USER MOD reduce.3.24.130724 H: found=0, std=0, add=877, rem=0, adj=43 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 92 GLN :FLIP amide:sc= -2.11! C(o=-4.5!,f=-2.5!) USER MOD Set 1.2: A 95 GLN :FLIP amide:sc= -0.42 X(o=-2.8,f=-2.5) USER MOD Set 2.1: A 81 LYS NZ :NH3+ 160:sc= -4.04! (180deg=-2.09!) USER MOD Set 2.2: A 93 TYR OH : rot 42:sc= 1.34! USER MOD Set 2.3: A 94 HIS :FLIP no HD1:sc= -27! C(o=-37!,f=-30!) USER MOD Set 3.1: A 62 LYS NZ :NH3+ -131:sc= 1.09 (180deg=-0.0292) USER MOD Set 3.2: A 64 TYR OH : rot -144:sc= -3.03! USER MOD Set 4.1: A 48 SER OG : rot -40:sc= -4.27! USER MOD Set 4.2: A 63 HIS :FLIP no HE2:sc= -8.89! C(o=-14!,f=-13!) USER MOD Set 5.1: A 39 SER OG : rot -161:sc= 0.124 USER MOD Set 5.2: A 44 THR OG1 : rot -167:sc= -2.22! USER MOD Set 5.3: A 46 THR OG1 : rot 65:sc= -0.436 USER MOD Set 5.4: A 65 HIS : no HE2:sc= -19.4! C(o=-22!,f=-35!) USER MOD Set 6.1: A 13 ASN :FLIP amide:sc= -6.22! C(o=-38!,f=-26!) USER MOD Set 6.2: A 35 MET CE :methyl -133:sc= -19.4! (180deg=-19.3!) USER MOD Set 7.1: A 28 THR OG1 : rot 20:sc= -1.71! USER MOD Set 7.2: A 30 LYS NZ :NH3+ -159:sc= 0.787! (180deg=-1.1!) USER MOD Set 8.1: A 17 SER OG : rot 100:sc= 0.64 USER MOD Set 8.2: A 20 LYS NZ :NH3+ 138:sc= -4.12! (180deg=-4.67!) USER MOD Set 9.1: A 5 ASN : amide:sc= -0.024 K(o=0.37,f=-4) USER MOD Set 9.2: A 14 LYS NZ :NH3+ 146:sc= 0.392 (180deg=0) USER MOD Single : A 4 ASN : amide:sc= 0 X(o=0,f=-0.22) USER MOD Single : A 8 THR OG1 : rot 27:sc= 0.927 USER MOD Single : A 9 TYR OH : rot -2:sc= -2.41! USER MOD Single : A 12 TYR OH : rot 174:sc= -0.916 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ -160:sc= -8.59! (180deg=-10.6!) USER MOD Single : A 41 THR OG1 : rot 180:sc= -3.08! USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 THR OG1 : rot -67:sc= 0.049 USER MOD Single : A 52 LYS NZ :NH3+ -141:sc= -1.79! (180deg=-3.36!) USER MOD Single : A 56 SER OG : rot 180:sc= 0.0513 USER MOD Single : A 58 ASN :FLIP amide:sc= -1.52! C(o=-2.2!,f=-1.5!) USER MOD Single : A 60 CYS SG : 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 -102:sc= 0.0124 USER MOD Single : A 70 ASN : amide:sc= -1.97! C(o=-2!,f=-1.5!) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ -134:sc= 0.338 (180deg=0) USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 TYR OH : rot -139:sc= -1.2! USER MOD Single : A 82 TYR OH : rot 32:sc= -0.0895 USER MOD Single : A 86 SER OG : rot -82:sc= -10.6! USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 103 THR OG1 : rot 21:sc= -1.41! USER MOD Single : A 107 TYR OH : rot 180:sc= 0 USER MOD Single : A 110 CYS SG : rot -42:sc= 0.481 USER MOD ----------------------------------------------------------------- HETATM 1 C ACE A 3 -11.902 10.675 6.341 1.00 0.00 C HETATM 2 O ACE A 3 -11.104 10.717 7.278 1.00 0.00 O HETATM 3 CH3 ACE A 3 -13.163 11.501 6.362 1.00 0.00 C HETATM 0 H1 ACE A 3 -13.167 12.181 5.510 1.00 0.00 H new HETATM 0 H2 ACE A 3 -14.030 10.843 6.305 1.00 0.00 H new HETATM 0 H3 ACE A 3 -13.205 12.077 7.286 1.00 0.00 H new ATOM 7 N ASN A 4 -11.717 9.914 5.267 1.00 0.00 N ATOM 8 CA ASN A 4 -10.539 9.067 5.124 1.00 0.00 C ATOM 9 C ASN A 4 -9.260 9.895 5.197 1.00 0.00 C ATOM 10 O ASN A 4 -8.889 10.390 6.262 1.00 0.00 O ATOM 11 CB ASN A 4 -10.591 8.304 3.799 1.00 0.00 C ATOM 12 CG ASN A 4 -11.644 7.214 3.801 1.00 0.00 C ATOM 13 OD1 ASN A 4 -11.464 6.161 4.413 1.00 0.00 O ATOM 14 ND2 ASN A 4 -12.752 7.460 3.112 1.00 0.00 N ATOM 0 H ASN A 4 -12.368 9.867 4.483 1.00 0.00 H new ATOM 0 HA ASN A 4 -10.535 8.353 5.947 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -10.797 9.003 2.988 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -9.615 7.862 3.599 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -13.495 6.762 3.076 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -12.860 8.347 2.619 1.00 0.00 H new ATOM 21 N ASN A 5 -8.590 10.042 4.059 1.00 0.00 N ATOM 22 CA ASN A 5 -7.353 10.810 3.994 1.00 0.00 C ATOM 23 C ASN A 5 -6.155 9.947 4.377 1.00 0.00 C ATOM 24 O ASN A 5 -5.052 10.141 3.872 1.00 0.00 O ATOM 25 CB ASN A 5 -7.435 12.027 4.917 1.00 0.00 C ATOM 26 CG ASN A 5 -7.057 13.315 4.211 1.00 0.00 C ATOM 27 OD1 ASN A 5 -6.230 13.317 3.299 1.00 0.00 O ATOM 28 ND2 ASN A 5 -7.663 14.420 4.631 1.00 0.00 N ATOM 0 H ASN A 5 -8.883 9.639 3.169 1.00 0.00 H new ATOM 0 HA ASN A 5 -7.219 11.149 2.967 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -8.448 12.115 5.309 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -6.775 11.877 5.771 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -7.449 15.316 4.194 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -8.342 14.372 5.390 1.00 0.00 H new ATOM 35 N LEU A 6 -6.382 8.995 5.275 1.00 0.00 N ATOM 36 CA LEU A 6 -5.325 8.095 5.733 1.00 0.00 C ATOM 37 C LEU A 6 -3.999 8.817 5.887 1.00 0.00 C ATOM 38 O LEU A 6 -2.948 8.183 5.980 1.00 0.00 O ATOM 39 CB LEU A 6 -5.145 6.935 4.759 1.00 0.00 C ATOM 40 CG LEU A 6 -5.829 7.110 3.412 1.00 0.00 C ATOM 41 CD1 LEU A 6 -4.921 6.627 2.296 1.00 0.00 C ATOM 42 CD2 LEU A 6 -7.142 6.359 3.407 1.00 0.00 C ATOM 0 H LEU A 6 -7.292 8.825 5.703 1.00 0.00 H new ATOM 0 HA LEU A 6 -5.633 7.716 6.707 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -4.079 6.785 4.590 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -5.525 6.026 5.226 1.00 0.00 H new ATOM 