USER MOD reduce.3.24.130724 H: found=0, std=0, add=877, rem=0, adj=41 USER MOD reduce.3.24.130724 removed 877 hydrogens (5 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: A 93 TYR OH : rot 56:sc= -4.52! USER MOD Set 1.2: A 94 HIS :FLIP no HE2:sc= -35! C(o=-43!,f=-40!) USER MOD Set 2.1: A 92 GLN : amide:sc= -13.5! C(o=-24!,f=-27!) USER MOD Set 2.2: A 95 GLN :FLIP amide:sc= -10.3! C(o=-26!,f=-24!) USER MOD Set 3.1: A 39 SER OG : rot 166:sc= 0.817 USER MOD Set 3.2: A 46 THR OG1 : rot 70:sc= -0.941 USER MOD Set 3.3: A 65 HIS : no HE2:sc= -21.6! C(o=-22!,f=-34!) USER MOD Set 4.1: A 62 LYS NZ :NH3+ -163:sc= 1.67 (180deg=-0.661) USER MOD Set 4.2: A 64 TYR OH : rot -165:sc= -0.252 USER MOD Set 5.1: A 58 ASN :FLIP amide:sc= -37.3! C(o=-42!,f=-40!) USER MOD Set 5.2: A 60 CYS SG : rot 180:sc= -2.38! USER MOD Set 6.1: A 48 SER OG : rot -90:sc= -3.12! USER MOD Set 6.2: A 63 HIS : no HE2:sc= -17.1! C(o=-20!,f=-33!) USER MOD Set 7.1: A 13 ASN :FLIP amide:sc= -15.1! C(o=-54!,f=-47!) USER MOD Set 7.2: A 35 MET CE :methyl -147:sc= -32.3! (180deg=-29.5!) USER MOD Set 8.1: A 4 ASN : amide:sc= -0.151! C(o=0.29!,f=-8.8!) USER MOD Set 8.2: A 86 SER OG : rot -174:sc= 0.445! USER MOD Single : A 5 ASN : amide:sc= -0.585! C(o=-0.59!,f=-9.3!) USER MOD Single : A 8 THR OG1 : rot 0:sc= 0.87 USER MOD Single : A 9 TYR OH : rot 180:sc= -1.35 USER MOD Single : A 12 TYR OH : rot 130:sc= -3.19! USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 140:sc=-0.00735 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 161:sc=-0.00512 (180deg=-0.523) USER MOD Single : A 28 THR OG1 : rot -76:sc= -4.5! USER MOD Single : A 30 LYS NZ :NH3+ 175:sc= -0.389 (180deg=-0.605) USER MOD Single : A 41 THR OG1 : rot -170:sc= -7.51! USER MOD Single : A 44 THR OG1 : rot -165:sc= -2.84! USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 THR OG1 : rot -68:sc= 0.616 USER MOD Single : A 52 LYS NZ :NH3+ 170:sc= -3.06 (180deg=-3.48!) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 THR OG1 : rot 180:sc=-0.00807 USER MOD Single : A 70 ASN : amide:sc= 0 X(o=0,f=-0.066) USER MOD Single : A 72 SER OG : rot -34:sc= 0.0609! USER MOD Single : A 74 LYS NZ :NH3+ -144:sc= -1.24! (180deg=-4.72!) USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 TYR OH : rot 180:sc= -2.04! USER MOD Single : A 81 LYS NZ :NH3+ -126:sc= -9.23! (180deg=-15!) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 ASN :FLIP amide:sc= -0.188 F(o=-2.2!,f=-0.19) USER MOD Single : A 103 THR OG1 : rot 22:sc= -1.09 USER MOD Single : A 107 TYR OH : rot -81:sc= 0.956 USER MOD Single : A 110 CYS SG : rot -41:sc= 0.528 USER MOD ----------------------------------------------------------------- HETATM 1 C ACE A 3 -12.305 11.483 6.744 1.00 0.00 C HETATM 2 O ACE A 3 -12.083 11.077 7.885 1.00 0.00 O HETATM 3 CH3 ACE A 3 -13.038 12.781 6.515 1.00 0.00 C HETATM 0 H1 ACE A 3 -12.399 13.466 5.957 1.00 0.00 H new HETATM 0 H2 ACE A 3 -13.948 12.589 5.947 1.00 0.00 H new HETATM 0 H3 ACE A 3 -13.297 13.227 7.475 1.00 0.00 H new ATOM 7 N ASN A 4 -11.927 10.822 5.654 1.00 0.00 N ATOM 8 CA ASN A 4 -11.213 9.554 5.739 1.00 0.00 C ATOM 9 C ASN A 4 -9.766 9.712 5.283 1.00 0.00 C ATOM 10 O ASN A 4 -8.881 8.983 5.730 1.00 0.00 O ATOM 11 CB ASN A 4 -11.914 8.492 4.889 1.00 0.00 C ATOM 12 CG ASN A 4 -11.836 7.111 5.510 1.00 0.00 C ATOM 13 OD1 ASN A 4 -11.001 6.292 5.128 1.00 0.00 O ATOM 14 ND2 ASN A 4 -12.711 6.845 6.473 1.00 0.00 N ATOM 0 H ASN A 4 -12.103 11.144 4.702 1.00 0.00 H new ATOM 0 HA ASN A 4 -11.214 9.235 6.781 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -12.960 8.769 4.756 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -11.462 8.468 3.897 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -12.708 5.932 6.927 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -13.386 7.554 6.759 1.00 0.00 H new ATOM 21 N ASN A 5 -9.534 10.670 4.391 1.00 0.00 N ATOM 22 CA ASN A 5 -8.194 10.924 3.875 1.00 0.00 C ATOM 23 C ASN A 5 -7.133 10.347 4.806 1.00 0.00 C ATOM 24 O ASN A 5 -6.753 10.975 5.794 1.00 0.00 O ATOM 25 CB ASN A 5 -7.971 12.427 3.697 1.00 0.00 C ATOM 26 CG ASN A 5 -9.269 13.186 3.506 1.00 0.00 C ATOM 27 OD1 ASN A 5 -10.352 12.600 3.518 1.00 0.00 O ATOM 28 ND2 ASN A 5 -9.167 14.498 3.329 1.00 0.00 N ATOM 0 H ASN A 5 -10.256 11.282 4.011 1.00 0.00 H new ATOM 0 HA ASN A 5 -8.106 10.433 2.906 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -7.449 12.820 4.569 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -7.325 12.596 2.836 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -10.007 15.061 3.196 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -8.249 14.942 3.326 1.00 0.00 H new ATOM 35 N LEU A 6 -6.660 9.148 4.485 1.00 0.00 N ATOM 36 CA LEU A 6 -5.643 8.486 5.293 1.00 0.00 C ATOM 37 C LEU A 6 -4.655 9.499 5.865 1.00 0.00 C ATOM 38 O LEU A 6 -4.840 10.003 6.971 1.00 0.00 O ATOM 39 CB LEU A 6 -4.904 7.434 4.462 1.00 0.00 C ATOM 40 CG LEU A 6 -5.662 6.924 3.237 1.00 0.00 C ATOM 41 CD1 LEU A 6 -4.787 5.977 2.433 1.00 0.00 C ATOM 42 CD2 LEU A 6 -6.951 6.235 3.656 1.00 0.00 C ATOM 0 H LEU A 6 -6.965 8.615 3.671 1.00 0.00 H new ATOM 0 HA LEU A 6 -6.142 7.990 6.126 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -3.954 7.856 4.133 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -4.670 6.585 5.104 1.00 0.00 H new ATOM 0 HG LEU A 6 -5.919 7.776 2.608 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -5.339 5.621 1.563 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -3.890 6.502 2.104 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -4.503 5.128 3.055 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -7.477 5.878 2.771 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -6.718 5.390 4.304 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -7.583 6.942 4.194 1.00 0.00 H new ATOM 54 N GLU A 7 -3.608 9.795 5.106 1.00 0.00 N ATOM 55 CA GLU A 7 -2.593 10.743 5.540 1.00 0.00 C ATOM 56 C GLU A 7 -2.350 10.643 7.040 1.00 0.00 C ATOM 57 O GLU A 7 -2.157 11.652 7.718 1.00 0.00 O ATOM 58 CB GLU A 7 -2.999 12.170 5.170 1.00 0.00 C ATOM 59 CG GLU A 7 -4.398 12.273 4.585 1.00 0.00 C ATOM 60 CD GLU A 7 -5.080 13.582 4.932 1.00 0.00 C ATOM 61 OE1 GLU A 7 -5.321 13.826 6.133 1.00 0.00 O ATOM 62 OE2 GLU A 7 -5.371 14.365 4.003 1.00 0.00 O ATOM 0 H GLU A 7 -3.440 9.391 4.185 1.00 0.00 H new ATOM 0 HA GLU A 7 -1.665 10.493 5.026 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -2.939 12.798 6.059 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -2.283 12.567 4.450 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -4.343 12.172 3.501 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -5.003 11.444 4.952 1.00 0.00 H new ATOM 69 N THR A 8 -2.358 9.419 7.550 1.00 0.00 N ATOM 70 CA THR A 8 -2.136 9.181 8.970 1.00 0.00 C ATOM 71 C THR A 8 -1.668 7.751 9.214 1.00 0.00 C ATOM 72 O THR A 8 -1.704 7.262 10.343 1.00 0.00 O ATOM 73 CB THR A 8 -3.421 9.446 9.750 1.00 0.00 C ATOM 74 OG1 THR A 8 -3.372 8.830 11.025 1.00 0.00 O ATOM 75 CG2 THR A 8 -4.654 8.940 9.038 1.00 0.00 C ATOM 0 H THR A 8 -2.516 8.574 7.001 1.00 0.00 H new ATOM 0 HA THR A 8 -1.358 9.862 9.314 1.00 0.00 H new ATOM 0 HB THR A 8 -3.490 10.530 9.845 1.00 0.00 H new ATOM 0 HG1 THR A 8 -2.516 8.365 11.131 1.00 0.00 H new ATOM 0 HG21 THR A 8 -5.536 9.157 9.640 1.00 0.00 H new ATOM 0 HG22 THR A 8 -4.744 9.434 8.071 1.00 0.00 H new ATOM 0 HG23 THR A 8 -4.572 7.863 8.889 1.00 0.00 H new ATOM 83 N TYR A 9 -1.235 7.081 8.151 1.00 0.00 N ATOM 84 CA TYR A 9 -0.772 5.707 8.259 1.00 0.00 C ATOM 85 C TYR A 9 0.715 5.600 7.986 1.00 0.00 C ATOM 86 O TYR A 9 1.208 6.079 6.965 1.00 0.00 O ATOM 87 CB TYR A 9 -1.545 4.815 7.298 1.00 0.00 C ATOM 88 CG TYR A 9 -3.021 4.851 7.585 1.00 0.00 C ATOM 89 CD1 TYR A 9 -3.848 5.796 6.986 1.00 0.00 C ATOM 90 CD2 TYR A 9 -3.583 3.963 8.488 1.00 0.00 C ATOM 91 CE1 TYR A 9 -5.195 5.848 7.283 1.00 0.00 C ATOM 92 CE2 TYR A 9 -4.927 4.006 8.785 1.00 0.00 C ATOM 93 CZ TYR A 9 -5.730 4.951 8.182 1.00 0.00 C ATOM 94 OH TYR A 9 -7.072 5.000 8.480 1.00 0.00 O ATOM 0 H TYR A 9 -1.196 7.468 7.208 1.00 0.00 H new ATOM 0 HA TYR A 9 -0.951 5.374 9.281 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -1.364 5.138 6.273 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -1.182 3.790 7.378 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -3.431 6.498 6.279 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -2.957 3.225 8.967 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -5.826 6.588 6.813 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -5.350 3.303 9.487 1.00 0.00 H new ATOM 0 HH TYR A 9 -7.289 4.299 9.130 1.00 0.00 H new ATOM 104 N GLU A 10 1.422 4.954 8.898 1.00 0.00 N ATOM 105 CA GLU A 10 2.851 4.766 8.749 1.00 0.00 C ATOM 106 C GLU A 10 3.186 4.400 7.312 1.00 0.00 C ATOM 107 O GLU A 10 4.342 4.455 6.903 1.00 0.00 O ATOM 108 CB GLU A 10 3.334 3.658 9.684 1.00 0.00 C ATOM 109 CG GLU A 10 4.461 2.821 9.103 1.00 0.00 C ATOM 110 CD GLU A 10 5.391 2.276 10.168 1.00 0.00 C ATOM 111 OE1 GLU A 10 4.906 1.960 11.275 1.00 0.00 O ATOM 112 OE2 GLU A 10 6.605 2.165 9.896 1.00 0.00 O ATOM 0 H GLU A 10 1.028 4.552 9.748 1.00 0.00 H new ATOM 0 HA GLU A 10 3.353 5.699 9.006 1.00 0.00 H new ATOM 0 HB2 GLU A 10 3.669 4.104 10.620 1.00 0.00 H new ATOM 0 HB3 GLU A 10 2.495 3.005 9.925 1.00 0.00 H new ATOM 0 HG2 GLU A 10 4.038 1.992 8.537 1.00 0.00 H new ATOM 0 HG3 GLU A 10 5.034 3.427 8.401 1.00 0.00 H new ATOM 119 N TRP A 11 2.169 3.987 6.560 1.00 0.00 N ATOM 120 CA TRP A 11 2.365 3.570 5.183 1.00 0.00 C ATOM 121 C TRP A 11 1.941 4.621 4.156 1.00 0.00 C ATOM 122 O TRP A 11 2.516 4.692 3.071 1.00 0.00 O ATOM 123 CB TRP A 11 1.575 2.297 4.938 1.00 0.00 C ATOM 124 CG TRP A 11 0.223 2.295 5.594 1.00 0.00 C ATOM 125 CD1 TRP A 11 -0.120 1.775 6.814 1.00 0.00 C ATOM 126 CD2 TRP A 11 -0.981 2.815 5.033 1.00 0.00 C ATOM 127 NE1 TRP A 11 -1.474 1.935 7.029 1.00 0.00 N ATOM 128 CE2 TRP A 11 -2.019 2.574 5.949 1.00 0.00 C ATOM 129 CE3 TRP A 11 -1.275 3.462 3.840 1.00 0.00 C ATOM 130 CZ2 TRP A 11 -3.334 2.956 5.698 1.00 0.00 C ATOM 131 CZ3 TRP A 11 -2.577 3.841 3.588 1.00 0.00 C ATOM 132 CH2 TRP A 11 -3.593 3.586 4.512 1.00 0.00 C ATOM 0 H TRP A 11 1.204 3.934 6.885 1.00 0.00 H new ATOM 0 HA TRP A 11 3.436 3.414 5.050 1.00 0.00 H new ATOM 0 HB2 TRP A 11 1.449 2.158 3.864 1.00 0.00 H new ATOM 0 HB3 TRP A 11 2.149 1.446 5.305 1.00 0.00 H new ATOM 0 HD1 TRP A 11 0.567 1.309 7.505 1.00 0.00 H new ATOM 0 HE1 TRP A 11 -1.984 1.627 7.857 1.00 0.00 H new ATOM 0 HE3 TRP A 11 -0.496 3.665 3.120 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 -4.120 2.762 6.413 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 -2.815 4.343 2.662 1.00 0.00 H new ATOM 0 HH2 TRP A 11 -4.603 3.893 4.285 1.00 0.00 H new ATOM 143 N TYR A 12 0.916 5.405 4.463 1.00 0.00 N ATOM 144 CA TYR A 12 0.434 6.395 3.504 1.00 0.00 C ATOM 145 C TYR A 12 1.426 7.525 3.266 1.00 0.00 C ATOM 146 O TYR A 12 2.054 8.036 4.193 1.00 0.00 O ATOM 147 CB TYR A 12 -0.906 6.989 3.924 1.00 0.00 C ATOM 148 CG TYR A 12 -1.599 7.690 2.777 1.00 0.00 C ATOM 149 CD1 TYR A 12 -2.354 6.970 1.864 1.00 0.00 C ATOM 150 CD2 TYR A 12 -1.477 9.063 2.591 1.00 0.00 C ATOM 151 CE1 TYR A 12 -2.976 7.594 0.801 1.00 0.00 C ATOM 152 CE2 TYR A 12 -2.096 9.696 1.526 1.00 0.00 C ATOM 153 CZ TYR A 12 -2.844 8.956 0.636 1.00 0.00 C ATOM 154 OH TYR A 12 -3.461 9.580 -0.424 1.00 0.00 O ATOM 0 H TYR A 12 0.410 5.379 5.348 1.00 0.00 H new ATOM 0 HA TYR A 12 0.310 5.848 2.569 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -1.550 6.197 4.307 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -0.750 7.695 4.739 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -2.457 5.902 1.986 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -0.891 9.644 3.287 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -3.563 7.017 0.102 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -1.993 10.763 1.394 1.00 0.00 H new ATOM 0 HH TYR A 12 -3.967 10.354 -0.099 1.00 0.00 H new ATOM 164 N ASN A 13 1.532 7.913 1.999 1.00 0.00 N ATOM 165 CA ASN A 13 2.412 8.995 1.580 1.00 0.00 C ATOM 166 C ASN A 13 1.728 9.824 0.497 1.00 0.00 C ATOM 167 O ASN A 13 1.741 9.459 -0.678 1.00 0.00 O ATOM 168 CB ASN A 13 3.729 8.424 1.062 1.00 0.00 C ATOM 169 CG ASN A 13 4.576 7.864 2.179 1.00 0.00 C ATOM 170 OD1 ASN A 13 4.065 6.825 2.815 1.00 0.00 O flip ATOM 171 ND2 ASN A 13 5.668 8.356 2.464 1.00 0.00 N flip ATOM 0 H ASN A 13 1.009 7.485 1.235 1.00 0.00 H new ATOM 0 HA ASN A 13 2.625 9.638 2.434 1.00 0.00 H new ATOM 0 HB2 ASN A 13 3.523 7.640 0.334 1.00 0.00 H new ATOM 0 HB3 ASN A 13 4.284 9.205 0.542 1.00 0.00 H new ATOM 0 HD21 ASN A 13 6.018 9.159 1.941 1.00 0.00 H new ATOM 0 HD22 ASN A 13 6.223 7.961 3.223 1.00 0.00 H new ATOM 178 N LYS A 14 1.112 10.930 0.905 1.00 0.00 N ATOM 179 CA LYS A 14 0.401 11.797 -0.018 1.00 0.00 C ATOM 180 C LYS A 14 1.346 12.430 -1.039 1.00 0.00 C ATOM 181 O LYS A 14 1.517 11.911 -2.142 1.00 0.00 O ATOM 182 CB LYS A 14 -0.336 12.877 0.768 1.00 0.00 C ATOM 183 CG LYS A 14 -0.835 12.414 2.126 1.00 0.00 C ATOM 184 CD LYS A 14 -2.326 12.664 2.282 1.00 0.00 C ATOM 185 CE LYS A 14 -2.601 14.031 2.889 1.00 0.00 C