASN C 67 11.461 2.708 -6.027 1.00 0.00 H new ATOM 0 HB3 ASN C 67 10.562 4.030 -6.745 1.00 0.00 H new ATOM 0 HD21 ASN C 67 13.364 5.236 -4.449 1.00 0.00 H new ATOM 0 HD22 ASN C 67 13.300 3.989 -5.699 1.00 0.00 H new ATOM 1023 N GLU C 68 9.697 0.849 -4.039 1.00 0.00 N ATOM 1024 CA GLU C 68 9.860 -0.001 -2.857 1.00 0.00 C ATOM 1025 C GLU C 68 11.279 0.009 -2.305 1.00 0.00 C ATOM 1026 O GLU C 68 11.516 -0.491 -1.209 1.00 0.00 O ATOM 1027 CB GLU C 68 9.481 -1.448 -3.131 1.00 0.00 C ATOM 1028 CG GLU C 68 8.002 -1.739 -3.240 1.00 0.00 C ATOM 1029 CD GLU C 68 7.728 -3.238 -3.220 1.00 0.00 C ATOM 1030 OE1 GLU C 68 7.935 -3.868 -2.156 1.00 0.00 O ATOM 1031 OE2 GLU C 68 7.323 -3.793 -4.266 1.00 0.00 O1- ATOM 0 H GLU C 68 9.500 0.346 -4.904 1.00 0.00 H new ATOM 0 HA GLU C 68 9.184 0.430 -2.119 1.00 0.00 H new ATOM 0 HB2 GLU C 68 9.961 -1.758 -4.059 1.00 0.00 H new ATOM 0 HB3 GLU C 68 9.895 -2.068 -2.335 1.00 0.00 H new ATOM 0 HG2 GLU C 68 7.474 -1.260 -2.416 1.00 0.00 H new ATOM 0 HG3 GLU C 68 7.612 -1.308 -4.162 1.00 0.00 H new ATOM 1038 N LYS C 69 12.229 0.543 -3.052 1.00 0.00 N ATOM 1039 CA LYS C 69 13.604 0.572 -2.578 1.00 0.00 C ATOM 1040 C LYS C 69 13.872 1.841 -1.791 1.00 0.00 C ATOM 1041 O LYS C 69 15.016 2.129 -1.437 1.00 0.00 O ATOM 1042 CB LYS C 69 14.595 0.461 -3.728 1.00 0.00 C ATOM 1043 CG LYS C 69 14.595 1.662 -4.646 1.00 0.00 C ATOM 1044 CD LYS C 69 15.556 1.445 -5.809 1.00 0.00 C ATOM 1045 CE LYS C 69 17.000 1.708 -5.403 1.00 0.00 C ATOM 1046 NZ LYS C 69 17.233 3.125 -5.006 1.00 0.00 N1+ ATOM 0 H LYS C 69 12.080 0.956 -3.973 1.00 0.00 H new ATOM 0 HA LYS C 69 13.740 -0.290 -1.926 1.00 0.00 H new ATOM 0 HB2 LYS C 69 15.597 0.325 -3.321 1.00 0.00 H new ATOM 0 HB3 LYS C 69 14.364 -0.431 -4.311 1.00 0.00 H new ATOM 0 HG2 LYS C 69 13.588 1.837 -5.026 1.00 0.00 H new ATOM 0 HG3 LYS C 69 14.884 2.553 -4.089 1.00 0.00 H new ATOM 0 HD2 LYS C 69 15.461 0.422 -6.174 1.00 0.00 H new ATOM 0 HD3 LYS C 69 15.284 2.104 -6.634 1.00 0.00 H new ATOM 0 HE2 LYS C 69 17.265 1.053 -4.573 1.00 0.00 H new ATOM 0 HE3 LYS C 69 17.659 1.454 -6.233 1.00 0.00 H new ATOM 0 HZ1 LYS C 69 17.986 3.532 -5.597 1.00 0.00 H new ATOM 0 HZ2 LYS C 69 16.357 3.671 -5.136 1.00 0.00 H new ATOM 0 HZ3 LYS C 69 17.519 3.163 -4.007 1.00 0.00 H new ATOM 1060 N SER C 70 12.826 2.610 -1.532 1.00 0.00 N ATOM 1061 CA SER C 70 12.956 3.760 -0.674 1.00 0.00 C ATOM 1062 C SER C 70 12.928 3.266 0.778 1.00 0.00 C ATOM 1063 O SER C 70 13.386 2.160 1.068 1.00 0.00 O ATOM 1064 CB SER C 70 11.823 4.760 -0.943 1.00 0.00 C ATOM 1065 OG SER C 70 12.050 5.997 -0.281 1.00 0.00 O ATOM 0 H SER C 70 11.889 2.455 -1.903 1.00 0.00 H new ATOM 0 HA SER C 70 13.894 4.280 -0.869 1.00 0.00 H new ATOM 0 HB2 SER C 70 11.735 4.931 -2.016 1.00 0.00 H new ATOM 0 HB3 SER C 70 10.876 4.336 -0.609 1.00 0.00 H new ATOM 0 HG SER C 70 11.312 6.612 -0.474 1.00 0.00 H new ATOM 1071 N THR C 71 12.400 4.058 1.684 1.00 0.00 N ATOM 1072 CA THR C 71 12.163 3.591 3.025 1.00 0.00 C ATOM 1073 C THR C 71 10.668 3.490 3.245 1.00 0.00 C ATOM 1074 O THR C 71 