0 HG LEU A 6 -6.034 8.167 3.245 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -5.422 6.758 1.337 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -3.996 7.204 2.304 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -4.691 5.572 2.445 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -7.630 6.486 2.441 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -6.956 5.300 3.583 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -7.788 6.750 4.194 1.00 0.00 H new ATOM 54 N GLU A 7 -4.044 10.136 5.912 1.00 0.00 N ATOM 55 CA GLU A 7 -2.828 10.920 6.053 1.00 0.00 C ATOM 56 C GLU A 7 -2.233 10.761 7.447 1.00 0.00 C ATOM 57 O GLU A 7 -1.658 11.699 8.000 1.00 0.00 O ATOM 58 CB GLU A 7 -3.102 12.396 5.760 1.00 0.00 C ATOM 59 CG GLU A 7 -4.234 12.980 6.589 1.00 0.00 C ATOM 60 CD GLU A 7 -3.761 14.057 7.545 1.00 0.00 C ATOM 61 OE1 GLU A 7 -3.025 14.963 7.101 1.00 0.00 O ATOM 62 OE2 GLU A 7 -4.126 13.994 8.738 1.00 0.00 O ATOM 0 H GLU A 7 -4.901 10.685 5.837 1.00 0.00 H new ATOM 0 HA GLU A 7 -2.104 10.548 5.328 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -2.194 12.969 5.945 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -3.341 12.510 4.703 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -4.989 13.397 5.923 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -4.714 12.182 7.155 1.00 0.00 H new ATOM 69 N THR A 8 -2.373 9.565 8.009 1.00 0.00 N ATOM 70 CA THR A 8 -1.849 9.278 9.336 1.00 0.00 C ATOM 71 C THR A 8 -1.299 7.855 9.420 1.00 0.00 C ATOM 72 O THR A 8 -0.817 7.434 10.472 1.00 0.00 O ATOM 73 CB THR A 8 -2.939 9.477 10.390 1.00 0.00 C ATOM 74 OG1 THR A 8 -2.708 8.646 11.513 1.00 0.00 O ATOM 75 CG2 THR A 8 -4.331 9.179 9.876 1.00 0.00 C ATOM 0 H THR A 8 -2.846 8.779 7.564 1.00 0.00 H new ATOM 0 HA THR A 8 -1.030 9.972 9.528 1.00 0.00 H new ATOM 0 HB THR A 8 -2.888 10.531 10.662 1.00 0.00 H new ATOM 0 HG1 THR A 8 -1.749 8.462 11.592 1.00 0.00 H new ATOM 0 HG21 THR A 8 -5.056 9.340 10.674 1.00 0.00 H new ATOM 0 HG22 THR A 8 -4.559 9.840 9.040 1.00 0.00 H new ATOM 0 HG23 THR A 8 -4.382 8.142 9.544 1.00 0.00 H new ATOM 83 N TYR A 9 -1.372 7.112 8.316 1.00 0.00 N ATOM 84 CA TYR A 9 -0.877 5.740 8.297 1.00 0.00 C ATOM 85 C TYR A 9 0.601 5.691 7.966 1.00 0.00 C ATOM 86 O TYR A 9 1.040 6.212 6.940 1.00 0.00 O ATOM 87 CB TYR A 9 -1.658 4.901 7.292 1.00 0.00 C ATOM 88 CG TYR A 9 -3.125 4.836 7.627 1.00 0.00 C ATOM 89 CD1 TYR A 9 -3.581 3.989 8.626 1.00 0.00 C ATOM 90 CD2 TYR A 9 -4.050 5.635 6.965 1.00 0.00 C ATOM 91 CE1 TYR A 9 -4.917 3.933 8.958 1.00 0.00 C ATOM 92 CE2 TYR A 9 -5.393 5.585 7.296 1.00 0.00 C ATOM 93 CZ TYR A 9 -5.819 4.734 8.292 1.00 0.00 C ATOM 94 OH