ATOM 186 NZ LYS A 14 -2.720 15.088 1.847 1.00 0.00 N ATOM 0 H LYS A 14 1.094 11.245 1.875 1.00 0.00 H new ATOM 0 HA LYS A 14 -0.317 11.193 -0.573 1.00 0.00 H new ATOM 0 HB2 LYS A 14 0.329 13.730 0.907 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -1.184 13.227 0.179 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -0.628 11.351 2.249 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -0.292 12.938 2.913 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -2.812 12.592 1.309 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -2.762 11.890 2.914 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -3.521 13.991 3.472 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -1.798 14.290 3.579 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -2.907 16.004 2.302 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -1.833 15.144 1.307 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -3.503 14.855 1.203 1.00 0.00 H new ATOM 200 N SER A 15 1.954 13.554 -0.669 1.00 0.00 N ATOM 201 CA SER A 15 2.876 14.254 -1.559 1.00 0.00 C ATOM 202 C SER A 15 3.708 13.266 -2.371 1.00 0.00 C ATOM 203 O SER A 15 4.260 13.612 -3.415 1.00 0.00 O ATOM 204 CB SER A 15 3.798 15.171 -0.753 1.00 0.00 C ATOM 205 OG SER A 15 3.372 16.520 -0.832 1.00 0.00 O ATOM 0 H SER A 15 1.825 13.999 0.240 1.00 0.00 H new ATOM 0 HA SER A 15 2.286 14.857 -2.249 1.00 0.00 H new ATOM 0 HB2 SER A 15 3.813 14.852 0.289 1.00 0.00 H new ATOM 0 HB3 SER A 15 4.818 15.086 -1.127 1.00 0.00 H new ATOM 0 HG SER A 15 3.977 17.085 -0.307 1.00 0.00 H new ATOM 211 N ILE A 16 3.803 12.039 -1.874 1.00 0.00 N ATOM 212 CA ILE A 16 4.571 10.997 -2.523 1.00 0.00 C ATOM 213 C ILE A 16 4.065 10.665 -3.918 1.00 0.00 C ATOM 214 O ILE A 16 2.934 10.981 -4.286 1.00 0.00 O ATOM 215 CB ILE A 16 4.518 9.714 -1.694 1.00 0.00 C ATOM 216 CG1 ILE A 16 5.911 9.313 -1.267 1.00 0.00 C ATOM 217 CG2 ILE A 16 3.861 8.592 -2.482 1.00 0.00 C ATOM 218 CD1 ILE A 16 6.098 7.816 -1.212 1.00 0.00 C ATOM 0 H ILE A 16 3.348 11.744 -1.010 1.00 0.00 H new ATOM 0 HA ILE A 16 5.588 11.380 -2.606 1.00 0.00 H new ATOM 0 HB ILE A 16 3.918 9.902 -0.804 1.00 0.00 H new ATOM 0 HG12 ILE A 16 6.636 9.740 -1.960 1.00 0.00 H new ATOM 0 HG13 ILE A 16 6.121 9.737 -0.285 1.00 0.00 H new ATOM 0 HG21 ILE A 16 3.833 7.688 -1.874 1.00 0.00 H new ATOM 0 HG22 ILE A 16 2.844 8.881 -2.748 1.00 0.00 H new ATOM 0 HG23 ILE A 16 4.434 8.401 -3.390 1.00 0.00 H new ATOM 0 HD11 ILE A 16 7.117 7.588 -0.900 1.00 0.00 H new ATOM 0 HD12 ILE A 16 5.395 7.388 -0.498 1.00 0.00 H new ATOM 0 HD13 ILE A 16 5.917 7.390 -2.199 1.00 0.00 H new ATOM 230 N SER A 17 4.925 9.992 -4.671 1.00 0.00 N ATOM 231 CA SER A 17 4.608 9.559 -6.020 1.00 0.00 C ATOM 232 C SER A 17 4.839 8.056 -6.146 1.00 0.00 C ATOM 233 O SER A 17 5.055 7.370 -5.146 1.00 0.00 O ATOM 234 CB SER A 17 5.462 10.317 -7.032 1.00 0.00 C ATOM 235 OG SER A 17 4.659 11.121 -7.878 1.00 0.00 O ATOM 0 H SER A 17 5.861 9.732 -4.361 1.00 0.00 H new ATOM 0 HA SER A 17 3.559 9.773 -6.227 1.00 0.00 H new ATOM 0 HB2 SER A 17 6.183 10.944 -6.507 1.00 0.00 H new ATOM 0 HB3 SER A 17 6.033 9.609 -7.633 1.00 0.00 H new ATOM 0 HG SER A 17 5.103 11.981 -8.030 1.00 0.00 H new ATOM 241 N ARG A 18 4.794 7.546 -7.368 1.00 0.00 N ATOM 242 CA ARG A 18 5.000 6.121 -7.606 1.00 0.00 C ATOM 243 C ARG A 18 6.472 5.727 -7.467 1.00 0.00 C ATOM 244 O ARG A 18 6.809 4.787 -6.749 1.00 0.00 O ATOM 245 CB ARG A 18 4.493 5.739 -8.998 1.00 0.00 C ATOM 246 CG ARG A 18 4.887 6.729 -10.082 1.00 0.00 C ATOM 247 CD ARG A 18 5.881 6.119 -11.057 1.00 0.00 C ATOM 248 NE ARG A 18 5.229 5.634 -12.270 1.00 0.00 N ATOM 249 CZ ARG A 18 5.757 4.715 -13.072 1.00 0.00 C ATOM 250 NH1 ARG A 18 6.940 4.186 -12.790 1.00 0.00 N ATOM 251 NH2 ARG A 18 5.104 4.324 -14.158 1.00 0.00 N ATOM 0 H ARG A 18 4.617 8.094 -8.210 1.00 0.00 H new ATOM 0 HA ARG A 18 4.434 5.579 -6.848 1.00 0.00 H new ATOM 0 HB2 ARG A 18 4.880 4.754 -9.259 1.00 0.00 H new ATOM 0 HB3 ARG A 18 3.406 5.657 -8.970 1.00 0.00 H new ATOM 0 HG2 ARG A 18 3.997 7.052 -10.622 1.00 0.00 H new ATOM 0 HG3 ARG A 18 5.322 7.617 -9.624 1.00 0.00 H new ATOM 0 HD2 ARG A 18 6.632 6.863 -11.322 1.00 0.00 H new ATOM 0 HD3 ARG A 18 6.405 5.295 -10.573 1.00 0.00 H new ATOM 0 HE ARG A 18 4.318 6.022 -12.515 1.00 0.00 H new ATOM 0 HH11 ARG A 18 7.446 4.484 -11.956 1.00 0.00 H new ATOM 0 HH12 ARG A 18 7.343 3.481 -13.407 1.00 0.00 H new ATOM 0 HH21 ARG A 18 4.194 4.729 -14.379 1.00 0.00 H new ATOM 0 HH22 ARG A 18 5.511 3.619 -14.772 1.00 0.00 H new ATOM 265 N ASP A 19 7.338 6.436 -8.185 1.00 0.00 N ATOM 266 CA ASP A 19 8.774 6.150 -8.178 1.00 0.00 C ATOM 267 C ASP A 19 9.464 6.576 -6.881 1.00 0.00 C ATOM 268 O ASP A 19 10.507 6.028 -6.524 1.00 0.00 O ATOM 269 CB ASP A 19 9.446 6.843 -9.362 1.00 0.00 C ATOM 270 CG ASP A 19 9.227 6.103 -10.667 1.00 0.00 C ATOM 271 OD1 ASP A 19 9.520 4.890 -10.718 1.00 0.00 O ATOM 272 OD2 ASP A 19 8.763 6.737 -11.638 1.00 0.00 O ATOM 0 H ASP A 19 7.071 7.218 -8.783 1.00 0.00 H new ATOM 0 HA ASP A 19 8.879 5.068 -8.257 1.00 0.00 H new ATOM 0 HB2 ASP A 19 9.058 7.857 -9.453 1.00 0.00 H new ATOM 0 HB3 ASP A 19 10.516 6.927 -9.171 1.00 0.00 H new ATOM 277 N LYS A 20 8.902 7.558 -6.186 1.00 0.00 N ATOM 278 CA LYS A 20 9.502 8.045 -4.946 1.00 0.00 C ATOM 279 C LYS A 20 9.285 7.060 -3.810 1.00 0.00 C ATOM 280 O LYS A 20 10.181 6.820 -2.990 1.00 0.00 O ATOM 281 CB LYS A 20 8.921 9.407 -4.569 1.00 0.00 C ATOM 282 CG LYS A 20 9.035 10.431 -5.681 1.00 0.00 C ATOM 283 CD LYS A 20 8.235 10.002 -6.897 1.00 0.00 C ATOM 284 CE LYS A 20 7.826 11.193 -7.748 1.00 0.00 C ATOM 285 NZ LYS A 20 8.971 11.735 -8.532 1.00 0.00 N ATOM 0 H LYS A 20 8.039 8.030 -6.455 1.00 0.00 H new ATOM 0 HA LYS A 20 10.574 8.149 -5.113 1.00 0.00 H new ATOM 0 HB2 LYS A 20 7.871 9.286 -4.301 1.00 0.00 H new ATOM 0 HB3 LYS A 20 9.435 9.782 -3.684 1.00 0.00 H new ATOM 0 HG2 LYS A 20 8.677 11.398 -5.328 1.00 0.00 H new ATOM 0 HG3 LYS A 20 10.082 10.560 -5.956 1.00 0.00 H new ATOM 0 HD2 LYS A 20 8.827 9.312 -7.498 1.00 0.00 H new ATOM 0 HD3 LYS A 20 7.345 9.462 -6.575 1.00 0.00 H new ATOM 0 HE2 LYS A 20 7.028 10.896 -8.429 1.00 0.00 H new ATOM 0 HE3 LYS A 20 7.422 11.976 -7.106 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 8.651 12.546 -9.099 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 9.722 12.042 -7.882 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 9.340 10.996 -9.163 1.00 0.00 H new ATOM 299 N ALA A 21 8.087 6.496 -3.756 1.00 0.00 N ATOM 300 CA ALA A 21 7.760 5.545 -2.706 1.00 0.00 C ATOM 301 C ALA A 21 8.781 4.410 -2.656 1.00 0.00 C ATOM 302 O ALA A 21 9.118 3.909 -1.582 1.00 0.00 O ATOM 303 CB ALA A 21 6.352 5.004 -2.869 1.00 0.00 C ATOM 0 H ALA A 21 7.334 6.678 -4.419 1.00 0.00 H new ATOM 0 HA ALA A 21 7.801 6.077 -1.755 1.00 0.00 H new ATOM 0 HB1 ALA A 21 6.139 4.296 -2.068 1.00 0.00 H new ATOM 0 HB2 ALA A 21 5.639 5.827 -2.825 1.00 0.00 H new ATOM 0 HB3 ALA A 21 6.265 4.500 -3.832 1.00 0.00 H new ATOM 309 N GLU A 22 9.300 4.022 -3.812 1.00 0.00 N ATOM 310 CA GLU A 22 10.305 2.973 -3.857 1.00 0.00 C ATOM 311 C GLU A 22 11.553 3.456 -3.128 1.00 0.00 C ATOM 312 O GLU A 22 12.051 2.804 -2.203 1.00 0.00 O ATOM 313 CB GLU A 22 10.643 2.608 -5.304 1.00 0.00 C ATOM 314 CG GLU A 22 9.489 1.962 -6.053 1.00 0.00 C ATOM 315 CD GLU A 22 9.348 2.486 -7.469 1.00 0.00 C ATOM 316 OE1 GLU A 22 9.990 3.507 -7.791 1.00 0.00 O ATOM 317 OE2 GLU A 22 8.596 1.873 -8.256 1.00 0.00 O ATOM 0 H GLU A 22 9.046 4.412 -4.719 1.00 0.00 H new ATOM 0 HA GLU A 22 9.916 2.079 -3.370 1.00 0.00 H new ATOM 0 HB2 GLU A 22 10.951 3.509 -5.835 1.00 0.00 H new ATOM 0 HB3 GLU A 22 11.495 1.928 -5.309 1.00 0.00 H new ATOM 0 HG2 GLU A 22 9.638 0.883 -6.082 1.00 0.00 H new ATOM 0 HG3 GLU A 22 8.562 2.141 -5.509 1.00 0.00 H new ATOM 324 N LYS A 23 12.029 4.628 -3.541 1.00 0.00 N ATOM 325 CA LYS A 23 13.196 5.243 -2.930 1.00 0.00 C ATOM 326 C LYS A 23 12.946 5.484 -1.451 1.00 0.00 C ATOM 327 O LYS A 23 13.774 5.142 -0.607 1.00 0.00 O ATOM 328 CB LYS A 23 13.522 6.568 -3.617 1.00 0.00 C ATOM 329 CG LYS A 23 12.390 7.579 -3.545 1.00 0.00 C ATOM 330 CD LYS A 23 12.895 9.002 -3.705 1.00 0.00 C ATOM 331 CE LYS A 23 12.280 9.922 -2.663 1.00 0.00 C ATOM 332 NZ LYS A 23 11.716 11.157 -3.275 1.00 0.00 N ATOM 0 H LYS A 23 11.619 5.171 -4.301 1.00 0.00 H new ATOM 0 HA LYS A 23 14.042 4.566 -3.046 1.00 0.00 H new ATOM 0 HB2 LYS A 23 14.413 6.997 -3.158 1.00 0.00 H new ATOM 0 HB3 LYS A 23 13.763 6.377 -4.663 1.00 0.00 H new ATOM 0 HG2 LYS A 23 11.659 7.363 -4.324 1.00 0.00 H new ATOM 0 HG3 LYS A 23 11.875 7.481 -2.589 1.00 0.00 H new ATOM 0 HD2 LYS A 23 13.981 9.018 -3.613 1.00 0.00 H new ATOM 0 HD3 LYS A 23 12.654 9.366 -4.704 1.00 0.00 H new ATOM 0 HE2 LYS A 23 11.493 9.390 -2.128 1.00 0.00 H new ATOM 0 HE3 LYS A 23 13.037 10.195 -1.928 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 11.040 11.594 -2.616 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 12.485 11.827 -3.477 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 11.228 10.914 -4.161 1.00 0.00 H new ATOM 346 N LEU A 24 11.790 6.067 -1.137 1.00 0.00 N ATOM 347 CA LEU A 24 11.444 6.332 0.253 1.00 0.00 C ATOM 348 C LEU A 24 11.209 5.014 0.984 1.00 0.00 C ATOM 349 O LEU A 24 11.596 4.862 2.143 1.00 0.00 O ATOM 350 CB LEU A 24 10.216 7.243 0.354 1.00 0.00 C ATOM 351 CG LEU A 24 8.940 6.554 0.825 1.00 0.00 C ATOM 352 CD1 LEU A 24 8.569 5.456 -0.148 1.00 0.00 C ATOM 353 CD2 LEU A 24 9.125 5.993 2.226 1.00 0.00 C ATOM 0 H LEU A 24 11.088 6.360 -1.817 1.00 0.00 H new ATOM 0 HA LEU A 24 12.275 6.855 0.727 1.00 0.00 H new ATOM 0 HB2 LEU A 24 10.444 8.060 1.038 1.00 0.00 H new ATOM 0 HB3 LEU A 24 10.031 7.688 -0.624 1.00 0.00 H new ATOM 0 HG LEU A 24 8.131 7.283 0.860 1.00 0.00 H new ATOM 0 HD11 LEU A 24 7.657 4.964 0.189 1.00 0.00 H new ATOM 0 HD12 LEU A 24 8.405 5.886 -1.136 1.00 0.00 H new ATOM 0 HD13 LEU A 24 9.377 4.726 -0.199 1.00 0.00 H new ATOM 0 HD21 LEU A 24 8.205 5.505 2.547 1.00 0.00 H new ATOM 0 HD22 LEU A 24 9.939 5.268 2.223 1.00 0.00 H new ATOM 0 HD23 LEU A 24 9.364 6.804 2.914 1.00 0.00 H new ATOM 365 N LEU A 25 10.603 4.048 0.290 1.00 0.00 N ATOM 366 CA LEU A 25 10.363 2.734 0.878 1.00 0.00 C ATOM 367 C LEU A 25 11.697 2.072 1.188 1.00 0.00 C ATOM 368 O LEU A 25 11.952 1.652 2.317 1.00 0.00 O ATOM 369 CB LEU A 25 9.576 1.833 -0.079 1.00 0.00 C ATOM 370 CG LEU A 25 8.058 1.756 0.141 1.00 0.00 C ATOM 371 CD1 LEU A 25 7.668 0.405 0.726 1.00 0.00 C ATOM 372 CD2 LEU A 25 7.569 2.885 1.035 1.00 0.00 C ATOM 0 H LEU A 25 10.274 4.151 -0.670 1.00 0.00 H new ATOM 0 HA LEU A 25 9.780 2.870 1.789 1.00 0.00 H new ATOM 0 HB2 LEU A 25 9.756 2.178 -1.097 1.00 0.00 H new ATOM 0 HB3 LEU A 25 9.982 0.824 -0.008 1.00 0.00 H new ATOM 0 HG LEU A 25 7.576 1.867 -0.831 1.00 0.00 H new ATOM 0 HD11 LEU A 25 6.589 0.371 0.874 1.00 0.00 H new ATOM 0 HD12 LEU A 25 7.965 -0.388 0.040 1.00 0.00 H new ATOM 0 HD13 LEU A 25 8.170 0.264 1.683 1.00 0.00 H new ATOM 0 HD21 LEU A 25 6.491 2.801 1.170 1.00 0.00 H new ATOM 0 HD22 LEU A 25 8.062 2.821 2.005 1.00 0.00 H new ATOM 0 HD23 LEU A 25 7.803 3.843 0.572 1.00 0.00 H new ATOM 384 N LEU A 26 12.548 1.988 0.167 1.00 0.00 N ATOM 385 CA LEU A 26 13.865 1.380 0.316 1.00 0.00 C ATOM 386 C LEU A 26 14.648 2.042 1.445 1.00 0.00 C ATOM 387 O LEU A 26 15.445 1.394 2.124 1.00 0.00 O ATOM 388 CB LEU A 26 14.647 1.487 -0.993 1.00 0.00 C ATOM 389 CG LEU A 26 15.532 0.284 -1.318 1.00 0.00 C ATOM 390 CD1 LEU A 26 15.364 -0.124 -2.773 1.00 0.00 C ATOM 391 CD2 LEU A 26 16.988 0.599 -1.014 1.00 0.00 C ATOM 0 H LEU A 26 12.347 2.334 -0.771 1.00 0.00 H new ATOM 0 HA LEU A 26 13.726 0.328 0.565 1.00 0.00 H new ATOM 0 HB2 LEU A 26 13.940 1.630 -1.810 1.00 0.00 H new ATOM 0 HB3 LEU A 26 15.273 2.379 -0.953 1.00 0.00 H new ATOM 0 HG LEU A 26 15.223 -0.552 -0.691 1.00 0.00 H new ATOM 0 HD11 LEU A 26 16.002 -0.982 -2.986 1.00 0.00 H new ATOM 0 HD12 LEU A 26 14.323 -0.390 -2.958 1.00 0.00 H new ATOM 0 HD13 LEU A 26 15.646 0.707 -3.419 1.00 0.00 H new ATOM 0 HD21 LEU A 26 17.605 -0.268 -1.251 1.00 0.00 H new ATOM 0 HD22 LEU A 26 17.310 1.449 -1.616 1.00 0.00 H new ATOM 0 HD23 LEU A 26 17.095 0.842 0.043 1.00 0.00 H new ATOM 403 N ASP A 27 14.419 3.337 1.639 1.00 0.00 N ATOM 404 CA ASP A 27 15.105 4.087 2.684 1.00 0.00 C ATOM 405 C ASP A 27 14.887 3.447 4.052 1.00 0.00 C ATOM 406 O ASP A 27 15.822 3.311 4.840 1.00 0.00 O ATOM 407 CB ASP A 27 14.616 5.537 2.704 1.00 0.00 C ATOM 408 CG ASP A 27 15.600 6.469 3.383 1.00 0.00 C ATOM 409 OD1 ASP A 27 16.666 5.990 3.823 1.00 0.00 O ATOM 410 OD2 ASP A 27 15.305 7.680 3.474 1.00 0.00 O ATOM 0 H ASP A 27 13.763 3.889 1.086 1.00 0.00 H new ATOM 0 HA ASP A 27 16.172 4.071 2.464 1.00 0.00 H new ATOM 0 HB2 ASP A 27 14.446 5.875 1.682 1.00 0.00 H new ATOM 0 HB3 ASP A 27 13.657 5.587 3.220 1.00 0.00 H new ATOM 415 N THR A 28 13.647 3.057 4.326 1.00 0.00 N ATOM 416 CA THR A 28 13.306 2.432 5.600 1.00 0.00 C ATOM 417 C THR A 28 14.121 1.163 5.823 1.00 0.00 C ATOM 418 O THR A 28 14.773 1.003 6.855 1.00 0.00 O ATOM 419 CB THR A 28 11.814 2.099 5.648 1.00 0.00 C ATOM 420 OG1 THR A 28 11.598 0.727 5.369 1.00 0.00 O ATOM 421 CG2 THR A 28 10.986 2.900 