9.949 4.490 3.181 1.00 0.00 O ATOM 1075 CB THR C 71 12.810 4.519 4.063 1.00 0.00 C ATOM 1076 OG1 THR C 71 12.988 5.828 3.496 1.00 0.00 O ATOM 1077 CG2 THR C 71 14.149 3.965 4.521 1.00 0.00 C ATOM 0 H THR C 71 12.128 5.026 1.514 1.00 0.00 H new ATOM 0 HA THR C 71 12.620 2.609 3.150 1.00 0.00 H new ATOM 0 HB THR C 71 12.152 4.585 4.930 1.00 0.00 H new ATOM 0 HG1 THR C 71 12.482 6.483 4.020 1.00 0.00 H new ATOM 0 HG21 THR C 71 14.589 4.639 5.256 1.00 0.00 H new ATOM 0 HG22 THR C 71 14.002 2.983 4.971 1.00 0.00 H new ATOM 0 HG23 THR C 71 14.818 3.875 3.665 1.00 0.00 H new ATOM 1085 N VAL C 72 10.209 2.277 3.490 1.00 0.00 N ATOM 1086 CA VAL C 72 8.791 1.969 3.452 1.00 0.00 C ATOM 1087 C VAL C 72 8.007 2.712 4.533 1.00 0.00 C ATOM 1088 O VAL C 72 6.786 2.828 4.455 1.00 0.00 O ATOM 1089 CB VAL C 72 8.542 0.448 3.562 1.00 0.00 C ATOM 1090 CG1 VAL C 72 7.182 0.100 3.007 1.00 0.00 C ATOM 1091 CG2 VAL C 72 9.619 -0.337 2.832 1.00 0.00 C ATOM 0 H VAL C 72 10.804 1.481 3.720 1.00 0.00 H new ATOM 0 HA VAL C 72 8.427 2.313 2.484 1.00 0.00 H new ATOM 0 HB VAL C 72 8.578 0.176 4.617 1.00 0.00 H new ATOM 0 HG11 VAL C 72 7.019 -0.975 3.090 1.00 0.00 H new ATOM 0 HG12 VAL C 72 6.413 0.628 3.570 1.00 0.00 H new ATOM 0 HG13 VAL C 72 7.131 0.394 1.959 1.00 0.00 H new ATOM 0 HG21 VAL C 72 9.418 -1.404 2.926 1.00 0.00 H new ATOM 0 HG22 VAL C 72 9.620 -0.060 1.778 1.00 0.00 H new ATOM 0 HG23 VAL C 72 10.592 -0.111 3.268 1.00 0.00 H new ATOM 1101 N GLY C 73 8.706 3.263 5.510 1.00 0.00 N ATOM 1102 CA GLY C 73 8.028 3.993 6.563 1.00 0.00 C ATOM 1103 C GLY C 73 7.619 5.362 6.080 1.00 0.00 C ATOM 1104 O GLY C 73 6.523 5.841 6.375 1.00 0.00 O ATOM 0 H GLY C 73 9.722 3.220 5.595 1.00 0.00 H new ATOM 0 HA2 GLY C 73 7.148 3.438 6.889 1.00 0.00 H new ATOM 0 HA3 GLY C 73 8.684 4.088 7.428 1.00 0.00 H new ATOM 1108 N ASN C 74 8.499 5.979 5.306 1.00 0.00 N ATOM 1109 CA ASN C 74 8.191 7.246 4.665 1.00 0.00 C ATOM 1110 C ASN C 74 7.151 7.008 3.587 1.00 0.00 C ATOM 1111 O ASN C 74 6.325 7.861 3.294 1.00 0.00 O ATOM 1112 CB ASN C 74 9.444 7.872 4.040 1.00 0.00 C ATOM 1113 CG ASN C 74 10.591 8.038 5.021 1.00 0.00 C ATOM 1114 OD1 ASN C 74 11.757 8.032 4.627 1.00 0.00 O ATOM 1115 ND2 ASN C 74 10.281 8.166 6.301 1.00 0.00 N ATOM 0 H ASN C 74 9.433 5.621 5.107 1.00 0.00 H new ATOM 0 HA ASN C 74 7.810 7.936 5.418 1.00 0.00 H new ATOM 0 HB2 ASN C 74 9.775 7.250 3.208 1.00 0.00 H new ATOM 0 HB3 ASN C 74 9.186 8.847 3.626 1.00 0.00 H new ATOM 0 HD21 ASN C 74 11.020 8.264 6.997 1.00 0.00 H new ATOM 0 HD22 ASN C 74 9.303 8.167 6.591 1.00 0.00 H new ATOM 1122 N ILE C 75 7.200 5.819 3.011 1.00 0.00 N ATOM 1123 CA ILE C 75 6.253 5.417 1.988 1.00 0.00 C ATOM 1124 C ILE C 75 4.848 5.246 2.569 1.00 0.00 C ATOM 1125 O ILE C 75 3.955 6.054 2.308 1.00 0.00 O ATOM 1126 CB ILE C 75 6.688 4.090 1.323 1.00 0.00 C ATOM 1127 CG1 ILE C 75 7.983 4.278 0.518 1.00 0.00 C ATOM 1128 CG2 ILE C 75 5.580 3.545 0.439 1.00 0.00 C ATOM 1129 CD1 ILE C 75 8.483 3.004 -0.132 1.00 0.00 C ATOM 0 H ILE C 75 7.895 5.108 3.239 1.00 0.00 H new ATOM 0 HA ILE