TYR A 9 -7.154 4.684 8.623 1.00 0.00 O ATOM 0 H TYR A 9 -1.766 7.435 7.432 1.00 0.00 H new ATOM 0 HA TYR A 9 -1.020 5.327 9.295 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -1.533 5.322 6.294 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -1.247 3.892 7.266 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -2.877 3.362 9.153 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -3.717 6.302 6.184 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -5.255 3.265 9.736 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -6.104 6.210 6.776 1.00 0.00 H new ATOM 0 HH TYR A 9 -7.293 4.012 9.323 1.00 0.00 H new ATOM 104 N GLU A 10 1.364 5.048 8.835 1.00 0.00 N ATOM 105 CA GLU A 10 2.792 4.913 8.629 1.00 0.00 C ATOM 106 C GLU A 10 3.084 4.594 7.171 1.00 0.00 C ATOM 107 O GLU A 10 4.204 4.775 6.699 1.00 0.00 O ATOM 108 CB GLU A 10 3.347 3.799 9.518 1.00 0.00 C ATOM 109 CG GLU A 10 4.451 2.988 8.860 1.00 0.00 C ATOM 110 CD GLU A 10 5.540 2.587 9.836 1.00 0.00 C ATOM 111 OE1 GLU A 10 5.203 2.167 10.962 1.00 0.00 O ATOM 112 OE2 GLU A 10 6.731 2.694 9.473 1.00 0.00 O ATOM 0 H GLU A 10 1.016 4.612 9.689 1.00 0.00 H new ATOM 0 HA GLU A 10 3.272 5.856 8.892 1.00 0.00 H new ATOM 0 HB2 GLU A 10 3.730 4.238 10.439 1.00 0.00 H new ATOM 0 HB3 GLU A 10 2.533 3.130 9.798 1.00 0.00 H new ATOM 0 HG2 GLU A 10 4.021 2.092 8.412 1.00 0.00 H new ATOM 0 HG3 GLU A 10 4.890 3.570 8.050 1.00 0.00 H new ATOM 119 N TRP A 11 2.074 4.085 6.470 1.00 0.00 N ATOM 120 CA TRP A 11 2.230 3.701 5.077 1.00 0.00 C ATOM 121 C TRP A 11 1.718 4.753 4.093 1.00 0.00 C ATOM 122 O TRP A 11 2.306 4.947 3.032 1.00 0.00 O ATOM 123 CB TRP A 11 1.473 2.407 4.843 1.00 0.00 C ATOM 124 CG TRP A 11 0.116 2.401 5.485 1.00 0.00 C ATOM 125 CD1 TRP A 11 -0.241 1.863 6.692 1.00 0.00 C ATOM 126 CD2 TRP A 11 -1.074 2.951 4.926 1.00 0.00 C ATOM 127 NE1 TRP A 11 -1.594 2.040 6.903 1.00 0.00 N ATOM 128 CE2 TRP A 11 -2.123 2.710 5.831 1.00 0.00 C ATOM 129 CE3 TRP A 11 -1.347 3.624 3.742 1.00 0.00 C ATOM 130 CZ2 TRP A 11 -3.429 3.121 5.578 1.00 0.00 C ATOM 131 CZ3 TRP A 11 -2.640 4.032 3.489 1.00 0.00 C ATOM 132 CH2 TRP A 11 -3.666 3.779 4.403 1.00 0.00 C ATOM 0 H TRP A 11 1.139 3.930 6.848 1.00 0.00 H new ATOM 0 HA TRP A 11 3.299 3.588 4.895 1.00 0.00 H new ATOM 0 HB2 TRP A 11 1.363 2.245 3.771 1.00 0.00 H new ATOM 0 HB3 TRP A 11 2.058 1.574 5.233 1.00 0.00 H new ATOM 0 HD1 TRP A 11 0.435 1.373 7.377 1.00 0.00 H new ATOM 0 HE1 TRP A 11 -2.114 1.724 7.722 1.00 0.00 H new ATOM 0 HE3 TRP A 11 -0.559 3.825 3.031 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 -4.224 2.928 6.283 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 -2.863 