4.667 1.00 0.00 C ATOM 0 H THR A 28 12.861 3.162 3.684 1.00 0.00 H new ATOM 0 HA THR A 28 13.542 3.141 6.393 1.00 0.00 H new ATOM 0 HB THR A 28 11.496 2.354 6.659 1.00 0.00 H new ATOM 0 HG1 THR A 28 11.697 0.569 4.407 1.00 0.00 H new ATOM 0 HG21 THR A 28 9.938 2.613 4.755 1.00 0.00 H new ATOM 0 HG22 THR A 28 11.090 3.963 4.885 1.00 0.00 H new ATOM 0 HG23 THR A 28 11.332 2.702 3.652 1.00 0.00 H new ATOM 429 N GLY A 29 14.070 0.261 4.851 1.00 0.00 N ATOM 430 CA GLY A 29 14.798 -0.991 4.958 1.00 0.00 C ATOM 431 C GLY A 29 14.036 -2.024 5.763 1.00 0.00 C ATOM 432 O GLY A 29 14.419 -2.352 6.886 1.00 0.00 O ATOM 0 H GLY A 29 13.537 0.373 3.989 1.00 0.00 H new ATOM 0 HA2 GLY A 29 14.995 -1.382 3.960 1.00 0.00 H new ATOM 0 HA3 GLY A 29 15.766 -0.809 5.425 1.00 0.00 H new ATOM 436 N LYS A 30 12.947 -2.529 5.192 1.00 0.00 N ATOM 437 CA LYS A 30 12.119 -3.522 5.868 1.00 0.00 C ATOM 438 C LYS A 30 11.612 -4.580 4.903 1.00 0.00 C ATOM 439 O LYS A 30 11.452 -4.323 3.710 1.00 0.00 O ATOM 440 CB LYS A 30 10.919 -2.845 6.527 1.00 0.00 C ATOM 441 CG LYS A 30 11.236 -2.194 7.857 1.00 0.00 C ATOM 442 CD LYS A 30 11.859 -0.820 7.675 1.00 0.00 C ATOM 443 CE LYS A 30 12.048 -0.114 9.008 1.00 0.00 C ATOM 444 NZ LYS A 30 11.909 -1.050 10.157 1.00 0.00 N ATOM 0 H LYS A 30 12.617 -2.267 4.263 1.00 0.00 H new ATOM 0 HA LYS A 30 12.742 -4.004 6.621 1.00 0.00 H new ATOM 0 HB2 LYS A 30 10.523 -2.089 5.849 1.00 0.00 H new ATOM 0 HB3 LYS A 30 10.132 -3.585 6.674 1.00 0.00 H new ATOM 0 HG2 LYS A 30 10.323 -2.105 8.445 1.00 0.00 H new ATOM 0 HG3 LYS A 30 11.917 -2.831 8.421 1.00 0.00 H new ATOM 0 HD2 LYS A 30 12.822 -0.919 7.175 1.00 0.00 H new ATOM 0 HD3 LYS A 30 11.225 -0.214 7.028 1.00 0.00 H new ATOM 0 HE2 LYS A 30 13.033 0.351 9.036 1.00 0.00 H new ATOM 0 HE3 LYS A 30 11.315 0.687 9.102 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 12.128 -0.549 11.042 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 10.934 -1.410 10.195 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 12.568 -1.846 10.038 1.00 0.00 H new ATOM 458 N GLU A 31 11.326 -5.765 5.434 1.00 0.00 N ATOM 459 CA GLU A 31 10.798 -6.849 4.623 1.00 0.00 C ATOM 460 C GLU A 31 9.292 -6.679 4.477 1.00 0.00 C ATOM 461 O GLU A 31 8.541 -6.865 5.435 1.00 0.00 O ATOM 462 CB GLU A 31 11.117 -8.203 5.261 1.00 0.00 C ATOM 463 CG GLU A 31 10.206 -8.556 6.426 1.00 0.00 C ATOM 464 CD GLU A 31 10.856 -9.516 7.403 1.00 0.00 C ATOM 465 OE1 GLU A 31 11.785 -9.093 8.123 1.00 0.00 O ATOM 466 OE2 GLU A 31 10.435 -10.691 7.450 1.00 0.00 O ATOM 0 H GLU A 31 11.452 -5.995 6.420 1.00 0.00 H new ATOM 0 HA GLU A 31 11.265 -6.819 3.639 1.00 0.00 H new ATOM 0 HB2 GLU A 31 11.039 -8.981 4.501 1.00 0.00 H new ATOM 0 HB3 GLU A 31 12.151 -8.198 5.607 1.00 0.00 H new ATOM 0 HG2 GLU A 31 9.924 -7.644 6.952 1.00 0.00 H new ATOM 0 HG3 GLU A 31 9.287 -9.000 6.043 1.00 0.00 H new ATOM 473 N GLY A 32 8.857 -6.301 3.283 1.00 0.00 N ATOM 474 CA GLY A 32 7.451 -6.088 3.046 1.00 0.00 C ATOM 475 C GLY A 32 7.040 -4.664 3.356 1.00 0.00 C ATOM 476 O GLY A 32 5.849 -4.355 3.402 1.00 0.00 O ATOM 0 H GLY A 32 9.458 -6.139 2.475 1.00 0.00 H new ATOM 0 HA2 GLY A 32 7.219 -6.315 2.006 1.00 0.00 H new ATOM 0 HA3 GLY A 32 6.870 -6.776 3.660 1.00 0.00 H new ATOM 480 N ALA A 33 8.025 -3.786 3.565 1.00 0.00 N ATOM 481 CA ALA A 33 7.732 -2.399 3.860 1.00 0.00 C ATOM 482 C ALA A 33 6.506 -1.977 3.092 1.00 0.00 C ATOM 483 O ALA A 33 6.404 -2.216 1.889 1.00 0.00 O ATOM 484 CB ALA A 33 8.910 -1.507 3.525 1.00 0.00 C ATOM 0 H ALA A 33 9.018 -4.016 3.534 1.00 0.00 H new ATOM 0 HA ALA A 33 7.542 -2.297 4.928 1.00 0.00 H new ATOM 0 HB1 ALA A 33 8.660 -0.472 3.757 1.00 0.00 H new ATOM 0 HB2 ALA A 33 9.776 -1.812 4.113 1.00 0.00 H new ATOM 0 HB3 ALA A 33 9.143 -1.595 2.464 1.00 0.00 H new ATOM 490 N PHE A 34 5.569 -1.376 3.794 1.00 0.00 N ATOM 491 CA PHE A 34 4.329 -0.951 3.177 1.00 0.00 C ATOM 492 C PHE A 34 4.172 0.553 3.179 1.00 0.00 C ATOM 493 O PHE A 34 4.658 1.247 4.067 1.00 0.00 O ATOM 494 CB PHE A 34 3.145 -1.576 3.889 1.00 0.00 C ATOM 495 CG PHE A 34 1.861 -0.845 3.609 1.00 0.00 C ATOM 496 CD1 PHE A 34 1.436 -0.654 2.307 1.00 0.00 C ATOM 497 CD2 PHE A 34 1.084 -0.340 4.631 1.00 0.00 C ATOM 498 CE1 PHE A 34 0.269 0.025 2.033 1.00 0.00 C ATOM 499 CE2 PHE A 34 -0.072 0.334 4.360 1.00 0.00 C ATOM 500 CZ PHE A 34 -0.486 0.523 3.065 1.00 0.00 C ATOM 0 H PHE A 34 5.641 -1.171 4.791 1.00 0.00 H new ATOM 0 HA PHE A 34 4.362 -1.285 2.140 1.00 0.00 H new ATOM 0 HB2 PHE A 34 3.044 -2.616 3.578 1.00 0.00 H new ATOM 0 HB3 PHE A 34 3.331 -1.581 4.963 1.00 0.00 H new ATOM 0 HD1 PHE A 34 2.028 -1.043 1.492 1.00 0.00 H new ATOM 0 HD2 PHE A 34 1.393 -0.479 5.656 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -0.050 0.165 1.011 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -0.667 0.723 5.173 1.00 0.00 H new ATOM 0 HZ PHE A 34 -1.400 1.060 2.860 1.00 0.00 H new ATOM 510 N MET A 35 3.474 1.042 2.173 1.00 0.00 N ATOM 511 CA MET A 35 3.219 2.461 2.039 1.00 0.00 C ATOM 512 C MET A 35 2.021 2.693 1.133 1.00 0.00 C ATOM 513 O MET A 35 1.557 1.770 0.467 1.00 0.00 O ATOM 514 CB MET A 35 4.447 3.164 1.478 1.00 0.00 C ATOM 515 CG MET A 35 4.176 4.586 1.048 1.00 0.00 C ATOM 516 SD MET A 35 5.643 5.394 0.412 1.00 0.00 S ATOM 517 CE MET A 35 6.490 5.722 1.951 1.00 0.00 C ATOM 0 H MET A 35 3.070 0.471 1.431 1.00 0.00 H new ATOM 0 HA MET A 35 2.999 2.874 3.024 1.00 0.00 H new ATOM 0 HB2 MET A 35 5.234 3.163 2.232 1.00 0.00 H new ATOM 0 HB3 MET A 35 4.823 2.599 0.625 1.00 0.00 H new ATOM 0 HG2 MET A 35 3.400 4.590 0.282 1.00 0.00 H new ATOM 0 HG3 MET A 35 3.790 5.152 1.896 1.00 0.00 H new ATOM 0 HE1 MET A 35 7.052 6.652 1.866 1.00 0.00 H new ATOM 0 HE2 MET A 35 5.760 5.811 2.756 1.00 0.00 H new ATOM 0 HE3 MET A 35 7.175 4.903 2.171 1.00 0.00 H new ATOM 527 N VAL A 36 1.525 3.921 1.102 1.00 0.00 N ATOM 528 CA VAL A 36 0.382 4.244 0.257 1.00 0.00 C ATOM 529 C VAL A 36 0.497 5.639 -0.325 1.00 0.00 C ATOM 530 O VAL A 36 1.112 6.524 0.268 1.00 0.00 O ATOM 531 CB VAL A 36 -0.951 4.117 1.006 1.00 0.00 C ATOM 532 CG1 VAL A 36 -2.107 4.555 0.120 1.00 0.00 C ATOM 533 CG2 VAL A 36 -1.143 2.687 1.468 1.00 0.00 C ATOM 0 H VAL A 36 1.890 4.703 1.645 1.00 0.00 H new ATOM 0 HA VAL A 36 0.392 3.515 -0.553 1.00 0.00 H new ATOM 0 HB VAL A 36 -0.931 4.770 1.878 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -3.044 4.458 0.669 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -1.966 5.595 -0.175 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -2.141 3.927 -0.770 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -2.091 2.601 2.000 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -1.150 2.023 0.603 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -0.327 2.407 2.134 1.00 0.00 H new ATOM 543 N ARG A 37 -0.084 5.823 -1.501 1.00 0.00 N ATOM 544 CA ARG A 37 -0.027 7.110 -2.171 1.00 0.00 C ATOM 545 C ARG A 37 -1.286 7.376 -2.988 1.00 0.00 C ATOM 546 O ARG A 37 -1.771 6.503 -3.708 1.00 0.00 O ATOM 547 CB ARG A 37 1.209 7.157 -3.061 1.00 0.00 C ATOM 548 CG ARG A 37 0.914 6.998 -4.540 1.00 0.00 C ATOM 549 CD ARG A 37 1.876 6.011 -5.175 1.00 0.00 C ATOM 550 NE ARG A 37 1.803 6.032 -6.635 1.00 0.00 N ATOM 551 CZ ARG A 37 2.033 7.113 -7.373 1.00 0.00 C ATOM 552 NH1 ARG A 37 2.373 8.256 -6.795 1.00 0.00 N ATOM 553 NH2 ARG A 37 1.929 7.050 -8.693 1.00 0.00 N ATOM 0 H ARG A 37 -0.597 5.101 -2.007 1.00 0.00 H new ATOM 0 HA ARG A 37 0.035 7.892 -1.414 1.00 0.00 H new ATOM 0 HB2 ARG A 37 1.721 8.106 -2.904 1.00 0.00 H new ATOM 0 HB3 ARG A 37 1.896 6.369 -2.752 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -0.111 6.654 -4.677 1.00 0.00 H new ATOM 0 HG3 ARG A 37 0.995 7.964 -5.038 1.00 0.00 H new ATOM 0 HD2 ARG A 37 2.893 6.244 -4.860 1.00 0.00 H new ATOM 0 HD3 ARG A 37 1.653 5.006 -4.816 1.00 0.00 H new ATOM 0 HE ARG A 37 1.561 5.166 -7.116 1.00 0.00 H new ATOM 0 HH11 ARG A 37 2.459 8.308 -5.780 1.00 0.00 H new ATOM 0 HH12 ARG A 37 2.549 9.083 -7.365 1.00 0.00 H new ATOM 0 HH21 ARG A 37 1.672 6.171 -9.143 1.00 0.00 H new ATOM 0 HH22 ARG A 37 2.106 7.880 -9.259 1.00 0.00 H new ATOM 567 N ASP A 38 -1.808 8.591 -2.866 1.00 0.00 N ATOM 568 CA ASP A 38 -3.011 8.984 -3.588 1.00 0.00 C ATOM 569 C ASP A 38 -2.792 8.909 -5.093 1.00 0.00 C ATOM 570 O ASP A 38 -1.681 9.117 -5.581 1.00 0.00 O ATOM 571 CB ASP A 38 -3.438 10.397 -3.188 1.00 0.00 C ATOM 572 CG ASP A 38 -4.893 10.674 -3.510 1.00 0.00 C ATOM 573 OD1 ASP A 38 -5.277 10.536 -4.690 1.00 0.00 O ATOM 574 OD2 ASP A 38 -5.649 11.029 -2.581 1.00 0.00 O ATOM 0 H ASP A 38 -1.416 9.322 -2.272 1.00 0.00 H new ATOM 0 HA ASP A 38 -3.806 8.287 -3.322 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -3.273 10.535 -2.119 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -2.810 11.123 -3.704 1.00 0.00 H new ATOM 579 N SER A 39 -3.857 8.599 -5.822 1.00 0.00 N ATOM 580 CA SER A 39 -3.779 8.482 -7.271 1.00 0.00 C ATOM 581 C SER A 39 -4.964 9.160 -7.950 1.00 0.00 C ATOM 582 O SER A 39 -5.288 8.855 -9.097 1.00 0.00 O ATOM 583 CB SER A 39 -3.737 7.007 -7.663 1.00 0.00 C ATOM 584 OG SER A 39 -2.402 6.549 -7.789 1.00 0.00 O ATOM 0 H SER A 39 -4.784 8.424 -5.433 1.00 0.00 H new ATOM 0 HA SER A 39 -2.869 8.982 -7.603 1.00 0.00 H new ATOM 0 HB2 SER A 39 -4.259 6.413 -6.912 1.00 0.00 H new ATOM 0 HB3 SER A 39 -4.264 6.863 -8.606 1.00 0.00 H new ATOM 0 HG SER A 39 -2.393 5.569 -7.816 1.00 0.00 H new ATOM 590 N ARG A 40 -5.614 10.077 -7.240 1.00 0.00 N ATOM 591 CA ARG A 40 -6.766 10.782 -7.791 1.00 0.00 C ATOM 592 C ARG A 40 -7.555 9.864 -8.719 1.00 0.00 C ATOM 593 O ARG A 40 -8.237 10.322 -9.635 1.00 0.00 O ATOM 594 CB ARG A 40 -6.313 12.031 -8.549 1.00 0.00 C ATOM 595 CG ARG A 40 -7.161 13.259 -8.260 1.00 0.00 C ATOM 596 CD ARG A 40 -6.885 14.374 -9.255 1.00 0.00 C ATOM 597 NE ARG A 40 -5.479 14.420 -9.649 1.00 0.00 N ATOM 598 CZ ARG A 40 -4.484 14.648 -8.798 1.00 0.00 C ATOM 599 NH1 ARG A 40 -4.740 14.850 -7.513 1.00 0.00 N ATOM 600 NH2 ARG A 40 -3.231 14.675 -9.232 1.00 0.00 N ATOM 0 H ARG A 40 -5.365 10.348 -6.289 1.00 0.00 H new ATOM 0 HA ARG A 40 -7.411 11.087 -6.967 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -5.276 12.247 -8.291 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -6.339 11.826 -9.619 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -8.217 12.990 -8.297 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -6.957 13.613 -7.249 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -7.505 14.232 -10.140 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -7.170 15.330 -8.816 1.00 0.00 H new ATOM 0 HE ARG A 40 -5.248 14.269 -10.631 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -5.702 14.831 -7.176 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -3.975 15.025 -6.862 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -3.030 14.521 -10.220 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -2.468 14.850 -8.578 1.00 0.00 H new ATOM 614 N THR A 41 -7.450 8.563 -8.469 1.00 0.00 N ATOM 615 CA THR A 41 -8.142 7.561 -9.271 1.00 0.00 C ATOM 616 C THR A 41 -9.604 7.442 -8.838 1.00 0.00 C ATOM 617 O THR A 41 -10.124 8.322 -8.153 1.00 0.00 O ATOM 618 CB THR A 41 -7.423 6.218 -9.137 1.00 0.00 C ATOM 619 OG1 THR A 41 -7.508 5.473 -10.339 1.00 0.00 O ATOM 620 CG2 THR A 41 -7.960 5.357 -8.014 1.00 0.00 C ATOM 0 H THR A 41 -6.888 8.176 -7.711 1.00 0.00 H new ATOM 0 HA THR A 41 -8.129 7.866 -10.317 1.00 0.00 H new ATOM 0 HB THR A 41 -6.387 6.471 -8.910 1.00 0.00 H new ATOM 0 HG1 THR A 41 -7.183 4.562 -10.183 1.00 0.00 H new ATOM 0 HG21 THR A 41 -7.405 4.420 -7.976 1.00 0.00 H new ATOM 0 HG22 THR A 41 -7.848 5.884 -7.066 1.00 0.00 H new ATOM 0 HG23 THR A 41 -9.015 5.147 -8.189 1.00 0.00 H new ATOM 628 N PRO A 42 -10.294 6.357 -9.237 1.00 0.00 N ATOM 629 CA PRO A 42 -11.705 6.142 -8.889 1.00 0.00 C ATOM 630 C PRO A 42 -12.018 6.403 -7.414 1.00 0.00 C ATOM 631 O PRO A 42 -13.130 6.139 -6.957 1.00 0.00 O ATOM 632 CB PRO A 42 -11.922 4.670 -9.232 1.00 0.00 C ATOM 633 CG PRO A 42 -10.978 4.414 -10.353 1.00 0.00 C ATOM 634 CD PRO A 42 -9.765 5.260 -10.072 1.00 0.00 C ATOM 0 HA PRO A 42 -12.359 6.831 -9.424 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -11.710 4.027 -8.378 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -12.953 4.478 -9.528 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -10.714 3.358 -10.408 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -11.427 4.680 -11.310 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -8.994 4.694 -9.549 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -9.317 5.636 -10.991 1.00 0.00 H new ATOM 642 N GLY A 43 -11.046 6.929 -6.673 1.00 0.00 N ATOM 643 CA GLY A 43 -11.265 7.216 -5.268 1.00 0.00 C ATOM 644 C GLY A 43 -10.443 6.339 -4.346 1.00 0.00 C ATOM 645 O GLY A 43 -10.738 6.237 -3.156 1.00 0.00 O ATOM 0 H GLY A 43 -10.115 7.160 -7.020 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -11.024 8.261 -5.075 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -12.322 7.085 -5.037 1.00 0.00 H new ATOM 649 N THR A 44 -9.416 5.698 -4.891 1.00 0.00 N ATOM 650 CA THR A 44 -8.566 4.824 -4.094 1.00 0.00 C ATOM 651 C THR A 44 -7.233 5.474 -3.758 1.00 0.00 C ATOM 