C 75 6.235 6.209 1.239 1.00 0.00 H new ATOM 0 HB ILE C 75 6.884 3.364 2.112 1.00 0.00 H new ATOM 0 HG12 ILE C 75 7.815 5.028 -0.254 1.00 0.00 H new ATOM 0 HG13 ILE C 75 8.758 4.668 1.178 1.00 0.00 H new ATOM 0 HG21 ILE C 75 5.906 2.611 -0.019 1.00 0.00 H new ATOM 0 HG22 ILE C 75 4.690 3.362 1.042 1.00 0.00 H new ATOM 0 HG23 ILE C 75 5.347 4.270 -0.341 1.00 0.00 H new ATOM 0 HD11 ILE C 75 9.400 3.212 -0.683 1.00 0.00 H new ATOM 0 HD12 ILE C 75 8.683 2.258 0.637 1.00 0.00 H new ATOM 0 HD13 ILE C 75 7.726 2.624 -0.818 1.00 0.00 H new ATOM 1141 N SER C 76 4.673 4.206 3.377 1.00 0.00 N ATOM 1142 CA SER C 76 3.349 3.790 3.823 1.00 0.00 C ATOM 1143 C SER C 76 2.681 4.823 4.702 1.00 0.00 C ATOM 1144 O SER C 76 1.504 5.125 4.544 1.00 0.00 O ATOM 1145 CB SER C 76 3.438 2.473 4.584 1.00 0.00 C ATOM 1146 OG SER C 76 4.339 1.586 3.948 1.00 0.00 O ATOM 0 H SER C 76 5.436 3.633 3.738 1.00 0.00 H new ATOM 0 HA SER C 76 2.741 3.669 2.926 1.00 0.00 H new ATOM 0 HB2 SER C 76 3.765 2.660 5.607 1.00 0.00 H new ATOM 0 HB3 SER C 76 2.451 2.015 4.644 1.00 0.00 H new ATOM 0 HG SER C 76 4.715 0.970 4.611 1.00 0.00 H new ATOM 1152 N ASN C 77 3.432 5.368 5.623 1.00 0.00 N ATOM 1153 CA ASN C 77 2.847 6.238 6.627 1.00 0.00 C ATOM 1154 C ASN C 77 2.626 7.655 6.111 1.00 0.00 C ATOM 1155 O ASN C 77 1.884 8.424 6.721 1.00 0.00 O ATOM 1156 CB ASN C 77 3.632 6.197 7.935 1.00 0.00 C ATOM 1157 CG ASN C 77 3.426 4.873 8.654 1.00 0.00 C ATOM 1158 OD1 ASN C 77 2.224 4.320 8.520 1.00 0.00 O flip ATOM 1159 ND2 ASN C 77 4.319 4.363 9.332 1.00 0.00 N flip ATOM 0 H ASN C 77 4.440 5.231 5.705 1.00 0.00 H new ATOM 0 HA ASN C 77 1.854 5.848 6.850 1.00 0.00 H new ATOM 0 HB2 ASN C 77 4.693 6.343 7.731 1.00 0.00 H new ATOM 0 HB3 ASN C 77 3.315 7.018 8.579 1.00 0.00 H new ATOM 0 HD21 ASN C 77 5.227 4.822 9.408 1.00 0.00 H new ATOM 0 HD22 ASN C 77 4.151 3.482 9.818 1.00 0.00 H new ATOM 1166 N ASP C 78 3.247 8.007 4.990 1.00 0.00 N ATOM 1167 CA ASP C 78 2.833 9.213 4.275 1.00 0.00 C ATOM 1168 C ASP C 78 1.453 8.988 3.695 1.00 0.00 C ATOM 1169 O ASP C 78 0.600 9.871 3.734 1.00 0.00 O ATOM 1170 CB ASP C 78 3.796 9.586 3.154 1.00 0.00 C ATOM 1171 CG ASP C 78 4.964 10.427 3.636 1.00 0.00 C ATOM 1172 OD1 ASP C 78 5.408 10.244 4.792 1.00 0.00 O ATOM 1173 OD2 ASP C 78 5.449 11.280 2.860 1.00 0.00 O1- ATOM 0 H ASP C 78 4.018 7.492 4.564 1.00 0.00 H new ATOM 0 HA ASP C 78 2.829 10.038 4.987 1.00 0.00 H new ATOM 0 HB2 ASP C 78 4.177 8.676 2.691 1.00 0.00 H new ATOM 0 HB3 ASP C 78 3.254 10.134 2.383 1.00 0.00 H new ATOM 1178 N ILE C 79 1.238 7.777 3.177 1.00 0.00 N ATOM 1179 CA ILE C 79 -0.077 7.358 2.704 1.00 0.00 C ATOM 1180 C ILE C 79 -1.080 7.446 3.848 1.00 0.00 C ATOM 1181 O ILE C 79 -2.273 7.678 3.647 1.00 0.00 O ATOM 1182 CB ILE C 79 -0.057 5.905 2.168 1.00 0.00 C ATOM 1183 CG1 ILE C 79 1.006 5.746 1.079 1.00 0.00 C ATOM 1184 CG2 ILE C 79 -1.428 5.508 1.634 1.00 0.00 C ATOM 1185 CD1 ILE C 79 1.164 4.320 0.594 1.00 0.00 C ATOM 0 H ILE C 79 1.964 7.068 3.075 1.00 0.00 H new ATOM 0 HA ILE C 79 -0.364 8.022 1.888 1.00 0.00 H