USER MOD reduce.3.24.130724 H: found=0, std=0, add=730, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 728 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: C 77 ASN :FLIP amide:sc= 0.579 F(o=-19!,f=-3.8) USER MOD Set 1.2: C 80 ASN : amide:sc= -4.37! C(o=-3.8!,f=-15!) USER MOD Set 2.1: C 71 THR OG1 : rot -126:sc= 0.876 USER MOD Set 2.2: C 74 ASN : amide:sc= 0.975 X(o=1.9,f=1.7) USER MOD Set 3.1: C 32 ASN : amide:sc= 0.257 K(o=-2.2,f=-3.1) USER MOD Set 3.2: C 35 GLN : amide:sc= -2.45! C(o=-2.2!,f=-3.7!) USER MOD Set 4.1: C 26 LYS NZ :NH3+ -116:sc= 1.28 (180deg=-0.304) USER MOD Set 4.2: C 42 ASN : amide:sc= -0.244 K(o=1,f=-2.1) USER MOD Set 5.1: C 21 ASN : amide:sc= 0.604 K(o=0.6,f=0) USER MOD Set 5.2: C 28 SER OG : rot 180:sc= 0 USER MOD Set 6.1: C 11 ASN :FLIP amide:sc= -0.102 F(o=-2.1,f=-1.4) USER MOD Set 6.2: C 14 ASN : amide:sc= -1.34 K(o=-1.4,f=-3!) USER MOD Single : C 1 ASP N :NH3+ 159:sc= 0.00667 (180deg=0) USER MOD Single : C 2 ASN : amide:sc= 0 X(o=0,f=-0.067) USER MOD Single : C 3 GLN : amide:sc= -0.755 K(o=-0.75,f=-8.2!) USER MOD Single : C 4 LYS NZ :NH3+ 151:sc= 1.06 (180deg=0.372) USER MOD Single : C 9 GLN : amide:sc= -1.11 K(o=-1.1,f=-13!) USER MOD Single : C 10 MET CE :methyl -171:sc= -1.96 (180deg=-2.15) USER MOD Single : C 12 SER OG : rot -146:sc= 1.15 USER MOD Single : C 15 SER OG : rot 180:sc= 0 USER MOD Single : C 17 ASN : amide:sc= -0.645 K(o=-0.64,f=-4.9!) USER MOD Single : C 19 LYS NZ :NH3+ 153:sc= 1.23 (180deg=0.968) USER MOD Single : C 22 LYS NZ :NH3+ 157:sc= -2.81! (180deg=-3.53!) USER MOD Single : C 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 30 SER OG : rot 180:sc= 0 USER MOD Single : C 31 MET CE :methyl 157:sc= -0.0152 (180deg=-1.05) USER MOD Single : C 34 ASN : amide:sc= -0.762! X(o=-0.76!,f=-0.7) USER MOD Single : C 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 39 THR OG1 : rot 180:sc= 0 USER MOD Single : C 40 SER OG : rot 31:sc= -0.906 USER MOD Single : C 41 SER OG : rot 180:sc= 0 USER MOD Single : C 45 TYR OH : rot 180:sc= 0 USER MOD Single : C 48 SER OG : rot 180:sc= 0 USER MOD Single : C 49 TYR OH : rot 180:sc= 0 USER MOD Single : C 52 LYS NZ :NH3+ 146:sc= 1.07 (180deg=0.359) USER MOD Single : C 53 ASN :FLIP amide:sc= -0.566 F(o=-3.9!,f=-0.57) USER MOD Single : C 59 ASN :FLIP amide:sc= -0.193 F(o=-3.7!,f=-0.19) USER MOD Single : C 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 64 TYR OH : rot 180:sc= 0 USER MOD Single : C 65 THR OG1 : rot -90:sc= -2.05! USER MOD Single : C 67 ASN : amide:sc= 0.017 X(o=0.017,f=0) USER MOD Single : C 69 LYS NZ :NH3+ -162:sc= -0.0402 (180deg=-0.305) USER MOD Single : C 70 SER OG : rot 89:sc= 0.0155 USER MOD Single : C 76 SER OG : rot -65:sc= 0.51 USER MOD Single : C 81 LYS NZ :NH3+ 164:sc= 1.24 (180deg=1.1) USER MOD Single : C 83 ASN : amide:sc= -0.514 X(o=-0.51,f=-0.16) USER MOD Single : C 85 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0128) USER MOD Single : C 88 TYR OH : rot 180:sc= 0 USER MOD Single : C 92 LYS NZ :NH3+ -172:sc= 1.08 (180deg=1.01) USER MOD Single : C 93 GLN :FLIP amide:sc= -0.223 F(o=-1.8!,f=-0.22) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP C 1 -16.671 -12.048 1.353 1.00 0.00 N ATOM 2 CA ASP C 1 -17.022 -11.522 0.011 1.00 0.00 C ATOM 3 C ASP C 1 -18.152 -10.499 0.087 1.00 0.00 C ATOM 4 O ASP C 1 -19.084 -10.539 -0.713 1.00 0.00 O ATOM 5 CB ASP C 1 -17.437 -12.664 -0.924 1.00 0.00 C ATOM 6 CG ASP C 1 -16.260 -13.444 -1.472 1.00 0.00 C ATOM 7 OD1 ASP C 1 -15.590 -14.155 -0.692 1.00 0.00 O ATOM 8 OD2 ASP C 1 -16.004 -13.365 -2.693 1.00 0.00 O1- ATOM 0 H1 ASP C 1 -16.182 -12.960 1.251 1.00 0.00 H new ATOM 0 H2 ASP C 1 -16.047 -11.372 1.838 1.00 0.00 H new ATOM 0 H3 ASP C 1 -17.538 -12.181 1.911 1.00 0.00 H new ATOM 0 HA ASP C 1 -16.133 -11.030 -0.384 1.00 0.00 H new ATOM 0 HB2 ASP C 1 -18.096 -13.345 -0.385 1.00 0.00 H new ATOM 0 HB3 ASP C 1 -18.012 -12.254 -1.755 1.00 0.00 H new ATOM 13 N ASN C 2 -18.074 -9.581 1.042 1.00 0.00 N ATOM 14 CA ASN C 2 -19.081 -8.527 1.162 1.00 0.00 C ATOM 15 C ASN C 2 -18.577 -7.244 0.514 1.00 0.00 C ATOM 16 O ASN C 2 -19.361 -6.386 0.119 1.00 0.00 O ATOM 17 CB ASN C 2 -19.466 -8.270 2.627 1.00 0.00 C ATOM 18 CG ASN C 2 -18.350 -7.645 3.446 1.00 0.00 C ATOM 19 OD1 ASN C 2 -18.203 -6.422 3.491 1.00 0.00 O ATOM 20 ND2 ASN C 2 -17.570 -8.475 4.115 1.00 0.00 N ATOM 0 H ASN C 2 -17.332 -9.542 1.741 1.00 0.00 H new ATOM 0 HA ASN C 2 -19.978 -8.864 0.642 1.00 0.00 H new ATOM 0 HB2 ASN C 2 -20.337 -7.616 2.656 1.00 0.00 H new ATOM 0 HB3 ASN C 2 -19.760 -9.213 3.088 1.00 0.00 H new ATOM 0 HD21 ASN C 2 -16.814 -8.109 4.694 1.00 0.00 H new ATOM 0 HD22 ASN C 2 -17.723 -9.481 4.052 1.00 0.00 H new ATOM 27 N GLN C 3 -17.260 -7.120 0.406 1.00 0.00 N ATOM 28 CA GLN C 3 -16.655 -6.024 -0.342 1.00 0.00 C ATOM 29 C GLN C 3 -16.446 -6.437 -1.788 1.00 0.00 C ATOM 30 O GLN C 3 -15.670 -5.833 -2.527 1.00 0.00 O ATOM 31 CB GLN C 3 -15.323 -5.614 0.270 1.00 0.00 C ATOM 32 CG GLN C 3 -15.452 -4.612 1.400 1.00 0.00 C ATOM 33 CD GLN C 3 -16.249 -3.391 0.992 1.00 0.00 C ATOM 34 OE1 GLN C 3 -16.266 -3.018 -0.177 1.00 0.00 O ATOM 35 NE2 GLN C 3 -16.904 -2.759 1.948 1.00 0.00 N ATOM 0 H GLN C 3 -16.590 -7.764 0.827 1.00 0.00 H new ATOM 0 HA GLN C 3 -17.332 -5.170 -0.300 1.00 0.00 H new ATOM 0 HB2 GLN C 3 -14.815 -6.504 0.642 1.00 0.00 H new ATOM 0 HB3 GLN C 3 -14.691 -5.189 -0.510 1.00 0.00 H new ATOM 0 HG2 GLN C 3 -15.933 -5.089 2.254 1.00 0.00 H new ATOM 0 HG3 GLN C 3 -14.458 -4.304 1.725 1.00 0.00 H new ATOM 0 HE21 GLN C 3 -16.863 -3.103 2.907 1.00 0.00 H new ATOM 0 HE22 GLN C 3 -17.451 -1.927 1.727 1.00 0.00 H new ATOM 44 N LYS C 4 -17.158 -7.474 -2.171 1.00 0.00 N ATOM 45 CA LYS C 4 -17.019 -8.079 -3.478 1.00 0.00 C ATOM 46 C LYS C 4 -17.581 -7.167 -4.560 1.00 0.00 C ATOM 47 O LYS C 4 -16.859 -6.728 -5.452 1.00 0.00 O ATOM 48 CB LYS C 4 -17.733 -9.429 -3.486 1.00 0.00 C ATOM 49 CG LYS C 4 -17.449 -10.269 -4.716 1.00 0.00 C ATOM 50 CD LYS C 4 -18.211 -11.580 -4.670 1.00 0.00 C ATOM 51 CE LYS C 4 -17.654 -12.580 -5.666 1.00 0.00 C ATOM 52 NZ LYS C 4 -16.222 -12.873 -5.403 1.00 0.00 N1+ ATOM 0 H LYS C 4 -17.856 -7.925 -1.579 1.00 0.00 H new ATOM 0 HA LYS C 4 -15.961 -8.230 -3.691 1.00 0.00 H new ATOM 0 HB2 LYS C 4 -17.438 -9.990 -2.599 1.00 0.00 H new ATOM 0 HB3 LYS C 4 -18.807 -9.261 -3.414 1.00 0.00 H new ATOM 0 HG2 LYS C 4 -17.728 -9.714 -5.612 1.00 0.00 H new ATOM 0 HG3 LYS C 4 -16.380 -10.469 -4.785 1.00 0.00 H new ATOM 0 HD2 LYS C 4 -18.158 -11.998 -3.665 1.00 0.00 H new ATOM 0 HD3 LYS C 4 -19.264 -11.398 -4.885 1.00 0.00 H new ATOM 0 HE2 LYS C 4 -18.230 -13.504 -5.616 1.00 0.00 H new ATOM 0 HE3 LYS C 4 -17.766 -12.189 -6.677 1.00 0.00 H new ATOM 0 HZ1 LYS C 4 -16.002 -13.839 -5.719 1.00 0.00 H new ATOM 0 HZ2 LYS C 4 -15.628 -12.195 -5.922 1.00 0.00 H new ATOM 0 HZ3 LYS C 4 -16.032 -12.790 -4.384 1.00 0.00 H new ATOM 66 N ALA C 5 -18.865 -6.866 -4.459 1.00 0.00 N ATOM 67 CA ALA C 5 -19.529 -6.020 -5.436 1.00 0.00 C ATOM 68 C ALA C 5 -19.435 -4.554 -5.036 1.00 0.00 C ATOM 69 O ALA C 5 -19.848 -3.667 -5.783 1.00 0.00 O ATOM 70 CB ALA C 5 -20.983 -6.437 -5.584 1.00 0.00 C ATOM 0 H ALA C 5 -19.470 -7.196 -3.707 1.00 0.00 H new ATOM 0 HA ALA C 5 -19.027 -6.142 -6.396 1.00 0.00 H new ATOM 0 HB1 ALA C 5 -21.472 -5.797 -6.318 1.00 0.00 H new ATOM 0 HB2 ALA C 5 -21.032 -7.474 -5.916 1.00 0.00 H new ATOM 0 HB3 ALA C 5 -21.489 -6.340 -4.624 1.00 0.00 H new ATOM 76 N LEU C 6 -18.900 -4.305 -3.849 1.00 0.00 N ATOM 77 CA LEU C 6 -18.785 -2.947 -3.347 1.00 0.00 C ATOM 78 C LEU C 6 -17.445 -2.319 -3.727 1.00 0.00 C ATOM 79 O LEU C 6 -17.273 -1.851 -4.858 1.00 0.00 O ATOM 80 CB LEU C 6 -19.003 -2.912 -1.833 1.00 0.00 C ATOM 81 CG LEU C 6 -20.369 -3.427 -1.372 1.00 0.00 C ATOM 82 CD1 LEU C 6 -20.514 -3.296 0.134 1.00 0.00 C ATOM 83 CD2 LEU C 6 -21.491 -2.682 -2.084 1.00 0.00 C ATOM 0 H LEU C 6 -18.541 -5.023 -3.220 1.00 0.00 H new ATOM 0 HA LEU C 6 -19.566 -2.350 -3.818 1.00 0.00 H new ATOM 0 HB2 LEU C 6 -18.225 -3.506 -1.354 1.00 0.00 H new ATOM 0 HB3 LEU C 6 -18.880 -1.886 -1.485 1.00 0.00 H new ATOM 0 HG LEU C 6 -20.439 -4.484 -1.631 1.00 0.00 H new ATOM 0 HD11 LEU C 6 -21.492 -3.668 0.439 1.00 0.00 H new ATOM 0 HD12 LEU C 6 -19.735 -3.878 0.627 1.00 0.00 H new ATOM 0 HD13 LEU C 6 -20.419 -2.248 0.419 1.00 0.00 H new ATOM 0 HD21 LEU C 6 -22.454 -3.062 -1.743 1.00 0.00 H new ATOM 0 HD22 LEU C 6 -21.421 -1.618 -1.859 1.00 0.00 H new ATOM 0 HD23 LEU C 6 -21.402 -2.832 -3.160 1.00 0.00 H new ATOM 95 N GLU C 7 -16.488 -2.311 -2.804 1.00 0.00 N ATOM 96 CA GLU C 7 -15.223 -1.644 -3.057 1.00 0.00 C ATOM 97 C GLU C 7 -14.117 -2.624 -3.455 1.00 0.00 C ATOM 98 O GLU C 7 -14.070 -3.037 -4.614 1.00 0.00 O ATOM 99 CB GLU C 7 -14.795 -0.801 -1.855 1.00 0.00 C ATOM 100 CG GLU C 7 -15.596 0.482 -1.670 1.00 0.00 C ATOM 101 CD GLU C 7 -17.025 0.259 -1.223 1.00 0.00 C ATOM 102 OE1 GLU C 7 -17.229 -0.111 -0.052 1.00 0.00 O ATOM 103 OE2 GLU C 7 -17.951 0.493 -2.032 1.00 0.00 O1- ATOM 0 H GLU C 7 -16.565 -2.753 -1.888 1.00 0.00 H new ATOM 0 HA GLU C 7 -15.382 -0.979 -3.906 1.00 0.00 H new ATOM 0 HB2 GLU C 7 -14.885 -1.405 -0.952 1.00 0.00 H new ATOM 0 HB3 GLU C 7 -13.741 -0.545 -1.963 1.00 0.00 H new ATOM 0 HG2 GLU C 7 -15.091 1.110 -0.936 1.00 0.00 H new ATOM 0 HG3 GLU C 7 -15.603 1.033 -2.611 1.00 0.00 H new ATOM 110 N GLU C 8 -13.264 -3.037 -2.498 1.00 0.00 N ATOM 111 CA GLU C 8 -12.101 -3.895 -2.816 1.00 0.00 C ATOM 112 C GLU C 8 -11.189 -4.160 -1.613 1.00 0.00 C ATOM 113 O GLU C 8 -10.036 -4.547 -1.791 1.00 0.00 O ATOM 114 CB GLU C 8 -11.242 -3.289 -3.932 1.00 0.00 C ATOM 115 CG GLU C 8 -11.343 -4.044 -5.245 1.00 0.00 C ATOM 116 CD GLU C 8 -10.388 -3.529 -6.296 1.00 0.00 C ATOM 117 OE1 GLU C 8 -9.257 -4.056 -6.384 1.00 0.00 O ATOM 118 OE2 GLU C 8 -10.768 -2.612 -7.051 1.00 0.00 O1- ATOM 0 H GLU C 8 -13.354 -2.796 -1.511 1.00 0.00 H new ATOM 0 HA GLU C 8 -12.537 -4.841 -3.137 1.00 0.00 H new ATOM 0 HB2 GLU C 8 -11.544 -2.254 -4.092 1.00 0.00 H new ATOM 0 HB3 GLU C 8 -10.201 -3.271 -3.610 1.00 0.00 H new ATOM 0 HG2 GLU C 8 -11.143 -5.101 -5.067 1.00 0.00 H new ATOM 0 HG3 GLU C 8 -12.363 -3.972 -5.622 1.00 0.00 H new ATOM 125 N GLN C 9 -11.686 -3.971 -0.399 1.00 0.00 N ATOM 126 CA GLN C 9 -10.860 -4.150 0.804 1.00 0.00 C ATOM 127 C GLN C 9 -10.561 -5.631 1.082 1.00 0.00 C ATOM 128 O GLN C 9 -10.168 -5.999 2.189 1.00 0.00 O ATOM 129 CB GLN C 9 -11.531 -3.522 2.032 1.00 0.00 C ATOM 130 CG GLN C 9 -11.536 -1.998 2.045 1.00 0.00 C ATOM 131 CD