652 O THR A 44 -7.049 6.682 -3.905 1.00 0.00 O ATOM 653 CB THR A 44 -8.299 3.507 -4.818 1.00 0.00 C ATOM 654 OG1 THR A 44 -6.926 3.167 -4.738 1.00 0.00 O ATOM 655 CG2 THR A 44 -8.672 3.516 -6.284 1.00 0.00 C ATOM 0 H THR A 44 -9.153 5.766 -5.874 1.00 0.00 H new ATOM 0 HA THR A 44 -9.108 4.633 -3.167 1.00 0.00 H new ATOM 0 HB THR A 44 -8.933 2.779 -4.311 1.00 0.00 H new ATOM 0 HG1 THR A 44 -6.723 2.468 -5.395 1.00 0.00 H new ATOM 0 HG21 THR A 44 -8.450 2.543 -6.722 1.00 0.00 H new ATOM 0 HG22 THR A 44 -9.737 3.726 -6.387 1.00 0.00 H new ATOM 0 HG23 THR A 44 -8.098 4.286 -6.801 1.00 0.00 H new ATOM 663 N TYR A 45 -6.305 4.637 -3.311 1.00 0.00 N ATOM 664 CA TYR A 45 -4.969 5.070 -2.950 1.00 0.00 C ATOM 665 C TYR A 45 -3.943 4.024 -3.374 1.00 0.00 C ATOM 666 O TYR A 45 -4.282 2.857 -3.588 1.00 0.00 O ATOM 667 CB TYR A 45 -4.872 5.316 -1.445 1.00 0.00 C ATOM 668 CG TYR A 45 -6.015 6.130 -0.895 1.00 0.00 C ATOM 669 CD1 TYR A 45 -7.301 5.620 -0.895 1.00 0.00 C ATOM 670 CD2 TYR A 45 -5.808 7.402 -0.377 1.00 0.00 C ATOM 671 CE1 TYR A 45 -8.359 6.351 -0.395 1.00 0.00 C ATOM 672 CE2 TYR A 45 -6.860 8.142 0.128 1.00 0.00 C ATOM 673 CZ TYR A 45 -8.134 7.613 0.116 1.00 0.00 C ATOM 674 OH TYR A 45 -9.186 8.346 0.617 1.00 0.00 O ATOM 0 H TYR A 45 -6.462 3.637 -3.190 1.00 0.00 H new ATOM 0 HA TYR A 45 -4.759 6.005 -3.470 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -4.838 4.356 -0.929 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -3.934 5.828 -1.228 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -7.480 4.632 -1.293 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -4.811 7.818 -0.369 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -9.357 5.938 -0.403 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -6.686 9.129 0.530 1.00 0.00 H new ATOM 0 HH TYR A 45 -8.858 9.212 0.939 1.00 0.00 H new ATOM 684 N THR A 46 -2.693 4.444 -3.499 1.00 0.00 N ATOM 685 CA THR A 46 -1.623 3.538 -3.894 1.00 0.00 C ATOM 686 C THR A 46 -0.941 2.955 -2.661 1.00 0.00 C ATOM 687 O THR A 46 -0.910 3.594 -1.614 1.00 0.00 O ATOM 688 CB THR A 46 -0.608 4.272 -4.765 1.00 0.00 C ATOM 689 OG1 THR A 46 -1.262 5.008 -5.784 1.00 0.00 O ATOM 690 CG2 THR A 46 0.375 3.339 -5.432 1.00 0.00 C ATOM 0 H THR A 46 -2.394 5.405 -3.333 1.00 0.00 H new ATOM 0 HA THR A 46 -2.052 2.719 -4.472 1.00 0.00 H new ATOM 0 HB THR A 46 -0.064 4.934 -4.091 1.00 0.00 H new ATOM 0 HG1 THR A 46 -1.744 5.762 -5.385 1.00 0.00 H new ATOM 0 HG21 THR A 46 1.072 3.918 -6.038 1.00 0.00 H new ATOM 0 HG22 THR A 46 0.927 2.788 -4.671 1.00 0.00 H new ATOM 0 HG23 THR A 46 -0.164 2.638 -6.069 1.00 0.00 H new ATOM 698 N VAL A 47 -0.406 1.740 -2.785 1.00 0.00 N ATOM 699 CA VAL A 47 0.259 1.081 -1.663 1.00 0.00 C ATOM 700 C VAL A 47 1.666 0.625 -2.022 1.00 0.00 C ATOM 701 O VAL A 47 1.845 -0.278 -2.837 1.00 0.00 O ATOM 702 CB VAL A 47 -0.525 -0.156 -1.176 1.00 0.00 C ATOM 703 CG1 VAL A 47 0.376 -1.066 -0.347 1.00 0.00 C ATOM 704 CG2 VAL A 47 -1.751 0.259 -0.379 1.00 0.00 C ATOM 0 H VAL A 47 -0.420 1.195 -3.647 1.00 0.00 H new ATOM 0 HA VAL A 47 0.303 1.829 -0.871 1.00 0.00 H new ATOM 0 HB VAL A 47 -0.864 -0.712 -2.050 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -0.193 -1.933 -0.012 1.00 0.00 H new ATOM 0 HG12 VAL A 47 1.218 -1.397 -0.956 1.00 0.00 H new ATOM 0 HG13 VAL A 47 0.748 -0.519 0.519 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -2.287 -0.630 -0.047 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -1.441 0.841 0.489 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -2.405 0.864 -1.007 1.00 0.00 H new ATOM 714 N SER A 48 2.662 1.224 -1.384 1.00 0.00 N ATOM 715 CA SER A 48 4.045 0.836 -1.623 1.00 0.00 C ATOM 716 C SER A 48 4.420 -0.312 -0.692 1.00 0.00 C ATOM 717 O SER A 48 4.250 -0.215 0.527 1.00 0.00 O ATOM 718 CB SER A 48 5.007 2.013 -1.418 1.00 0.00 C ATOM 719 OG SER A 48 5.645 2.364 -2.633 1.00 0.00 O ATOM 0 H SER A 48 2.540 1.974 -0.703 1.00 0.00 H new ATOM 0 HA SER A 48 4.133 0.515 -2.661 1.00 0.00 H new ATOM 0 HB2 SER A 48 4.459 2.872 -1.029 1.00 0.00 H new ATOM 0 HB3 SER A 48 5.757 1.749 -0.672 1.00 0.00 H new ATOM 0 HG SER A 48 6.477 1.854 -2.725 1.00 0.00 H new ATOM 725 N VAL A 49 4.917 -1.397 -1.275 1.00 0.00 N ATOM 726 CA VAL A 49 5.312 -2.572 -0.507 1.00 0.00 C ATOM 727 C VAL A 49 6.682 -3.069 -0.959 1.00 0.00 C ATOM 728 O VAL A 49 6.857 -3.456 -2.115 1.00 0.00 O ATOM 729 CB VAL A 49 4.282 -3.709 -0.654 1.00 0.00 C ATOM 730 CG1 VAL A 49 2.881 -3.201 -0.355 1.00 0.00 C ATOM 731 CG2 VAL A 49 4.350 -4.315 -2.048 1.00 0.00 C ATOM 0 H VAL A 49 5.056 -1.487 -2.281 1.00 0.00 H new ATOM 0 HA VAL A 49 5.359 -2.278 0.541 1.00 0.00 H new ATOM 0 HB VAL A 49 4.524 -4.489 0.068 1.00 0.00 H new ATOM 0 HG11 VAL A 49 2.167 -4.017 -0.464 1.00 0.00 H new ATOM 0 HG12 VAL A 49 2.843 -2.819 0.665 1.00 0.00 H new ATOM 0 HG13 VAL A 49 2.627 -2.402 -1.052 1.00 0.00 H new ATOM 0 HG21 VAL A 49 3.616 -5.116 -2.133 1.00 0.00 H new ATOM 0 HG22 VAL A 49 4.135 -3.546 -2.790 1.00 0.00 H new ATOM 0 HG23 VAL A 49 5.348 -4.718 -2.221 1.00 0.00 H new ATOM 741 N PHE A 50 7.658 -3.038 -0.055 1.00 0.00 N ATOM 742 CA PHE A 50 9.013 -3.469 -0.395 1.00 0.00 C ATOM 743 C PHE A 50 9.692 -4.219 0.751 1.00 0.00 C ATOM 744 O PHE A 50 9.480 -3.919 1.933 1.00 0.00 O ATOM 745 CB PHE A 50 9.860 -2.269 -0.815 1.00 0.00 C ATOM 746 CG PHE A 50 10.810 -1.799 0.243 1.00 0.00 C ATOM 747 CD1 PHE A 50 10.353 -1.061 1.319 1.00 0.00 C ATOM 748 CD2 PHE A 50 12.161 -2.089 0.157 1.00 0.00 C ATOM 749 CE1 PHE A 50 11.225 -0.618 2.292 1.00 0.00 C ATOM 750 CE2 PHE A 50 13.039 -1.650 1.127 1.00 0.00 C ATOM 751 CZ PHE A 50 12.570 -0.913 2.196 1.00 0.00 C ATOM 0 H PHE A 50 7.540 -2.723 0.908 1.00 0.00 H new ATOM 0 HA PHE A 50 8.928 -4.165 -1.230 1.00 0.00 H new ATOM 0 HB2 PHE A 50 10.427 -2.531 -1.708 1.00 0.00 H new ATOM 0 HB3 PHE A 50 9.198 -1.447 -1.087 1.00 0.00 H new ATOM 0 HD1 PHE A 50 9.301 -0.829 1.399 1.00 0.00 H new ATOM 0 HD2 PHE A 50 12.532 -2.665 -0.678 1.00 0.00 H new ATOM 0 HE1 PHE A 50 10.856 -0.041 3.127 1.00 0.00 H new ATOM 0 HE2 PHE A 50 14.091 -1.883 1.050 1.00 0.00 H new ATOM 0 HZ PHE A 50 13.255 -0.568 2.956 1.00 0.00 H new ATOM 761 N THR A 51 10.508 -5.207 0.383 1.00 0.00 N ATOM 762 CA THR A 51 11.229 -6.020 1.361 1.00 0.00 C ATOM 763 C THR A 51 12.687 -6.133 1.031 1.00 0.00 C ATOM 764 O THR A 51 13.059 -6.955 0.193 1.00 0.00 O ATOM 765 CB THR A 51 10.698 -7.437 1.347 1.00 0.00 C ATOM 766 OG1 THR A 51 11.768 -8.363 1.268 1.00 0.00 O ATOM 767 CG2 THR A 51 9.777 -7.713 0.183 1.00 0.00 C ATOM 0 H THR A 51 10.686 -5.464 -0.588 1.00 0.00 H new ATOM 0 HA THR A 51 11.091 -5.531 2.325 1.00 0.00 H new ATOM 0 HB THR A 51 10.136 -7.551 2.274 1.00 0.00 H new ATOM 0 HG1 THR A 51 12.202 -8.288 0.393 1.00 0.00 H new ATOM 0 HG21 THR A 51 9.430 -8.745 0.230 1.00 0.00 H new ATOM 0 HG22 THR A 51 8.921 -7.040 0.229 1.00 0.00 H new ATOM 0 HG23 THR A 51 10.314 -7.553 -0.752 1.00 0.00 H new ATOM 775 N LYS A 52 13.538 -5.374 1.689 1.00 0.00 N ATOM 776 CA LYS A 52 14.922 -5.532 1.404 1.00 0.00 C ATOM 777 C LYS A 52 15.185 -7.014 1.119 1.00 0.00 C ATOM 778 O LYS A 52 15.279 -7.853 2.014 1.00 0.00 O ATOM 779 CB LYS A 52 15.778 -5.053 2.578 1.00 0.00 C ATOM 780 CG LYS A 52 17.129 -5.742 2.668 1.00 0.00 C ATOM 781 CD LYS A 52 18.208 -4.948 1.950 1.00 0.00 C ATOM 782 CE LYS A 52 18.538 -3.662 2.691 1.00 0.00 C ATOM 783 NZ LYS A 52 17.915 -2.474 2.045 1.00 0.00 N ATOM 0 H LYS A 52 13.298 -4.675 2.392 1.00 0.00 H new ATOM 0 HA LYS A 52 15.191 -4.929 0.536 1.00 0.00 H new ATOM 0 HB2 LYS A 52 15.933 -3.978 2.488 1.00 0.00 H new ATOM 0 HB3 LYS A 52 15.232 -5.220 3.507 1.00 0.00 H new ATOM 0 HG2 LYS A 52 17.405 -5.869 3.715 1.00 0.00 H new ATOM 0 HG3 LYS A 52 17.060 -6.739 2.234 1.00 0.00 H new ATOM 0 HD2 LYS A 52 19.108 -5.556 1.856 1.00 0.00 H new ATOM 0 HD3 LYS A 52 17.876 -4.712 0.939 1.00 0.00 H new ATOM 0 HE2 LYS A 52 18.192 -3.738 3.722 1.00 0.00 H new ATOM 0 HE3 LYS A 52 19.619 -3.531 2.727 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 18.019 -1.646 2.666 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 18.385 -2.286 1.137 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 16.905 -2.658 1.880 1.00 0.00 H new ATOM 797 N ALA A 53 15.324 -7.269 -0.171 1.00 0.00 N ATOM 798 CA ALA A 53 15.609 -8.589 -0.699 1.00 0.00 C ATOM 799 C ALA A 53 16.195 -8.513 -2.106 1.00 0.00 C ATOM 800 O ALA A 53 16.548 -7.436 -2.585 1.00 0.00 O ATOM 801 CB ALA A 53 14.344 -9.432 -0.695 1.00 0.00 C ATOM 0 H ALA A 53 15.240 -6.552 -0.891 1.00 0.00 H new ATOM 0 HA ALA A 53 16.355 -9.058 -0.057 1.00 0.00 H new ATOM 0 HB1 ALA A 53 14.565 -10.422 -1.093 1.00 0.00 H new ATOM 0 HB2 ALA A 53 13.972 -9.526 0.325 1.00 0.00 H new ATOM 0 HB3 ALA A 53 13.586 -8.953 -1.315 1.00 0.00 H new ATOM 807 N ILE A 54 16.295 -9.665 -2.761 1.00 0.00 N ATOM 808 CA ILE A 54 16.838 -9.734 -4.113 1.00 0.00 C ATOM 809 C ILE A 54 18.194 -9.044 -4.200 1.00 0.00 C ATOM 810 O ILE A 54 18.332 -7.875 -3.839 1.00 0.00 O ATOM 811 CB ILE A 54 15.883 -9.092 -5.137 1.00 0.00 C ATOM 812 CG1 ILE A 54 14.480 -9.687 -5.004 1.00 0.00 C ATOM 813 CG2 ILE A 54 16.415 -9.285 -6.550 1.00 0.00 C ATOM 814 CD1 ILE A 54 13.583 -8.913 -4.063 1.00 0.00 C ATOM 0 H ILE A 54 16.007 -10.565 -2.377 1.00 0.00 H new ATOM 0 HA ILE A 54 16.956 -10.791 -4.349 1.00 0.00 H new ATOM 0 HB ILE A 54 15.823 -8.023 -4.934 1.00 0.00 H new ATOM 0 HG12 ILE A 54 14.015 -9.724 -5.989 1.00 0.00 H new ATOM 0 HG13 ILE A 54 14.562 -10.715 -4.652 1.00 0.00 H new ATOM 0 HG21 ILE A 54 15.730 -8.826 -7.263 1.00 0.00 H new ATOM 0 HG22 ILE A 54 17.396 -8.817 -6.637 1.00 0.00 H new ATOM 0 HG23 ILE A 54 16.501 -10.350 -6.764 1.00 0.00 H new ATOM 0 HD11 ILE A 54 12.605 -9.391 -4.017 1.00 0.00 H new ATOM 0 HD12 ILE A 54 14.027 -8.898 -3.067 1.00 0.00 H new ATOM 0 HD13 ILE A 54 13.471 -7.891 -4.425 1.00 0.00 H new ATOM 826 N ILE A 55 19.194 -9.775 -4.682 1.00 0.00 N ATOM 827 CA ILE A 55 20.540 -9.234 -4.819 1.00 0.00 C ATOM 828 C ILE A 55 20.761 -8.654 -6.212 1.00 0.00 C ATOM 829 O ILE A 55 21.427 -7.631 -6.372 1.00 0.00 O ATOM 830 CB ILE A 55 21.609 -10.310 -4.549 1.00 0.00 C ATOM 831 CG1 ILE A 55 21.341 -11.001 -3.211 1.00 0.00 C ATOM 832 CG2 ILE A 55 22.999 -9.692 -4.564 1.00 0.00 C ATOM 833 CD1 ILE A 55 22.354 -10.658 -2.140 1.00 0.00 C ATOM 0 H ILE A 55 19.097 -10.744 -4.984 1.00 0.00 H new ATOM 0 HA ILE A 55 20.638 -8.441 -4.078 1.00 0.00 H new ATOM 0 HB ILE A 55 21.558 -11.059 -5.340 1.00 0.00 H new ATOM 0 HG12 ILE A 55 20.346 -10.724 -2.861 1.00 0.00 H new ATOM 0 HG13 ILE A 55 21.336 -12.080 -3.363 1.00 0.00 H new ATOM 0 HG21 ILE A 55 23.743 -10.465 -4.372 1.00 0.00 H new ATOM 0 HG22 ILE A 55 23.187 -9.242 -5.539 1.00 0.00 H new ATOM 0 HG23 ILE A 55 23.065 -8.925 -3.792 1.00 0.00 H new ATOM 0 HD11 ILE A 55 22.102 -11.183 -1.219 1.00 0.00 H new ATOM 0 HD12 ILE A 55 23.348 -10.960 -2.469 1.00 0.00 H new ATOM 0 HD13 ILE A 55 22.343 -9.583 -1.959 1.00 0.00 H new ATOM 845 N SER A 56 20.198 -9.315 -7.219 1.00 0.00 N ATOM 846 CA SER A 56 20.334 -8.867 -8.600 1.00 0.00 C ATOM 847 C SER A 56 19.294 -7.802 -8.932 1.00 0.00 C ATOM 848 O SER A 56 18.658 -7.850 -9.985 1.00 0.00 O ATOM 849 CB SER A 56 20.193 -10.050 -9.559 1.00 0.00 C ATOM 850 OG SER A 56 21.359 -10.208 -10.349 1.00 0.00 O ATOM 0 H SER A 56 19.643 -10.163 -7.104 1.00 0.00 H new ATOM 0 HA SER A 56 21.326 -8.430 -8.717 1.00 0.00 H new ATOM 0 HB2 SER A 56 20.008 -10.962 -8.992 1.00 0.00 H new ATOM 0 HB3 SER A 56 19.329 -9.897 -10.206 1.00 0.00 H new ATOM 0 HG SER A 56 21.244 -10.972 -10.952 1.00 0.00 H new ATOM 856 N GLU A 57 19.128 -6.843 -8.025 1.00 0.00 N ATOM 857 CA GLU A 57 18.165 -5.762 -8.214 1.00 0.00 C ATOM 858 C GLU A 57 17.268 -5.619 -6.991 1.00 0.00 C ATOM 859 O GLU A 57 16.332 -6.396 -6.802 1.00 0.00 O ATOM 860 CB GLU A 57 17.312 -6.015 -9.459 1.00 0.00 C ATOM 861 CG GLU A 57 16.107 -5.095 -9.567 1.00 0.00 C ATOM 862 CD GLU A 57 15.843 -4.645 -10.990 1.00 0.00 C ATOM 863 OE1 GLU A 57 16.721 -4.858 -11.853 1.00 0.00 O ATOM 864 OE2 GLU A 57 14.758 -4.080 -11.243 1.00 0.00 O ATOM 0 H GLU A 57 19.649 -6.793 -7.150 1.00 0.00 H new ATOM 0 HA GLU A 57 18.721 -4.834 -8.350 1.00 0.00 H new ATOM 0 HB2 GLU A 57 17.933 -5.892 -10.346 1.00 0.00 H new ATOM 0 HB3 GLU A 57 16.969 -7.050 -9.451 1.00 0.00 H new ATOM 0 HG2 GLU A 57 15.226 -5.610 -9.183 1.00 0.00 H new ATOM 0 HG3 GLU A 57 16.265 -4.220 -8.937 1.00 0.00 H new ATOM 871 N ASN A 58 17.560 -4.624 -6.160 1.00 0.00 N ATOM 872 CA ASN A 58 16.778 -4.384 -4.953 1.00 0.00 C ATOM 873 C ASN A 58 17.501 -3.421 -4.018 1.00 0.00 C ATOM 874 O ASN A 58 18.585 -2.931 -4.333 1.00 0.00 O ATOM 875 CB ASN A 58 16.508 -5.705 -4.233 1.00 0.00 C ATOM 876 CG ASN A 58 15.052 -6.119 -4.311 1.00 0.00 C ATOM 877 OD1 ASN A 58 14.521 -6.619 -3.202 1.00 0.00 O flip ATOM 878 ND2 ASN A 58 14.414 -5.991 -5.356 1.00 0.00 N flip ATOM 0 H ASN A 58 18.331 -3.972 -6.300 1.00 0.00 H new ATOM 0 HA ASN A 58 15.830 -3.932 -5.245 1.00 0.00 H new ATOM 0 HB2 ASN A 58 17.129 -6.487 -4.670 1.00 0.00 H new ATOM 0 HB3 ASN A 58 16.801 -5.612 -3.187 1.00 0.00 H new ATOM 0 HD21 ASN A 58 14.864 -5.601 -6.184 1.00 0.00 H new ATOM 0 HD22 ASN A 58 13.435 -6.275 -5.394 