new ATOM 0 HB ILE C 79 0.195 5.242 2.996 1.00 0.00 H new ATOM 0 HG12 ILE C 79 0.747 6.383 0.233 1.00 0.00 H new ATOM 0 HG13 ILE C 79 1.963 6.099 1.462 1.00 0.00 H new ATOM 0 HG21 ILE C 79 -1.391 4.484 1.263 1.00 0.00 H new ATOM 0 HG22 ILE C 79 -2.164 5.577 2.435 1.00 0.00 H new ATOM 0 HG23 ILE C 79 -1.710 6.178 0.822 1.00 0.00 H new ATOM 0 HD11 ILE C 79 1.934 4.281 -0.177 1.00 0.00 H new ATOM 0 HD12 ILE C 79 1.454 3.682 1.429 1.00 0.00 H new ATOM 0 HD13 ILE C 79 0.218 3.969 0.181 1.00 0.00 H new ATOM 1197 N ASN C 80 -0.574 7.276 5.057 1.00 0.00 N ATOM 1198 CA ASN C 80 -1.404 7.350 6.241 1.00 0.00 C ATOM 1199 C ASN C 80 -1.763 8.779 6.569 1.00 0.00 C ATOM 1200 O ASN C 80 -2.872 9.048 7.015 1.00 0.00 O ATOM 1201 CB ASN C 80 -0.713 6.728 7.454 1.00 0.00 C ATOM 1202 CG ASN C 80 -0.610 5.220 7.404 1.00 0.00 C ATOM 1203 OD1 ASN C 80 -0.650 4.604 6.344 1.00 0.00 O ATOM 1204 ND2 ASN C 80 -0.425 4.620 8.565 1.00 0.00 N ATOM 0 H ASN C 80 0.411 7.085 5.242 1.00 0.00 H new ATOM 0 HA ASN C 80 -2.311 6.787 6.019 1.00 0.00 H new ATOM 0 HB2 ASN C 80 0.290 7.147 7.541 1.00 0.00 H new ATOM 0 HB3 ASN C 80 -1.257 7.014 8.354 1.00 0.00 H new ATOM 0 HD21 ASN C 80 -0.309 3.607 8.603 1.00 0.00 H new ATOM 0 HD22 ASN C 80 -0.398 5.169 9.424 1.00 0.00 H new ATOM 1211 N LYS C 81 -0.828 9.693 6.368 1.00 0.00 N ATOM 1212 CA LYS C 81 -1.097 11.103 6.598 1.00 0.00 C ATOM 1213 C LYS C 81 -2.322 11.517 5.796 1.00 0.00 C ATOM 1214 O LYS C 81 -3.197 12.223 6.283 1.00 0.00 O ATOM 1215 CB LYS C 81 0.112 11.958 6.205 1.00 0.00 C ATOM 1216 CG LYS C 81 1.399 11.603 6.944 1.00 0.00 C ATOM 1217 CD LYS C 81 1.526 12.306 8.294 1.00 0.00 C ATOM 1218 CE LYS C 81 0.433 11.901 9.273 1.00 0.00 C ATOM 1219 NZ LYS C 81 0.684 12.432 10.636 1.00 0.00 N1+ ATOM 0 H LYS C 81 0.118 9.486 6.048 1.00 0.00 H new ATOM 0 HA LYS C 81 -1.288 11.261 7.660 1.00 0.00 H new ATOM 0 HB2 LYS C 81 0.282 11.855 5.133 1.00 0.00 H new ATOM 0 HB3 LYS C 81 -0.123 13.006 6.391 1.00 0.00 H new ATOM 0 HG2 LYS C 81 1.438 10.525 7.097 1.00 0.00 H new ATOM 0 HG3 LYS C 81 2.254 11.867 6.321 1.00 0.00 H new ATOM 0 HD2 LYS C 81 2.499 12.077 8.728 1.00 0.00 H new ATOM 0 HD3 LYS C 81 1.490 13.385 8.142 1.00 0.00 H new ATOM 0 HE2 LYS C 81 -0.529 12.265 8.913 1.00 0.00 H new ATOM 0 HE3 LYS C 81 0.367 10.814 9.314 1.00 0.00 H new ATOM 0 HZ1 LYS C 81 -0.083 12.134 11.272 1.00 0.00 H new ATOM 0 HZ2 LYS C 81 1.590 12.064 10.990 1.00 0.00 H new ATOM 0 HZ3 LYS C 81 0.721 13.471 10.602 1.00 0.00 H new ATOM 1233 N LEU C 82 -2.392 11.003 4.579 1.00 0.00 N ATOM 1234 CA LEU C 82 -3.504 11.266 3.677 1.00 0.00 C ATOM 1235 C LEU C 82 -4.832 10.879 4.329 1.00 0.00 C ATOM 1236 O LEU C 82 -5.841 11.564 4.143 1.00 0.00 O ATOM 1237 CB LEU C 82 -3.328 10.444 2.395 1.00 0.00 C ATOM 1238 CG LEU C 82 -1.878 10.202 1.952 1.00 0.00 C ATOM 1239 CD1 LEU C 82 -1.857 9.386 0.668 1.00 0.00 C ATOM 1240 CD2 LEU C 82 -1.145 11.521 1.746 1.00 0.00 C ATOM 0 H LEU C 82 -1.678 10.390 4.187 1.00 0.00 H new ATOM 0 HA LEU C 82 -3.515 12.331 3.447 1.00 0.00 H new ATOM 0 HB2 LEU C 82 -3.811 9.477 