GLN C 9 -12.372 -1.392 0.937 1.00 0.00 C ATOM 132 OE1 GLN C 9 -13.345 -1.990 0.481 1.00 0.00 O ATOM 133 NE2 GLN C 9 -12.000 -0.201 0.496 1.00 0.00 N ATOM 0 H GLN C 9 -12.650 -3.695 -0.213 1.00 0.00 H new ATOM 0 HA GLN C 9 -9.915 -3.642 0.612 1.00 0.00 H new ATOM 0 HB2 GLN C 9 -12.561 -3.876 2.087 1.00 0.00 H new ATOM 0 HB3 GLN C 9 -11.023 -3.878 2.928 1.00 0.00 H new ATOM 0 HG2 GLN C 9 -11.914 -1.651 3.007 1.00 0.00 H new ATOM 0 HG3 GLN C 9 -10.511 -1.637 1.956 1.00 0.00 H new ATOM 0 HE21 GLN C 9 -11.186 0.262 0.901 1.00 0.00 H new ATOM 0 HE22 GLN C 9 -12.527 0.254 -0.249 1.00 0.00 H new ATOM 142 N MET C 10 -10.752 -6.471 0.078 1.00 0.00 N ATOM 143 CA MET C 10 -10.550 -7.905 0.219 1.00 0.00 C ATOM 144 C MET C 10 -9.170 -8.309 -0.307 1.00 0.00 C ATOM 145 O MET C 10 -8.185 -7.593 -0.104 1.00 0.00 O ATOM 146 CB MET C 10 -11.644 -8.681 -0.522 1.00 0.00 C ATOM 147 CG MET C 10 -13.056 -8.308 -0.107 1.00 0.00 C ATOM 148 SD MET C 10 -14.309 -9.324 -0.919 1.00 0.00 S ATOM 149 CE MET C 10 -13.846 -9.116 -2.638 1.00 0.00 C ATOM 0 H MET C 10 -11.050 -6.181 -0.853 1.00 0.00 H new ATOM 0 HA MET C 10 -10.606 -8.152 1.279 1.00 0.00 H new ATOM 0 HB2 MET C 10 -11.534 -8.510 -1.593 1.00 0.00 H new ATOM 0 HB3 MET C 10 -11.496 -9.748 -0.353 1.00 0.00 H new ATOM 0 HG2 MET C 10 -13.153 -8.413 0.974 1.00 0.00 H new ATOM 0 HG3 MET C 10 -13.235 -7.259 -0.343 1.00 0.00 H new ATOM 0 HE1 MET C 10 -14.615 -9.549 -3.277 1.00 0.00 H new ATOM 0 HE2 MET C 10 -13.744 -8.054 -2.862 1.00 0.00 H new ATOM 0 HE3 MET C 10 -12.896 -9.618 -2.822 1.00 0.00 H new ATOM 159 N ASN C 11 -9.117 -9.466 -0.969 1.00 0.00 N ATOM 160 CA ASN C 11 -7.870 -10.064 -1.467 1.00 0.00 C ATOM 161 C ASN C 11 -6.979 -9.070 -2.215 1.00 0.00 C ATOM 162 O ASN C 11 -5.760 -9.247 -2.252 1.00 0.00 O ATOM 163 CB ASN C 11 -8.183 -11.241 -2.396 1.00 0.00 C ATOM 164 CG ASN C 11 -9.015 -12.324 -1.734 1.00 0.00 C ATOM 165 OD1 ASN C 11 -8.837 -12.517 -0.436 1.00 0.00 O flip ATOM 166 ND2 ASN C 11 -9.813 -12.990 -2.392 1.00 0.00 N flip ATOM 0 H ASN C 11 -9.946 -10.023 -1.178 1.00 0.00 H new ATOM 0 HA ASN C 11 -7.322 -10.399 -0.586 1.00 0.00 H new ATOM 0 HB2 ASN C 11 -8.713 -10.871 -3.274 1.00 0.00 H new ATOM 0 HB3 ASN C 11 -7.247 -11.676 -2.748 1.00 0.00 H new ATOM 0 HD21 ASN C 11 -9.924 -12.813 -3.390 1.00 0.00 H new ATOM 0 HD22 ASN C 11 -10.364 -13.719 -1.939 1.00 0.00 H new ATOM 173 N SER C 12 -7.587 -8.039 -2.804 1.00 0.00 N ATOM 174 CA SER C 12 -6.852 -7.018 -3.549 1.00 0.00 C ATOM 175 C SER C 12 -5.642 -6.506 -2.769 1.00 0.00 C ATOM 176 O SER C 12 -4.545 -6.400 -3.319 1.00 0.00 O ATOM 177 CB SER C 12 -7.774 -5.849 -3.902 1.00 0.00 C ATOM 178 OG SER C 12 -8.825 -6.264 -4.759 1.00 0.00 O ATOM 0 H SER C 12 -8.596 -7.889 -2.778 1.00 0.00 H new ATOM 0 HA SER C 12 -6.488 -7.483 -4.465 1.00 0.00 H new ATOM 0 HB2 SER C 12 -8.192 -5.424 -2.989 1.00 0.00 H new ATOM 0 HB3 SER C 12 -7.197 -5.061 -4.386 1.00 0.00 H new ATOM 0 HG SER C 12 -9.050 -5.537 -5.377 1.00 0.00 H new ATOM 184 N ILE C 13 -5.833 -6.199 -1.488 1.00 0.00 N ATOM 185 CA ILE C 13 -4.735 -5.706 -0.666 1.00 0.00 C ATOM 186 C ILE C 13 -4.003 -6.855 0.029 1.00 0.00 C ATOM 187 O ILE C 13 -2.838 -6.726 0.395 1.00 0.00 O ATOM 188 CB ILE C 13 -5.208 -4.662 0.383 1.00 0.00 C ATOM 189 CG1 ILE C 13 -6.253 -5.247 1.339 1.00 0.00 C ATOM 190 CG2 ILE C 13 -5.763 -3.425 -0.305 1.00 0.00 C ATOM 191 CD1 ILE C 13 -5.667 -5.756 2.638 1.00 0.00 C ATOM 0 H ILE C 13 -6.727 -6.282 -1.003 1.00 0.00 H new ATOM 0 HA ILE C 13 -4.042 -5.206 -1.343 1.00 0.00 H new ATOM 0 HB ILE C 13 -4.337 -4.380 0.974 1.00 0.00 H new ATOM 0 HG12 ILE C 13 -6.998 -4.483 1.561 1.00 0.00 H new ATOM 0 HG13 ILE C 13 -6.773 -6.064 0.840 1.00 0.00 H new ATOM 0 HG21 ILE C 13 -6.089 -2.706 0.447 1.00 0.00 H new ATOM 0 HG22 ILE C 13 -4.988 -2.975 -0.926 1.00 0.00 H new ATOM 0 HG23 ILE C 13 -6.611 -3.706 -0.930 1.00 0.00 H new ATOM 0 HD11 ILE C 13 -6.464 -6.156 3.265 1.00 0.00 H new ATOM 0 HD12 ILE C 13 -4.943 -6.543 2.427 1.00 0.00 H new ATOM 0 HD13 ILE C 13 -5.172 -4.937 3.159 1.00 0.00 H new ATOM 203 N ASN C 14 -4.678 -7.986 0.190 1.00 0.00 N ATOM 204 CA ASN C 14 -4.095 -9.136 0.889 1.00 0.00 C ATOM 205 C ASN C 14 -2.966 -9.752 0.087 1.00 0.00 C ATOM 206 O ASN C 14 -1.877 -9.977 0.607 1.00 0.00 O ATOM 207 CB ASN C 14 -5.121 -10.227 1.118 1.00 0.00 C ATOM 208 CG ASN C 14 -6.332 -9.796 1.922 1.00 0.00 C ATOM 209 OD1 ASN C 14 -7.445 -10.257 1.674 1.00 0.00 O ATOM 210 ND2 ASN C 14 -6.127 -8.946 2.912 1.00 0.00 N ATOM 0 H ASN C 14 -5.627 -8.137 -0.151 1.00 0.00 H new ATOM 0 HA ASN C 14 -3.727 -8.754 1.842 1.00 0.00 H new ATOM 0 HB2 ASN C 14 -5.458 -10.600 0.151 1.00 0.00 H new ATOM 0 HB3 ASN C 14 -4.639 -11.059 1.630 1.00 0.00 H new ATOM 0 HD21 ASN C 14 -6.906 -8.651 3.501 1.00 0.00 H new ATOM 0 HD22 ASN C 14 -5.190 -8.584 3.088 1.00 0.00 H new ATOM 217 N SER C 15 -3.243 -10.048 -1.179 1.00 0.00 N ATOM 218 CA SER C 15 -2.258 -10.668 -2.055 1.00 0.00 C ATOM 219 C SER C 15 -1.024 -9.783 -2.144 1.00 0.00 C ATOM 220 O SER C 15 0.105 -10.262 -2.268 1.00 0.00 O ATOM 221 CB SER C 15 -2.858 -10.894 -3.445 1.00 0.00 C ATOM 222 OG SER C 15 -2.003 -11.682 -4.253 1.00 0.00 O ATOM 0 H SER C 15 -4.144 -9.867 -1.621 1.00 0.00 H new ATOM 0 HA SER C 15 -1.969 -11.635 -1.644 1.00 0.00 H new ATOM 0 HB2 SER C 15 -3.826 -11.385 -3.350 1.00 0.00 H new ATOM 0 HB3 SER C 15 -3.034 -9.933 -3.928 1.00 0.00 H new ATOM 0 HG SER C 15 -2.413 -11.811 -5.134 1.00 0.00 H new ATOM 228 N VAL C 16 -1.255 -8.483 -2.062 1.00 0.00 N ATOM 229 CA VAL C 16 -0.179 -7.520 -2.033 1.00 0.00 C ATOM 230 C VAL C 16 0.549 -7.590 -0.697 1.00 0.00 C ATOM 231 O VAL C 16 1.764 -7.441 -0.648 1.00 0.00 O ATOM 232 CB VAL C 16 -0.702 -6.090 -2.263 1.00 0.00 C ATOM 233 CG1 VAL C 16 0.437 -5.088 -2.272 1.00 0.00 C ATOM 234 CG2 VAL C 16 -1.476 -6.017 -3.563 1.00 0.00 C ATOM 0 H VAL C 16 -2.188 -8.073 -2.014 1.00 0.00 H new ATOM 0 HA VAL C 16 0.512 -7.766 -2.839 1.00 0.00 H new ATOM 0 HB VAL C 16 -1.370 -5.837 -1.439 1.00 0.00 H new ATOM 0 HG11 VAL C 16 0.039 -4.087 -2.436 1.00 0.00 H new ATOM 0 HG12 VAL C 16 0.957 -5.119 -1.314 1.00 0.00 H new ATOM 0 HG13 VAL C 16 1.134 -5.337 -3.072 1.00 0.00 H new ATOM 0 HG21 VAL C 16 -1.840 -5.001 -3.713 1.00 0.00 H new ATOM 0 HG22 VAL C 16 -0.824 -6.295 -4.391 1.00 0.00 H new ATOM 0 HG23 VAL C 16 -2.322 -6.703 -3.522 1.00 0.00 H new ATOM 244 N ASN C 17 -0.186 -7.869 0.383 1.00 0.00 N ATOM 245 CA ASN C 17 0.437 -7.947 1.706 1.00 0.00 C ATOM 246 C ASN C 17 1.457 -9.077 1.740 1.00 0.00 C ATOM 247 O ASN C 17 2.524 -8.947 2.344 1.00 0.00 O ATOM 248 CB ASN C 17 -0.603 -8.149 2.813 1.00 0.00 C ATOM 249 CG ASN C 17 -1.030 -6.849 3.471 1.00 0.00 C ATOM 250 OD1 ASN C 17 -0.401 -6.386 4.421 1.00 0.00 O ATOM 251 ND2 ASN C 17 -2.104 -6.254 2.981 1.00 0.00 N ATOM 0 H ASN C 17 -1.191 -8.041 0.370 1.00 0.00 H new ATOM 0 HA ASN C 17 0.940 -6.997 1.890 1.00 0.00 H new ATOM 0 HB2 ASN C 17 -1.480 -8.643 2.394 1.00 0.00 H new ATOM 0 HB3 ASN C 17 -0.193 -8.816 3.571 1.00 0.00 H new ATOM 0 HD21 ASN C 17 -2.436 -5.382 3.392 1.00 0.00 H new ATOM 0 HD22 ASN C 17 -2.601 -6.667 2.192 1.00 0.00 H new ATOM 258 N ASP C 18 1.129 -10.172 1.061 1.00 0.00 N ATOM 259 CA ASP C 18 2.027 -11.319 0.950 1.00 0.00 C ATOM 260 C ASP C 18 3.246 -10.965 0.107 1.00 0.00 C ATOM 261 O ASP C 18 4.342 -11.482 0.325 1.00 0.00 O ATOM 262 CB ASP C 18 1.311 -12.511 0.306 1.00 0.00 C ATOM 263 CG ASP C 18 0.110 -12.989 1.094 1.00 0.00 C ATOM 264 OD1 ASP C 18 -1.031 -12.737 0.655 1.00 0.00 O ATOM 265 OD2 ASP C 18 0.298 -13.633 2.148 1.00 0.00 O1- ATOM 0 H ASP C 18 0.240 -10.290 0.575 1.00 0.00 H new ATOM 0 HA ASP C 18 2.344 -11.588 1.958 1.00 0.00 H new ATOM 0 HB2 ASP C 18 0.990 -12.233 -0.698 1.00 0.00 H new ATOM 0 HB3 ASP C 18 2.017 -13.335 0.199 1.00 0.00 H new ATOM 270 N LYS C 19 3.045 -10.066 -0.848 1.00 0.00 N ATOM 271 CA LYS C 19 4.094 -9.682 -1.785 1.00 0.00 C ATOM 272 C LYS C 19 5.052 -8.718 -1.116 1.00 0.00 C ATOM 273 O LYS C 19 6.245 -8.691 -1.402 1.00 0.00 O ATOM 274 CB LYS C 19 3.482 -8.995 -3.009 1.00 0.00 C ATOM 275 CG LYS C 19 4.451 -8.824 -4.167 1.00 0.00 C ATOM 276 CD LYS C 19 4.185 -7.544 -4.947 1.00 0.00 C ATOM 277 CE LYS C 19 4.679 -6.309 -4.203 1.00 0.00 C ATOM 278 NZ LYS C 19 6.167 -6.267 -4.100 1.00 0.00 N1+ ATOM 0 H LYS C 19 2.157 -9.585 -0.995 1.00 0.00 H new ATOM 0 HA LYS C 19 4.626 -10.581 -2.097 1.00 0.00 H new ATOM 0 HB2 LYS C 19 2.624 -9.576 -3.348 1.00 0.00 H new ATOM 0 HB3 LYS C 19 3.107 -8.015 -2.714 1.00 0.00 H new ATOM 0 HG2 LYS C 19 5.472 -8.811 -3.787 1.00 0.00 H new ATOM 0 HG3 LYS C 19 4.371 -9.680 -4.837 1.00 0.00 H new ATOM 0 HD2 LYS C 19 4.676 -7.603 -5.918 1.00 0.00 H new ATOM 0 HD3 LYS C 19 3.116 -7.450 -5.136 1.00 0.00 H new ATOM 0 HE2 LYS C 19 4.327 -5.414 -4.716 1.00 0.00 H new ATOM 0 HE3 LYS C 19 4.247 -6.294 -3.202 1.00 0.00 H new ATOM 0 HZ1 LYS C 19 6.482 -5.279 -4.024 1.00 0.00 H new ATOM 0 HZ2 LYS C 19 6.472 -6.793 -3.256 1.00 0.00 H new ATOM 0 HZ3 LYS C 19 6.586 -6.700 -4.948 1.00 0.00 H new ATOM 292 N LEU C 20 4.492 -7.913 -0.236 1.00 0.00 N ATOM 293 CA LEU C 20 5.231 -6.872 0.449 1.00 0.00 C ATOM 294 C LEU C 20 6.015 -7.435 1.624 1.00 0.00 C ATOM 295 O LEU C 20 7.158 -7.050 1.862 1.00 0.00 O ATOM 296 CB LEU C 20 4.246 -5.816 0.921 1.00 0.00 C ATOM 297 CG LEU C 20 3.462 -5.131 -0.198 1.00 0.00 C ATOM 298 CD1 LEU C 20 2.422 -4.205 0.390 1.00 0.00 C ATOM 299 CD2 LEU C 20 4.401 -4.374 -1.125 1.00 0.00 C ATOM 0 H LEU C 20 3.507 -7.963 0.025 1.00 0.00 H new ATOM 0 HA LEU C 20 5.953 -6.430 -0.237 1.00 0.00 H new ATOM 0 HB2 LEU C 20 3.540 -6.279 1.610 1.00 0.00 H new ATOM 0 HB3 LEU C 20 4.789 -5.057 1.483 1.00 0.00 H new ATOM 0 HG LEU C 20 2.953 -5.893 -0.787 1.00 0.00 H new ATOM 0 HD11 LEU C 20 1.869 -3.722 -0.415 1.00 0.00 H new ATOM 0 HD12 LEU C 20 1.733 -4.779 1.010 1.00 0.00 H new ATOM 0 HD13 LEU C 20 2.913 -3.446 0.999 1.00 0.00 H new ATOM 0 HD21 LEU C 20 3.823 -3.893 -1.915 1.00 0.00 H new ATOM 0 HD22 LEU C 20 4.940 -3.616 -0.557 1.00 0.00 H new ATOM 0 HD23 LEU C 20 5.113 -5.070 -1.569 1.00 0.00 H new ATOM 311 N ASN C 21 5.401 -8.354 2.350 1.00 0.00 N ATOM 312 CA ASN C 21 6.066 -9.014 3.464 1.00 0.00 C ATOM 313 C ASN C 21 6.944 -10.149 2.944 1.00 0.00 C ATOM 314 O ASN C 21 6.677 -11.326 3.180 1.00 0.00 O ATOM 315 CB ASN C 21 5.036 -9.534 4.477 1.00 0.00 C ATOM 316 CG ASN C 21 4.475 -8.429 5.360 1.00 0.00 C ATOM 317 OD1 ASN C 21 5.015 -8.144 6.428 1.00 0.00 O ATOM 318 ND2 ASN C 21 3.385 -7.798 4.935 1.00 0.00 N ATOM 0 H ASN C 21 4.442 -8.661 2.189 1.00 