1.00 0.00 H new ATOM 885 N PRO A 59 16.905 -3.135 -2.850 1.00 0.00 N ATOM 886 CA PRO A 59 15.612 -3.704 -2.450 1.00 0.00 C ATOM 887 C PRO A 59 14.537 -3.516 -3.517 1.00 0.00 C ATOM 888 O PRO A 59 14.669 -2.673 -4.404 1.00 0.00 O ATOM 889 CB PRO A 59 15.255 -2.920 -1.186 1.00 0.00 C ATOM 890 CG PRO A 59 16.566 -2.481 -0.634 1.00 0.00 C ATOM 891 CD PRO A 59 17.451 -2.230 -1.824 1.00 0.00 C ATOM 0 HA PRO A 59 15.672 -4.782 -2.297 1.00 0.00 H new ATOM 0 HB2 PRO A 59 14.616 -2.067 -1.416 1.00 0.00 H new ATOM 0 HB3 PRO A 59 14.713 -3.542 -0.474 1.00 0.00 H new ATOM 0 HG2 PRO A 59 16.454 -1.579 -0.033 1.00 0.00 H new ATOM 0 HG3 PRO A 59 16.992 -3.246 0.015 1.00 0.00 H new ATOM 0 HD2 PRO A 59 17.410 -1.189 -2.143 1.00 0.00 H new ATOM 0 HD3 PRO A 59 18.495 -2.455 -1.604 1.00 0.00 H new ATOM 899 N CYS A 60 13.474 -4.310 -3.425 1.00 0.00 N ATOM 900 CA CYS A 60 12.377 -4.234 -4.384 1.00 0.00 C ATOM 901 C CYS A 60 11.138 -3.604 -3.759 1.00 0.00 C ATOM 902 O CYS A 60 10.576 -4.135 -2.801 1.00 0.00 O ATOM 903 CB CYS A 60 12.031 -5.630 -4.907 1.00 0.00 C ATOM 904 SG CYS A 60 12.061 -5.771 -6.709 1.00 0.00 S ATOM 0 H CYS A 60 13.349 -5.013 -2.696 1.00 0.00 H new ATOM 0 HA CYS A 60 12.705 -3.605 -5.212 1.00 0.00 H new ATOM 0 HB2 CYS A 60 12.734 -6.349 -4.485 1.00 0.00 H new ATOM 0 HB3 CYS A 60 11.039 -5.905 -4.548 1.00 0.00 H new ATOM 0 HG CYS A 60 11.758 -6.987 -7.054 1.00 0.00 H new ATOM 910 N ILE A 61 10.707 -2.476 -4.315 1.00 0.00 N ATOM 911 CA ILE A 61 9.523 -1.788 -3.818 1.00 0.00 C ATOM 912 C ILE A 61 8.367 -1.932 -4.795 1.00 0.00 C ATOM 913 O ILE A 61 8.446 -1.482 -5.938 1.00 0.00 O ATOM 914 CB ILE A 61 9.785 -0.291 -3.571 1.00 0.00 C ATOM 915 CG1 ILE A 61 11.274 -0.043 -3.318 1.00 0.00 C ATOM 916 CG2 ILE A 61 8.951 0.199 -2.396 1.00 0.00 C ATOM 917 CD1 ILE A 61 11.734 -0.476 -1.944 1.00 0.00 C ATOM 0 H ILE A 61 11.159 -2.021 -5.108 1.00 0.00 H new ATOM 0 HA ILE A 61 9.266 -2.256 -2.868 1.00 0.00 H new ATOM 0 HB ILE A 61 9.493 0.268 -4.460 1.00 0.00 H new ATOM 0 HG12 ILE A 61 11.856 -0.575 -4.071 1.00 0.00 H new ATOM 0 HG13 ILE A 61 11.484 1.019 -3.444 1.00 0.00 H new ATOM 0 HG21 ILE A 61 9.144 1.259 -2.230 1.00 0.00 H new ATOM 0 HG22 ILE A 61 7.893 0.053 -2.614 1.00 0.00 H new ATOM 0 HG23 ILE A 61 9.218 -0.363 -1.501 1.00 0.00 H new ATOM 0 HD11 ILE A 61 12.799 -0.270 -1.835 1.00 0.00 H new ATOM 0 HD12 ILE A 61 11.179 0.074 -1.184 1.00 0.00 H new ATOM 0 HD13 ILE A 61 11.556 -1.544 -1.821 1.00 0.00 H new ATOM 929 N LYS A 62 7.293 -2.562 -4.339 1.00 0.00 N ATOM 930 CA LYS A 62 6.118 -2.767 -5.174 1.00 0.00 C ATOM 931 C LYS A 62 5.035 -1.757 -4.836 1.00 0.00 C ATOM 932 O LYS A 62 4.824 -1.428 -3.669 1.00 0.00 O ATOM 933 CB LYS A 62 5.569 -4.178 -4.989 1.00 0.00 C ATOM 934 CG LYS A 62 4.857 -4.720 -6.218 1.00 0.00 C ATOM 935 CD LYS A 62 5.042 -6.223 -6.351 1.00 0.00 C ATOM 936 CE LYS A 62 4.243 -6.780 -7.518 1.00 0.00 C ATOM 937 NZ LYS A 62 2.777 -6.737 -7.260 1.00 0.00 N ATOM 0 H LYS A 62 7.211 -2.940 -3.395 1.00 0.00 H new ATOM 0 HA LYS A 62 6.419 -2.632 -6.213 1.00 0.00 H new ATOM 0 HB2 LYS A 62 6.390 -4.847 -4.730 1.00 0.00 H new ATOM 0 HB3 LYS A 62 4.877 -4.182 -4.147 1.00 0.00 H new ATOM 0 HG2 LYS A 62 3.794 -4.487 -6.156 1.00 0.00 H new ATOM 0 HG3 LYS A 62 5.240 -4.225 -7.110 1.00 0.00 H new ATOM 0 HD2 LYS A 62 6.099 -6.450 -6.491 1.00 0.00 H new ATOM 0 HD3 LYS A 62 4.730 -6.712 -5.428 1.00 0.00 H new ATOM 0 HE2 LYS A 62 4.470 -6.209 -8.418 1.00 0.00 H new ATOM 0 HE3 LYS A 62 4.548 -7.809 -7.708 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 2.289 -7.370 -7.925 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 2.587 -7.046 -6.285 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 2.430 -5.765 -7.389 1.00 0.00 H new ATOM 951 N HIS A 63 4.343 -1.273 -5.856 1.00 0.00 N ATOM 952 CA HIS A 63 3.281 -0.312 -5.648 1.00 0.00 C ATOM 953 C HIS A 63 1.921 -0.955 -5.886 1.00 0.00 C ATOM 954 O HIS A 63 1.547 -1.247 -7.022 1.00 0.00 O ATOM 955 CB HIS A 63 3.467 0.880 -6.584 1.00 0.00 C ATOM 956 CG HIS A 63 4.778 1.580 -6.409 1.00 0.00 C ATOM 957 ND1 HIS A 63 5.229 2.077 -5.207 1.00 0.00 N ATOM 958 CD2 HIS A 63 5.748 1.859 -7.317 1.00 0.00 C ATOM 959 CE1 HIS A 63 6.431 2.632 -5.416 1.00 0.00 C ATOM 960 NE2 HIS A 63 6.791 2.526 -6.680 1.00 0.00 N ATOM 0 H HIS A 63 4.500 -1.531 -6.830 1.00 0.00 H new ATOM 0 HA HIS A 63 3.323 0.034 -4.615 1.00 0.00 H new ATOM 0 HB2 HIS A 63 3.382 0.538 -7.615 1.00 0.00 H new ATOM 0 HB3 HIS A 63 2.659 1.592 -6.417 1.00 0.00 H new ATOM 0 HD1 HIS A 63 4.736 2.031 -4.315 1.00 0.00 H new ATOM 0 HD2 HIS A 63 5.716 1.604 -8.366 1.00 0.00 H new ATOM 0 HE1 HIS A 63 7.027 3.104 -4.649 1.00 0.00 H new ATOM 968 N TYR A 64 1.184 -1.164 -4.803 1.00 0.00 N ATOM 969 CA TYR A 64 -0.139 -1.763 -4.879 1.00 0.00 C ATOM 970 C TYR A 64 -1.215 -0.697 -4.772 1.00 0.00 C ATOM 971 O TYR A 64 -1.312 -0.009 -3.757 1.00 0.00 O ATOM 972 CB TYR A 64 -0.323 -2.783 -3.762 1.00 0.00 C ATOM 973 CG TYR A 64 0.489 -4.025 -3.978 1.00 0.00 C ATOM 974 CD1 TYR A 64 1.867 -3.953 -4.065 1.00 0.00 C ATOM 975 CD2 TYR A 64 -0.119 -5.263 -4.113 1.00 0.00 C ATOM 976 CE1 TYR A 64 2.623 -5.081 -4.280 1.00 0.00 C ATOM 977 CE2 TYR A 64 0.631 -6.401 -4.326 1.00 0.00 C ATOM 978 CZ TYR A 64 2.003 -6.306 -4.410 1.00 0.00 C ATOM 979 OH TYR A 64 2.758 -7.436 -4.625 1.00 0.00 O ATOM 0 H TYR A 64 1.483 -0.926 -3.858 1.00 0.00 H new ATOM 0 HA TYR A 64 -0.230 -2.264 -5.843 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -0.042 -2.330 -2.811 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -1.377 -3.050 -3.689 1.00 0.00 H new ATOM 0 HD1 TYR A 64 2.357 -2.996 -3.962 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -1.195 -5.338 -4.051 1.00 0.00 H new ATOM 0 HE1 TYR A 64 3.698 -5.008 -4.347 1.00 0.00 H new ATOM 0 HE2 TYR A 64 0.146 -7.361 -4.426 1.00 0.00 H new ATOM 0 HH TYR A 64 2.177 -8.165 -4.929 1.00 0.00 H new ATOM 989 N HIS A 65 -2.032 -0.561 -5.806 1.00 0.00 N ATOM 990 CA HIS A 65 -3.094 0.426 -5.771 1.00 0.00 C ATOM 991 C HIS A 65 -4.355 -0.167 -5.192 1.00 0.00 C ATOM 992 O HIS A 65 -4.668 -1.336 -5.417 1.00 0.00 O ATOM 993 CB HIS A 65 -3.398 1.003 -7.146 1.00 0.00 C ATOM 994 CG HIS A 65 -3.655 2.460 -7.082 1.00 0.00 C ATOM 995 ND1 HIS A 65 -3.649 3.167 -5.911 1.00 0.00 N ATOM 996 CD2 HIS A 65 -3.934 3.347 -8.060 1.00 0.00 C ATOM 997 CE1 HIS A 65 -3.918 4.437 -6.201 1.00 0.00 C ATOM 998 NE2 HIS A 65 -4.101 4.604 -7.496 1.00 0.00 N ATOM 0 H HIS A 65 -1.981 -1.111 -6.663 1.00 0.00 H new ATOM 0 HA HIS A 65 -2.740 1.237 -5.135 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -2.560 0.810 -7.815 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -4.266 0.498 -7.569 1.00 0.00 H new ATOM 0 HD1 HIS A 65 -3.470 2.788 -4.981 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -4.014 3.116 -9.112 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -3.979 5.229 -5.470 1.00 0.00 H new ATOM 1006 N ILE A 66 -5.086 0.646 -4.452 1.00 0.00 N ATOM 1007 CA ILE A 66 -6.323 0.186 -3.855 1.00 0.00 C ATOM 1008 C ILE A 66 -7.465 0.319 -4.850 1.00 0.00 C ATOM 1009 O ILE A 66 -7.944 1.412 -5.119 1.00 0.00 O ATOM 1010 CB ILE A 66 -6.666 0.967 -2.569 1.00 0.00 C ATOM 1011 CG1 ILE A 66 -5.394 1.413 -1.849 1.00 0.00 C ATOM 1012 CG2 ILE A 66 -7.515 0.112 -1.643 1.00 0.00 C ATOM 1013 CD1 ILE A 66 -4.167 0.615 -2.229 1.00 0.00 C ATOM 0 H ILE A 66 -4.847 1.617 -4.252 1.00 0.00 H new ATOM 0 HA ILE A 66 -6.186 -0.862 -3.587 1.00 0.00 H new ATOM 0 HB ILE A 66 -7.233 1.854 -2.851 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -5.214 2.466 -2.068 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -5.549 1.333 -0.773 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -7.749 0.676 -0.740 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -8.440 -0.164 -2.149 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -6.965 -0.790 -1.375 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -3.304 0.989 -1.678 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -4.326 -0.435 -1.984 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -3.985 0.715 -3.299 1.00 0.00 H new ATOM 1025 N LYS A 67 -7.903 -0.803 -5.394 1.00 0.00 N ATOM 1026 CA LYS A 67 -8.996 -0.799 -6.351 1.00 0.00 C ATOM 1027 C LYS A 67 -10.303 -0.532 -5.622 1.00 0.00 C ATOM 1028 O LYS A 67 -10.420 -0.842 -4.440 1.00 0.00 O ATOM 1029 CB LYS A 67 -9.062 -2.133 -7.097 1.00 0.00 C ATOM 1030 CG LYS A 67 -9.921 -2.087 -8.350 1.00 0.00 C ATOM 1031 CD LYS A 67 -9.589 -0.878 -9.209 1.00 0.00 C ATOM 1032 CE LYS A 67 -8.087 -0.662 -9.309 1.00 0.00 C ATOM 1033 NZ LYS A 67 -7.613 -0.699 -10.720 1.00 0.00 N ATOM 0 H LYS A 67 -7.520 -1.726 -5.190 1.00 0.00 H new ATOM 0 HA LYS A 67 -8.826 -0.011 -7.085 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -8.052 -2.437 -7.370 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -9.454 -2.896 -6.425 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -9.771 -2.998 -8.929 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -10.974 -2.057 -8.070 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -10.005 -1.014 -10.207 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -10.058 0.010 -8.786 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -7.828 0.299 -8.864 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -7.571 -1.430 -8.732 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -6.584 -0.548 -10.745 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -7.837 -1.625 -11.137 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -8.086 0.050 -11.265 1.00 0.00 H new ATOM 1047 N GLU A 68 -11.271 0.053 -6.324 1.00 0.00 N ATOM 1048 CA GLU A 68 -12.566 0.380 -5.727 1.00 0.00 C ATOM 1049 C GLU A 68 -13.690 -0.427 -6.376 1.00 0.00 C ATOM 1050 O GLU A 68 -13.734 -0.571 -7.598 1.00 0.00 O ATOM 1051 CB GLU A 68 -12.846 1.878 -5.898 1.00 0.00 C ATOM 1052 CG GLU A 68 -12.976 2.631 -4.586 1.00 0.00 C ATOM 1053 CD GLU A 68 -14.223 3.493 -4.530 1.00 0.00 C ATOM 1054 OE1 GLU A 68 -15.223 3.134 -5.187 1.00 0.00 O ATOM 1055 OE2 GLU A 68 -14.199 4.526 -3.830 1.00 0.00 O ATOM 0 H GLU A 68 -11.184 0.311 -7.307 1.00 0.00 H new ATOM 0 HA GLU A 68 -12.529 0.127 -4.667 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -12.042 2.324 -6.484 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -13.765 2.003 -6.471 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -12.994 1.918 -3.762 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -12.097 3.260 -4.443 1.00 0.00 H new ATOM 1062 N THR A 69 -14.598 -0.950 -5.552 1.00 0.00 N ATOM 1063 CA THR A 69 -15.716 -1.737 -6.055 1.00 0.00 C ATOM 1064 C THR A 69 -17.007 -1.355 -5.342 1.00 0.00 C ATOM 1065 O THR A 69 -16.989 -0.931 -4.187 1.00 0.00 O ATOM 1066 CB THR A 69 -15.441 -3.230 -5.872 1.00 0.00 C ATOM 1067 OG1 THR A 69 -16.631 -3.922 -5.537 1.00 0.00 O ATOM 1068 CG2 THR A 69 -14.420 -3.523 -4.793 1.00 0.00 C ATOM 0 H THR A 69 -14.579 -0.842 -4.538 1.00 0.00 H new ATOM 0 HA THR A 69 -15.830 -1.526 -7.118 1.00 0.00 H new ATOM 0 HB THR A 69 -15.043 -3.569 -6.828 1.00 0.00 H new ATOM 0 HG1 THR A 69 -16.435 -4.876 -5.426 1.00 0.00 H new ATOM 0 HG21 THR A 69 -14.272 -4.600 -4.715 1.00 0.00 H new ATOM 0 HG22 THR A 69 -13.474 -3.044 -5.047 1.00 0.00 H new ATOM 0 HG23 THR A 69 -14.778 -3.136 -3.839 1.00 0.00 H new ATOM 1076 N ASN A 70 -18.128 -1.506 -6.036 1.00 0.00 N ATOM 1077 CA ASN A 70 -19.426 -1.176 -5.465 1.00 0.00 C ATOM 1078 C ASN A 70 -19.925 -2.306 -4.571 1.00 0.00 C ATOM 1079 O ASN A 70 -21.071 -2.739 -4.687 1.00 0.00 O ATOM 1080 CB ASN A 70 -20.441 -0.901 -6.575 1.00 0.00 C ATOM 1081 CG ASN A 70 -21.443 0.169 -6.190 1.00 0.00 C ATOM 1082 OD1 ASN A 70 -22.061 0.105 -5.127 1.00 0.00 O ATOM 1083 ND2 ASN A 70 -21.611 1.163 -7.056 1.00 0.00 N ATOM 0 H ASN A 70 -18.164 -1.855 -6.994 1.00 0.00 H new ATOM 0 HA ASN A 70 -19.312 -0.277 -4.858 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -19.913 -0.593 -7.478 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -20.972 -1.822 -6.815 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -22.273 1.912 -6.851 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -21.078 1.177 -7.926 1.00 0.00 H new ATOM 1090 N ASP A 71 -19.059 -2.781 -3.679 1.00 0.00 N ATOM 1091 CA ASP A 71 -19.424 -3.860 -2.772 1.00 0.00 C ATOM 1092 C ASP A 71 -20.506 -3.401 -1.798 1.00 0.00 C ATOM 1093 O ASP A 71 -21.254 -2.468 -2.088 1.00 0.00 O ATOM 1094 CB ASP A 71 -18.197 -4.358 -2.009 1.00 0.00 C ATOM 1095 CG ASP A 71 -17.993 -5.853 -2.156 1.00 0.00 C ATOM 1096 OD1 ASP A 71 -18.969 -6.554 -2.497 1.00 0.00 O ATOM 1097 OD2 ASP A 71 -16.858 -6.323 -1.931 1.00 0.00 O ATOM 0 H ASP A 71 -18.106 -2.436 -3.567 1.00 0.00 H new ATOM 0 HA ASP A 71 -19.821 -4.684 -3.364 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -17.311 -3.836 -2.370 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -18.304 -4.111 -0.953 1.00 0.00 H new ATOM 1102 N SER A 72 -20.589 -4.059 -0.646 1.00 0.00 N ATOM 1103 CA SER A 72 -21.589 -3.705 0.357 1.00 0.00 C ATOM 1104 C SER A 72 -21.224 -4.264 1.729 1.00 0.00 C ATOM 1105 O SER A 72 -21.729 -5.308 2.141 1.00 0.00 O ATOM 1106 CB SER A 72 -22.966 -4.222 -0.064 1.00 0.00 C ATOM 1107 OG SER A 72 -23.196 -3.996 -1.444 1.00 0.00 O ATOM 0 H SER A 72 -19.981 -4.835 -0.384 1.00 0.00 H new ATOM 0 HA SER A 72 -21.617 -2.618 0.429 1.00 0.00 H new ATOM 0 HB2 SER A 72 -23.038 -5.288 0.150 1.00 0.00 H new ATOM 0 HB3 SER A 72 -23.739 -3.726 0.523 1.00 0.00 H new ATOM 0 HG SER A 72 -22.771 -3.155 -1.713 1.00 0.00 H new ATOM 1113 N PRO A 73 -20.340 -3.565 2.458 1.00 0.00 N ATOM 1114 CA PRO A 73 -19.726 -2.323 1.993 1.00 0.00 C ATOM 1115 C PRO A 73 -18.630 -2.586 0.966 1.00 0.00 C ATOM 1116 O PRO A 73 -18.858 -2.471 -0.235 1.00 0.00 O ATOM 1117 CB PRO A 73 -19.128 -1.704 3.268 1.00 0.00 C ATOM 1118 CG PRO A 73 -19.546 -2.594 4.398 1.00 0.00 C ATOM 1119 CD PRO A 73 -19.864 -3.930 3.792 1.00 0.00 C ATOM 0 HA PRO A 73 -20.447 -1.673 1.497 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -18.042 -1.645 3.200 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -19.494 -0.688 3.416 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -18.750 -2.683 5.137 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -20.415 -2.185 4.913 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -18.987 -4.575 3.748 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -20.624 -4.464 4.362 1.00 0.00 H new ATOM 1127 N LYS A 74 -17.448 -2.952 1.459 1.00 0.00 N ATOM 1128 CA LYS A 74 -16.300 -3.252 0.607 1.00 0.00 C ATOM 1129 C LYS A 74 -16.333 -2.482 -0.702 1.00 0.00 C ATOM 1130 O LYS A 74 -17.384 -2.279 -1.306 1.00 0.00 O ATOM 1131 CB LYS A 74 -16.225 -4.754 0.336 1.00 0.00 C ATOM 1132 CG LYS A 74 -16.619 -5.607 1.531 1.00 0.00 C ATOM 1133 CD LYS A 74 -18.129 -5.724 1.658 1.00 0.00 C ATOM 1134 CE LYS A 74 -18.672 -6.864 0.812 1.00 0.00 C ATOM 1135 NZ LYS A 74 -20.161 -6.867 0.773 1.00 0.00 N ATOM 0 H LYS A 74 -17.260 -3.049 2.457 1.00 0.00 H new ATOM 0 HA LYS A 74 -15.407 -2.933 1.144 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -16.876 -4.996 -0.504 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -15.209 -5.011 0.036 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -16.183 -6.601 1.429 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -16.209 -5.171 2.442 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -18.396 -5.885 2.702 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -18.595 -4.788 1.351 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -18.283 -6.780 -0.203 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -18.317 -7.814 1.212 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -20.506 -7.848 0.762 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -20.531 -6.379 1.614 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -20.487 -6.376 -0.084 1.00 0.00 H new ATOM 1149 N ARG A 75 -15.157 -2.051 -1.130 1.00 0.00 N ATOM 1150 CA ARG A 75 -15.024 -1.298 -2.361 1.00 0.00 C ATOM 1151 C ARG A 75 -13.583 -1.297 -2.841 1.00 0.00 C ATOM 1152 O ARG A 75 -13.309 -1.489 -4.024 1.00 0.00 O ATOM 1153 CB ARG A 75 -15.481 0.141 -2.149 1.00 0.00 C ATOM 1154 CG ARG A 75 -15.492 0.564 -0.692 1.00 0.00 C ATOM 1155 CD ARG A 75 -16.695 1.436 -0.373 1.00 0.00 C ATOM 1156 NE ARG A 75 -17.894 0.992 -1.079 1.00 0.00 N ATOM 1157 CZ ARG A 75 -18.407 1.621 -2.131 1.00 0.00 C ATOM 1158 NH1 ARG A 75 -17.828 2.718 -2.600 1.00 0.00 N ATOM 1159 NH2 ARG A 75 -19.501 1.153 -2.717 1.00 0.00 N ATOM 0 H ARG A 75 -14.278 -2.212 -0.638 1.00 0.00 H new ATOM 0 HA ARG A 75 -15.649 -1.775 -3.116 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -14.825 0.808 -2.708 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -16.483 0.260 -2.561 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -15.504 -0.321 -0.056 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -14.576 1.109 -0.463 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -16.880 1.420 0.701 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -16.476 2.469 -0.644 1.00 0.00 H new ATOM 0 HE ARG A 75 -18.365 0.151 -0.745 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -16.986 3.081 -2.153 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -18.224 3.198 -3.408 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -19.950 0.309 -2.360 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -19.894 1.637 -3.524 1.00 0.00 H new ATOM 1173 N TYR A 76 -12.664 -1.040 -1.923 1.00 0.00 N ATOM 1174 CA TYR A 76 -11.259 -0.965 -2.274 1.00 0.00 C ATOM 1175 C TYR A 76 -10.575 -2.318 -2.189 1.00 0.00 C ATOM 1176 O TYR A 76 -10.941 -3.163 -1.376 1.00 0.00 O ATOM 1177 CB TYR A 76 -10.566 0.058 -1.385 1.00 0.00 C ATOM 1178 CG TYR A 76 -11.432 1.263 -1.143 1.00 0.00 C ATOM 1179 CD1 TYR A 76 -12.619 1.412 -1.839 1.00 0.00 C ATOM 1180 CD2 TYR A 76 -11.078 2.237 -0.226 1.00 0.00 C ATOM 1181 CE1 TYR A 76 -13.437 2.495 -1.634 1.00 0.00 C ATOM 1182 CE2 TYR A 76 -11.892 3.333 -0.008 1.00 0.00 C ATOM 1183 CZ TYR A 76 -13.074 3.458 -0.715 1.00 0.00 C ATOM 1184 OH TYR A 76 -13.888 4.546 -0.504 1.00 0.00 O ATOM 0 H TYR A 76 -12.866 -0.881 -0.936 1.00 0.00 H new ATOM 0 HA TYR A 76 -11.185 -0.646 -3.314 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -10.310 -0.403 -0.431 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -9.631 0.370 -1.850 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -12.908 0.660 -2.559 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -10.155 2.140 0.326 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -14.359 2.593 -2.188 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -11.606 4.087 0.710 1.00 0.00 H new ATOM 0 HH TYR A 76 -13.487 5.128 0.175 1.00 0.00 H new ATOM 1194 N TYR A 77 -9.583 -2.509 -3.050 1.00 0.00 N ATOM 1195 CA TYR A 77 -8.835 -3.767 -3.102 1.00 0.00 C ATOM 1196 C TYR A 77 -7.639 -3.662 -4.042 1.00 0.00 C ATOM 1197 O TYR A 77 -7.649 -2.880 -4.986 1.00 0.00 O ATOM 1198 CB TYR A 77 -9.742 -4.898 -3.586 1.00 0.00 C ATOM 1199 CG TYR A 77 -10.109 -4.772 -5.047 1.00 0.00 C ATOM 1200 CD1 TYR A 77 -11.089 -3.875 -5.456 1.00 0.00 C ATOM 1201 CD2 TYR A 77 -9.468 -5.535 -6.021 1.00 0.00 C ATOM 1202 CE1 TYR A 77 -11.423 -3.740 -6.789 1.00 0.00 C ATOM 1203 CE2 TYR A 77 -9.801 -5.402 -7.358 1.00 0.00 C ATOM 1204 CZ TYR A 77 -10.777 -4.504 -7.735 1.00 0.00 C ATOM 1205 OH TYR A 77 -11.108 -4.371 -9.064 1.00 0.00 O ATOM 0 H TYR A 77 -9.274 -1.809 -3.725 1.00 0.00 H new ATOM 0 HA TYR A 77 -8.476 -3.978 -2.095 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -9.242 -5.853 -3.423 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -10.653 -4.908 -2.987 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -11.598 -3.273 -4.718 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -8.702 -6.239 -5.729 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -12.188 -3.038 -7.088 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -9.298 -6.000 -8.104 1.00 0.00 H new ATOM 0 HH TYR A 77 -10.559 -4.980 -9.600 1.00 0.00 H new ATOM 1215 N VAL A 78 -6.622 -4.478 -3.801 1.00 0.00 N ATOM 1216 CA VAL A 78 -5.436 -4.486 -4.649 1.00 0.00 C ATOM 1217 C VAL A 78 -5.151 -5.886 -5.150 1.00 0.00 C ATOM 1218 O VAL A 78 -4.330 -6.604 -4.580 1.00 0.00 O ATOM 1219 CB VAL A 78 -4.187 -3.978 -3.915 1.00 0.00 C ATOM 1220 CG1 VAL A 78 -4.455 -2.638 -3.250 1.00 0.00 C ATOM 1221 CG2 VAL A 78 -3.713 -5.007 -2.903 1.00 0.00 C ATOM 0 H VAL A 78 -6.593 -5.142 -3.027 1.00 0.00 H new ATOM 0 HA VAL A 78 -5.651 -3.815 -5.481 1.00 0.00 H new ATOM 0 HB VAL A 78 -3.393 -3.830 -4.647 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -3.555 -2.300 -2.737 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -4.738 -1.906 -4.007 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -5.265 -2.745 -2.529 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -2.827 -4.632 -2.391 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -4.502 -5.191 -2.174 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -3.469 -5.937 -3.417 1.00 0.00 H new ATOM 1231 N ALA A 79 -5.837 -6.272 -6.212 1.00 0.00 N ATOM 1232 CA ALA A 79 -5.663 -7.593 -6.784 1.00 0.00 C ATOM 1233 C ALA A 79 -7.010 -8.273 -6.963 1.00 0.00 C ATOM 1234 O ALA A 79 -7.161 -9.448 -6.627 1.00 0.00 O ATOM 1235 CB ALA A 79 -4.785 -8.444 -5.880 1.00 0.00 C ATOM 0 H ALA A 79 -6.520 -5.688 -6.695 1.00 0.00 H new ATOM 0 HA ALA A 79 -5.184 -7.486 -7.757 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -4.661 -9.434 -6.320 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -3.809 -7.971 -5.771 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -5.254 -8.538 -4.901 1.00 0.00 H new ATOM 1241 N GLU A 80 -8.004 -7.535 -7.449 1.00 0.00 N ATOM 1242 CA GLU A 80 -9.329 -8.115 -7.597 1.00 0.00 C ATOM 1243 C GLU A 80 -9.566 -8.996 -6.391 1.00 0.00 C ATOM 1244 O GLU A 80 -10.318 -9.971 -6.428 1.00 0.00 O ATOM 1245 CB GLU A 80 -9.428 -8.920 -8.892 1.00 0.00 C ATOM 1246 CG GLU A 80 -8.697 -8.271 -10.054 1.00 0.00 C ATOM 1247 CD GLU A 80 -9.574 -8.112 -11.280 1.00 0.00 C ATOM 1248 OE1 GLU A 80 -9.943 -9.141 -11.884 1.00 0.00 O ATOM 1249 OE2 GLU A 80 -9.892 -6.958 -11.636 1.00 0.00 O ATOM 0 H GLU A 80 -7.920 -6.561 -7.739 1.00 0.00 H new ATOM 0 HA GLU A 80 -10.087 -7.334 -7.654 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -9.020 -9.917 -8.725 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -10.478 -9.045 -9.156 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -8.329 -7.292 -9.746 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -7.825 -8.873 -10.311 1.00 0.00 H new ATOM 1256 N LYS A 81 -8.864 -8.632 -5.328 1.00 0.00 N ATOM 1257 CA LYS A 81 -8.898 -9.342 -4.072 1.00 0.00 C ATOM 1258 C LYS A 81 -9.637 -8.550 -3.006 1.00 0.00 C ATOM 1259 O LYS A 81 -10.148 -7.461 -3.261 1.00 0.00 O ATOM 1260 CB LYS A 81 -7.463 -9.576 -3.623 1.00 0.00 C ATOM 1261 CG LYS A 81 -6.769 -8.316 -3.146 1.00 0.00 C ATOM 1262 CD LYS A 81 -5.543 -8.654 -2.322 1.00 0.00 C ATOM 1263 CE LYS A 81 -4.627 -9.618 -3.056 1.00 0.00 C ATOM 1264 NZ LYS A 81 -4.343 -10.834 -2.246 1.00 0.00 N ATOM 0 H LYS A 81 -8.246 -7.820 -5.321 1.00 0.00 H new ATOM 0 HA LYS A 81 -9.426 -10.286 -4.211 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -7.457 -10.312 -2.819 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -6.896 -10.003 -4.450 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -6.480 -7.708 -4.003 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -7.459 -7.719 -2.550 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -4.998 -7.740 -2.087 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -5.851 -9.094 -1.373 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -5.087 -9.909 -4.000 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -3.691 -9.116 -3.299 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -3.314 -10.965 -2.165 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -4.754 -10.723 -1.297 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -4.762 -11.665 -2.709 1.00 0.00 H new ATOM 1278 N TYR A 82 -9.675 -9.110 -1.806 1.00 0.00 N ATOM 1279 CA TYR A 82 -10.328 -8.470 -0.681 1.00 0.00 C ATOM 1280 C TYR A 82 -10.584 -7.012 -0.981 1.00 0.00 C ATOM 1281 O TYR A 82 -9.664 -6.262 -1.308 1.00 0.00 O ATOM 1282 CB TYR A 82 -9.475 -8.565 0.585 1.00 0.00 C ATOM 1283 CG TYR A 82 -8.438 -9.662 0.570 1.00 0.00 C ATOM 1284 CD1 TYR A 82 -7.601 -9.852 -0.520 1.00 0.00 C ATOM 1285 CD2 TYR A 82 -8.293 -10.501 1.664 1.00 0.00 C ATOM 1286 CE1 TYR A 82 -6.652 -10.852 -0.517 1.00 0.00 C ATOM 1287 CE2 TYR A 82 -7.346 -11.500 1.676 1.00 0.00 C ATOM 1288 CZ TYR A 82 -6.526 -11.674 0.582 1.00 0.00 C ATOM 1289 OH TYR A 82 -5.578 -12.671 0.588 1.00 0.00 O ATOM 0 H TYR A 82 -9.256 -10.014 -1.589 1.00 0.00 H new ATOM 0 HA TYR A 82 -11.272 -8.990 -0.516 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -8.971 -7.611 0.739 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -10.134 -8.719 1.439 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -7.694 -9.208 -1.382 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -8.935 -10.368 2.523 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -6.009 -10.991 -1.374 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -7.246 -12.144 2.538 1.00 0.00 H new ATOM 0 HH TYR A 82 -5.621 -13.158 1.437 1.00 0.00 H new ATOM 1299 N VAL A 83 -11.828 -6.608 -0.850 1.00 0.00 N ATOM 1300 CA VAL A 83 -12.191 -5.234 -1.089 1.00 0.00 C ATOM 1301 C VAL A 83 -12.736 -4.622 0.185 1.00 0.00 C ATOM 1302 O VAL A 83 -13.393 -5.299 0.975 1.00 0.00 O ATOM 1303 CB VAL A 83 -13.207 -5.120 -2.225 1.00 0.00 C ATOM 1304 CG1 VAL A 83 -12.626 -5.750 -3.479 1.00 0.00 C ATOM 1305 CG2 VAL A 83 -14.519 -5.776 -1.834 1.00 0.00 C ATOM 0 H VAL A 83 -12.603 -7.213 -0.579 1.00 0.00 H new ATOM 0 HA VAL A 83 -11.299 -4.686 -1.393 1.00 0.00 H new ATOM 0 HB VAL A 83 -13.416 -4.069 -2.425 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -13.347 -5.672 -4.293 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -11.708 -5.231 -3.755 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -12.405 -6.801 -3.290 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -15.230 -5.685 -2.655 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -14.348 -6.830 -1.617 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -14.922 -5.284 -0.949 1.00 0.00 H new ATOM 1315 N PHE A 84 -12.429 -3.357 0.409 1.00 0.00 N ATOM 1316 CA PHE A 