2.536 1.00 0.00 H new ATOM 0 HB3 LEU C 82 -3.856 10.949 1.586 1.00 0.00 H new ATOM 0 HG LEU C 82 -1.366 9.647 2.738 1.00 0.00 H new ATOM 0 HD11 LEU C 82 -0.825 9.219 0.360 1.00 0.00 H new ATOM 0 HD12 LEU C 82 -2.345 8.426 0.839 1.00 0.00 H new ATOM 0 HD13 LEU C 82 -2.386 9.928 -0.116 1.00 0.00 H new ATOM 0 HD21 LEU C 82 -0.120 11.323 1.433 1.00 0.00 H new ATOM 0 HD22 LEU C 82 -1.653 12.103 0.978 1.00 0.00 H new ATOM 0 HD23 LEU C 82 -1.136 12.082 2.680 1.00 0.00 H new ATOM 1252 N ASN C 83 -4.787 9.812 5.132 1.00 0.00 N ATOM 1253 CA ASN C 83 -5.989 9.146 5.657 1.00 0.00 C ATOM 1254 C ASN C 83 -7.086 9.108 4.603 1.00 0.00 C ATOM 1255 O ASN C 83 -8.017 9.913 4.615 1.00 0.00 O ATOM 1256 CB ASN C 83 -6.470 9.789 6.960 1.00 0.00 C ATOM 1257 CG ASN C 83 -6.176 8.913 8.175 1.00 0.00 C ATOM 1258 OD1 ASN C 83 -6.909 8.938 9.164 1.00 0.00 O ATOM 1259 ND2 ASN C 83 -5.099 8.131 8.112 1.00 0.00 N ATOM 0 H ASN C 83 -3.914 9.382 5.439 1.00 0.00 H new ATOM 0 HA ASN C 83 -5.724 8.116 5.898 1.00 0.00 H new ATOM 0 HB2 ASN C 83 -5.986 10.757 7.086 1.00 0.00 H new ATOM 0 HB3 ASN C 83 -7.542 9.974 6.898 1.00 0.00 H new ATOM 0 HD21 ASN C 83 -4.860 7.528 8.899 1.00 0.00 H new ATOM 0 HD22 ASN C 83 -4.514 8.135 7.277 1.00 0.00 H new ATOM 1266 N ILE C 84 -6.958 8.151 3.699 1.00 0.00 N ATOM 1267 CA ILE C 84 -7.746 8.112 2.477 1.00 0.00 C ATOM 1268 C ILE C 84 -9.235 7.971 2.727 1.00 0.00 C ATOM 1269 O ILE C 84 -9.683 7.100 3.467 1.00 0.00 O ATOM 1270 CB ILE C 84 -7.294 6.957 1.571 1.00 0.00 C ATOM 1271 CG1 ILE C 84 -5.777 6.958 1.473 1.00 0.00 C ATOM 1272 CG2 ILE C 84 -7.924 7.075 0.188 1.00 0.00 C ATOM 1273 CD1 ILE C 84 -5.233 5.889 0.550 1.00 0.00 C ATOM 0 H ILE C 84 -6.302 7.376 3.792 1.00 0.00 H new ATOM 0 HA ILE C 84 -7.575 9.072 1.990 1.00 0.00 H new ATOM 0 HB ILE C 84 -7.624 6.013 2.005 1.00 0.00 H new ATOM 0 HG12 ILE C 84 -5.444 7.935 1.122 1.00 0.00 H new ATOM 0 HG13 ILE C 84 -5.356 6.817 2.468 1.00 0.00 H new ATOM 0 HG21 ILE C 84 -7.589 6.246 -0.436 1.00 0.00 H new ATOM 0 HG22 ILE C 84 -9.010 7.045 0.279 1.00 0.00 H new ATOM 0 HG23 ILE C 84 -7.624 8.018 -0.269 1.00 0.00 H new ATOM 0 HD11 ILE C 84 -4.145 5.947 0.527 1.00 0.00 H new ATOM 0 HD12 ILE C 84 -5.536 4.907 0.912 1.00 0.00 H new ATOM 0 HD13 ILE C 84 -5.625 6.042 -0.455 1.00 0.00 H new ATOM 1285 N LYS C 85 -9.986 8.829 2.064 1.00 0.00 N ATOM 1286 CA LYS C 85 -11.444 8.768 2.050 1.00 0.00 C ATOM 1287 C LYS C 85 -11.902 7.739 1.017 1.00 0.00 C ATOM 1288 O LYS C 85 -12.848 7.965 0.260 1.00 0.00 O ATOM 1289 CB LYS C 85 -12.002 10.150 1.704 1.00 0.00 C ATOM 1290 CG LYS C 85 -11.382 10.738 0.428 1.00 0.00 C ATOM 1291 CD LYS C 85 -10.536 11.961 0.738 1.00 0.00 C ATOM 1292 CE LYS C 85 -9.606 12.304 -0.417 1.00 0.00 C ATOM 1293 NZ LYS C 85 -10.346 12.571 -1.679 1.00 0.00 N1+ ATOM 0 H LYS C 85 -9.603 9.597 1.513 1.00 0.00 H new ATOM 0 HA LYS C 85 -11.812 8.469 3.031 1.00 0.00 H new ATOM 0 HB2 LYS C 85 -13.083 10.080 1.579 1.00 0.00 H new ATOM 0 HB3 LYS C 85 -11.821 10.829 2.537 1.00 0.00 H new ATOM 0 HG2 LYS C 85 -10.767 9.983 -0.062 1.00 