0.00 H new ATOM 0 HA ASN C 21 6.701 -8.291 3.977 1.00 0.00 H new ATOM 0 HB2 ASN C 21 4.218 -10.017 3.943 1.00 0.00 H new ATOM 0 HB3 ASN C 21 5.501 -10.295 5.104 1.00 0.00 H new ATOM 0 HD21 ASN C 21 2.973 -7.055 5.499 1.00 0.00 H new ATOM 0 HD22 ASN C 21 2.960 -8.057 4.045 1.00 0.00 H new ATOM 325 N LYS C 22 7.990 -9.768 2.219 1.00 0.00 N ATOM 326 CA LYS C 22 8.871 -10.723 1.553 1.00 0.00 C ATOM 327 C LYS C 22 10.170 -10.951 2.320 1.00 0.00 C ATOM 328 O LYS C 22 10.874 -11.932 2.082 1.00 0.00 O ATOM 329 CB LYS C 22 9.178 -10.251 0.122 1.00 0.00 C ATOM 330 CG LYS C 22 9.173 -8.731 -0.065 1.00 0.00 C ATOM 331 CD LYS C 22 10.303 -8.030 0.683 1.00 0.00 C ATOM 332 CE LYS C 22 10.205 -6.518 0.529 1.00 0.00 C ATOM 333 NZ LYS C 22 10.395 -6.100 -0.886 1.00 0.00 N1+ ATOM 0 H LYS C 22 8.251 -8.792 2.076 1.00 0.00 H new ATOM 0 HA LYS C 22 8.345 -11.677 1.520 1.00 0.00 H new ATOM 0 HB2 LYS C 22 10.154 -10.636 -0.172 1.00 0.00 H new ATOM 0 HB3 LYS C 22 8.445 -10.689 -0.556 1.00 0.00 H new ATOM 0 HG2 LYS C 22 9.252 -8.502 -1.128 1.00 0.00 H new ATOM 0 HG3 LYS C 22 8.218 -8.332 0.277 1.00 0.00 H new ATOM 0 HD2 LYS C 22 10.263 -8.295 1.740 1.00 0.00 H new ATOM 0 HD3 LYS C 22 11.264 -8.376 0.304 1.00 0.00 H new ATOM 0 HE2 LYS C 22 9.232 -6.178 0.882 1.00 0.00 H new ATOM 0 HE3 LYS C 22 10.957 -6.038 1.155 1.00 0.00 H new ATOM 0 HZ1 LYS C 22 9.954 -5.170 -1.035 1.00 0.00 H new ATOM 0 HZ2 LYS C 22 11.412 -6.039 -1.097 1.00 0.00 H new ATOM 0 HZ3 LYS C 22 9.952 -6.798 -1.517 1.00 0.00 H new ATOM 347 N GLY C 23 10.488 -10.051 3.232 1.00 0.00 N ATOM 348 CA GLY C 23 11.717 -10.167 3.985 1.00 0.00 C ATOM 349 C GLY C 23 12.209 -8.819 4.440 1.00 0.00 C ATOM 350 O GLY C 23 12.259 -8.542 5.633 1.00 0.00 O ATOM 0 H GLY C 23 9.916 -9.239 3.466 1.00 0.00 H new ATOM 0 HA2 GLY C 23 11.556 -10.809 4.851 1.00 0.00 H new ATOM 0 HA3 GLY C 23 12.479 -10.646 3.370 1.00 0.00 H new ATOM 354 N LYS C 24 12.564 -7.975 3.484 1.00 0.00 N ATOM 355 CA LYS C 24 12.946 -6.602 3.779 1.00 0.00 C ATOM 356 C LYS C 24 11.700 -5.729 3.886 1.00 0.00 C ATOM 357 O LYS C 24 10.611 -6.238 4.153 1.00 0.00 O ATOM 358 CB LYS C 24 13.886 -6.052 2.706 1.00 0.00 C ATOM 359 CG LYS C 24 15.101 -6.927 2.445 1.00 0.00 C ATOM 360 CD LYS C 24 16.201 -6.700 3.469 1.00 0.00 C ATOM 361 CE LYS C 24 16.909 -5.372 3.248 1.00 0.00 C ATOM 362 NZ LYS C 24 18.107 -5.235 4.114 1.00 0.00 N1+ ATOM 0 H LYS C 24 12.596 -8.217 2.494 1.00 0.00 H new ATOM 0 HA LYS C 24 13.476 -6.589 4.731 1.00 0.00 H new ATOM 0 HB2 LYS C 24 13.330 -5.933 1.776 1.00 0.00 H new ATOM 0 HB3 LYS C 24 14.223 -5.060 3.006 1.00 0.00 H new ATOM 0 HG2 LYS C 24 14.802 -7.975 2.461 1.00 0.00 H new ATOM 0 HG3 LYS C 24 15.488 -6.721 1.447 1.00 0.00 H new ATOM 0 HD2 LYS C 24 15.775 -6.723 4.472 1.00 0.00 H new ATOM 0 HD3 LYS C 24 16.925 -7.513 3.412 1.00 0.00 H new ATOM 0 HE2 LYS C 24 17.205 -5.287 2.202 1.00 0.00 H new ATOM 0 HE3 LYS C 24 16.218 -4.554 3.451 1.00 0.00 H new ATOM 0 HZ1 LYS C 24 18.562 -4.317 3.934 1.00 0.00 H new ATOM 0 HZ2 LYS C 24 17.822 -5.290 5.113 1.00 0.00 H new ATOM 0 HZ3 LYS C 24 18.778 -6.001 3.903 1.00 0.00 H new ATOM 376 N GLY C 25 11.885 -4.426 3.688 1.00 0.00 N ATOM 377 CA GLY C 25 10.824 -3.442 3.852 1.00 0.00 C ATOM 378 C GLY C 25 9.469 -3.877 3.369 1.00 0.00 C ATOM 379 O GLY C 25 9.302 -4.357 2.252 1.00 0.00 O ATOM 0 H GLY C 25 12.780 -4.024 3.408 1.00 0.00 H new ATOM 0 HA2 GLY C 25 10.750 -3.183 4.908 1.00 0.00 H new ATOM 0 HA3 GLY C 25 11.107 -2.533 3.321 1.00 0.00 H new ATOM 383 N LYS C 26 8.499 -3.668 4.230 1.00 0.00 N ATOM 384 CA LYS C 26 7.157 -4.160 4.021 1.00 0.00 C ATOM 385 C LYS C 26 6.147 -3.150 4.532 1.00 0.00 C ATOM 386 O LYS C 26 6.403 -2.467 5.520 1.00 0.00 O ATOM 387 CB LYS C 26 7.016 -5.481 4.771 1.00 0.00 C ATOM 388 CG LYS C 26 7.645 -5.415 6.154 1.00 0.00 C ATOM 389 CD LYS C 26 8.173 -6.763 6.602 1.00 0.00 C ATOM 390 CE LYS C 26 9.634 -6.652 6.995 1.00 0.00 C ATOM 391 NZ LYS C 26 10.210 -7.957 7.414 1.00 0.00 N1+ ATOM 0 H LYS C 26 8.620 -3.149 5.100 1.00 0.00 H new ATOM 0 HA LYS C 26 6.970 -4.313 2.958 1.00 0.00 H new ATOM 0 HB2 LYS C 26 5.960 -5.735 4.864 1.00 0.00 H new ATOM 0 HB3 LYS C 26 7.487 -6.278 4.195 1.00 0.00 H new ATOM 0 HG2 LYS C 26 8.459 -4.690 6.148 1.00 0.00 H new ATOM 0 HG3 LYS C 26 6.906 -5.058 6.872 1.00 0.00 H new ATOM 0 HD2 LYS C 26 7.589 -7.127 7.447 1.00 0.00 H new ATOM 0 HD3 LYS C 26 8.060 -7.491 5.799 1.00 0.00 H new ATOM 0 HE2 LYS C 26 10.205 -6.260 6.153 1.00 0.00 H new ATOM 0 HE3 LYS C 26 9.735 -5.935 7.810 1.00 0.00 H new ATOM 0 HZ1 LYS C 26 10.487 -7.909 8.415 1.00 0.00 H new ATOM 0 HZ2 LYS C 26 9.500 -8.707 7.287 1.00 0.00 H new ATOM 0 HZ3 LYS C 26 11.046 -8.170 6.833 1.00 0.00 H new ATOM 405 N LEU C 27 5.022 -3.040 3.845 1.00 0.00 N ATOM 406 CA LEU C 27 3.939 -2.186 4.295 1.00 0.00 C ATOM 407 C LEU C 27 2.660 -3.006 4.429 1.00 0.00 C ATOM 408 O LEU C 27 2.114 -3.502 3.447 1.00 0.00 O ATOM 409 CB LEU C 27 3.744 -0.948 3.393 1.00 0.00 C ATOM 410 CG LEU C 27 3.486 -1.214 1.928 1.00 0.00 C ATOM 411 CD1 LEU C 27 2.944 0.036 1.248 1.00 0.00 C ATOM 412 CD2 LEU C 27 4.741 -1.682 1.204 1.00 0.00 C ATOM 0 H LEU C 27 4.836 -3.533 2.972 1.00 0.00 H new ATOM 0 HA LEU C 27 4.205 -1.791 5.276 1.00 0.00 H new ATOM 0 HB2 LEU C 27 2.909 -0.368 3.786 1.00 0.00 H new ATOM 0 HB3 LEU C 27 4.633 -0.323 3.475 1.00 0.00 H new ATOM 0 HG LEU C 27 2.746 -2.012 1.873 1.00 0.00 H new ATOM 0 HD11 LEU C 27 2.764 -0.173 0.193 1.00 0.00 H new ATOM 0 HD12 LEU C 27 2.010 0.333 1.724 1.00 0.00 H new ATOM 0 HD13 LEU C 27 3.670 0.844 1.339 1.00 0.00 H new ATOM 0 HD21 LEU C 27 4.510 -1.861 0.154 1.00 0.00 H new ATOM 0 HD22 LEU C 27 5.512 -0.915 1.280 1.00 0.00 H new ATOM 0 HD23 LEU C 27 5.101 -2.605 1.659 1.00 0.00 H new ATOM 424 N SER C 28 2.210 -3.165 5.664 1.00 0.00 N ATOM 425 CA SER C 28 1.041 -3.980 5.964 1.00 0.00 C ATOM 426 C SER C 28 -0.229 -3.172 5.735 1.00 0.00 C ATOM 427 O SER C 28 -0.599 -2.332 6.551 1.00 0.00 O ATOM 428 CB SER C 28 1.100 -4.436 7.422 1.00 0.00 C ATOM 429 OG SER C 28 2.249 -5.235 7.660 1.00 0.00 O ATOM 0 H SER C 28 2.641 -2.736 6.483 1.00 0.00 H new ATOM 0 HA SER C 28 1.033 -4.850 5.308 1.00 0.00 H new ATOM 0 HB2 SER C 28 1.116 -3.566 8.078 1.00 0.00 H new ATOM 0 HB3 SER C 28 0.202 -5.003 7.666 1.00 0.00 H new ATOM 0 HG SER C 28 2.265 -5.513 8.600 1.00 0.00 H new ATOM 435 N LEU C 29 -0.898 -3.456 4.635 1.00 0.00 N ATOM 436 CA LEU C 29 -2.013 -2.643 4.168 1.00 0.00 C ATOM 437 C LEU C 29 -3.282 -2.964 4.922 1.00 0.00 C ATOM 438 O LEU C 29 -3.721 -4.114 4.952 1.00 0.00 O ATOM 439 CB LEU C 29 -2.236 -2.898 2.677 1.00 0.00 C ATOM 440 CG LEU C 29 -0.966 -2.951 1.827 1.00 0.00 C ATOM 441 CD1 LEU C 29 -1.280 -3.491 0.443 1.00 0.00 C ATOM 442 CD2 LEU C 29 -0.323 -1.576 1.735 1.00 0.00 C ATOM 0 H LEU C 29 -0.687 -4.255 4.037 1.00 0.00 H new ATOM 0 HA LEU C 29 -1.767 -1.596 4.342 1.00 0.00 H new ATOM 0 HB2 LEU C 29 -2.770 -3.841 2.562 1.00 0.00 H new ATOM 0 HB3 LEU C 29 -2.884 -2.115 2.284 1.00 0.00 H new ATOM 0 HG LEU C 29 -0.256 -3.625 2.308 1.00 0.00 H new ATOM 0 HD11 LEU C 29 -0.367 -3.523 -0.151 1.00 0.00 H new ATOM 0 HD12 LEU C 29 -1.692 -4.496 0.530 1.00 0.00 H new ATOM 0 HD13 LEU C 29 -2.007 -2.842 -0.045 1.00 0.00 H new ATOM 0 HD21 LEU C 29 0.579 -1.636 1.126 1.00 0.00 H new ATOM 0 HD22 LEU C 29 -1.023 -0.877 1.278 1.00 0.00 H new ATOM 0 HD23 LEU C 29 -0.063 -1.228 2.735 1.00 0.00 H new ATOM 454 N SER C 30 -3.856 -1.950 5.551 1.00 0.00 N ATOM 455 CA SER C 30 -5.155 -2.100 6.159 1.00 0.00 C ATOM 456 C SER C 30 -6.079 -0.967 5.714 1.00 0.00 C ATOM 457 O SER C 30 -5.719 0.207 5.817 1.00 0.00 O ATOM 458 CB SER C 30 -5.026 -2.119 7.682 1.00 0.00 C ATOM 459 OG SER C 30 -3.972 -2.979 8.089 1.00 0.00 O ATOM 0 H SER C 30 -3.441 -1.024 5.650 1.00 0.00 H new ATOM 0 HA SER C 30 -5.588 -3.047 5.837 1.00 0.00 H new ATOM 0 HB2 SER C 30 -4.839 -1.109 8.048 1.00 0.00 H new ATOM 0 HB3 SER C 30 -5.964 -2.451 8.127 1.00 0.00 H new ATOM 0 HG SER C 30 -3.906 -2.975 9.067 1.00 0.00 H new ATOM 465 N MET C 31 -7.263 -1.324 5.229 1.00 0.00 N ATOM 466 CA MET C 31 -8.217 -0.348 4.707 1.00 0.00 C ATOM 467 C MET C 31 -9.610 -0.584 5.269 1.00 0.00 C ATOM 468 O MET C 31 -10.204 -1.638 5.042 1.00 0.00 O ATOM 469 CB MET C 31 -8.293 -0.425 3.182 1.00 0.00 C ATOM 470 CG MET C 31 -7.064 0.095 2.471 1.00 0.00 C ATOM 471 SD MET C 31 -7.248 0.080 0.683 1.00 0.00 S ATOM 472 CE MET C 31 -5.793 1.000 0.196 1.00 0.00 C ATOM 0 H MET C 31 -7.588 -2.290 5.186 1.00 0.00 H new ATOM 0 HA MET C 31 -7.864 0.637 5.012 1.00 0.00 H new ATOM 0 HB2 MET C 31 -8.456 -1.462 2.890 1.00 0.00 H new ATOM 0 HB3 MET C 31 -9.161 0.141 2.844 1.00 0.00 H new ATOM 0 HG2 MET C 31 -6.859 1.112 2.804 1.00 0.00 H new ATOM 0 HG3 MET C 31 -6.202 -0.512 2.750 1.00 0.00 H new ATOM 0 HE1 MET C 31 -5.529 0.747 -0.831 1.00 0.00 H new ATOM 0 HE2 MET C 31 -5.998 2.068 0.265 1.00 0.00 H new ATOM 0 HE3 MET C 31 -4.964 0.746 0.857 1.00 0.00 H new ATOM 482 N ASN C 32 -10.123 0.381 6.015 1.00 0.00 N ATOM 483 CA ASN C 32 -11.496 0.311 6.496 1.00 0.00 C ATOM 484 C ASN C 32 -12.093 1.705 6.676 1.00 0.00 C ATOM 485 O ASN C 32 -11.865 2.357 7.693 1.00 0.00 O ATOM 486 CB ASN C 32 -11.571 -0.465 7.812 1.00 0.00 C ATOM 487 CG ASN C 32 -12.990 -0.586 8.333 1.00 0.00 C ATOM 488 OD1 ASN C 32 -13.945 -0.679 7.561 1.00 0.00 O ATOM 489 ND2 ASN C 32 -13.137 -0.567 9.648 1.00 0.00 N ATOM 0 H ASN C 32 -9.614 1.218 6.300 1.00 0.00 H new ATOM 0 HA ASN C 32 -12.081 -0.217 5.742 1.00 0.00 H new ATOM 0 HB2 ASN C 32 -11.154 -1.462 7.667 1.00 0.00 H new ATOM 0 HB3 ASN C 32 -10.954 0.033 8.560 1.00 0.00 H new ATOM 0 HD21 ASN C 32 -14.069 -0.631 10.058 1.00 0.00 H new ATOM 0 HD22 ASN C 32 -12.318 -0.489 10.252 1.00 0.00 H new ATOM 496 N GLY C 33 -12.837 2.163 5.676 1.00 0.00 N ATOM 497 CA GLY C 33 -13.567 3.414 5.793 1.00 0.00 C ATOM 498 C GLY C 33 -12.669 4.640 5.881 1.00 0.00 C ATOM 499 O GLY C 33 -12.293 5.213 4.860 1.00 0.00 O ATOM 0 H GLY C 33 -12.949 1.688 4.780 1.00 0.00 H new ATOM 0 HA2 GLY C 33 -14.229 3.520 4.933 1.00 0.00 H new ATOM 0 HA3 GLY C 33 -14.200 3.374 6.679 1.00 0.00 H new ATOM 503 N ASN C 34 -12.344 5.052 7.101 1.00 0.00 N ATOM 504 CA ASN C 34 -11.550 6.254 7.329 1.00 0.00 C ATOM 505 C ASN C 34 -10.100 5.871 7.632 1.00 0.00 C ATOM 506 O ASN C 34 -9.174 6.656 7.443 1.00 0.00 O ATOM 507 CB ASN C 34 -12.160 7.041 8.506 1.00 0.00 C ATOM 508 CG ASN C 34 -11.649 8.471 8.661 1.00 0.00 C ATOM 509 OD1 ASN C 34 -12.398 9.362 9.063 1.00 0.00 O ATOM 510 ND2 ASN C 34 -10.381 8.703 8.386 1.00 0.00 N ATOM 