84 -12.865 -2.697 1.622 1.00 0.00 C ATOM 1317 C PHE A 84 -13.436 -1.317 1.333 1.00 0.00 C ATOM 1318 O PHE A 84 -13.684 -0.963 0.181 1.00 0.00 O ATOM 1319 CB PHE A 84 -11.688 -2.604 2.595 1.00 0.00 C ATOM 1320 CG PHE A 84 -10.838 -3.846 2.606 1.00 0.00 C ATOM 1321 CD1 PHE A 84 -10.284 -4.333 1.429 1.00 0.00 C ATOM 1322 CD2 PHE A 84 -10.599 -4.530 3.786 1.00 0.00 C ATOM 1323 CE1 PHE A 84 -9.510 -5.480 1.431 1.00 0.00 C ATOM 1324 CE2 PHE A 84 -9.829 -5.681 3.793 1.00 0.00 C ATOM 1325 CZ PHE A 84 -9.285 -6.156 2.614 1.00 0.00 C ATOM 0 H PHE A 84 -11.885 -2.773 -0.227 1.00 0.00 H new ATOM 0 HA PHE A 84 -13.664 -3.286 2.072 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -11.068 -1.748 2.327 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -12.068 -2.421 3.600 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -10.460 -3.810 0.501 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -11.018 -4.162 4.711 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -9.083 -5.846 0.509 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -9.653 -6.208 4.719 1.00 0.00 H new ATOM 0 HZ PHE A 84 -8.685 -7.054 2.618 1.00 0.00 H new ATOM 1335 N ASP A 85 -13.650 -0.545 2.388 1.00 0.00 N ATOM 1336 CA ASP A 85 -14.201 0.792 2.249 1.00 0.00 C ATOM 1337 C ASP A 85 -13.116 1.850 2.408 1.00 0.00 C ATOM 1338 O ASP A 85 -13.399 3.047 2.384 1.00 0.00 O ATOM 1339 CB ASP A 85 -15.308 1.021 3.280 1.00 0.00 C ATOM 1340 CG ASP A 85 -15.933 2.397 3.160 1.00 0.00 C ATOM 1341 OD1 ASP A 85 -16.134 2.861 2.018 1.00 0.00 O ATOM 1342 OD2 ASP A 85 -16.224 3.010 4.209 1.00 0.00 O ATOM 0 H ASP A 85 -13.450 -0.823 3.349 1.00 0.00 H new ATOM 0 HA ASP A 85 -14.622 0.879 1.248 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -16.080 0.262 3.155 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -14.899 0.897 4.283 1.00 0.00 H new ATOM 1347 N SER A 86 -11.873 1.406 2.569 1.00 0.00 N ATOM 1348 CA SER A 86 -10.762 2.333 2.728 1.00 0.00 C ATOM 1349 C SER A 86 -9.413 1.616 2.756 1.00 0.00 C ATOM 1350 O SER A 86 -9.297 0.450 3.179 1.00 0.00 O ATOM 1351 CB SER A 86 -10.939 3.161 4.001 1.00 0.00 C ATOM 1352 OG SER A 86 -10.964 4.547 3.708 1.00 0.00 O ATOM 0 H SER A 86 -11.613 0.420 2.592 1.00 0.00 H new ATOM 0 HA SER A 86 -10.767 2.993 1.861 1.00 0.00 H new ATOM 0 HB2 SER A 86 -11.865 2.875 4.499 1.00 0.00 H new ATOM 0 HB3 SER A 86 -10.125 2.947 4.694 1.00 0.00 H new ATOM 0 HG SER A 86 -10.977 5.058 4.544 1.00 0.00 H new ATOM 1358 N ILE A 87 -8.388 2.336 2.310 1.00 0.00 N ATOM 1359 CA ILE A 87 -7.041 1.804 2.281 1.00 0.00 C ATOM 1360 C ILE A 87 -6.646 1.276 3.653 1.00 0.00 C ATOM 1361 O ILE A 87 -6.104 0.184 3.765 1.00 0.00 O ATOM 1362 CB ILE A 87 -6.009 2.866 1.858 1.00 0.00 C ATOM 1363 CG1 ILE A 87 -6.120 3.210 0.371 1.00 0.00 C ATOM 1364 CG2 ILE A 87 -4.607 2.374 2.173 1.00 0.00 C ATOM 1365 CD1 ILE A 87 -7.362 2.679 -0.302 1.00 0.00 C ATOM 0 H ILE A 87 -8.471 3.292 1.964 1.00 0.00 H new ATOM 0 HA ILE A 87 -7.041 0.998 1.547 1.00 0.00 H new ATOM 0 HB ILE A 87 -6.217 3.775 2.422 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -6.096 4.294 0.259 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -5.245 2.817 -0.146 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -3.880 3.129 1.872 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -4.518 2.191 3.244 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -4.415 1.449 1.630 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -7.359 2.969 -1.353 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -7.381 1.592 -0.226 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -8.245 3.092 0.186 1.00 0.00 H new ATOM 1377 N PRO A 88 -6.909 2.045 4.727 1.00 0.00 N ATOM 1378 CA PRO A 88 -6.559 1.627 6.083 1.00 0.00 C ATOM 1379 C PRO A 88 -7.093 0.242 6.400 1.00 0.00 C ATOM 1380 O PRO A 88 -6.345 -0.622 6.851 1.00 0.00 O ATOM 1381 CB PRO A 88 -7.200 2.681 6.987 1.00 0.00 C ATOM 1382 CG PRO A 88 -8.096 3.489 6.102 1.00 0.00 C ATOM 1383 CD PRO A 88 -7.550 3.363 4.707 1.00 0.00 C ATOM 0 HA PRO A 88 -5.480 1.560 6.220 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -7.765 2.213 7.793 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -6.441 3.309 7.453 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -9.121 3.123 6.151 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -8.114 4.532 6.418 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -8.339 3.418 3.957 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -6.838 4.156 4.478 1.00 0.00 H new ATOM 1391 N LEU A 89 -8.368 0.003 6.117 1.00 0.00 N ATOM 1392 CA LEU A 89 -8.919 -1.321 6.339 1.00 0.00 C ATOM 1393 C LEU A 89 -8.254 -2.249 5.344 1.00 0.00 C ATOM 1394 O LEU A 89 -7.701 -3.299 5.710 1.00 0.00 O ATOM 1395 CB LEU A 89 -10.439 -1.348 6.157 1.00 0.00 C ATOM 1396 CG LEU A 89 -11.123 0.015 6.160 1.00 0.00 C ATOM 1397 CD1 LEU A 89 -11.070 0.631 4.774 1.00 0.00 C ATOM 1398 CD2 LEU A 89 -12.563 -0.118 6.631 1.00 0.00 C ATOM 0 H LEU A 89 -9.022 0.691 5.743 1.00 0.00 H new ATOM 0 HA LEU A 89 -8.727 -1.633 7.366 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -10.666 -1.847 5.215 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -10.872 -1.955 6.952 1.00 0.00 H new ATOM 0 HG LEU A 89 -10.594 0.672 6.851 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -11.562 1.604 4.789 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -10.030 0.754 4.470 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -11.580 -0.022 4.066 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -13.039 0.863 6.628 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -13.105 -0.786 5.961 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -12.579 -0.526 7.642 1.00 0.00 H new ATOM 1410 N LEU A 90 -8.262 -1.818 4.078 1.00 0.00 N ATOM 1411 CA LEU A 90 -7.613 -2.579 3.027 1.00 0.00 C ATOM 1412 C LEU A 90 -6.167 -2.839 3.434 1.00 0.00 C ATOM 1413 O LEU A 90 -5.608 -3.902 3.166 1.00 0.00 O ATOM 1414 CB LEU A 90 -7.673 -1.815 1.702 1.00 0.00 C ATOM 1415 CG LEU A 90 -7.365 -2.649 0.458 1.00 0.00 C ATOM 1416 CD1 LEU A 90 -8.298 -2.273 -0.682 1.00 0.00 C ATOM 1417 CD2 LEU A 90 -5.912 -2.470 0.044 1.00 0.00 C ATOM 0 H LEU A 90 -8.708 -0.955 3.767 1.00 0.00 H new ATOM 0 HA LEU A 90 -8.128 -3.530 2.887 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -8.668 -1.384 1.594 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -6.969 -0.984 1.747 1.00 0.00 H new ATOM 0 HG LEU A 90 -7.527 -3.700 0.698 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -8.063 -2.877 -1.558 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -9.330 -2.454 -0.382 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -8.170 -1.218 -0.924 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -5.710 -3.070 -0.843 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -5.724 -1.420 -0.178 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -5.260 -2.791 0.856 1.00 0.00 H new ATOM 1429 N ILE A 91 -5.578 -1.860 4.115 1.00 0.00 N ATOM 1430 CA ILE A 91 -4.214 -1.978 4.604 1.00 0.00 C ATOM 1431 C ILE A 91 -4.191 -2.789 5.889 1.00 0.00 C ATOM 1432 O ILE A 91 -3.413 -3.731 6.038 1.00 0.00 O ATOM 1433 CB ILE A 91 -3.564 -0.609 4.886 1.00 0.00 C ATOM 1434 CG1 ILE A 91 -3.614 0.271 3.646 1.00 0.00 C ATOM 1435 CG2 ILE A 91 -2.121 -0.798 5.336 1.00 0.00 C ATOM 1436 CD1 ILE A 91 -2.922 -0.346 2.463 1.00 0.00 C ATOM 0 H ILE A 91 -6.029 -0.973 4.340 1.00 0.00 H new ATOM 0 HA ILE A 91 -3.644 -2.473 3.818 1.00 0.00 H new ATOM 0 HB ILE A 91 -4.123 -0.117 5.682 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -4.655 0.469 3.389 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -3.152 1.233 3.870 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -1.671 0.175 5.533 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -2.099 -1.398 6.245 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -1.559 -1.306 4.552 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -2.991 0.328 1.609 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -1.873 -0.520 2.705 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -3.399 -1.294 2.216 1.00 0.00 H new ATOM 1448 N GLN A 92 -5.060 -2.405 6.818 1.00 0.00 N ATOM 1449 CA GLN A 92 -5.155 -3.080 8.098 1.00 0.00 C ATOM 1450 C GLN A 92 -5.301 -4.574 7.887 1.00 0.00 C ATOM 1451 O GLN A 92 -4.670 -5.369 8.583 1.00 0.00 O ATOM 1452 CB GLN A 92 -6.338 -2.539 8.902 1.00 0.00 C ATOM 1453 CG GLN A 92 -6.053 -1.209 9.581 1.00 0.00 C ATOM 1454 CD GLN A 92 -4.995 -0.396 8.859 1.00 0.00 C ATOM 1455 OE1 GLN A 92 -5.297 0.621 8.234 1.00 0.00 O ATOM 1456 NE2 GLN A 92 -3.745 -0.838 8.945 1.00 0.00 N ATOM 0 H GLN A 92 -5.709 -1.626 6.703 1.00 0.00 H new ATOM 0 HA GLN A 92 -4.241 -2.891 8.662 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -7.195 -2.423 8.239 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -6.618 -3.272 9.659 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -6.975 -0.630 9.637 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -5.728 -1.391 10.605 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -3.539 -1.686 9.474 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -2.991 -0.330 8.482 1.00 0.00 H new ATOM 1465 N TYR A 93 -6.116 -4.961 6.911 1.00 0.00 N ATOM 1466 CA TYR A 93 -6.291 -6.376 6.627 1.00 0.00 C ATOM 1467 C TYR A 93 -5.031 -6.940 5.985 1.00 0.00 C ATOM 1468 O TYR A 93 -4.711 -8.115 6.163 1.00 0.00 O ATOM 1469 CB TYR A 93 -7.514 -6.617 5.742 1.00 0.00 C ATOM 1470 CG TYR A 93 -7.209 -6.737 4.266 1.00 0.00 C ATOM 1471 CD1 TYR A 93 -7.087 -5.606 3.476 1.00 0.00 C ATOM 1472 CD2 TYR A 93 -7.076 -7.981 3.657 1.00 0.00 C ATOM 1473 CE1 TYR A 93 -6.846 -5.705 2.119 1.00 0.00 C ATOM 1474 CE2 TYR A 93 -6.826 -8.088 2.303 1.00 0.00 C ATOM 1475 CZ TYR A 93 -6.717 -6.948 1.538 1.00 0.00 C ATOM 1476 OH TYR A 93 -6.495 -7.050 0.185 1.00 0.00 O ATOM 0 H TYR A 93 -6.653 -4.330 6.317 1.00 0.00 H new ATOM 0 HA TYR A 93 -6.464 -6.897 7.569 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -8.011 -7.529 6.072 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -8.219 -5.799 5.889 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -7.182 -4.630 3.928 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -7.170 -8.877 4.253 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -6.759 -4.813 1.517 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -6.717 -9.061 1.846 1.00 0.00 H new ATOM 0 HH TYR A 93 -5.693 -6.540 -0.054 1.00 0.00 H new ATOM 1486 N HIS A 94 -4.297 -6.096 5.255 1.00 0.00 N ATOM 1487 CA HIS A 94 -3.064 -6.537 4.626 1.00 0.00 C ATOM 1488 C HIS A 94 -1.890 -6.384 5.589 1.00 0.00 C ATOM 1489 O HIS A 94 -0.861 -7.044 5.441 1.00 0.00 O ATOM 1490 CB HIS A 94 -2.841 -5.808 3.302 1.00 0.00 C ATOM 1491 CG HIS A 94 -3.518 -6.512 2.170 1.00 0.00 C ATOM 1492 ND1 HIS A 94 -4.021 -7.766 2.103 1.00 0.00 N flip ATOM 1493 CD2 HIS A 94 -3.769 -5.934 0.943 1.00 0.00 C flip ATOM 1494 CE1 HIS A 94 -4.563 -7.923 0.855 1.00 0.00 C flip ATOM 1495 NE2 HIS A 94 -4.401 -6.807 0.174 1.00 0.00 N flip ATOM 0 H HIS A 94 -4.536 -5.118 5.090 1.00 0.00 H new ATOM 0 HA HIS A 94 -3.144 -7.598 4.388 1.00 0.00 H new ATOM 0 HB2 HIS A 94 -3.221 -4.789 3.378 1.00 0.00 H new ATOM 0 HB3 HIS A 94 -1.772 -5.736 3.100 1.00 0.00 H new ATOM 0 HD1 HIS A 94 -4.000 -8.466 2.845 1.00 0.00 H new ATOM 0 HD2 HIS A 94 -3.494 -4.930 0.656 1.00 0.00 H new ATOM 0 HE1 HIS A 94 -5.045 -8.817 0.488 1.00 0.00 H new ATOM 1504 N GLN A 95 -2.071 -5.538 6.602 1.00 0.00 N ATOM 1505 CA GLN A 95 -1.048 -5.331 7.624 1.00 0.00 C ATOM 1506 C GLN A 95 -0.994 -6.543 8.545 1.00 0.00 C ATOM 1507 O GLN A 95 -0.121 -6.650 9.406 1.00 0.00 O ATOM 1508 CB GLN A 95 -1.356 -4.075 8.443 1.00 0.00 C ATOM 1509 CG GLN A 95 -1.290 -2.787 7.640 1.00 0.00 C ATOM 1510 CD GLN A 95 -0.418 -1.737 8.299 1.00 0.00 C ATOM 1511 OE1 GLN A 95 -0.782 -0.472 8.127 1.00 0.00 O flip ATOM 1512 NE2 GLN A 95 0.573 -2.058 8.955 1.00 0.00 N flip ATOM 0 H GLN A 95 -2.917 -4.985 6.736 1.00 0.00 H new ATOM 0 HA GLN A 95 -0.083 -5.201 7.134 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -2.351 -4.171 8.877 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -0.651 -4.012 9.272 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -0.903 -3.003 6.644 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -2.297 -2.390 7.512 1.00 0.00 H new ATOM 0 HE21 GLN A 95 0.817 -3.043 9.062 1.00 0.00 H new ATOM 0 HE22 GLN A 95 1.150 -1.339 9.392 1.00 0.00 H new ATOM 1521 N TYR A 96 -1.945 -7.454 8.353 1.00 0.00 N ATOM 1522 CA TYR A 96 -2.029 -8.664 9.157 1.00 0.00 C ATOM 1523 C TYR A 96 -2.134 -9.904 8.273 1.00 0.00 C ATOM 1524 O TYR A 96 -1.396 -10.872 8.453 1.00 0.00 O ATOM 1525 CB TYR A 96 -3.238 -8.587 10.091 1.00 0.00 C ATOM 1526 CG TYR A 96 -3.089 -7.560 11.188 1.00 0.00 C ATOM 1527 CD1 TYR A 96 -2.928 -6.215 10.885 1.00 0.00 C ATOM 1528 CD2 TYR A 96 -3.110 -7.934 12.526 1.00 0.00 C ATOM 1529 CE1 TYR A 96 -2.792 -5.270 11.883 1.00 0.00 C ATOM 1530 CE2 TYR A 96 -2.975 -6.995 13.530 1.00 0.00 C ATOM 1531 CZ TYR A 96 -2.816 -5.665 13.204 1.00 0.00 C ATOM 1532 OH TYR A 96 -2.680 -4.726 14.201 1.00 0.00 O ATOM 0 H TYR A 96 -2.672 -7.373 7.642 1.00 0.00 H new ATOM 0 HA TYR A 96 -1.118 -8.743 