0.00 H new ATOM 0 HG3 LYS C 85 -12.173 11.008 -0.272 1.00 0.00 H new ATOM 0 HD2 LYS C 85 -11.186 12.811 0.948 1.00 0.00 H new ATOM 0 HD3 LYS C 85 -9.948 11.780 1.638 1.00 0.00 H new ATOM 0 HE2 LYS C 85 -9.012 13.180 -0.155 1.00 0.00 H new ATOM 0 HE3 LYS C 85 -8.908 11.482 -0.575 1.00 0.00 H new ATOM 0 HZ1 LYS C 85 -9.687 12.930 -2.399 1.00 0.00 H new ATOM 0 HZ2 LYS C 85 -10.783 11.690 -2.018 1.00 0.00 H new ATOM 0 HZ3 LYS C 85 -11.087 13.279 -1.504 1.00 0.00 H new ATOM 1307 N GLY C 86 -11.226 6.602 1.004 1.00 0.00 N ATOM 1308 CA GLY C 86 -11.414 5.639 -0.052 1.00 0.00 C ATOM 1309 C GLY C 86 -12.207 4.428 0.384 1.00 0.00 C ATOM 1310 O GLY C 86 -11.998 3.906 1.480 1.00 0.00 O ATOM 0 H GLY C 86 -10.546 6.330 1.713 1.00 0.00 H new ATOM 0 HA2 GLY C 86 -11.925 6.119 -0.887 1.00 0.00 H new ATOM 0 HA3 GLY C 86 -10.440 5.315 -0.418 1.00 0.00 H new ATOM 1314 N PRO C 87 -13.131 3.956 -0.458 1.00 0.00 N ATOM 1315 CA PRO C 87 -13.880 2.726 -0.203 1.00 0.00 C ATOM 1316 C PRO C 87 -13.073 1.491 -0.591 1.00 0.00 C ATOM 1317 O PRO C 87 -12.997 0.518 0.160 1.00 0.00 O ATOM 1318 CB PRO C 87 -15.089 2.881 -1.118 1.00 0.00 C ATOM 1319 CG PRO C 87 -14.555 3.635 -2.283 1.00 0.00 C ATOM 1320 CD PRO C 87 -13.555 4.607 -1.716 1.00 0.00 C ATOM 0 HA PRO C 87 -14.133 2.590 0.848 1.00 0.00 H new ATOM 0 HB2 PRO C 87 -15.491 1.913 -1.418 1.00 0.00 H new ATOM 0 HB3 PRO C 87 -15.897 3.423 -0.626 1.00 0.00 H new ATOM 0 HG2 PRO C 87 -14.084 2.964 -3.001 1.00 0.00 H new ATOM 0 HG3 PRO C 87 -15.353 4.157 -2.810 1.00 0.00 H new ATOM 0 HD2 PRO C 87 -12.715 4.762 -2.393 1.00 0.00 H new ATOM 0 HD3 PRO C 87 -14.002 5.584 -1.534 1.00 0.00 H new ATOM 1328 N TYR C 88 -12.452 1.556 -1.761 1.00 0.00 N ATOM 1329 CA TYR C 88 -11.631 0.480 -2.265 1.00 0.00 C ATOM 1330 C TYR C 88 -10.403 1.071 -2.938 1.00 0.00 C ATOM 1331 O TYR C 88 -10.522 1.904 -3.840 1.00 0.00 O ATOM 1332 CB TYR C 88 -12.433 -0.396 -3.235 1.00 0.00 C ATOM 1333 CG TYR C 88 -11.614 -1.445 -3.957 1.00 0.00 C ATOM 1334 CD1 TYR C 88 -11.229 -2.621 -3.323 1.00 0.00 C ATOM 1335 CD2 TYR C 88 -11.234 -1.260 -5.280 1.00 0.00 C ATOM 1336 CE1 TYR C 88 -10.490 -3.579 -3.986 1.00 0.00 C ATOM 1337 CE2 TYR C 88 -10.495 -2.215 -5.949 1.00 0.00 C ATOM 1338 CZ TYR C 88 -10.125 -3.371 -5.297 1.00 0.00 C ATOM 1339 OH TYR C 88 -9.387 -4.320 -5.962 1.00 0.00 O ATOM 0 H TYR C 88 -12.508 2.362 -2.384 1.00 0.00 H new ATOM 0 HA TYR C 88 -11.310 -0.158 -1.442 1.00 0.00 H new ATOM 0 HB2 TYR C 88 -13.230 -0.893 -2.682 1.00 0.00 H new ATOM 0 HB3 TYR C 88 -12.911 0.246 -3.975 1.00 0.00 H new ATOM 0 HD1 TYR C 88 -11.513 -2.787 -2.294 1.00 0.00 H new ATOM 0 HD2 TYR C 88 -11.521 -0.354 -5.794 1.00 0.00 H new ATOM 0 HE1 TYR C 88 -10.199 -4.487 -3.479 1.00 0.00 H new ATOM 0 HE2 TYR C 88 -10.208 -2.057 -6.978 1.00 0.00 H new ATOM 0 HH TYR C 88 -8.559 -3.916 -6.295 1.00 0.00 H new ATOM 1349 N ILE C 89 -9.228 0.670 -2.481 1.00 0.00 N ATOM 1350 CA ILE C 89 -7.993 1.256 -2.968 1.00 0.00 C ATOM 1351 C ILE C 89 -7.129 0.221 -3.673 1.00 0.00 C ATOM 1352 O ILE C 89 -6.940 -0.894 -3.187 1.00 