0 H ASN C 34 -12.621 4.567 7.954 1.00 0.00 H new ATOM 0 HA ASN C 34 -11.558 6.879 6.436 1.00 0.00 H new ATOM 0 HB2 ASN C 34 -13.243 7.070 8.382 1.00 0.00 H new ATOM 0 HB3 ASN C 34 -11.959 6.498 9.429 1.00 0.00 H new ATOM 0 HD21 ASN C 34 -9.997 9.640 8.505 1.00 0.00 H new ATOM 0 HD22 ASN C 34 -9.784 7.945 8.055 1.00 0.00 H new ATOM 517 N GLN C 35 -9.893 4.644 8.052 1.00 0.00 N ATOM 518 CA GLN C 35 -8.583 4.240 8.532 1.00 0.00 C ATOM 519 C GLN C 35 -7.698 3.724 7.403 1.00 0.00 C ATOM 520 O GLN C 35 -8.097 2.871 6.604 1.00 0.00 O ATOM 521 CB GLN C 35 -8.709 3.172 9.621 1.00 0.00 C ATOM 522 CG GLN C 35 -9.105 1.808 9.093 1.00 0.00 C ATOM 523 CD GLN C 35 -9.492 0.845 10.198 1.00 0.00 C ATOM 524 OE1 GLN C 35 -10.649 0.780 10.608 1.00 0.00 O ATOM 525 NE2 GLN C 35 -8.525 0.081 10.678 1.00 0.00 N ATOM 0 H GLN C 35 -10.603 3.912 8.073 1.00 0.00 H new ATOM 0 HA GLN C 35 -8.110 5.127 8.953 1.00 0.00 H new ATOM 0 HB2 GLN C 35 -7.757 3.087 10.146 1.00 0.00 H new ATOM 0 HB3 GLN C 35 -9.448 3.497 10.353 1.00 0.00 H new ATOM 0 HG2 GLN C 35 -9.941 1.918 8.403 1.00 0.00 H new ATOM 0 HG3 GLN C 35 -8.276 1.388 8.524 1.00 0.00 H new ATOM 0 HE21 GLN C 35 -7.578 0.166 10.310 1.00 0.00 H new ATOM 0 HE22 GLN C 35 -8.727 -0.593 11.416 1.00 0.00 H new ATOM 534 N LEU C 36 -6.511 4.291 7.326 1.00 0.00 N ATOM 535 CA LEU C 36 -5.441 3.728 6.531 1.00 0.00 C ATOM 536 C LEU C 36 -4.198 3.683 7.387 1.00 0.00 C ATOM 537 O LEU C 36 -3.716 4.714 7.851 1.00 0.00 O ATOM 538 CB LEU C 36 -5.178 4.543 5.259 1.00 0.00 C ATOM 539 CG LEU C 36 -4.420 3.808 4.127 1.00 0.00 C ATOM 540 CD1 LEU C 36 -2.980 3.522 4.502 1.00 0.00 C ATOM 541 CD2 LEU C 36 -5.109 2.505 3.780 1.00 0.00 C ATOM 0 H LEU C 36 -6.262 5.153 7.812 1.00 0.00 H new ATOM 0 HA LEU C 36 -5.728 2.727 6.209 1.00 0.00 H new ATOM 0 HB2 LEU C 36 -6.135 4.885 4.866 1.00 0.00 H new ATOM 0 HB3 LEU C 36 -4.610 5.432 5.532 1.00 0.00 H new ATOM 0 HG LEU C 36 -4.427 4.471 3.262 1.00 0.00 H new ATOM 0 HD11 LEU C 36 -2.485 3.005 3.679 1.00 0.00 H new ATOM 0 HD12 LEU C 36 -2.463 4.460 4.704 1.00 0.00 H new ATOM 0 HD13 LEU C 36 -2.954 2.894 5.393 1.00 0.00 H new ATOM 0 HD21 LEU C 36 -4.560 2.004 2.982 1.00 0.00 H new ATOM 0 HD22 LEU C 36 -5.137 1.862 4.660 1.00 0.00 H new ATOM 0 HD23 LEU C 36 -6.127 2.709 3.447 1.00 0.00 H new ATOM 553 N LYS C 37 -3.711 2.491 7.619 1.00 0.00 N ATOM 554 CA LYS C 37 -2.484 2.305 8.356 1.00 0.00 C ATOM 555 C LYS C 37 -1.735 1.119 7.773 1.00 0.00 C ATOM 556 O LYS C 37 -2.133 -0.036 7.931 1.00 0.00 O ATOM 557 CB LYS C 37 -2.777 2.068 9.840 1.00 0.00 C ATOM 558 CG LYS C 37 -3.783 0.959 10.104 1.00 0.00 C ATOM 559 CD LYS C 37 -3.769 0.547 11.561 1.00 0.00 C ATOM 560 CE LYS C 37 -4.753 -0.576 11.841 1.00 0.00 C ATOM 561 NZ LYS C 37 -4.700 -1.015 13.258 1.00 0.00 N1+ ATOM 0 H LYS C 37 -4.150 1.625 7.305 1.00 0.00 H new ATOM 0 HA LYS C 37 -1.873 3.204 8.273 1.00 0.00 H new ATOM 0 HB2 LYS C 37 -1.844 1.827 10.350 1.00 0.00 H new ATOM 0 HB3 LYS C 37 -3.149 2.994 10.278 1.00 0.00 H new ATOM 0 HG2 LYS C 37 -4.782 1.296 9.828 1.00 0.00 H new ATOM 0 HG3 LYS C 37 -3.553 0.098 9.477 1.00 0.00 H new ATOM 0 HD2 LYS C 37 -2.765 0.227 11.838 1.00 0.00 H new ATOM 0 HD3 LYS C 37 -4.013 1.407 12.184 1.00 0.00 H new ATOM 0 HE2 LYS C 37 -5.763 -0.243 11.601 1.00 0.00 H new ATOM 0 HE3 LYS C 37 -4.534 -1.422 11.190 1.00 0.00 H new ATOM 0 HZ1 LYS C 37 -5.386 -1.782 13.410 1.00 0.00 H new ATOM 0 HZ2 LYS C 37 -3.743 -1.357 13.480 1.00 0.00 H new ATOM 0 HZ3 LYS C 37 -4.934 -0.214 13.879 1.00 0.00 H new ATOM 575 N ALA C 38 -0.682 1.414 7.062 1.00 0.00 N ATOM 576 CA ALA C 38 0.218 0.394 6.589 1.00 0.00 C ATOM 577 C ALA C 38 1.437 0.366 7.486 1.00 0.00 C ATOM 578 O ALA C 38 2.040 1.405 7.756 1.00 0.00 O ATOM 579 CB ALA C 38 0.609 0.650 5.141 1.00 0.00 C ATOM 0 H ALA C 38 -0.423 2.363 6.794 1.00 0.00 H new ATOM 0 HA ALA C 38 -0.277 -0.577 6.624 1.00 0.00 H new ATOM 0 HB1 ALA C 38 1.289 -0.132 4.804 1.00 0.00 H new ATOM 0 HB2 ALA C 38 -0.285 0.647 4.517 1.00 0.00 H new ATOM 0 HB3 ALA C 38 1.103 1.618 5.063 1.00 0.00 H new ATOM 585 N THR C 39 1.789 -0.809 7.971 1.00 0.00 N ATOM 586 CA THR C 39 2.895 -0.919 8.896 1.00 0.00 C ATOM 587 C THR C 39 4.147 -1.279 8.163 1.00 0.00 C ATOM 588 O THR C 39 4.184 -2.220 7.373 1.00 0.00 O ATOM 589 CB THR C 39 2.629 -1.954 9.988 1.00 0.00 C ATOM 590 OG1 THR C 39 1.287 -1.794 10.399 1.00 0.00 O ATOM 591 CG2 THR C 39 3.557 -1.753 11.177 1.00 0.00 C ATOM 0 H THR C 39 1.330 -1.691 7.742 1.00 0.00 H new ATOM 0 HA THR C 39 3.012 0.053 9.375 1.00 0.00 H new ATOM 0 HB THR C 39 2.809 -2.956 9.600 1.00 0.00 H new ATOM 0 HG1 THR C 39 1.080 -2.446 11.101 1.00 0.00 H new ATOM 0 HG21 THR C 39 3.343 -2.505 11.937 1.00 0.00 H new ATOM 0 HG22 THR C 39 4.592 -1.851 10.851 1.00 0.00 H new ATOM 0 HG23 THR C 39 3.401 -0.759 11.596 1.00 0.00 H new ATOM 599 N SER C 40 5.159 -0.516 8.443 1.00 0.00 N ATOM 600 CA SER C 40 6.430 -0.665 7.776 1.00 0.00 C ATOM 601 C SER C 40 7.432 -1.277 8.723 1.00 0.00 C ATOM 602 O SER C 40 7.738 -0.715 9.775 1.00 0.00 O ATOM 603 CB SER C 40 6.916 0.685 7.261 1.00 0.00 C ATOM 604 OG SER C 40 7.000 1.635 8.311 1.00 0.00 O ATOM 0 H SER C 40 5.134 0.229 9.139 1.00 0.00 H new ATOM 0 HA SER C 40 6.313 -1.329 6.919 1.00 0.00 H new ATOM 0 HB2 SER C 40 7.894 0.568 6.794 1.00 0.00 H new ATOM 0 HB3 SER C 40 6.236 1.049 6.491 1.00 0.00 H new ATOM 0 HG SER C 40 7.221 1.178 9.149 1.00 0.00 H new ATOM 610 N SER C 41 7.927 -2.437 8.353 1.00 0.00 N ATOM 611 CA SER C 41 8.823 -3.175 9.205 1.00 0.00 C ATOM 612 C SER C 41 10.147 -3.424 8.506 1.00 0.00 C ATOM 613 O SER C 41 10.324 -3.036 7.344 1.00 0.00 O ATOM 614 CB SER C 41 8.161 -4.484 9.632 1.00 0.00 C ATOM 615 OG SER C 41 6.885 -4.237 10.201 1.00 0.00 O ATOM 0 H SER C 41 7.721 -2.889 7.462 1.00 0.00 H new ATOM 0 HA SER C 41 9.035 -2.587 10.098 1.00 0.00 H new ATOM 0 HB2 SER C 41 8.059 -5.144 8.771 1.00 0.00 H new ATOM 0 HB3 SER C 41 8.794 -4.999 10.355 1.00 0.00 H new ATOM 0 HG SER C 41 6.475 -5.087 10.467 1.00 0.00 H new ATOM 621 N ASN C 42 11.054 -4.087 9.222 1.00 0.00 N ATOM 622 CA ASN C 42 12.444 -4.236 8.810 1.00 0.00 C ATOM 623 C ASN C 42 13.124 -2.883 8.832 1.00 0.00 C ATOM 624 O ASN C 42 13.863 -2.523 7.915 1.00 0.00 O ATOM 625 CB ASN C 42 12.574 -4.882 7.431 1.00 0.00 C ATOM 626 CG ASN C 42 13.557 -6.030 7.439 1.00 0.00 C ATOM 627 OD1 ASN C 42 13.193 -7.164 7.740 1.00 0.00 O ATOM 628 ND2 ASN C 42 14.808 -5.746 7.113 1.00 0.00 N ATOM 0 H ASN C 42 10.840 -4.539 10.111 1.00 0.00 H new ATOM 0 HA ASN C 42 12.934 -4.905 9.517 1.00 0.00 H new ATOM 0 HB2 ASN C 42 11.598 -5.241 7.105 1.00 0.00 H new ATOM 0 HB3 ASN C 42 12.896 -4.133 6.708 1.00 0.00 H new ATOM 0 HD21 ASN C 42 15.513 -6.483 7.105 1.00 0.00 H new ATOM 0 HD22 ASN C 42 15.067 -4.790 6.870 1.00 0.00 H new ATOM 635 N ALA C 43 12.822 -2.131 9.889 1.00 0.00 N ATOM 636 CA ALA C 43 13.415 -0.824 10.135 1.00 0.00 C ATOM 637 C ALA C 43 13.100 0.165 9.018 1.00 0.00 C ATOM 638 O ALA C 43 13.865 1.094 8.761 1.00 0.00 O ATOM 639 CB ALA C 43 14.909 -0.960 10.337 1.00 0.00 C ATOM 0 H ALA C 43 12.152 -2.417 10.603 1.00 0.00 H new ATOM 0 HA ALA C 43 12.972 -0.422 11.046 1.00 0.00 H new ATOM 0 HB1 ALA C 43 15.342 0.023 10.520 1.00 0.00 H new ATOM 0 HB2 ALA C 43 15.103 -1.607 11.192 1.00 0.00 H new ATOM 0 HB3 ALA C 43 15.359 -1.394 9.444 1.00 0.00 H new ATOM 645 N GLY C 44 11.973 -0.050 8.355 1.00 0.00 N ATOM 646 CA GLY C 44 11.509 0.877 7.343 1.00 0.00 C ATOM 647 C GLY C 44 12.374 0.899 6.098 1.00 0.00 C ATOM 648 O GLY C 44 12.321 1.856 5.328 1.00 0.00 O ATOM 0 H GLY C 44 11.367 -0.857 8.502 1.00 0.00 H new ATOM 0 HA2 GLY C 44 10.489 0.615 7.062 1.00 0.00 H new ATOM 0 HA3 GLY C 44 11.474 1.880 7.769 1.00 0.00 H new ATOM 652 N TYR C 45 13.173 -0.145 5.894 1.00 0.00 N ATOM 653 CA TYR C 45 13.993 -0.248 4.691 1.00 0.00 C ATOM 654 C TYR C 45 13.129 -0.524 3.468 1.00 0.00 C ATOM 655 O TYR C 45 11.906 -0.596 3.571 1.00 0.00 O ATOM 656 CB TYR C 45 15.058 -1.339 4.832 1.00 0.00 C ATOM 657 CG TYR C 45 16.295 -0.891 5.586 1.00 0.00 C ATOM 658 CD1 TYR C 45 17.386 -0.353 4.912 1.00 0.00 C ATOM 659 CD2 TYR C 45 16.373 -1.006 6.967 1.00 0.00 C ATOM 660 CE1 TYR C 45 18.516 0.053 5.593 1.00 0.00 C ATOM 661 CE2 TYR C 45 17.500 -0.601 7.654 1.00 0.00 C ATOM 662 CZ TYR C 45 18.568 -0.074 6.964 1.00 0.00 C ATOM 663 OH TYR C 45 19.694 0.327 7.648 1.00 0.00 O ATOM 0 H TYR C 45 13.270 -0.927 6.542 1.00 0.00 H new ATOM 0 HA TYR C 45 14.497 0.709 4.559 1.00 0.00 H new ATOM 0 HB2 TYR C 45 14.621 -2.196 5.345 1.00 0.00 H new ATOM 0 HB3 TYR C 45 15.352 -1.678 3.839 1.00 0.00 H new ATOM 0 HD1 TYR C 45 17.349 -0.251 3.837 1.00 0.00 H new ATOM 0 HD2 TYR C 45 15.538 -1.419 7.513 1.00 0.00 H new ATOM 0 HE1 TYR C 45 19.355 0.468 5.054 1.00 0.00 H new ATOM 0 HE2 TYR C 45 17.543 -0.697 8.729 1.00 0.00 H new ATOM 0 HH TYR C 45 19.567 0.170 8.607 1.00 0.00 H new ATOM 673 N GLY C 46 13.765 -0.670 2.317 1.00 0.00 N ATOM 674 CA GLY C 46 13.031 -0.891 1.091 1.00 0.00 C ATOM 675 C GLY C 46 13.006 -2.350 0.674 1.00 0.00 C ATOM 676 O GLY C 46 13.152 -3.241 1.510 1.00 0.00 O ATOM 0 H GLY C 46 14.779 -0.639 2.210 1.00 0.00 H new ATOM 0 HA2 GLY C 46 12.008 -0.536 1.217 1.00 0.00 H new ATOM 0 HA3 GLY C 46 13.478 -0.298 0.293 1.00 0.00 H new ATOM 680 N ILE C 47 12.837 -2.577 -0.630 1.00 0.00 N ATOM 681 CA ILE C 47 12.724 -3.920 -1.212 1.00 0.00 C ATOM 682 C ILE C 47 13.828 -4.843 -0.765 1.00 0.00 C ATOM 683 O ILE C 47 13.574 -5.839 -0.098 1.00 0.00 O ATOM 684 CB ILE C 47 12.843 -3.874 -2.732 1.00 0.00 C ATOM 685 CG1 ILE C 47 11.891 -2.857 -3.316 1.00 0.00 C ATOM 686 CG2 ILE C 47 12.582 -5.249 -3.334 1.00 0.00 C ATOM 687 CD1 ILE C 47 12.224 -2.486 -4.732 1.00 0.00 C ATOM 0 H ILE C 47 12.774 -1.828 -1.320 1.00 0.00 H new ATOM 0 HA ILE C 47 11.752 -4.284 -0.880 1.00 0.00 H new ATOM 0 HB ILE C 47 13.861 -3.574 -2.981 1.00 0.00 H new ATOM 0 HG12 ILE C 47 10.877 -3.254 -3.279 1.00 0.00 H new ATOM 0 HG13 ILE C 47 11.904 -1.959 -2.698 1.00 0.00 H new ATOM 0 HG21 ILE C 47 12.672 -5.194 -4.419 1.00 0.00 H new ATOM 0 HG22 ILE C 47 13.310 -5.961 -2.945 1.00 0.00 H new ATOM 0 HG23 ILE C 47 11.577 -5.577 -3.069 1.00 0.00 H new ATOM 0 HD11 ILE C 47 11.504 -1.752 -5.095 1.00 0.00 H new ATOM 0 HD12 ILE C 47 13.227 -2.060 -4.770 1.00 0.00 H new ATOM 0 HD13 ILE C 47 12.183 -3.376 -5.360 1.00 0.00 H new ATOM 699 N SER C 48 15.037 -4.516 -1.202 1.00 0.00 N ATOM 700 CA SER C 48 16.206 -5.327 -0.950 1.00 0.00 C ATOM 701 C SER C 48 17.397 -4.768 -1.728 1.00 0.00 C ATOM 702 O SER C 48 18.310 -4.184 -1.140 