9.750 1.00 0.00 H new ATOM 0 HB2 TYR A 96 -4.126 -8.353 9.504 1.00 0.00 H new ATOM 0 HB3 TYR A 96 -3.402 -9.566 10.541 1.00 0.00 H new ATOM 0 HD1 TYR A 96 -2.909 -5.902 9.851 1.00 0.00 H new ATOM 0 HD2 TYR A 96 -3.234 -8.975 12.785 1.00 0.00 H new ATOM 0 HE1 TYR A 96 -2.668 -4.227 11.630 1.00 0.00 H new ATOM 0 HE2 TYR A 96 -2.994 -7.301 14.565 1.00 0.00 H new ATOM 0 HH TYR A 96 -2.720 -5.168 15.075 1.00 0.00 H new ATOM 1542 N ASN A 97 -3.060 -9.867 7.318 1.00 0.00 N ATOM 1543 CA ASN A 97 -3.266 -10.989 6.407 1.00 0.00 C ATOM 1544 C ASN A 97 -2.150 -11.068 5.370 1.00 0.00 C ATOM 1545 O ASN A 97 -1.146 -10.363 5.470 1.00 0.00 O ATOM 1546 CB ASN A 97 -4.620 -10.861 5.706 1.00 0.00 C ATOM 1547 CG ASN A 97 -5.784 -11.098 6.648 1.00 0.00 C ATOM 1548 OD1 ASN A 97 -5.764 -10.428 7.794 1.00 0.00 O flip ATOM 1549 ND2 ASN A 97 -6.691 -11.875 6.349 1.00 0.00 N flip ATOM 0 H ASN A 97 -3.679 -9.073 7.155 1.00 0.00 H new ATOM 0 HA ASN A 97 -3.252 -11.906 6.996 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -4.707 -9.866 5.269 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -4.670 -11.576 4.885 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -6.666 -12.369 5.457 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -7.468 -12.024 6.993 1.00 0.00 H new ATOM 1556 N GLY A 98 -2.333 -11.933 4.376 1.00 0.00 N ATOM 1557 CA GLY A 98 -1.334 -12.092 3.335 1.00 0.00 C ATOM 1558 C GLY A 98 -1.597 -11.204 2.133 1.00 0.00 C ATOM 1559 O GLY A 98 -0.663 -10.743 1.478 1.00 0.00 O ATOM 0 H GLY A 98 -3.156 -12.527 4.273 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -0.350 -11.862 3.743 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -1.311 -13.134 3.015 1.00 0.00 H new ATOM 1563 N GLY A 99 -2.871 -10.964 1.843 1.00 0.00 N ATOM 1564 CA GLY A 99 -3.229 -10.124 0.715 1.00 0.00 C ATOM 1565 C GLY A 99 -2.464 -10.476 -0.548 1.00 0.00 C ATOM 1566 O GLY A 99 -2.523 -9.744 -1.536 1.00 0.00 O ATOM 0 H GLY A 99 -3.662 -11.336 2.369 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -4.298 -10.216 0.524 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -3.040 -9.081 0.970 1.00 0.00 H new ATOM 1570 N GLY A 100 -1.744 -11.592 -0.521 1.00 0.00 N ATOM 1571 CA GLY A 100 -0.978 -12.006 -1.683 1.00 0.00 C ATOM 1572 C GLY A 100 0.190 -11.081 -1.978 1.00 0.00 C ATOM 1573 O GLY A 100 1.211 -11.513 -2.513 1.00 0.00 O ATOM 0 H GLY A 100 -1.677 -12.217 0.283 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -0.604 -13.017 -1.524 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -1.635 -12.042 -2.552 1.00 0.00 H new ATOM 1577 N LEU A 101 0.039 -9.805 -1.631 1.00 0.00 N ATOM 1578 CA LEU A 101 1.087 -8.817 -1.864 1.00 0.00 C ATOM 1579 C LEU A 101 2.467 -9.409 -1.594 1.00 0.00 C ATOM 1580 O LEU A 101 2.589 -10.550 -1.149 1.00 0.00 O ATOM 1581 CB LEU A 101 0.867 -7.590 -0.976 1.00 0.00 C ATOM 1582 CG LEU A 101 -0.304 -6.693 -1.383 1.00 0.00 C ATOM 1583 CD1 LEU A 101 -1.357 -7.491 -2.136 1.00 0.00 C ATOM 1584 CD2 LEU A 101 -0.912 -6.028 -0.157 1.00 0.00 C ATOM 0 H LEU A 101 -0.800 -9.432 -1.187 1.00 0.00 H new ATOM 0 HA LEU A 101 1.039 -8.516 -2.911 1.00 0.00 H new ATOM 0 HB2 LEU A 101 0.707 -7.927 0.048 1.00 0.00 H new ATOM 0 HB3 LEU A 101 1.779 -6.993 -0.977 1.00 0.00 H new ATOM 0 HG LEU A 101 0.073 -5.916 -2.048 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -2.180 -6.834 -2.416 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -0.914 -7.921 -3.035 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -1.732 -8.291 -1.498 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -1.744 -5.393 -0.462 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -1.273 -6.793 0.531 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -0.156 -5.421 0.340 1.00 0.00 H new ATOM 1596 N VAL A 102 3.504 -8.623 -1.866 1.00 0.00 N ATOM 1597 CA VAL A 102 4.876 -9.067 -1.652 1.00 0.00 C ATOM 1598 C VAL A 102 5.033 -9.727 -0.287 1.00 0.00 C ATOM 1599 O VAL A 102 5.798 -10.678 -0.130 1.00 0.00 O ATOM 1600 CB VAL A 102 5.870 -7.896 -1.760 1.00 0.00 C ATOM 1601 CG1 VAL A 102 5.935 -7.379 -3.189 1.00 0.00 C ATOM 1602 CG2 VAL A 102 5.488 -6.781 -0.799 1.00 0.00 C ATOM 0 H VAL A 102 3.420 -7.676 -2.235 1.00 0.00 H new ATOM 0 HA VAL A 102 5.098 -9.794 -2.433 1.00 0.00 H new ATOM 0 HB VAL A 102 6.860 -8.259 -1.485 1.00 0.00 H new ATOM 0 HG11 VAL A 102 6.643 -6.552 -3.245 1.00 0.00 H new ATOM 0 HG12 VAL A 102 6.261 -8.181 -3.852 1.00 0.00 H new ATOM 0 HG13 VAL A 102 4.948 -7.033 -3.496 1.00 0.00 H new ATOM 0 HG21 VAL A 102 6.202 -5.962 -0.890 1.00 0.00 H new ATOM 0 HG22 VAL A 102 4.488 -6.419 -1.040 1.00 0.00 H new ATOM 0 HG23 VAL A 102 5.500 -7.161 0.222 1.00 0.00 H new ATOM 1612 N THR A 103 4.303 -9.216 0.700 1.00 0.00 N ATOM 1613 CA THR A 103 4.362 -9.757 2.052 1.00 0.00 C ATOM 1614 C THR A 103 3.290 -9.130 2.939 1.00 0.00 C ATOM 1615 O THR A 103 3.488 -8.961 4.142 1.00 0.00 O ATOM 1616 CB THR A 103 5.748 -9.525 2.658 1.00 0.00 C ATOM 1617 OG1 THR A 103 5.662 -9.363 4.063 1.00 0.00 O ATOM 1618 CG2 THR A 103 6.450 -8.307 2.097 1.00 0.00 C ATOM 0 H THR A 103 3.664 -8.429 0.588 1.00 0.00 H new ATOM 0 HA THR A 103 4.175 -10.829 1.995 1.00 0.00 H new ATOM 0 HB THR A 103 6.328 -10.411 2.398 1.00 0.00 H new ATOM 0 HG1 THR A 103 4.833 -9.772 4.389 1.00 0.00 H new ATOM 0 HG21 THR A 103 7.427 -8.200 2.569 1.00 0.00 H new ATOM 0 HG22 THR A 103 6.578 -8.424 1.021 1.00 0.00 H new ATOM 0 HG23 THR A 103 5.852 -7.418 2.297 1.00 0.00 H new ATOM 1626 N ARG A 104 2.154 -8.792 2.337 1.00 0.00 N ATOM 1627 CA ARG A 104 1.045 -8.187 3.069 1.00 0.00 C ATOM 1628 C ARG A 104 1.541 -7.134 4.052 1.00 0.00 C ATOM 1629 O ARG A 104 2.232 -7.454 5.019 1.00 0.00 O ATOM 1630 CB ARG A 104 0.258 -9.262 3.822 1.00 0.00 C ATOM 1631 CG ARG A 104 1.114 -10.106 4.753 1.00 0.00 C ATOM 1632 CD ARG A 104 1.351 -9.406 6.081 1.00 0.00 C ATOM 1633 NE ARG A 104 1.094 -10.286 7.217 1.00 0.00 N ATOM 1634 CZ ARG A 104 1.499 -10.026 8.456 1.00 0.00 C ATOM 1635 NH1 ARG A 104 2.176 -8.916 8.716 1.00 0.00 N ATOM 1636 NH2 ARG A 104 1.226 -10.876 9.437 1.00 0.00 N ATOM 0 H ARG A 104 1.976 -8.927 1.342 1.00 0.00 H new ATOM 0 HA ARG A 104 0.393 -7.701 2.343 1.00 0.00 H new ATOM 0 HB2 ARG A 104 -0.531 -8.783 4.402 1.00 0.00 H new ATOM 0 HB3 ARG A 104 -0.230 -9.916 3.099 1.00 0.00 H new ATOM 0 HG2 ARG A 104 0.626 -11.065 4.928 1.00 0.00 H new ATOM 0 HG3 ARG A 104 2.071 -10.318 4.276 1.00 0.00 H new ATOM 0 HD2 ARG A 104 2.380 -9.050 6.124 1.00 0.00 H new ATOM 0 HD3 ARG A 104 0.707 -8.529 6.149 1.00 0.00 H new ATOM 0 HE ARG A 104 0.575 -11.148 7.051 1.00 0.00 H new ATOM 0 HH11 ARG A 104 2.387 -8.259 7.964 1.00 0.00 H new ATOM 0 HH12 ARG A 104 2.486 -8.719 9.668 1.00 0.00 H new ATOM 0 HH21 ARG A 104 0.705 -11.731 9.241 1.00 0.00 H new ATOM 0 HH22 ARG A 104 1.537 -10.675 10.387 1.00 0.00 H new ATOM 1650 N LEU A 105 1.176 -5.878 3.806 1.00 0.00 N ATOM 1651 CA LEU A 105 1.580 -4.782 4.680 1.00 0.00 C ATOM 1652 C LEU A 105 2.495 -5.273 5.795 1.00 0.00 C ATOM 1653 O LEU A 105 2.156 -5.187 6.975 1.00 0.00 O ATOM 1654 CB LEU A 105 0.350 -4.096 5.278 1.00 0.00 C ATOM 1655 CG LEU A 105 -0.338 -3.083 4.378 1.00 0.00 C ATOM 1656 CD1 LEU A 105 0.412 -2.925 3.076 1.00 0.00 C ATOM 1657 CD2 LEU A 105 -1.766 -3.493 4.117 1.00 0.00 C ATOM 0 H LEU A 105 0.603 -5.595 3.011 1.00 0.00 H new ATOM 0 HA LEU A 105 2.133 -4.062 4.077 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -0.374 -4.863 5.552 1.00 0.00 H new ATOM 0 HB3 LEU A 105 0.647 -3.594 6.199 1.00 0.00 H new ATOM 0 HG LEU A 105 -0.341 -2.120 4.889 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -0.099 -2.195 2.448 1.00 0.00 H new ATOM 0 HD12 LEU A 105 1.426 -2.582 3.280 1.00 0.00 H new ATOM 0 HD13 LEU A 105 0.450 -3.884 2.560 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -2.244 -2.756 3.471 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -1.781 -4.468 3.629 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -2.306 -3.551 5.062 1.00 0.00 H new ATOM 1669 N ARG A 106 3.658 -5.787 5.412 1.00 0.00 N ATOM 1670 CA ARG A 106 4.625 -6.289 6.378 1.00 0.00 C ATOM 1671 C ARG A 106 5.024 -5.192 7.357 1.00 0.00 C ATOM 1672 O ARG A 106 5.194 -5.440 8.551 1.00 0.00 O ATOM 1673 CB ARG A 106 5.866 -6.819 5.660 1.00 0.00 C ATOM 1674 CG ARG A 106 6.589 -7.916 6.422 1.00 0.00 C ATOM 1675 CD ARG A 106 7.289 -7.369 7.656 1.00 0.00 C ATOM 1676 NE ARG A 106 7.218 -8.296 8.782 1.00 0.00 N ATOM 1677 CZ ARG A 106 6.121 -8.491 9.506 1.00 0.00 C ATOM 1678 NH1 ARG A 106 5.009 -7.826 9.222 1.00 0.00 N ATOM 1679 NH2 ARG A 106 6.135 -9.352 10.515 1.00 0.00 N ATOM 0 H ARG A 106 3.953 -5.867 4.439 1.00 0.00 H new ATOM 0 HA ARG A 106 4.160 -7.103 6.934 1.00 0.00 H new ATOM 0 HB2 ARG A 106 5.574 -7.200 4.681 1.00 0.00 H new ATOM 0 HB3 ARG A 106 6.556 -5.993 5.488 1.00 0.00 H new ATOM 0 HG2 ARG A 106 5.876 -8.686 6.718 1.00 0.00 H new ATOM 0 HG3 ARG A 106 7.320 -8.393 5.769 1.00 0.00 H new ATOM 0 HD2 ARG A 106 8.333 -7.165 7.420 1.00 0.00 H new ATOM 0 HD3 ARG A 106 6.835 -6.419 7.939 1.00 0.00 H new ATOM 0 HE ARG A 106 8.057 -8.823 9.026 1.00 0.00 H new ATOM 0 HH11 ARG A 106 4.995 -7.163 8.447 1.00 0.00 H new ATOM 0 HH12 ARG A 106 4.168 -7.977 9.779 1.00 0.00 H new ATOM 0 HH21 ARG A 106 6.988 -9.865 10.736 1.00 0.00 H new ATOM 0 HH22 ARG A 106 5.292 -9.501 11.070 1.00 0.00 H new ATOM 1693 N TYR A 107 5.174 -3.977 6.841 1.00 0.00 N ATOM 1694 CA TYR A 107 5.556 -2.840 7.666 1.00 0.00 C ATOM 1695 C TYR A 107 5.385 -1.522 6.918 1.00 0.00 C ATOM 1696 O TYR A 107 6.270 -1.105 6.171 1.00 0.00 O ATOM 1697 CB TYR A 107 7.008 -2.972 8.116 1.00 0.00 C ATOM 1698 CG TYR A 107 7.520 -1.722 8.783 1.00 0.00 C ATOM 1699 CD1 TYR A 107 6.994 -1.308 9.996 1.00 0.00 C ATOM 1700 CD2 TYR A 107 8.511 -0.948 8.195 1.00 0.00 C ATOM 1701 CE1 TYR A 107 7.440 -0.159 10.610 1.00 0.00 C ATOM 1702 CE2 TYR A 107 8.967 0.206 8.804 1.00 0.00 C ATOM 1703 CZ TYR A 107 8.428 0.597 10.012 1.00 0.00 C ATOM 1704 OH TYR A 107 8.876 1.745 10.623 1.00 0.00 O ATOM 0 H TYR A 107 5.037 -3.756 5.855 1.00 0.00 H new ATOM 0 HA TYR A 107 4.898 -2.836 8.535 1.00 0.00 H new ATOM 0 HB2 TYR A 107 7.096 -3.811 8.806 1.00 0.00 H new ATOM 0 HB3 TYR A 107 7.633 -3.202 7.253 1.00 0.00 H new ATOM 0 HD1 TYR A 107 6.221 -1.896 10.468 1.00 0.00 H new ATOM 0 HD2 TYR A 107 8.932 -1.252 7.248 1.00 0.00 H new ATOM 0 HE1 TYR A 107 7.019 0.149 11.555 1.00 0.00 H new ATOM 0 HE2 TYR A 107 9.740 0.798 8.337 1.00 0.00 H new ATOM 0 HH TYR A 107 8.252 2.478 10.439 1.00 0.00 H new ATOM 1714 N PRO A 108 4.250 -0.837 7.122 1.00 0.00 N ATOM 1715 CA PRO A 108 3.985 0.449 6.477 1.00 0.00 C ATOM 1716 C PRO A 108 5.121 1.441 6.723 1.00 0.00 C ATOM 1717 O PRO A 108 5.767 1.406 7.771 1.00 0.00 O ATOM 1718 CB PRO A 108 2.685 0.928 7.145 1.00 0.00 C ATOM 1719 CG PRO A 108 2.526 0.074 8.356 1.00 0.00 C ATOM 1720 CD PRO A 108 3.146 -1.241 8.000 1.00 0.00 C ATOM 0 HA PRO A 108 3.902 0.364 5.394 1.00 0.00 H new ATOM 0 HB2 PRO A 108 2.746 1.983 7.413 1.00 0.00 H new ATOM 0 HB3 PRO A 108 1.834 0.819 6.473 1.00 0.00 H new ATOM 0 HG2 PRO A 108 3.020 0.520 9.219 1.00 0.00 H new ATOM 0 HG3 PRO A 108 1.474 -0.045 8.617 1.00 0.00 H new ATOM 0 HD2 PRO A 108 3.501 -1.775 8.881 1.00 0.00 H new ATOM 0 HD3 PRO A 108 2.441 -1.899 7.491 1.00 0.00 H new ATOM 1728 N VAL A 109 5.377 2.311 5.751 1.00 0.00 N ATOM 1729 CA VAL A 109 6.440 3.290 5.861 1.00 0.00 C ATOM 1730 C VAL A 109 5.977 4.655 5.375 1.00 0.00 C ATOM 1731 O VAL A 109 5.274 4.760 4.370 1.00 0.00 O ATOM 1732 CB VAL A 109 7.658 2.862 5.033 1.00 0.00 C ATOM 1733 CG1 VAL A 109 8.462 1.798 5.764 1.00 0.00 C ATOM 1734 CG2 VAL A 109 7.215 2.367 3.666 1.00 0.00 C ATOM 0 H VAL A 109 4.856 2.353 4.875 1.00 0.00 H new ATOM 0 HA VAL A 109 6.714 3.354 6.914 1.00 0.00 H new ATOM 0 HB VAL A 109 8.305 3.728 4.892 1.00 0.00 H new ATOM 0 HG11 VAL A 109 9.321 1.510 5.157 1.00 0.00 H new ATOM 0 HG12 VAL A 109 8.808 2.195 6.718 1.00 0.00 H new ATOM 0 HG13 VAL A 109 7.834 0.925 5.941 1.00 0.00 H new ATOM 0 HG21 VAL A 109 8.088 2.066 3.087 1.00 0.00 H new ATOM 0 HG22 VAL A 109 6.548 1.513 3.787 1.00 0.00 H new ATOM 0 HG23 VAL A 109 6.691 3.166 3.142 1.00 0.00 H new ATOM 1744 N CYS A 110 6.373 5.699 6.089 1.00 0.00 N ATOM 1745 CA CYS A 110 5.996 7.054 5.721 1.00 0.00 C ATOM 1746 C CYS A 110 7.193 7.991 5.810 1.00 0.00 C ATOM 1747 O CYS A 110 7.432 8.620 6.841 1.00 0.00 O ATOM 1748 CB CYS A 110 4.862 7.552 6.616 1.00 0.00 C ATOM 1749 SG CYS A 110 4.992 9.294 7.080 1.00 0.00 S ATOM 0 H CYS A 110 6.954 5.633 6.925 1.00 0.00 H new ATOM 0 HA CYS A 110 5.647 7.043 4.688 1.00 0.00 H new ATOM 0 HB2 CYS A 110 3.914 7.395 6.102 1.00 0.00 H new ATOM 0 HB3 CYS A 110 4.838 6.947 7.523 1.00 0.00 H new ATOM 0 HG CYS A 110 6.231 9.580 7.349 1.00 0.00 H new ATOM 1755 N GLY A 111 7.941 8.075 4.717 1.00 0.00 N ATOM 1756 CA GLY A 111 9.110 8.934 4.680 1.00 0.00 C ATOM 1757 C GLY A 111 8.986 10.037 3.646 1.00 0.00 C ATOM 1758 O GLY A 111 8.085 10.872 3.726 1.00 0.00 O ATOM 0 H GLY A 111 7.759 7.563 3.854 1.00 0.00 H new ATOM 0 HA2 GLY A 111 9.262 9.378 5.664 1.00 0.00 H new ATOM 0 HA3 GLY A 111 9.992 8.333 4.461 1.00 0.00 H new HETATM 1762 N NH2 A 112 9.888 10.050 2.672 1.00 0.00 N TER 1765 NH2 A 112