0.00 O ATOM 1353 CB ILE C 89 -7.177 1.930 -1.835 1.00 0.00 C ATOM 1354 CG1 ILE C 89 -7.948 3.106 -1.235 1.00 0.00 C ATOM 1355 CG2 ILE C 89 -5.833 2.411 -2.350 1.00 0.00 C ATOM 1356 CD1 ILE C 89 -8.906 2.719 -0.132 1.00 0.00 C ATOM 0 H ILE C 89 -9.105 -0.057 -1.776 1.00 0.00 H new ATOM 0 HA ILE C 89 -8.281 2.026 -3.683 1.00 0.00 H new ATOM 0 HB ILE C 89 -7.011 1.183 -1.058 1.00 0.00 H new ATOM 0 HG12 ILE C 89 -7.235 3.832 -0.844 1.00 0.00 H new ATOM 0 HG13 ILE C 89 -8.506 3.603 -2.028 1.00 0.00 H new ATOM 0 HG21 ILE C 89 -5.279 2.880 -1.537 1.00 0.00 H new ATOM 0 HG22 ILE C 89 -5.266 1.563 -2.734 1.00 0.00 H new ATOM 0 HG23 ILE C 89 -5.988 3.136 -3.149 1.00 0.00 H new ATOM 0 HD11 ILE C 89 -9.412 3.610 0.239 1.00 0.00 H new ATOM 0 HD12 ILE C 89 -9.644 2.017 -0.521 1.00 0.00 H new ATOM 0 HD13 ILE C 89 -8.353 2.250 0.682 1.00 0.00 H new ATOM 1368 N GLU C 90 -6.623 0.610 -4.827 1.00 0.00 N ATOM 1369 CA GLU C 90 -5.733 -0.220 -5.609 1.00 0.00 C ATOM 1370 C GLU C 90 -4.287 0.076 -5.257 1.00 0.00 C ATOM 1371 O GLU C 90 -3.741 1.104 -5.650 1.00 0.00 O ATOM 1372 CB GLU C 90 -5.971 0.053 -7.083 1.00 0.00 C ATOM 1373 CG GLU C 90 -7.292 -0.499 -7.586 1.00 0.00 C ATOM 1374 CD GLU C 90 -7.253 -2.003 -7.765 1.00 0.00 C ATOM 1375 OE1 GLU C 90 -7.069 -2.461 -8.911 1.00 0.00 O ATOM 1376 OE2 GLU C 90 -7.375 -2.738 -6.764 1.00 0.00 O1- ATOM 0 H GLU C 90 -6.820 1.517 -5.250 1.00 0.00 H new ATOM 0 HA GLU C 90 -5.933 -1.269 -5.390 1.00 0.00 H new ATOM 0 HB2 GLU C 90 -5.944 1.129 -7.256 1.00 0.00 H new ATOM 0 HB3 GLU C 90 -5.158 -0.383 -7.663 1.00 0.00 H new ATOM 0 HG2 GLU C 90 -8.084 -0.239 -6.883 1.00 0.00 H new ATOM 0 HG3 GLU C 90 -7.542 -0.028 -8.537 1.00 0.00 H new ATOM 1383 N ILE C 91 -3.675 -0.814 -4.505 1.00 0.00 N ATOM 1384 CA ILE C 91 -2.288 -0.651 -4.121 1.00 0.00 C ATOM 1385 C ILE C 91 -1.439 -1.733 -4.793 1.00 0.00 C ATOM 1386 O ILE C 91 -1.427 -2.887 -4.363 1.00 0.00 O ATOM 1387 CB ILE C 91 -2.135 -0.683 -2.575 1.00 0.00 C ATOM 1388 CG1 ILE C 91 -3.065 0.356 -1.935 1.00 0.00 C ATOM 1389 CG2 ILE C 91 -0.701 -0.423 -2.152 1.00 0.00 C ATOM 1390 CD1 ILE C 91 -2.625 0.815 -0.557 1.00 0.00 C ATOM 0 H ILE C 91 -4.117 -1.660 -4.146 1.00 0.00 H new ATOM 0 HA ILE C 91 -1.935 0.323 -4.458 1.00 0.00 H new ATOM 0 HB ILE C 91 -2.411 -1.680 -2.232 1.00 0.00 H new ATOM 0 HG12 ILE C 91 -3.130 1.223 -2.592 1.00 0.00 H new ATOM 0 HG13 ILE C 91 -4.068 -0.065 -1.863 1.00 0.00 H new ATOM 0 HG21 ILE C 91 -0.631 -0.453 -1.065 1.00 0.00 H new ATOM 0 HG22 ILE C 91 -0.052 -1.188 -2.578 1.00 0.00 H new ATOM 0 HG23 ILE C 91 -0.389 0.558 -2.509 1.00 0.00 H new ATOM 0 HD11 ILE C 91 -3.335 1.548 -0.174 1.00 0.00 H new ATOM 0 HD12 ILE C 91 -2.588 -0.041 0.117 1.00 0.00 H new ATOM 0 HD13 ILE C 91 -1.636 1.268 -0.623 1.00 0.00 H new ATOM 1402 N LYS C 92 -0.756 -1.355 -5.876 1.00 0.00 N ATOM 1403 CA LYS C 92 0.052 -2.290 -6.664 1.00 0.00 C ATOM 1404 C LYS C 92 1.108 -1.520 -7.441 1.00 0.00 C ATOM 1405 O LYS C 92 1.081 -0.293 -7.481 1.00 0.00 O ATOM 1406 CB LYS C 92 -0.808 -3.098 -7.648 1.00 0.00 C ATOM 1407 CG LYS