1.00 0.00 O ATOM 703 CB SER C 48 15.948 -6.792 -1.335 1.00 0.00 C ATOM 704 OG SER C 48 17.017 -7.638 -0.940 1.00 0.00 O ATOM 0 H SER C 48 15.228 -3.674 -1.744 1.00 0.00 H new ATOM 0 HA SER C 48 16.432 -5.297 0.116 1.00 0.00 H new ATOM 0 HB2 SER C 48 15.024 -7.133 -0.869 1.00 0.00 H new ATOM 0 HB3 SER C 48 15.807 -6.865 -2.413 1.00 0.00 H new ATOM 0 HG SER C 48 16.817 -8.561 -1.200 1.00 0.00 H new ATOM 710 N TYR C 49 17.366 -4.922 -3.052 1.00 0.00 N ATOM 711 CA TYR C 49 18.448 -4.445 -3.906 1.00 0.00 C ATOM 712 C TYR C 49 17.941 -4.198 -5.335 1.00 0.00 C ATOM 713 O TYR C 49 18.540 -4.654 -6.312 1.00 0.00 O ATOM 714 CB TYR C 49 19.593 -5.467 -3.909 1.00 0.00 C ATOM 715 CG TYR C 49 20.900 -4.941 -4.488 1.00 0.00 C ATOM 716 CD1 TYR C 49 21.454 -5.479 -5.654 1.00 0.00 C ATOM 717 CD2 TYR C 49 21.585 -3.898 -3.864 1.00 0.00 C ATOM 718 CE1 TYR C 49 22.640 -4.995 -6.169 1.00 0.00 C ATOM 719 CE2 TYR C 49 22.770 -3.414 -4.380 1.00 0.00 C ATOM 720 CZ TYR C 49 23.292 -3.965 -5.530 1.00 0.00 C ATOM 721 OH TYR C 49 24.479 -3.487 -6.038 1.00 0.00 O ATOM 0 H TYR C 49 16.602 -5.374 -3.554 1.00 0.00 H new ATOM 0 HA TYR C 49 18.818 -3.499 -3.512 1.00 0.00 H new ATOM 0 HB2 TYR C 49 19.770 -5.800 -2.886 1.00 0.00 H new ATOM 0 HB3 TYR C 49 19.282 -6.342 -4.480 1.00 0.00 H new ATOM 0 HD1 TYR C 49 20.946 -6.286 -6.160 1.00 0.00 H new ATOM 0 HD2 TYR C 49 21.181 -3.462 -2.962 1.00 0.00 H new ATOM 0 HE1 TYR C 49 23.055 -5.423 -7.070 1.00 0.00 H new ATOM 0 HE2 TYR C 49 23.287 -2.606 -3.884 1.00 0.00 H new ATOM 0 HH TYR C 49 24.809 -2.760 -5.470 1.00 0.00 H new ATOM 731 N GLU C 50 16.832 -3.475 -5.447 1.00 0.00 N ATOM 732 CA GLU C 50 16.221 -3.180 -6.744 1.00 0.00 C ATOM 733 C GLU C 50 15.145 -2.130 -6.573 1.00 0.00 C ATOM 734 O GLU C 50 14.932 -1.645 -5.469 1.00 0.00 O ATOM 735 CB GLU C 50 15.625 -4.454 -7.362 1.00 0.00 C ATOM 736 CG GLU C 50 14.488 -5.056 -6.548 1.00 0.00 C ATOM 737 CD GLU C 50 13.996 -6.375 -7.110 1.00 0.00 C ATOM 738 OE1 GLU C 50 13.121 -6.363 -8.003 1.00 0.00 O ATOM 739 OE2 GLU C 50 14.475 -7.437 -6.657 1.00 0.00 O1- ATOM 0 H GLU C 50 16.333 -3.079 -4.651 1.00 0.00 H new ATOM 0 HA GLU C 50 16.990 -2.800 -7.417 1.00 0.00 H new ATOM 0 HB2 GLU C 50 15.261 -4.225 -8.364 1.00 0.00 H new ATOM 0 HB3 GLU C 50 16.415 -5.197 -7.472 1.00 0.00 H new ATOM 0 HG2 GLU C 50 14.822 -5.206 -5.521 1.00 0.00 H new ATOM 0 HG3 GLU C 50 13.659 -4.349 -6.513 1.00 0.00 H new ATOM 746 N ASP C 51 14.478 -1.775 -7.661 1.00 0.00 N ATOM 747 CA ASP C 51 13.403 -0.791 -7.611 1.00 0.00 C ATOM 748 C ASP C 51 12.150 -1.328 -8.286 1.00 0.00 C ATOM 749 O ASP C 51 12.195 -1.795 -9.422 1.00 0.00 O ATOM 750 CB ASP C 51 13.824 0.535 -8.265 1.00 0.00 C ATOM 751 CG ASP C 51 14.051 0.435 -9.762 1.00 0.00 C ATOM 752 OD1 ASP C 51 13.249 1.003 -10.529 1.00 0.00 O ATOM 753 OD2 ASP C 51 15.042 -0.199 -10.179 1.00 0.00 O1- ATOM 0 H ASP C 51 14.661 -2.153 -8.591 1.00 0.00 H new ATOM 0 HA ASP C 51 13.185 -0.599 -6.560 1.00 0.00 H new ATOM 0 HB2 ASP C 51 13.056 1.284 -8.073 1.00 0.00 H new ATOM 0 HB3 ASP C 51 14.740 0.888 -7.791 1.00 0.00 H new ATOM 758 N LYS C 52 11.038 -1.293 -7.568 1.00 0.00 N ATOM 759 CA LYS C 52 9.760 -1.676 -8.144 1.00 0.00 C ATOM 760 C LYS C 52 8.952 -0.431 -8.417 1.00 0.00 C ATOM 761 O LYS C 52 9.175 0.615 -7.804 1.00 0.00 O ATOM 762 CB LYS C 52 8.944 -2.588 -7.220 1.00 0.00 C ATOM 763 CG LYS C 52 9.744 -3.677 -6.540 1.00 0.00 C ATOM 764 CD LYS C 52 10.579 -4.497 -7.512 1.00 0.00 C ATOM 765 CE LYS C 52 9.730 -5.439 -8.345 1.00 0.00 C ATOM 766 NZ LYS C 52 10.561 -6.247 -9.273 1.00 0.00 N1+ ATOM 0 H LYS C 52 10.995 -1.005 -6.591 1.00 0.00 H new ATOM 0 HA LYS C 52 9.971 -2.229 -9.060 1.00 0.00 H new ATOM 0 HB2 LYS C 52 8.467 -1.975 -6.455 1.00 0.00 H new ATOM 0 HB3 LYS C 52 8.146 -3.051 -7.801 1.00 0.00 H new ATOM 0 HG2 LYS C 52 10.401 -3.227 -5.796 1.00 0.00 H new ATOM 0 HG3 LYS C 52 9.064 -4.340 -6.005 1.00 0.00 H new ATOM 0 HD2 LYS C 52 11.128 -3.826 -8.172 1.00 0.00 H new ATOM 0 HD3 LYS C 52 11.319 -5.073 -6.956 1.00 0.00 H new ATOM 0 HE2 LYS C 52 9.169 -6.102 -7.687 1.00 0.00 H new ATOM 0 HE3 LYS C 52 9.001 -4.864 -8.916 1.00 0.00 H new ATOM 0 HZ1 LYS C 52 10.139 -7.191 -9.385 1.00 0.00 H new ATOM 0 HZ2 LYS C 52 10.605 -5.776 -10.199 1.00 0.00 H new ATOM 0 HZ3 LYS C 52 11.522 -6.341 -8.886 1.00 0.00 H new ATOM 780 N ASN C 53 8.014 -0.556 -9.322 1.00 0.00 N ATOM 781 CA ASN C 53 7.116 0.541 -9.646 1.00 0.00 C ATOM 782 C ASN C 53 5.802 0.373 -8.905 1.00 0.00 C ATOM 783 O ASN C 53 4.954 -0.431 -9.283 1.00 0.00 O ATOM 784 CB ASN C 53 6.882 0.652 -11.155 1.00 0.00 C ATOM 785 CG ASN C 53 6.833 -0.692 -11.846 1.00 0.00 C ATOM 786 OD1 ASN C 53 5.674 -1.316 -11.845 1.00 0.00 O flip ATOM 787 ND2 ASN C 53 7.840 -1.174 -12.361 1.00 0.00 N flip ATOM 0 H ASN C 53 7.846 -1.410 -9.854 1.00 0.00 H new ATOM 0 HA ASN C 53 7.586 1.470 -9.324 1.00 0.00 H new ATOM 0 HB2 ASN C 53 5.946 1.181 -11.334 1.00 0.00 H new ATOM 0 HB3 ASN C 53 7.677 1.253 -11.597 1.00 0.00 H new ATOM 0 HD21 ASN C 53 8.720 -0.658 -12.341 1.00 0.00 H new ATOM 0 HD22 ASN C 53 7.796 -2.089 -12.809 1.00 0.00 H new ATOM 794 N TRP C 54 5.667 1.127 -7.833 1.00 0.00 N ATOM 795 CA TRP C 54 4.532 1.027 -6.936 1.00 0.00 C ATOM 796 C TRP C 54 3.483 2.077 -7.252 1.00 0.00 C ATOM 797 O TRP C 54 3.765 3.019 -7.982 1.00 0.00 O ATOM 798 CB TRP C 54 5.024 1.258 -5.530 1.00 0.00 C ATOM 799 CG TRP C 54 4.661 0.188 -4.577 1.00 0.00 C ATOM 800 CD1 TRP C 54 5.403 -0.890 -4.227 1.00 0.00 C ATOM 801 CD2 TRP C 54 3.462 0.117 -3.840 1.00 0.00 C ATOM 802 NE1 TRP C 54 4.728 -1.635 -3.286 1.00 0.00 N ATOM 803 CE2 TRP C 54 3.521 -1.024 -3.032 1.00 0.00 C ATOM 804 CE3 TRP C 54 2.345 0.931 -3.790 1.00 0.00 C ATOM 805 CZ2 TRP C 54 2.479 -1.367 -2.172 1.00 0.00 C ATOM 806 CZ3 TRP C 54 1.325 0.601 -2.953 1.00 0.00 C ATOM 807 CH2 TRP C 54 1.393 -0.543 -2.145 1.00 0.00 C ATOM 0 H TRP C 54 6.349 1.834 -7.557 1.00 0.00 H new ATOM 0 HA TRP C 54 4.081 0.041 -7.050 1.00 0.00 H new ATOM 0 HB2 TRP C 54 6.109 1.359 -5.549 1.00 0.00 H new ATOM 0 HB3 TRP C 54 4.622 2.204 -5.167 1.00 0.00 H new ATOM 0 HD1 TRP C 54 6.378 -1.129 -4.626 1.00 0.00 H new ATOM 0 HE1 TRP C 54 5.065 -2.494 -2.851 1.00 0.00 H new ATOM 0 HE3 TRP C 54 2.284 1.816 -4.406 1.00 0.00 H new ATOM 0 HZ2 TRP C 54 2.530 -2.250 -1.552 1.00 0.00 H new ATOM 0 HZ3 TRP C 54 0.448 1.230 -2.910 1.00 0.00 H new ATOM 0 HH2 TRP C 54 0.568 -0.776 -1.488 1.00 0.00 H new ATOM 818 N GLY C 55 2.280 1.941 -6.694 1.00 0.00 N ATOM 819 CA GLY C 55 1.296 2.965 -6.924 1.00 0.00 C ATOM 820 C GLY C 55 0.034 2.888 -6.091 1.00 0.00 C ATOM 821 O GLY C 55 -0.256 1.890 -5.430 1.00 0.00 O ATOM 0 H GLY C 55 1.983 1.162 -6.106 1.00 0.00 H new ATOM 0 HA2 GLY C 55 1.763 3.934 -6.746 1.00 0.00 H new ATOM 0 HA3 GLY C 55 1.013 2.936 -7.976 1.00 0.00 H new ATOM 825 N ILE C 56 -0.705 3.990 -6.135 1.00 0.00 N ATOM 826 CA ILE C 56 -2.014 4.100 -5.494 1.00 0.00 C ATOM 827 C ILE C 56 -3.039 4.616 -6.500 1.00 0.00 C ATOM 828 O ILE C 56 -2.733 5.513 -7.294 1.00 0.00 O ATOM 829 CB ILE C 56 -1.966 5.062 -4.286 1.00 0.00 C ATOM 830 CG1 ILE C 56 -0.798 4.685 -3.391 1.00 0.00 C ATOM 831 CG2 ILE C 56 -3.274 5.025 -3.507 1.00 0.00 C ATOM 832 CD1 ILE C 56 -0.704 5.493 -2.115 1.00 0.00 C ATOM 0 H ILE C 56 -0.413 4.839 -6.619 1.00 0.00 H new ATOM 0 HA ILE C 56 -2.299 3.109 -5.141 1.00 0.00 H new ATOM 0 HB ILE C 56 -1.828 6.081 -4.649 1.00 0.00 H new ATOM 0 HG12 ILE C 56 -0.879 3.629 -3.133 1.00 0.00 H new ATOM 0 HG13 ILE C 56 0.128 4.806 -3.953 1.00 0.00 H new ATOM 0 HG21 ILE C 56 -3.214 5.711 -2.662 1.00 0.00 H new ATOM 0 HG22 ILE C 56 -4.095 5.324 -4.159 1.00 0.00 H new ATOM 0 HG23 ILE C 56 -3.451 4.014 -3.141 1.00 0.00 H new ATOM 0 HD11 ILE C 56 0.157 5.159 -1.536 1.00 0.00 H new ATOM 0 HD12 ILE C 56 -0.589 6.549 -2.361 1.00 0.00 H new ATOM 0 HD13 ILE C 56 -1.612 5.354 -1.528 1.00 0.00 H new ATOM 844 N PHE C 57 -4.246 4.062 -6.472 1.00 0.00 N ATOM 845 CA PHE C 57 -5.274 4.439 -7.437 1.00 0.00 C ATOM 846 C PHE C 57 -6.620 4.683 -6.753 1.00 0.00 C ATOM 847 O PHE C 57 -7.236 3.759 -6.225 1.00 0.00 O ATOM 848 CB PHE C 57 -5.429 3.353 -8.510 1.00 0.00 C ATOM 849 CG PHE C 57 -4.128 2.934 -9.138 1.00 0.00 C ATOM 850 CD1 PHE C 57 -3.634 3.601 -10.245 1.00 0.00 C ATOM 851 CD2 PHE C 57 -3.394 1.884 -8.609 1.00 0.00 C ATOM 852 CE1 PHE C 57 -2.432 3.230 -10.814 1.00 0.00 C ATOM 853 CE2 PHE C 57 -2.193 1.506 -9.176 1.00 0.00 C ATOM 854 CZ PHE C 57 -1.712 2.181 -10.279 1.00 0.00 C ATOM 0 H PHE C 57 -4.536 3.355 -5.797 1.00 0.00 H new ATOM 0 HA PHE C 57 -4.955 5.369 -7.909 1.00 0.00 H new ATOM 0 HB2 PHE C 57 -5.905 2.480 -8.064 1.00 0.00 H new ATOM 0 HB3 PHE C 57 -6.098 3.718 -9.290 1.00 0.00 H new ATOM 0 HD1 PHE C 57 -4.195 4.421 -10.669 1.00 0.00 H new ATOM 0 HD2 PHE C 57 -3.766 1.356 -7.744 1.00 0.00 H new ATOM 0 HE1 PHE C 57 -2.056 3.760 -11.677 1.00 0.00 H new ATOM 0 HE2 PHE C 57 -1.632 0.684 -8.757 1.00 0.00 H new ATOM 0 HZ PHE C 57 -0.772 1.889 -10.724 1.00 0.00 H new ATOM 864 N VAL C 58 -7.077 5.931 -6.774 1.00 0.00 N ATOM 865 CA VAL C 58 -8.380 6.281 -6.220 1.00 0.00 C ATOM 866 C VAL C 58 -9.468 5.946 -7.231 1.00 0.00 C ATOM 867 O VAL C 58 -9.620 6.649 -8.227 1.00 0.00 O ATOM 868 CB VAL C 58 -8.484 7.783 -5.869 1.00 0.00 C ATOM 869 CG1 VAL C 58 -9.811 8.087 -5.192 1.00 0.00 C ATOM 870 CG2 VAL C 58 -7.328 8.223 -4.989 1.00 0.00 C ATOM 0 H VAL C 58 -6.563 6.718 -7.170 1.00 0.00 H new ATOM 0 HA VAL C 58 -8.505 5.706 -5.302 1.00 0.00 H new ATOM 0 HB VAL C 58 -8.433 8.346 -6.801 1.00 0.00 H new ATOM 0 HG11 VAL C 58 -9.863 9.149 -4.954 1.00 0.00 H new ATOM 0 HG12 VAL C 58 -10.630 7.825 -5.862 1.00 0.00 H new ATOM 0 HG13 VAL C 58 -9.893 7.505 -4.274 1.00 0.00 H new ATOM 0 HG21 VAL C 58 -7.429 9.284 -4.759 1.00 0.00 H new ATOM 0 HG22 VAL C 58 -7.337 7.649 -4.063 1.00 0.00 H new ATOM 0 HG23 VAL C 58 -6.387 8.053 -5.512 1.00 0.00 H new ATOM 880 N ASN C 59 -10.211 4.869 -6.978 1.00 0.00 N ATOM 881 CA ASN C 59 -11.236 4.389 -7.913 1.00 0.00 C ATOM 882 C ASN C 59 -10.599 3.971 -9.235 1.00 0.00 C ATOM 883 O ASN C 59 -11.228 4.041 -10.291 1.00 0.00 O ATOM 884 CB ASN C 59 -12.322 5.448 -8.186 1.00 0.00 C ATOM 885 CG ASN C 59 -13.157 5.811 -6.970 1.00 0.00 C ATOM 886 OD1 ASN C 59 -12.532 5.893 -5.809 1.00 0.00 O flip ATOM 887 ND2 ASN C 59 -14.361 6.039 -7.081 1.00 0.00 N flip ATOM 0 H ASN C 59 -10.124 4.308 -6.130 1.00 0.00 H new ATOM 0 HA ASN C 59 -11.713 3.530 -7.441 1.00 0.00 H new ATOM 0 HB2 ASN C 59 -11.845 6.351 -8.568 1.00 0.00 H new ATOM 0 HB3 ASN C 59 -12.983 5.080 -8.970 1.00 