4.555 2.571 1.00 0.00 H new ATOM 0 HH2 TRP A 11 -4.669 4.111 4.176 1.00 0.00 H new ATOM 143 N TYR A 12 0.598 5.390 4.410 1.00 0.00 N ATOM 144 CA TYR A 12 0.008 6.367 3.498 1.00 0.00 C ATOM 145 C TYR A 12 0.896 7.581 3.252 1.00 0.00 C ATOM 146 O TYR A 12 1.499 8.140 4.168 1.00 0.00 O ATOM 147 CB TYR A 12 -1.358 6.838 3.992 1.00 0.00 C ATOM 148 CG TYR A 12 -2.059 7.749 3.004 1.00 0.00 C ATOM 149 CD1 TYR A 12 -2.200 7.385 1.669 1.00 0.00 C ATOM 150 CD2 TYR A 12 -2.574 8.974 3.403 1.00 0.00 C ATOM 151 CE1 TYR A 12 -2.836 8.214 0.766 1.00 0.00 C ATOM 152 CE2 TYR A 12 -3.210 9.809 2.504 1.00 0.00 C ATOM 153 CZ TYR A 12 -3.339 9.424 1.188 1.00 0.00 C ATOM 154 OH TYR A 12 -3.972 10.254 0.291 1.00 0.00 O ATOM 0 H TYR A 12 0.084 5.252 5.280 1.00 0.00 H new ATOM 0 HA TYR A 12 -0.103 5.841 2.550 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -1.987 5.970 4.188 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -1.235 7.363 4.939 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -1.805 6.438 1.333 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -2.476 9.280 4.434 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -2.938 7.914 -0.267 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -3.604 10.759 2.832 1.00 0.00 H new ATOM 0 HH TYR A 12 -4.351 11.022 0.767 1.00 0.00 H new ATOM 164 N ASN A 13 0.924 7.987 1.988 1.00 0.00 N ATOM 165 CA ASN A 13 1.675 9.144 1.534 1.00 0.00 C ATOM 166 C ASN A 13 0.912 9.789 0.384 1.00 0.00 C ATOM 167 O ASN A 13 1.004 9.345 -0.760 1.00 0.00 O ATOM 168 CB ASN A 13 3.070 8.730 1.078 1.00 0.00 C ATOM 169 CG ASN A 13 4.085 8.794 2.199 1.00 0.00 C ATOM 170 OD1 ASN A 13 4.597 7.639 2.589 1.00 0.00 O flip ATOM 171 ND2 ASN A 13 4.403 9.870 2.706 1.00 0.00 N flip ATOM 0 H ASN A 13 0.417 7.512 1.241 1.00 0.00 H new ATOM 0 HA ASN A 13 1.789 9.855 2.352 1.00 0.00 H new ATOM 0 HB2 ASN A 13 3.034 7.715 0.682 1.00 0.00 H new ATOM 0 HB3 ASN A 13 3.391 9.379 0.263 1.00 0.00 H new ATOM 0 HD21 ASN A 13 3.981 10.736 2.371 1.00 0.00 H new ATOM 0 HD22 ASN A 13 5.089 9.895 3.461 1.00 0.00 H new ATOM 178 N LYS A 14 0.131 10.814 0.699 1.00 0.00 N ATOM 179 CA LYS A 14 -0.680 11.490 -0.298 1.00 0.00 C ATOM 180 C LYS A 14 0.178 12.224 -1.323 1.00 0.00 C ATOM 181 O LYS A 14 0.272 11.816 -2.481 1.00 0.00 O ATOM 182 CB LYS A 14 -1.623 12.470 0.395 1.00 0.00 C ATOM 183 CG LYS A 14 -1.452 13.906 -0.057 1.00 0.00 C ATOM 184 CD LYS A 14 -2.748 14.690 0.068 1.00 0.00 C ATOM 185 CE LYS A 14 -3.393 14.487 1.429 1.00 0.00 C ATOM 186 NZ LYS A 14 -4.637 15.293 1.580 1.00 0.00 N ATOM 0 H LYS A 14 0.044 11.195 1.641 1.00 0.00 H new ATOM 0 HA LYS A 14 -1.257 10.736 -0.835 