C 92 -1.476 -2.260 -8.734 1.00 0.00 C ATOM 1408 CD LYS C 92 -2.756 -1.611 -8.237 1.00 0.00 C ATOM 1409 CE LYS C 92 -3.856 -2.641 -8.031 1.00 0.00 C ATOM 1410 NZ LYS C 92 -4.367 -3.177 -9.319 1.00 0.00 N1+ ATOM 0 H LYS C 92 -0.747 -0.399 -6.230 1.00 0.00 H new ATOM 0 HA LYS C 92 0.522 -2.988 -5.971 1.00 0.00 H new ATOM 0 HB2 LYS C 92 -0.183 -3.854 -8.122 1.00 0.00 H new ATOM 0 HB3 LYS C 92 -1.579 -3.627 -7.088 1.00 0.00 H new ATOM 0 HG2 LYS C 92 -0.785 -1.488 -9.074 1.00 0.00 H new ATOM 0 HG3 LYS C 92 -1.698 -2.891 -9.595 1.00 0.00 H new ATOM 0 HD2 LYS C 92 -2.562 -1.091 -7.299 1.00 0.00 H new ATOM 0 HD3 LYS C 92 -3.088 -0.861 -8.955 1.00 0.00 H new ATOM 0 HE2 LYS C 92 -3.475 -3.461 -7.423 1.00 0.00 H new ATOM 0 HE3 LYS C 92 -4.677 -2.188 -7.476 1.00 0.00 H new ATOM 0 HZ1 LYS C 92 -5.390 -3.002 -9.387 1.00 0.00 H new ATOM 0 HZ2 LYS C 92 -3.882 -2.705 -10.108 1.00 0.00 H new ATOM 0 HZ3 LYS C 92 -4.188 -4.200 -9.365 1.00 0.00 H new ATOM 1424 N GLN C 93 2.031 -2.230 -8.066 1.00 0.00 N ATOM 1425 CA GLN C 93 3.083 -1.571 -8.817 1.00 0.00 C ATOM 1426 C GLN C 93 2.711 -1.447 -10.287 1.00 0.00 C ATOM 1427 O GLN C 93 1.760 -2.073 -10.756 1.00 0.00 O ATOM 1428 CB GLN C 93 4.422 -2.289 -8.623 1.00 0.00 C ATOM 1429 CG GLN C 93 4.469 -3.713 -9.162 1.00 0.00 C ATOM 1430 CD GLN C 93 4.856 -3.780 -10.630 1.00 0.00 C ATOM 1431 OE1 GLN C 93 5.708 -2.863 -11.065 1.00 0.00 O flip ATOM 1432 NE2 GLN C 93 4.408 -4.659 -11.364 1.00 0.00 N flip ATOM 0 H GLN C 93 2.074 -3.249 -8.069 1.00 0.00 H new ATOM 0 HA GLN C 93 3.198 -0.559 -8.430 1.00 0.00 H new ATOM 0 HB2 GLN C 93 5.204 -1.706 -9.109 1.00 0.00 H new ATOM 0 HB3 GLN C 93 4.655 -2.311 -7.558 1.00 0.00 H new ATOM 0 HG2 GLN C 93 5.182 -4.294 -8.577 1.00 0.00 H new ATOM 0 HG3 GLN C 93 3.493 -4.179 -9.028 1.00 0.00 H new ATOM 0 HE21 GLN C 93 3.754 -5.348 -10.994 1.00 0.00 H new ATOM 0 HE22 GLN C 93 4.691 -4.699 -12.343 1.00 0.00 H new ATOM 1441 N ILE C 94 3.474 -0.641 -11.004 1.00 0.00 N ATOM 1442 CA ILE C 94 3.151 -0.266 -12.367 1.00 0.00 C ATOM 1443 C ILE C 94 4.376 -0.344 -13.273 1.00 0.00 C ATOM 1444 O ILE C 94 4.905 -1.457 -13.466 1.00 0.00 O ATOM 1445 CB ILE C 94 2.579 1.167 -12.395 1.00 0.00 C ATOM 1446 CG1 ILE C 94 3.343 2.054 -11.395 1.00 0.00 C ATOM 1447 CG2 ILE C 94 1.098 1.154 -12.095 1.00 0.00 C ATOM 1448 CD1 ILE C 94 2.479 2.991 -10.576 1.00 0.00 C ATOM 1449 OXT ILE C 94 4.783 0.699 -13.823 1.00 0.00 O ATOM 0 H ILE C 94 4.338 -0.227 -10.655 1.00 0.00 H new ATOM 0 HA ILE C 94 2.406 -0.969 -12.740 1.00 0.00 H new ATOM 0 HB ILE C 94 2.710 1.583 -13.394 1.00 0.00 H new ATOM 0 HG12 ILE C 94 3.900 1.410 -10.714 1.00 0.00 H new ATOM 0 HG13 ILE C 94 4.075 2.646 -11.944 1.00 0.00 H new ATOM 0 HG21 ILE C 94 0.713 2.173 -12.119 1.00 0.00 H new ATOM 0 HG22 ILE C 94 0.581 0.553 -12.843 1.00 0.00 H new ATOM 0 HG23 ILE C 94 0.931 0.726 -11.106 1.00 0.00 H new ATOM 0 HD11 ILE C 94 3.109 3.572 -9.903 1.00 0.00 H new ATOM 0 HD12 ILE C 94 1.941 3.666 -11.242 1.00 0.00 H new ATOM 0 HD13 ILE C 94 1.764 2.410 -9.993 1.00 0.00 H new TER 1461 ILE C 94