0.00 H new ATOM 0 HD21 ASN C 59 -14.812 5.966 -7.993 1.00 0.00 H new ATOM 0 HD22 ASN C 59 -14.908 6.301 -6.261 1.00 0.00 H new ATOM 894 N GLY C 60 -9.347 3.538 -9.168 1.00 0.00 N ATOM 895 CA GLY C 60 -8.632 3.156 -10.369 1.00 0.00 C ATOM 896 C GLY C 60 -7.984 4.341 -11.057 1.00 0.00 C ATOM 897 O GLY C 60 -7.584 4.250 -12.217 1.00 0.00 O ATOM 0 H GLY C 60 -8.814 3.445 -8.303 1.00 0.00 H new ATOM 0 HA2 GLY C 60 -7.866 2.423 -10.115 1.00 0.00 H new ATOM 0 HA3 GLY C 60 -9.321 2.670 -11.060 1.00 0.00 H new ATOM 901 N GLU C 61 -7.887 5.454 -10.341 1.00 0.00 N ATOM 902 CA GLU C 61 -7.270 6.665 -10.866 1.00 0.00 C ATOM 903 C GLU C 61 -5.915 6.894 -10.204 1.00 0.00 C ATOM 904 O GLU C 61 -5.819 6.968 -8.978 1.00 0.00 O ATOM 905 CB GLU C 61 -8.191 7.863 -10.625 1.00 0.00 C ATOM 906 CG GLU C 61 -7.642 9.186 -11.129 1.00 0.00 C ATOM 907 CD GLU C 61 -8.564 10.345 -10.812 1.00 0.00 C ATOM 908 OE1 GLU C 61 -8.415 10.953 -9.731 1.00 0.00 O ATOM 909 OE2 GLU C 61 -9.449 10.652 -11.638 1.00 0.00 O1- ATOM 0 H GLU C 61 -8.232 5.543 -9.385 1.00 0.00 H new ATOM 0 HA GLU C 61 -7.116 6.550 -11.939 1.00 0.00 H new ATOM 0 HB2 GLU C 61 -9.149 7.673 -11.109 1.00 0.00 H new ATOM 0 HB3 GLU C 61 -8.385 7.948 -9.556 1.00 0.00 H new ATOM 0 HG2 GLU C 61 -6.666 9.367 -10.680 1.00 0.00 H new ATOM 0 HG3 GLU C 61 -7.491 9.128 -12.207 1.00 0.00 H new ATOM 916 N LYS C 62 -4.879 6.995 -11.024 1.00 0.00 N ATOM 917 CA LYS C 62 -3.506 7.135 -10.547 1.00 0.00 C ATOM 918 C LYS C 62 -3.315 8.417 -9.734 1.00 0.00 C ATOM 919 O LYS C 62 -3.232 9.518 -10.282 1.00 0.00 O ATOM 920 CB LYS C 62 -2.550 7.102 -11.744 1.00 0.00 C ATOM 921 CG LYS C 62 -1.076 7.118 -11.376 1.00 0.00 C ATOM 922 CD LYS C 62 -0.207 6.881 -12.601 1.00 0.00 C ATOM 923 CE LYS C 62 1.274 6.950 -12.267 1.00 0.00 C ATOM 924 NZ LYS C 62 2.127 6.663 -13.450 1.00 0.00 N1+ ATOM 0 H LYS C 62 -4.964 6.982 -12.040 1.00 0.00 H new ATOM 0 HA LYS C 62 -3.284 6.302 -9.880 1.00 0.00 H new ATOM 0 HB2 LYS C 62 -2.755 6.207 -12.331 1.00 0.00 H new ATOM 0 HB3 LYS C 62 -2.761 7.959 -12.384 1.00 0.00 H new ATOM 0 HG2 LYS C 62 -0.821 8.076 -10.924 1.00 0.00 H new ATOM 0 HG3 LYS C 62 -0.875 6.350 -10.629 1.00 0.00 H new ATOM 0 HD2 LYS C 62 -0.438 5.904 -13.027 1.00 0.00 H new ATOM 0 HD3 LYS C 62 -0.442 7.624 -13.363 1.00 0.00 H new ATOM 0 HE2 LYS C 62 1.512 7.941 -11.880 1.00 0.00 H new ATOM 0 HE3 LYS C 62 1.500 6.236 -11.475 1.00 0.00 H new ATOM 0 HZ1 LYS C 62 3.129 6.721 -13.178 1.00 0.00 H new ATOM 0 HZ2 LYS C 62 1.919 5.708 -13.804 1.00 0.00 H new ATOM 0 HZ3 LYS C 62 1.931 7.360 -14.197 1.00 0.00 H new ATOM 938 N VAL C 63 -3.258 8.259 -8.417 1.00 0.00 N ATOM 939 CA VAL C 63 -3.036 9.381 -7.513 1.00 0.00 C ATOM 940 C VAL C 63 -1.567 9.477 -7.122 1.00 0.00 C ATOM 941 O VAL C 63 -0.932 10.518 -7.289 1.00 0.00 O ATOM 942 CB VAL C 63 -3.914 9.278 -6.233 1.00 0.00 C ATOM 943 CG1 VAL C 63 -4.007 7.842 -5.746 1.00 0.00 C ATOM 944 CG2 VAL C 63 -3.364 10.158 -5.118 1.00 0.00 C ATOM 0 H VAL C 63 -3.363 7.359 -7.949 1.00 0.00 H new ATOM 0 HA VAL C 63 -3.326 10.284 -8.050 1.00 0.00 H new ATOM 0 HB VAL C 63 -4.912 9.626 -6.498 1.00 0.00 H new ATOM 0 HG11 VAL C 63 -4.627 7.801 -4.850 1.00 0.00 H new ATOM 0 HG12 VAL C 63 -4.452 7.222 -6.524 1.00 0.00 H new ATOM 0 HG13 VAL C 63 -3.009 7.471 -5.514 1.00 0.00 H new ATOM 0 HG21 VAL C 63 -3.998 10.066 -4.236 1.00 0.00 H new ATOM 0 HG22 VAL C 63 -2.350 9.842 -4.871 1.00 0.00 H new ATOM 0 HG23 VAL C 63 -3.350 11.197 -5.448 1.00 0.00 H new ATOM 954 N TYR C 64 -1.024 8.381 -6.628 1.00 0.00 N ATOM 955 CA TYR C 64 0.322 8.379 -6.096 1.00 0.00 C ATOM 956 C TYR C 64 1.105 7.225 -6.694 1.00 0.00 C ATOM 957 O TYR C 64 0.533 6.196 -7.047 1.00 0.00 O ATOM 958 CB TYR C 64 0.272 8.267 -4.567 1.00 0.00 C ATOM 959 CG TYR C 64 1.598 8.494 -3.875 1.00 0.00 C ATOM 960 CD1 TYR C 64 2.381 7.425 -3.461 1.00 0.00 C ATOM 961 CD2 TYR C 64 2.063 9.780 -3.630 1.00 0.00 C ATOM 962 CE1 TYR C 64 3.590 7.631 -2.826 1.00 0.00 C ATOM 963 CE2 TYR C 64 3.271 9.993 -2.996 1.00 0.00 C ATOM 964 CZ TYR C 64 4.031 8.915 -2.598 1.00 0.00 C ATOM 965 OH TYR C 64 5.234 9.123 -1.966 1.00 0.00 O ATOM 0 H TYR C 64 -1.497 7.479 -6.585 1.00 0.00 H new ATOM 0 HA TYR C 64 0.822 9.311 -6.359 1.00 0.00 H new ATOM 0 HB2 TYR C 64 -0.450 8.990 -4.186 1.00 0.00 H new ATOM 0 HB3 TYR C 64 -0.097 7.277 -4.300 1.00 0.00 H new ATOM 0 HD1 TYR C 64 2.039 6.416 -3.638 1.00 0.00 H new ATOM 0 HD2 TYR C 64 1.470 10.627 -3.941 1.00 0.00 H new ATOM 0 HE1 TYR C 64 4.187 6.788 -2.510 1.00 0.00 H new ATOM 0 HE2 TYR C 64 3.618 10.999 -2.813 1.00 0.00 H new ATOM 0 HH TYR C 64 5.398 10.086 -1.884 1.00 0.00 H new ATOM 975 N THR C 65 2.399 7.410 -6.841 1.00 0.00 N ATOM 976 CA THR C 65 3.266 6.378 -7.371 1.00 0.00 C ATOM 977 C THR C 65 4.658 6.527 -6.761 1.00 0.00 C ATOM 978 O THR C 65 5.147 7.646 -6.610 1.00 0.00 O ATOM 979 CB THR C 65 3.347 6.477 -8.910 1.00 0.00 C ATOM 980 OG1 THR C 65 2.049 6.252 -9.472 1.00 0.00 O ATOM 981 CG2 THR C 65 4.340 5.481 -9.495 1.00 0.00 C ATOM 0 H THR C 65 2.879 8.276 -6.598 1.00 0.00 H new ATOM 0 HA THR C 65 2.858 5.401 -7.113 1.00 0.00 H new ATOM 0 HB THR C 65 3.698 7.478 -9.162 1.00 0.00 H new ATOM 0 HG1 THR C 65 1.931 5.296 -9.651 1.00 0.00 H new ATOM 0 HG21 THR C 65 4.364 5.586 -10.580 1.00 0.00 H new ATOM 0 HG22 THR C 65 5.333 5.676 -9.089 1.00 0.00 H new ATOM 0 HG23 THR C 65 4.034 4.467 -9.235 1.00 0.00 H new ATOM 989 N PHE C 66 5.286 5.417 -6.391 1.00 0.00 N ATOM 990 CA PHE C 66 6.604 5.473 -5.770 1.00 0.00 C ATOM 991 C PHE C 66 7.398 4.210 -6.080 1.00 0.00 C ATOM 992 O PHE C 66 6.957 3.367 -6.861 1.00 0.00 O ATOM 993 CB PHE C 66 6.481 5.689 -4.248 1.00 0.00 C ATOM 994 CG PHE C 66 5.922 4.531 -3.467 1.00 0.00 C ATOM 995 CD1 PHE C 66 6.770 3.603 -2.882 1.00 0.00 C ATOM 996 CD2 PHE C 66 4.556 4.390 -3.288 1.00 0.00 C ATOM 997 CE1 PHE C 66 6.268 2.555 -2.136 1.00 0.00 C ATOM 998 CE2 PHE C 66 4.048 3.343 -2.546 1.00 0.00 C ATOM 999 CZ PHE C 66 4.906 2.426 -1.967 1.00 0.00 C ATOM 0 H PHE C 66 4.909 4.477 -6.508 1.00 0.00 H new ATOM 0 HA PHE C 66 7.144 6.322 -6.188 1.00 0.00 H new ATOM 0 HB2 PHE C 66 7.468 5.927 -3.853 1.00 0.00 H new ATOM 0 HB3 PHE C 66 5.849 6.560 -4.073 1.00 0.00 H new ATOM 0 HD1 PHE C 66 7.838 3.701 -3.012 1.00 0.00 H new ATOM 0 HD2 PHE C 66 3.882 5.106 -3.733 1.00 0.00 H new ATOM 0 HE1 PHE C 66 6.940 1.839 -1.687 1.00 0.00 H new ATOM 0 HE2 PHE C 66 2.981 3.240 -2.418 1.00 0.00 H new ATOM 0 HZ PHE C 66 4.509 1.609 -1.383 1.00 0.00 H new ATOM 1009 N ASN C 67 8.577 4.094 -5.488 1.00 0.00 N ATOM 1010 CA ASN C 67 9.417 2.922 -5.684 1.00 0.00 C ATOM 1011 C ASN C 67 9.605 2.196 -4.364 1.00 0.00 C ATOM 1012 O ASN C 67 9.893 2.814 -3.344 1.00 0.00 O ATOM 1013 CB ASN C 67 10.774 3.316 -6.270 1.00 0.00 C ATOM 1014 CG ASN C 67 10.654 4.005 -7.615 1.00 0.00 C ATOM 1015 OD1 ASN C 67 10.578 5.232 -7.696 1.00 0.00 O ATOM 1016 ND2 ASN C 67 10.620 3.224 -8.679 1.00 0.00 N ATOM 0 H ASN C 67 8.974 4.799 -4.867 1.00 0.00 H new ATOM 0 HA ASN C 67 8.923 2.256 -6.391 1.00 0.00 H new ATOM 0 HB2 ASN C 67 11.288 3.977 -5.572 1.00 0.00 H new ATOM 0 HB3 ASN C 67 11.391 2.424 -6.377 1.00 0.00 H new ATOM 0 HD21 ASN C 67 10.528 3.633 -9.609 1.00 0.00 H new ATOM 0 HD22 ASN C 67 10.686 2.212 -8.571 1.00 0.00 H new ATOM 1023 N GLU C 68 9.456 0.880 -4.402 1.00 0.00 N ATOM 1024 CA GLU C 68 9.418 0.059 -3.204 1.00 0.00 C ATOM 1025 C GLU C 68 10.763 0.038 -2.466 1.00 0.00 C ATOM 1026 O GLU C 68 10.839 -0.404 -1.323 1.00 0.00 O ATOM 1027 CB GLU C 68 8.993 -1.359 -3.599 1.00 0.00 C ATOM 1028 CG GLU C 68 8.546 -2.215 -2.435 1.00 0.00 C ATOM 1029 CD GLU C 68 8.173 -3.633 -2.835 1.00 0.00 C ATOM 1030 OE1 GLU C 68 7.058 -3.840 -3.369 1.00 0.00 O ATOM 1031 OE2 GLU C 68 8.989 -4.552 -2.605 1.00 0.00 O1- ATOM 0 H GLU C 68 9.358 0.351 -5.269 1.00 0.00 H new ATOM 0 HA GLU C 68 8.697 0.491 -2.510 1.00 0.00 H new ATOM 0 HB2 GLU C 68 8.180 -1.295 -4.323 1.00 0.00 H new ATOM 0 HB3 GLU C 68 9.827 -1.851 -4.099 1.00 0.00 H new ATOM 0 HG2 GLU C 68 9.345 -2.253 -1.694 1.00 0.00 H new ATOM 0 HG3 GLU C 68 7.688 -1.743 -1.955 1.00 0.00 H new ATOM 1038 N LYS C 69 11.829 0.504 -3.114 1.00 0.00 N ATOM 1039 CA LYS C 69 13.139 0.523 -2.470 1.00 0.00 C ATOM 1040 C LYS C 69 13.300 1.763 -1.621 1.00 0.00 C ATOM 1041 O LYS C 69 14.182 1.822 -0.763 1.00 0.00 O ATOM 1042 CB LYS C 69 14.275 0.445 -3.479 1.00 0.00 C ATOM 1043 CG LYS C 69 14.320 1.599 -4.454 1.00 0.00 C ATOM 1044 CD LYS C 69 15.421 1.381 -5.485 1.00 0.00 C ATOM 1045 CE LYS C 69 16.797 1.707 -4.923 1.00 0.00 C ATOM 1046 NZ LYS C 69 16.959 3.159 -4.646 1.00 0.00 N1+ ATOM 0 H LYS C 69 11.813 0.867 -4.067 1.00 0.00 H new ATOM 0 HA LYS C 69 13.191 -0.362 -1.835 1.00 0.00 H new ATOM 0 HB2 LYS C 69 15.222 0.402 -2.940 1.00 0.00 H new ATOM 0 HB3 LYS C 69 14.185 -0.486 -4.039 1.00 0.00 H new ATOM 0 HG2 LYS C 69 13.357 1.697 -4.956 1.00 0.00 H new ATOM 0 HG3 LYS C 69 14.496 2.531 -3.917 1.00 0.00 H new ATOM 0 HD2 LYS C 69 15.403 0.345 -5.822 1.00 0.00 H new ATOM 0 HD3 LYS C 69 15.229 2.004 -6.359 1.00 0.00 H new ATOM 0 HE2 LYS C 69 16.955 1.143 -4.004 1.00 0.00 H new ATOM 0 HE3 LYS C 69 17.562 1.386 -5.630 1.00 0.00 H new ATOM 0 HZ1 LYS C 69 17.970 3.386 -4.561 1.00 0.00 H new ATOM 0 HZ2 LYS C 69 16.545 3.709 -5.425 1.00 0.00 H new ATOM 0 HZ3 LYS C 69 16.475 3.399 -3.757 1.00 0.00 H new ATOM 1060 N SER C 70 12.458 2.757 -1.866 1.00 0.00 N ATOM 1061 CA SER C 70 12.407 3.906 -1.000 1.00 0.00 C ATOM 1062 C SER C 70 11.986 3.411 0.375 1.00 0.00 C ATOM 1063 O SER C 70 11.339 2.366 0.472 1.00 0.00 O ATOM 1064 CB SER C 70 11.414 4.935 -1.540 1.00 0.00 C ATOM 1065 OG SER C 70 11.735 5.295 -2.875 1.00 0.00 O ATOM 0 H SER C 70 11.809 2.783 -2.653 1.00 0.00 H new ATOM 0 HA SER C 70 13.379 4.397 -0.945 1.00 0.00 H new ATOM 0 HB2 SER C 70 10.404 4.527 -1.502 1.00 0.00 H new ATOM 0 HB3 SER C 70 11.423 5.823 -0.907 1.00 0.00 H new ATOM 0 HG SER C 70 11.284 4.685 -3.496 1.00 0.00 H new ATOM 1071 N THR C 71 12.338 4.125 1.433 1.00 0.00 N ATOM 1072 CA THR C 71 12.109 3.615 2.753 1.00 0.00 C ATOM 1073 C THR C 71 10.623 3.490 2.988 1.00 0.00 C ATOM 1074 O THR C 71 9.900 4.488 3.061 1.00 0.00 O ATOM 1075 CB THR C 71 12.753 4.509 3.827 1.00 0.00 C ATOM 1076 OG1 THR C 71 12.615 5.889 3.462 1.00 0.00 O ATOM 1077 CG2 THR C 71 14.223 4.168 4.001 1.00 0.00 C ATOM 0 H THR C 71 12.776 5.045 1.394 1.00 0.00 H new ATOM 0 HA THR C 71 12.576 2.633 2.830 1.00 0.00 H new ATOM 0 HB THR C 71 12.242 4.332 4.773 1.00 0.00 H new ATOM 0 HG1 THR C 71 13.496 6.319 3.469 1.00 0.00 H new ATOM 0 HG21 