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -2.652 12.161 0.211 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -1.461 12.416 1.472 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -0.677 14.386 0.540 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -1.114 13.924 -1.093 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -2.549 15.750 -0.087 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -3.440 14.378 -0.714 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -3.626 13.431 1.567 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -2.685 14.762 2.211 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -5.320 14.771 2.165 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -4.410 16.199 2.038 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -5.050 15.473 0.643 1.00 0.00 H new ATOM 200 N SER A 15 0.789 13.317 -0.887 1.00 0.00 N ATOM 201 CA SER A 15 1.631 14.133 -1.761 1.00 0.00 C ATOM 202 C SER A 15 2.750 13.309 -2.395 1.00 0.00 C ATOM 203 O SER A 15 3.484 13.800 -3.252 1.00 0.00 O ATOM 204 CB SER A 15 2.230 15.301 -0.976 1.00 0.00 C ATOM 205 OG SER A 15 2.010 16.531 -1.643 1.00 0.00 O ATOM 0 H SER A 15 0.719 13.663 0.070 1.00 0.00 H new ATOM 0 HA SER A 15 1.000 14.517 -2.562 1.00 0.00 H new ATOM 0 HB2 SER A 15 1.787 15.339 0.019 1.00 0.00 H new ATOM 0 HB3 SER A 15 3.300 15.143 -0.843 1.00 0.00 H new ATOM 0 HG SER A 15 2.401 17.261 -1.120 1.00 0.00 H new ATOM 211 N ILE A 16 2.884 12.063 -1.960 1.00 0.00 N ATOM 212 CA ILE A 16 3.920 11.178 -2.469 1.00 0.00 C ATOM 213 C ILE A 16 3.797 10.907 -3.959 1.00 0.00 C ATOM 214 O ILE A 16 2.730 11.049 -4.556 1.00 0.00 O ATOM 215 CB ILE A 16 3.878 9.824 -1.754 1.00 0.00 C ATOM 216 CG1 ILE A 16 5.145 9.610 -0.951 1.00 0.00 C ATOM 217 CG2 ILE A 16 3.707 8.696 -2.760 1.00 0.00 C ATOM 218 CD1 ILE A 16 5.546 8.154 -0.867 1.00 0.00 C ATOM 0 H ILE A 16 2.283 11.642 -1.251 1.00 0.00 H new ATOM 0 HA ILE A 16 4.860 11.698 -2.281 1.00 0.00 H new ATOM 0 HB ILE A 16 3.025 9.823 -1.075 1.00 0.00 H new ATOM 0 HG12 ILE A 16 5.957 10.180 -1.403 1.00 0.00 H new ATOM 0 HG13 ILE A 16 5.002 10.002 0.056 1.00 0.00 H new ATOM 0 HG21 ILE A 16 3.679 7.741 -2.235 1.00 0.00 H new ATOM 0 HG22 ILE A 16 2.775 8.836 -3.308 1.00 0.00 H new ATOM 0 HG23 ILE A 16 4.544 8.702 -3.459 1.00 0.00 H new ATOM 0 HD11 ILE A 16 6.460 8.062 -0.280 1.00 0.00 H new ATOM 0 HD12 ILE A 16 4.749 7.584 -0.389 1.00 0.00 H new ATOM 0 HD13 ILE A 16 5.718 7.766 -1.871 1.00 0.00 H new ATOM 230 N SER A 17 4.909 10.465 -4.529 1.00 0.00 N ATOM 231 CA SER A 17 4.983 10.101 -5.932 1.00 0.00 C ATOM 232 C SER A 17 5.520 8.679 -6.040 1.00 0.00 C ATOM 233 O SER A 17 6.404 8.290 -5.277 1.00 0.00 O