THR C 71 14.658 4.812 4.765 1.00 0.00 H new ATOM 0 HG22 THR C 71 14.321 3.126 4.306 1.00 0.00 H new ATOM 0 HG23 THR C 71 14.746 4.321 3.057 1.00 0.00 H new ATOM 1085 N VAL C 72 10.176 2.252 3.080 1.00 0.00 N ATOM 1086 CA VAL C 72 8.770 1.935 3.177 1.00 0.00 C ATOM 1087 C VAL C 72 8.144 2.607 4.391 1.00 0.00 C ATOM 1088 O VAL C 72 6.933 2.749 4.469 1.00 0.00 O ATOM 1089 CB VAL C 72 8.567 0.401 3.240 1.00 0.00 C ATOM 1090 CG1 VAL C 72 7.105 0.025 3.240 1.00 0.00 C ATOM 1091 CG2 VAL C 72 9.273 -0.277 2.078 1.00 0.00 C ATOM 0 H VAL C 72 10.786 1.434 3.089 1.00 0.00 H new ATOM 0 HA VAL C 72 8.272 2.316 2.286 1.00 0.00 H new ATOM 0 HB VAL C 72 9.001 0.057 4.179 1.00 0.00 H new ATOM 0 HG11 VAL C 72 7.008 -1.060 3.285 1.00 0.00 H new ATOM 0 HG12 VAL C 72 6.615 0.469 4.106 1.00 0.00 H new ATOM 0 HG13 VAL C 72 6.635 0.394 2.328 1.00 0.00 H new ATOM 0 HG21 VAL C 72 9.120 -1.355 2.138 1.00 0.00 H new ATOM 0 HG22 VAL C 72 8.866 0.096 1.138 1.00 0.00 H new ATOM 0 HG23 VAL C 72 10.340 -0.059 2.123 1.00 0.00 H new ATOM 1101 N GLY C 73 8.976 3.079 5.306 1.00 0.00 N ATOM 1102 CA GLY C 73 8.457 3.713 6.500 1.00 0.00 C ATOM 1103 C GLY C 73 8.062 5.140 6.237 1.00 0.00 C ATOM 1104 O GLY C 73 7.031 5.606 6.719 1.00 0.00 O ATOM 0 H GLY C 73 9.993 3.035 5.245 1.00 0.00 H new ATOM 0 HA2 GLY C 73 7.593 3.156 6.863 1.00 0.00 H new ATOM 0 HA3 GLY C 73 9.210 3.682 7.287 1.00 0.00 H new ATOM 1108 N ASN C 74 8.859 5.829 5.436 1.00 0.00 N ATOM 1109 CA ASN C 74 8.545 7.196 5.072 1.00 0.00 C ATOM 1110 C ASN C 74 7.358 7.214 4.131 1.00 0.00 C ATOM 1111 O ASN C 74 6.495 8.086 4.213 1.00 0.00 O ATOM 1112 CB ASN C 74 9.756 7.867 4.432 1.00 0.00 C ATOM 1113 CG ASN C 74 10.800 8.252 5.459 1.00 0.00 C ATOM 1114 OD1 ASN C 74 10.481 8.778 6.526 1.00 0.00 O ATOM 1115 ND2 ASN C 74 12.051 7.939 5.174 1.00 0.00 N ATOM 0 H ASN C 74 9.721 5.465 5.030 1.00 0.00 H new ATOM 0 HA ASN C 74 8.286 7.756 5.971 1.00 0.00 H new ATOM 0 HB2 ASN C 74 10.199 7.192 3.700 1.00 0.00 H new ATOM 0 HB3 ASN C 74 9.434 8.757 3.891 1.00 0.00 H new ATOM 0 HD21 ASN C 74 12.791 8.132 5.849 1.00 0.00 H new ATOM 0 HD22 ASN C 74 12.277 7.504 4.279 1.00 0.00 H new ATOM 1122 N ILE C 75 7.291 6.219 3.261 1.00 0.00 N ATOM 1123 CA ILE C 75 6.201 6.139 2.309 1.00 0.00 C ATOM 1124 C ILE C 75 4.901 5.740 3.000 1.00 0.00 C ATOM 1125 O ILE C 75 3.909 6.463 2.926 1.00 0.00 O ATOM 1126 CB ILE C 75 6.483 5.128 1.181 1.00 0.00 C ATOM 1127 CG1 ILE C 75 7.886 5.322 0.594 1.00 0.00 C ATOM 1128 CG2 ILE C 75 5.427 5.275 0.097 1.00 0.00 C ATOM 1129 CD1 ILE C 75 8.119 6.689 -0.009 1.00 0.00 C ATOM 0 H ILE C 75 7.973 5.463 3.196 1.00 0.00 H new ATOM 0 HA ILE C 75 6.106 7.134 1.873 1.00 0.00 H new ATOM 0 HB ILE C 75 6.440 4.122 1.597 1.00 0.00 H new ATOM 0 HG12 ILE C 75 8.623 5.152 1.379 1.00 0.00 H new ATOM 0 HG13 ILE C 75 8.056 4.565 -0.172 1.00 0.00 H new ATOM 0 HG21 ILE C 75 5.624 4.561 -0.702 1.00 0.00 H new ATOM 0 HG22 ILE C 75 4.441 5.082 0.521 1.00 0.00 H new ATOM 0 HG23 ILE C 75 5.457 6.287 -0.306 1.00 0.00 H new ATOM 0 HD11 ILE C 75 9.134 6.745 -0.402 1.00 0.00 H new ATOM 0 HD12 ILE C 75 7.407 6.856 -0.817 1.00 0.00 H new ATOM 0 HD13 ILE C 75 7.984 7.452 0.757 1.00 0.00 H new ATOM 1141 N SER C 76 4.923 4.598 3.688 1.00 0.00 N ATOM 1142 CA SER C 76 3.706 4.012 4.239 1.00 0.00 C ATOM 1143 C SER C 76 2.988 4.958 5.177 1.00 0.00 C ATOM 1144 O SER C 76 1.840 5.308 4.949 1.00 0.00 O ATOM 1145 CB SER C 76 4.001 2.693 4.958 1.00 0.00 C ATOM 1146 OG SER C 76 4.903 2.887 6.032 1.00 0.00 O ATOM 0 H SER C 76 5.771 4.063 3.876 1.00 0.00 H new ATOM 0 HA SER C 76 3.049 3.815 3.392 1.00 0.00 H new ATOM 0 HB2 SER C 76 3.072 2.264 5.333 1.00 0.00 H new ATOM 0 HB3 SER C 76 4.421 1.977 4.252 1.00 0.00 H new ATOM 0 HG SER C 76 5.771 3.177 5.682 1.00 0.00 H new ATOM 1152 N ASN C 77 3.663 5.380 6.221 1.00 0.00 N ATOM 1153 CA ASN C 77 3.002 6.174 7.253 1.00 0.00 C ATOM 1154 C ASN C 77 2.593 7.562 6.772 1.00 0.00 C ATOM 1155 O ASN C 77 1.719 8.184 7.375 1.00 0.00 O ATOM 1156 CB ASN C 77 3.824 6.246 8.537 1.00 0.00 C ATOM 1157 CG ASN C 77 3.208 5.389 9.633 1.00 0.00 C ATOM 1158 OD1 ASN C 77 1.876 5.390 9.719 1.00 0.00 O flip ATOM 1159 ND2 ASN C 77 3.919 4.756 10.411 1.00 0.00 N flip ATOM 0 H ASN C 77 4.653 5.196 6.385 1.00 0.00 H new ATOM 0 HA ASN C 77 2.077 5.645 7.484 1.00 0.00 H new ATOM 0 HB2 ASN C 77 4.842 5.912 8.339 1.00 0.00 H new ATOM 0 HB3 ASN C 77 3.888 7.281 8.873 1.00 0.00 H new ATOM 0 HD21 ASN C 77 4.934 4.782 10.311 1.00 0.00 H new ATOM 0 HD22 ASN C 77 3.494 4.205 11.157 1.00 0.00 H new ATOM 1166 N ASP C 78 3.181 8.050 5.685 1.00 0.00 N ATOM 1167 CA ASP C 78 2.659 9.263 5.065 1.00 0.00 C ATOM 1168 C ASP C 78 1.382 8.950 4.321 1.00 0.00 C ATOM 1169 O ASP C 78 0.462 9.751 4.303 1.00 0.00 O ATOM 1170 CB ASP C 78 3.651 9.922 4.124 1.00 0.00 C ATOM 1171 CG ASP C 78 4.598 10.855 4.857 1.00 0.00 C ATOM 1172 OD1 ASP C 78 5.538 10.368 5.520 1.00 0.00 O ATOM 1173 OD2 ASP C 78 4.391 12.087 4.789 1.00 0.00 O1- ATOM 0 H ASP C 78 3.994 7.640 5.226 1.00 0.00 H new ATOM 0 HA ASP C 78 2.464 9.971 5.870 1.00 0.00 H new ATOM 0 HB2 ASP C 78 4.227 9.153 3.608 1.00 0.00 H new ATOM 0 HB3 ASP C 78 3.110 10.481 3.361 1.00 0.00 H new ATOM 1178 N ILE C 79 1.327 7.774 3.715 1.00 0.00 N ATOM 1179 CA ILE C 79 0.085 7.275 3.146 1.00 0.00 C ATOM 1180 C ILE C 79 -0.962 7.163 4.241 1.00 0.00 C ATOM 1181 O ILE C 79 -2.157 7.355 4.018 1.00 0.00 O ATOM 1182 CB ILE C 79 0.268 5.883 2.501 1.00 0.00 C ATOM 1183 CG1 ILE C 79 1.167 5.957 1.271 1.00 0.00 C ATOM 1184 CG2 ILE C 79 -1.079 5.270 2.139 1.00 0.00 C ATOM 1185 CD1 ILE C 79 1.355 4.614 0.608 1.00 0.00 C ATOM 0 H ILE C 79 2.126 7.149 3.605 1.00 0.00 H new ATOM 0 HA ILE C 79 -0.230 7.977 2.374 1.00 0.00 H new ATOM 0 HB ILE C 79 0.753 5.241 3.236 1.00 0.00 H new ATOM 0 HG12 ILE C 79 0.737 6.656 0.553 1.00 0.00 H new ATOM 0 HG13 ILE C 79 2.140 6.355 1.560 1.00 0.00 H new ATOM 0 HG21 ILE C 79 -0.923 4.291 1.687 1.00 0.00 H new ATOM 0 HG22 ILE C 79 -1.683 5.162 3.040 1.00 0.00 H new ATOM 0 HG23 ILE C 79 -1.595 5.919 1.431 1.00 0.00 H new ATOM 0 HD11 ILE C 79 2.003 4.725 -0.261 1.00 0.00 H new ATOM 0 HD12 ILE C 79 1.811 3.920 1.314 1.00 0.00 H new ATOM 0 HD13 ILE C 79 0.387 4.226 0.292 1.00 0.00 H new ATOM 1197 N ASN C 80 -0.497 6.873 5.441 1.00 0.00 N ATOM 1198 CA ASN C 80 -1.398 6.588 6.530 1.00 0.00 C ATOM 1199 C ASN C 80 -1.931 7.855 7.170 1.00 0.00 C ATOM 1200 O ASN C 80 -3.087 7.890 7.588 1.00 0.00 O ATOM 1201 CB ASN C 80 -0.734 5.699 7.591 1.00 0.00 C ATOM 1202 CG ASN C 80 -0.086 4.449 7.013 1.00 0.00 C ATOM 1203 OD1 ASN C 80 -0.497 3.939 5.981 1.00 0.00 O ATOM 1204 ND2 ASN C 80 0.925 3.930 7.692 1.00 0.00 N ATOM 0 H ASN C 80 0.493 6.830 5.681 1.00 0.00 H new ATOM 0 HA ASN C 80 -2.241 6.045 6.102 1.00 0.00 H new ATOM 0 HB2 ASN C 80 0.022 6.280 8.120 1.00 0.00 H new ATOM 0 HB3 ASN C 80 -1.482 5.404 8.327 1.00 0.00 H new ATOM 0 HD21 ASN C 80 1.383 3.082 7.357 1.00 0.00 H new ATOM 0 HD22 ASN C 80 1.246 4.378 8.550 1.00 0.00 H new ATOM 1211 N LYS C 81 -1.114 8.902 7.242 1.00 0.00 N ATOM 1212 CA LYS C 81 -1.592 10.174 7.773 1.00 0.00 C ATOM 1213 C LYS C 81 -2.752 10.669 6.918 1.00 0.00 C ATOM 1214 O LYS C 81 -3.681 11.299 7.415 1.00 0.00 O ATOM 1215 CB LYS C 81 -0.474 11.228 7.833 1.00 0.00 C ATOM 1216 CG LYS C 81 0.042 11.665 6.472 1.00 0.00 C ATOM 1217 CD LYS C 81 1.113 12.741 6.574 1.00 0.00 C ATOM 1218 CE LYS C 81 2.277 12.302 7.449 1.00 0.00 C ATOM 1219 NZ LYS C 81 3.492 13.122 7.208 1.00 0.00 N1+ ATOM 0 H LYS C 81 -0.138 8.897 6.946 1.00 0.00 H new ATOM 0 HA LYS C 81 -1.931 10.014 8.797 1.00 0.00 H new ATOM 0 HB2 LYS C 81 -0.843 12.103 8.368 1.00 0.00 H new ATOM 0 HB3 LYS C 81 0.357 10.827 8.413 1.00 0.00 H new ATOM 0 HG2 LYS C 81 0.448 10.801 5.946 1.00 0.00 H new ATOM 0 HG3 LYS C 81 -0.789 12.040 5.875 1.00 0.00 H new ATOM 0 HD2 LYS C 81 1.480 12.984 5.577 1.00 0.00 H new ATOM 0 HD3 LYS C 81 0.675 13.652 6.983 1.00 0.00 H new ATOM 0 HE2 LYS C 81 1.991 12.377 8.498 1.00 0.00 H new ATOM 0 HE3 LYS C 81 2.502 11.253 7.254 1.00 0.00 H new ATOM 0 HZ1 LYS C 81 4.164 12.984 7.989 1.00 0.00 H new ATOM 0 HZ2 LYS C 81 3.936 12.830 6.314 1.00 0.00 H new ATOM 0 HZ3 LYS C 81 3.228 14.126 7.152 1.00 0.00 H new ATOM 1233 N LEU C 82 -2.710 10.327 5.632 1.00 0.00 N ATOM 1234 CA LEU C 82 -3.767 10.684 4.692 1.00 0.00 C ATOM 1235 C LEU C 82 -5.110 10.167 5.189 1.00 0.00 C ATOM 1236 O LEU C 82 -6.137 10.801 4.972 1.00 0.00 O ATOM 1237 CB LEU C 82 -3.487 10.071 3.315 1.00 0.00 C ATOM 1238 CG LEU C 82 -2.039 10.164 2.819 1.00 0.00 C ATOM 1239 CD1 LEU C 82 -1.947 9.628 1.394 1.00 0.00 C ATOM 1240 CD2 LEU C 82 -1.541 11.604 2.870 1.00 0.00 C ATOM 0 H LEU C 82 -1.945 9.797 5.215 1.00 0.00 H new ATOM 0 HA LEU C 82 -3.795 11.771 4.612 1.00 0.00 H new ATOM 0 HB2 LEU C 82 -3.774 9.020 3.342 1.00 0.00 H new ATOM 0 HB3 LEU C 82 -4.132 10.559 2.584 1.00 0.00 H new ATOM 0 HG LEU C 82 -1.408 9.561 3.472 1.00 0.00 H new ATOM 0 HD11 LEU C 82 -0.916 9.696 1.046 1.00 0.00 H new ATOM 0 HD12 LEU C 82 -2.268 8.587 1.376 1.00 0.00 H new ATOM 0 HD13 LEU C 82 -2.590 10.218 0.741 1.00 0.00 H new ATOM 0 HD21 LEU C 82 -0.512 11.646 2.514 1.00 0.00 H new ATOM 0 HD22 LEU C 82 -2.170 12.229 2.236 1.00 0.00 H new ATOM 0 HD23 LEU C 82 -1.585 11.968 3.897 1.00 0.00 H new ATOM 1252 N ASN C 83 -5.054 9.037 5.894 1.00 0.00 N ATOM 1253 CA ASN C 83 -6.234 8.290 6.360 1.00 0.00 C ATOM 1254 C ASN C 83 -7.370 8.255 5.333 1.00 0.00 C ATOM 1255 O ASN C 83 -8.118 9.221 5.174 1.00 0.00 O ATOM 1256 CB ASN C 83 -6.732 8.818 7.707 1.00 0.00 C ATOM 1257 CG ASN C 83 -6.512 7.811 8.831 1.00 0.00 C ATOM 1258 OD1 ASN C 83 -7.311 7.719 9.763 1.00 0.00 O ATOM 1259 ND2 ASN C 83 -5.415 7.059 8.759 1.00 0.00 N ATOM 0 H ASN C 83 -4.172 8.602 6.165 1.00 0.00 H new ATOM 0 HA ASN C 83 -5.904 7.260 6.492 1.00 0.00 H new ATOM 0 HB2 ASN C 83 -6.215 9.747 7.946 1.00 0.00 H new ATOM 0 HB3 ASN C 83 -7.794 9.054 7.634 1.00 0.00 H new ATOM 0 HD21 ASN C 83 -5.214 6.379 9.492 1.00 0.00 H new ATOM 0 HD22 ASN C 83 -4.776 7.163 7.971 1.00 0.00 H new ATOM 1266 N ILE C 84 -7.481 7.104 4.668 1.00 0.00 N ATOM 1267 CA ILE C 84 -8.491 6.832 3.633 1.00 0.00 C ATOM 1268 C ILE C 84 -9.844 7.487 3.911 1.00 0.00 C ATOM 1269 O ILE C 84 -10.309 7.558 5.042 1.00 0.00 O ATOM 1270 CB ILE C 84 -8.678 5.306 3.478 1.00 0.00 C ATOM 1271 CG1 ILE C 84 -7.483 4.704 2.755 1.00 0.00 C ATOM 1272 CG2 ILE C 84 -9.973 4.951 2.753 1.00 0.00 C ATOM 1273 CD1 ILE C 84 -7.453 4.953 1.264 1.00 0.00 C ATOM 0 H ILE C 84 -6.858 6.314 4.835 1.00 0.00 H new ATOM 0 HA ILE C 84 -8.115 7.272 2.710 1.00 0.00 H new ATOM 0 HB ILE C 84 -8.746 4.883 4.480 1.00 0.00 H new ATOM 0 HG12 ILE C 84 -6.570 5.106 3.195 1.00 0.00 H new ATOM 0 HG13 ILE C 84 -7.475 3.628 2.930 1.00 0.00 H new ATOM 0 HG21 ILE C 84 -10.058 3.868 2.669 1.00 0.00 H new ATOM 0 HG22 ILE C 84 -10.823 5.339 3.315 1.00 0.00 H new ATOM 0 HG23 ILE C 84 -9.965 5.392 1.756 1.00 0.00 H new ATOM 0 HD11 ILE C 84 -6.566 4.487 0.835 1.00 0.00 H new ATOM 0 HD12 ILE C 84 -8.345 4.526 0.806 1.00 0.00 H new ATOM 0 HD13 ILE C 84 -7.426 6.026 1.075 1.00 0.00 H new ATOM 1285 N LYS C 85 -10.463 7.966 2.848 1.00 0.00 N ATOM 1286 CA LYS C 85 -11.744 8.644 2.941 1.00 0.00 C ATOM 1287 C LYS C 85 -12.588 8.310 1.749 1.00 0.00 C ATOM 1288 O LYS C 85 -13.656 8.883 1.542 1.00 0.00 O ATOM 1289 CB LYS C 85 -11.556 10.156 3.012 1.00 0.00 C ATOM 1290 CG LYS C 85 -10.995 10.812 1.739 1.00 0.00 C ATOM 1291 CD LYS C 85 -9.576 10.353 1.405 1.00 0.00 C ATOM 1292 CE LYS C 85 -8.582 10.692 2.509 1.00 0.00 C ATOM 1293 NZ LYS C 85 -8.372 12.157 2.646 1.00 0.00 N1+ ATOM 0 H LYS C 85 -10.095 7.897 1.899 1.00 0.00 H new ATOM 0 HA LYS C 85 -12.239 8.306 3.852 1.00 0.00 H new ATOM 0 HB2 LYS C 85 -12.518 10.614 3.243 1.00 0.00 H new ATOM 0 HB3 LYS C 85 -10.887 10.383 3.842 1.00 0.00 H new ATOM 0 HG2 LYS C 85 -11.652 10.583 0.900 1.00 0.00 H new ATOM 0 HG3 LYS C 85 -11.001 11.895 1.862 1.00 0.00 H new ATOM 0 HD2 LYS C 85 -9.575 9.276 1.237 1.00 0.00 H new ATOM 0 HD3 LYS C 85 -9.255 10.821 0.474 1.00 0.00 H new ATOM 0 HE2 LYS C 85 -8.941 10.288 3.456 1.00 0.00 H new ATOM 0 HE3 LYS C 85 -7.628 10.208 2.298 1.00 0.00 H new ATOM 0 HZ1 LYS C 85 -7.627 12.337 3.349 1.00 0.00 H new ATOM 0 HZ2 LYS C 85 -8.085 12.554 1.728 1.00 0.00 H new ATOM 0 HZ3 LYS C 85 -9.257 12.607 2.956 1.00 0.00 H new ATOM 1307 N GLY C 86 -12.109 7.381 0.963 1.00 0.00 N ATOM 1308 CA GLY C 86 -12.772 7.108 -0.266 1.00 0.00 C ATOM 1309 C GLY C 86 -13.430 5.747 -0.264 1.00 0.00 C ATOM 1310 O GLY C 86 -13.411 5.055 0.756 1.00 0.00 O ATOM 0 H GLY C 86 -11.281 6.817 1.153 1.00 0.00 H new ATOM 0 HA2 GLY C 86 -13.525 7.874 -0.450 1.00 0.00 H new ATOM 0 HA3 GLY C 86 -12.055 7.163 -1.085 1.00 0.00 H new ATOM 1314 N PRO C 87 -14.014 5.326 -1.394 1.00 0.00 N ATOM 1315 CA PRO C 87 -14.619 4.005 -1.518 1.00 0.00 C ATOM 1316 C PRO C 87 -13.574 2.925 -1.796 1.00 0.00 C ATOM 1317 O PRO C 87 -13.048 2.312 -0.865 1.00 0.00 O ATOM 1318 CB PRO C 87 -15.559 4.172 -2.707 1.00 0.00 C ATOM 1319 CG PRO C 87 -14.877 5.179 -3.567 1.00 0.00 C ATOM 1320 CD PRO C 87 -14.164 6.120 -2.629 1.00 0.00 C ATOM 0 HA PRO C 87 -15.121 3.684 -0.605 1.00 0.00 H new ATOM 0 HB2 PRO C 87 -15.706 3.230 -3.235 1.00 0.00 H new ATOM 0 HB3 PRO C 87 -16.544 4.517 -2.392 1.00 0.00 H new ATOM 0 HG2 PRO C 87 -14.173 4.698 -4.246 1.00 0.00 H new ATOM 0 HG3 PRO C 87 -15.598 5.716 -4.184 1.00 0.00 H new ATOM 0 HD2 PRO C 87 -13.198 6.429 -3.028 1.00 0.00 H new ATOM 0 HD3 PRO C 87 -14.742 7.028 -2.455 1.00 0.00 H new ATOM 1328 N TYR C 88 -13.252 2.699 -3.066 1.00 0.00 N ATOM 1329 CA TYR C 88 -12.250 1.722 -3.404 1.00 0.00 C ATOM 1330 C TYR C 88 -10.988 2.409 -3.887 1.00 0.00 C ATOM 1331 O TYR C 88 -10.964 3.052 -4.939 1.00 0.00 O ATOM 1332 CB TYR C 88 -12.758 0.682 -4.420 1.00 0.00 C ATOM 1333 CG TYR C 88 -13.306 1.236 -5.718 1.00 0.00 C ATOM 1334 CD1 TYR C 88 -14.585 1.771 -5.786 1.00 0.00 C ATOM 1335 CD2 TYR C 88 -12.551 1.193 -6.883 1.00 0.00 C ATOM 1336 CE1 TYR C 88 -15.094 2.251 -6.976 1.00 0.00 C ATOM 1337 CE2 TYR C 88 -13.053 1.673 -8.076 1.00 0.00 C ATOM 1338 CZ TYR C 88 -14.325 2.200 -8.118 1.00 0.00 C ATOM 1339 OH TYR C 88 -14.828 2.681 -9.303 1.00 0.00 O ATOM 0 H TYR C 88 -13.671 3.179 -3.863 1.00 0.00 H new ATOM 0 HA TYR C 88 -12.014 1.165 -2.497 1.00 0.00 H new ATOM 0 HB2 TYR C 88 -11.939 0.002 -4.655 1.00 0.00 H new ATOM 0 HB3 TYR C 88 -13.538 0.088 -3.943 1.00 0.00 H new ATOM 0 HD1 TYR C 88 -15.192 1.812 -4.893 1.00 0.00 H new ATOM 0 HD2 TYR C 88 -11.555 0.777 -6.855 1.00 0.00 H new ATOM 0 HE1 TYR C 88 -16.091 2.665 -7.012 1.00 0.00 H new ATOM 0 HE2 TYR C 88 -12.451 1.636 -8.972 1.00 0.00 H new ATOM 0 HH TYR C 88 -14.159 2.572 -10.011 1.00 0.00 H new ATOM 1349 N ILE C 89 -9.958 2.314 -3.076 1.00 0.00 N ATOM 1350 CA ILE C 89 -8.673 2.891 -3.398 1.00 0.00 C ATOM 1351 C ILE C 89 -7.626 1.793 -3.387 1.00 0.00 C ATOM 1352 O ILE C 89 -7.513 1.048 -2.420 1.00 0.00 O ATOM 1353 CB ILE C 89 -8.296 4.013 -2.404 1.00 0.00 C ATOM 1354 CG1 ILE C 89 -9.329 5.145 -2.486 1.00 0.00 C ATOM 1355 CG2 ILE C 89 -6.894 4.538 -2.690 1.00 0.00 C ATOM 1356 CD1 ILE C 89 -9.117 6.255 -1.478 1.00 0.00 C ATOM 0 H ILE C 89 -9.988 1.835 -2.176 1.00 0.00 H new ATOM 0 HA ILE C 89 -8.724 3.342 -4.389 1.00 0.00 H new ATOM 0 HB ILE C 89 -8.299 3.606 -1.393 1.00 0.00 H new ATOM 0 HG12 ILE C 89 -9.305 5.571 -3.489 1.00 0.00 H new ATOM 0 HG13 ILE C 89 -10.324 4.724 -2.342 1.00 0.00 H new ATOM 0 HG21 ILE C 89 -6.649 5.327 -1.979 1.00 0.00 H new ATOM 0 HG22 ILE C 89 -6.174 3.725 -2.593 1.00 0.00 H new ATOM 0 HG23 ILE C 89 -6.855 4.938 -3.703 1.00 0.00 H new ATOM 0 HD11 ILE C 89 -9.889 7.014 -1.604 1.00 0.00 H new ATOM 0 HD12 ILE C 89 -9.172 5.846 -0.469 1.00 0.00 H new ATOM 0 HD13 ILE C 89 -8.137 6.706 -1.634 1.00 0.00 H new ATOM 1368 N GLU C 90 -6.889 1.683 -4.473 1.00 0.00 N ATOM 1369 CA GLU C 90 -5.932 0.608 -4.635 1.00 0.00 C ATOM 1370 C GLU C 90 -4.568 1.022 -4.136 1.00 0.00 C ATOM 1371 O GLU C 90 -4.146 2.161 -4.334 1.00 0.00 O ATOM 1372 CB GLU C 90 -5.826 0.222 -6.101 1.00 0.00 C ATOM 1373 CG GLU C 90 -7.148 -0.233 -6.699 1.00 0.00 C ATOM 1374 CD GLU C 90 -7.057 -0.523 -8.180 1.00 0.00 C ATOM 1375 OE1 GLU C 90 -7.352 0.382 -8.985 1.00 0.00 O ATOM 1376 OE2 GLU C 90 -6.699 -1.665 -8.550 1.00 0.00 O1- ATOM 0 H GLU C 90 -6.935 2.329 -5.261 1.00 0.00 H new ATOM 0 HA GLU C 90 -6.281 -0.244 -4.051 1.00 0.00 H new ATOM 0 HB2 GLU C 90 -5.453 1.075 -6.668 1.00 0.00 H new ATOM 0 HB3 GLU C 90 -5.093 -0.577 -6.207 1.00 0.00 H new ATOM 0 HG2 GLU C 90 -7.487 -1.129 -6.179 1.00 0.00 H new ATOM 0 HG3 GLU C 90 -7.901 0.537 -6.531 1.00 0.00 H new ATOM 1383 N ILE C 91 -3.884 0.096 -3.500 1.00 0.00 N ATOM 1384 CA ILE C 91 -2.541 0.328 -3.038 1.00 0.00 C ATOM 1385 C ILE C 91 -1.690 -0.911 -3.377 1.00 0.00 C ATOM 1386 O ILE C 91 -1.763 -1.958 -2.730 1.00 0.00 O ATOM 1387 CB ILE C 91 -2.545 0.699 -1.520 1.00 0.00 C ATOM 1388 CG1 ILE C 91 -1.256 1.413 -1.127 1.00 0.00 C ATOM 1389 CG2 ILE C 91 -2.757 -0.514 -0.631 1.00 0.00 C ATOM 1390 CD1 ILE C 91 -1.250 1.909 0.302 1.00 0.00 C ATOM 0 H ILE C 91 -4.245 -0.835 -3.291 1.00 0.00 H new ATOM 0 HA ILE C 91 -2.091 1.183 -3.543 1.00 0.00 H new ATOM 0 HB ILE C 91 -3.387 1.374 -1.367 1.00 0.00 H new ATOM 0 HG12 ILE C 91 -0.416 0.734 -1.270 1.00 0.00 H new ATOM 0 HG13 ILE C 91 -1.100 2.259 -1.797 1.00 0.00 H new ATOM 0 HG21 ILE C 91 -2.752 -0.205 0.414 1.00 0.00 H new ATOM 0 HG22 ILE C 91 -3.716 -0.976 -0.868 1.00 0.00 H new ATOM 0 HG23 ILE C 91 -1.956 -1.234 -0.800 1.00 0.00 H new ATOM 0 HD11 ILE C 91 -0.303 2.406 0.511 1.00 0.00 H new ATOM 0 HD12 ILE C 91 -2.069 2.614 0.446 1.00 0.00 H new ATOM 0 HD13 ILE C 91 -1.374 1.065 0.981 1.00 0.00 H new ATOM 1402 N LYS C 92 -0.933 -0.808 -4.463 1.00 0.00 N ATOM 1403 CA LYS C 92 -0.213 -1.953 -5.011 1.00 0.00 C ATOM 1404 C LYS C 92 0.755 -1.494 -6.092 1.00 0.00 C ATOM 1405 O LYS C 92 0.648 -0.377 -6.588 1.00 0.00 O ATOM 1406 CB LYS C 92 -1.222 -2.952 -5.593 1.00 0.00 C ATOM 1407 CG LYS C 92 -2.173 -2.337 -6.618 1.00 0.00 C ATOM 1408 CD LYS C 92 -1.677 -2.506 -8.047 1.00 0.00 C ATOM 1409 CE LYS C 92 -1.706 -3.964 -8.480 1.00 0.00 C ATOM 1410 NZ LYS C 92 -1.165 -4.144 -9.851 1.00 0.00 N1+ ATOM 0 H LYS C 92 -0.801 0.059 -4.983 1.00 0.00 H new ATOM 0 HA LYS C 92 0.358 -2.436 -4.218 1.00 0.00 H new ATOM 0 HB2 LYS C 92 -0.679 -3.773 -6.061 1.00 0.00 H new ATOM 0 HB3 LYS C 92 -1.807 -3.380 -4.779 1.00 0.00 H new ATOM 0 HG2 LYS C 92 -3.155 -2.799 -6.521 1.00 0.00 H new ATOM 0 HG3 LYS C 92 -2.297 -1.276 -6.403 1.00 0.00 H new ATOM 0 HD2 LYS C 92 -2.296 -1.913 -8.720 1.00 0.00 H new ATOM 0 HD3 LYS C 92 -0.660 -2.122 -8.128 1.00 0.00 H new ATOM 0 HE2 LYS C 92 -1.125 -4.563 -7.779 1.00 0.00 H new ATOM 0 HE3 LYS C 92 -2.731 -4.334 -8.442 1.00 0.00 H new ATOM 0 HZ1 LYS C 92 -1.325 -5.123 -10.162 1.00 0.00 H new ATOM 0 HZ2 LYS C 92 -1.646 -3.491 -10.502 1.00 0.00 H new ATOM 0 HZ3 LYS C 92 -0.144 -3.944 -9.851 1.00 0.00 H new ATOM 1424 N GLN C 93 1.698 -2.344 -6.467 1.00 0.00 N ATOM 1425 CA GLN C 93 2.618 -1.987 -7.532 1.00 0.00 C ATOM 1426 C GLN C 93 2.157 -2.557 -8.860 1.00 0.00 C ATOM 1427 O GLN C 93 1.354 -3.488 -8.914 1.00 0.00 O ATOM 1428 CB GLN C 93 4.064 -2.383 -7.204 1.00 0.00 C ATOM 1429 CG GLN C 93 4.268 -3.838 -6.818 1.00 0.00 C ATOM 1430 CD GLN C 93 4.551 -4.738 -8.007 1.00 0.00 C ATOM 1431 OE1 GLN C 93 5.252 -4.217 -9.004 1.00 0.00 O flip ATOM 1432 NE2 GLN C 93 4.168 -5.907 -8.016 1.00 0.00 N flip ATOM 0 H GLN C 93 1.844 -3.267 -6.059 1.00 0.00 H new ATOM 0 HA GLN C 93 2.612 -0.901 -7.621 1.00 0.00 H new ATOM 0 HB2 GLN C 93 4.689 -2.163 -8.070 1.00 0.00 H new ATOM 0 HB3 GLN C 93 4.419 -1.755 -6.387 1.00 0.00 H new ATOM 0 HG2 GLN C 93 5.096 -3.907 -6.113 1.00 0.00 H new ATOM 0 HG3 GLN C 93 3.378 -4.198 -6.301 1.00 0.00 H new ATOM 0 HE21 GLN C 93 3.630 -6.274 -7.231 1.00 0.00 H new ATOM 0 HE22 GLN C 93 4.388 -6.510 -8.809 1.00 0.00 H new ATOM 1441 N ILE C 94 2.680 -1.990 -9.921 1.00 0.00 N ATOM 1442 CA ILE C 94 2.126 -2.162 -11.249 1.00 0.00 C ATOM 1443 C ILE C 94 3.070 -2.932 -12.166 1.00 0.00 C ATOM 1444 O ILE C 94 3.468 -2.390 -13.220 1.00 0.00 O ATOM 1445 CB ILE C 94 1.807 -0.772 -11.837 1.00 0.00 C ATOM 1446 CG1 ILE C 94 2.847 0.245 -11.333 1.00 0.00 C ATOM 1447 CG2 ILE C 94 0.403 -0.345 -11.448 1.00 0.00 C ATOM 1448 CD1 ILE C 94 2.432 1.691 -11.435 1.00 0.00 C ATOM 1449 OXT ILE C 94 3.433 -4.072 -11.817 1.00 0.00 O ATOM 0 H ILE C 94 3.506 -1.393 -9.890 1.00 0.00 H new ATOM 0 HA ILE C 94 1.213 -2.753 -11.173 1.00 0.00 H new ATOM 0 HB ILE C 94 1.855 -0.818 -12.925 1.00 0.00 H new ATOM 0 HG12 ILE C 94 3.075 0.022 -10.291 1.00 0.00 H new ATOM 0 HG13 ILE C 94 3.769 0.108 -11.897 1.00 0.00 H new ATOM 0 HG21 ILE C 94 0.192 0.638 -11.870 1.00 0.00 H new ATOM 0 HG22 ILE C 94 -0.317 -1.068 -11.833 1.00 0.00 H new ATOM 0 HG23 ILE C 94 0.325 -0.298 -10.362 1.00 0.00 H new ATOM 0 HD11 ILE C 94 3.232 2.327 -11.055 1.00 0.00 H new ATOM 0 HD12 ILE C 94 2.234 1.940 -12.478 1.00 0.00 H new ATOM 0 HD13 ILE C 94 1.529 1.853 -10.846 1.00 0.00 H new TER 1461 ILE C 94