ATOM 234 CB SER A 17 5.884 11.071 -6.695 1.00 0.00 C ATOM 235 OG SER A 17 5.223 11.591 -7.835 1.00 0.00 O ATOM 0 H SER A 17 5.789 10.349 -4.026 1.00 0.00 H new ATOM 0 HA SER A 17 3.988 10.154 -6.375 1.00 0.00 H new ATOM 0 HB2 SER A 17 6.182 11.889 -6.039 1.00 0.00 H new ATOM 0 HB3 SER A 17 6.797 10.560 -7.001 1.00 0.00 H new ATOM 0 HG SER A 17 4.880 12.487 -7.634 1.00 0.00 H new ATOM 241 N ARG A 18 4.991 7.901 -6.971 1.00 0.00 N ATOM 242 CA ARG A 18 5.440 6.524 -7.133 1.00 0.00 C ATOM 243 C ARG A 18 6.962 6.464 -7.197 1.00 0.00 C ATOM 244 O ARG A 18 7.570 5.444 -6.873 1.00 0.00 O ATOM 245 CB ARG A 18 4.838 5.913 -8.399 1.00 0.00 C ATOM 246 CG ARG A 18 5.565 6.313 -9.673 1.00 0.00 C ATOM 247 CD ARG A 18 4.982 5.614 -10.890 1.00 0.00 C ATOM 248 NE ARG A 18 4.855 6.516 -12.031 1.00 0.00 N ATOM 249 CZ ARG A 18 5.093 6.153 -13.287 1.00 0.00 C ATOM 250 NH1 ARG A 18 5.468 4.911 -13.561 1.00 0.00 N ATOM 251 NH2 ARG A 18 4.955 7.032 -14.271 1.00 0.00 N ATOM 0 H ARG A 18 4.259 8.193 -7.619 1.00 0.00 H new ATOM 0 HA ARG A 18 5.103 5.949 -6.271 1.00 0.00 H new ATOM 0 HB2 ARG A 18 4.850 4.827 -8.309 1.00 0.00 H new ATOM 0 HB3 ARG A 18 3.793 6.215 -8.477 1.00 0.00 H new ATOM 0 HG2 ARG A 18 5.500 7.393 -9.806 1.00 0.00 H new ATOM 0 HG3 ARG A 18 6.623 6.066 -9.582 1.00 0.00 H new ATOM 0 HD2 ARG A 18 5.617 4.771 -11.163 1.00 0.00 H new ATOM 0 HD3 ARG A 18 4.003 5.207 -10.639 1.00 0.00 H new ATOM 0 HE ARG A 18 4.568 7.479 -11.854 1.00 0.00 H new ATOM 0 HH11 ARG A 18 5.574 4.232 -12.807 1.00 0.00 H new ATOM 0 HH12 ARG A 18 5.650 4.634 -14.526 1.00 0.00 H new ATOM 0 HH21 ARG A 18 4.666 7.988 -14.064 1.00 0.00 H new ATOM 0 HH22 ARG A 18 5.138 6.752 -15.235 1.00 0.00 H new ATOM 265 N ASP A 19 7.567 7.566 -7.624 1.00 0.00 N ATOM 266 CA ASP A 19 9.018 7.654 -7.744 1.00 0.00 C ATOM 267 C ASP A 19 9.713 7.775 -6.385 1.00 0.00 C ATOM 268 O ASP A 19 10.715 7.113 -6.140 1.00 0.00 O ATOM 269 CB ASP A 19 9.399 8.844 -8.624 1.00 0.00 C ATOM 270 CG ASP A 19 9.608 8.448 -10.072 1.00 0.00 C ATOM 271 OD1 ASP A 19 9.932 7.269 -10.325 1.00 0.00 O ATOM 272 OD2 ASP A 19 9.449 9.319 -10.954 1.00 0.00 O ATOM 0 H ASP A 19 7.072 8.416 -7.894 1.00 0.00 H new ATOM 0 HA ASP A 19 9.358 6.725 -8.203 1.00 0.00 H new ATOM 0 HB2 ASP A 19 8.616 9.600 -8.566 1.00 0.00 H new ATOM 0 HB3 ASP A 19 10.311 9.300 -8.239 1.00 0.00 H new ATOM 277 N LYS A 20 9.202 8.646 -5.519 1.00 0.00 N ATOM 278 CA LYS A 20 9.809 8.870 -4.205 1.00 0.00 C ATOM 279 C LYS A 20 9.475 7.769 -3.203 1.00 0.00 C ATOM 280 O LYS A 20 10.296 7.430 -2.336 1.00 0.00 O ATOM 281 CB LYS A 20 9.344 10.212 -3.641 1.00 0.00 C ATOM 282 CG LYS A 20 9.451 11.358 -4.631 1.00 0.00 C ATOM 283 CD LYS A 20 8.183 11.494 -5.456 1.00 0.00 C ATOM 284 CE LYS A 20 8.497 11.821 -6.907 1.00 0.00 C ATOM 285 NZ LYS A 20 7.565 12.841 -7.461 1.00 0.00 N ATOM 0 H LYS A 20 8.371 9.209 -5.701 1.00 0.00 H new ATOM 0 HA LYS A 20 10.889 8.866 -4.353 1.00 0.00 H new ATOM 0 HB2 LYS A 20 8.308 10.120 -3.315 1.00 0.00 H new ATOM 0 HB3 LYS A 20 9.936 10.450 -2.757 1.00 0.00 H new ATOM 0 HG2 LYS A 20 9.640 12.288 -4.095 1.00 0.00 H new ATOM 0 HG3 LYS A 20 10.302 11.192 -5.292 1.00 0.00 H new ATOM 0 HD2 LYS A 20 7.613 10.566 -5.406 1.00 0.00 H new ATOM 0 HD3 LYS A 20 7.554 12.277 -5.033 1.00 0.00 H new ATOM 0 HE2 LYS A 20 9.521 12.186 -6.983 1.00 0.00 H new ATOM 0 HE3 LYS A 20 8.437 10.912 -7.505 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 8.099 13.524 -8.035 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 6.851 12.373 -8.055 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 7.093 13.340 -6.680 1.00 0.00 H new ATOM 299 N ALA A 21 8.257 7.245 -3.295 1.00 0.00 N ATOM 300 CA ALA A 21 7.803 6.227 -2.359 1.00 0.00 C ATOM 301 C ALA A 21 8.821 5.108 -2.200 1.00 0.00 C ATOM 302 O ALA A 21 9.123 4.679 -1.082 1.00 0.00 O ATOM 303 CB ALA A 21 6.452 5.672 -2.771 1.00 0.00 C ATOM 0 H ALA A 21 7.572 7.507 -4.004 1.00 0.00 H new ATOM 0 HA ALA A 21 7.694 6.709 -1.388 1.00 0.00 H new ATOM 0 HB1 ALA A 21 6.136 4.913 -2.055 1.00 0.00 H new ATOM 0 HB2 ALA A 21 5.719 6.478 -2.793 1.00 0.00 H new ATOM 0 HB3 ALA A 21 6.529 5.225 -3.762 1.00 0.00 H new ATOM 309 N GLU A 22 9.363 4.640 -3.306 1.00 0.00 N ATOM 310 CA GLU A 22 10.349 3.579 -3.249 1.00 0.00 C ATOM 311 C GLU A 22 11.600 4.052 -2.510 1.00 0.00 C ATOM 312 O GLU A 22 12.084 3.384 -1.587 1.00 0.00 O ATOM 313 CB GLU A 22 10.703 3.101 -4.658 1.00 0.00 C ATOM 314 CG GLU A 22 9.563 2.385 -5.362 1.00 0.00 C ATOM 315 CD GLU A 22 10.048 1.282 -6.282 1.00 0.00 C ATOM 316 OE1 GLU A 22 10.964 0.534 -5.881 1.00 0.00 O ATOM 317 OE2 GLU A 22 9.511 1.165 -7.404 1.00 0.00 O ATOM 0 H GLU A 22 9.141 4.972 -4.245 1.00 0.00 H new ATOM 0 HA GLU A 22 9.923 2.739 -2.700 1.00 0.00 H new ATOM 0 HB2 GLU A 22 11.008 3.959 -5.258 1.00 0.00 H new ATOM 0 HB3 GLU A 22 11.561 2.431 -4.601 1.00 0.00 H new ATOM 0 HG2 GLU A 22 8.889 1.962 -4.617 1.00 0.00 H new ATOM 0 HG3 GLU A 22 8.986 3.108 -5.939 1.00 0.00 H new ATOM 324 N LYS A 23 12.103 5.223 -2.900 1.00 0.00 N ATOM 325 CA LYS A 23 13.276 5.794 -2.257 1.00 0.00 C ATOM 326 C LYS A 23 13.000 5.925 -0.775 1.00 0.00 C ATOM 327 O LYS A 23 13.782 5.471 0.061 1.00 0.00 O ATOM 328 CB LYS A 23 13.623 7.163 -2.852 1.00 0.00 C ATOM 329 CG LYS A 23 12.706 7.596 -3.984 1.00 0.00 C ATOM 330 CD LYS A 23 13.060 6.897 -5.286 1.00 0.00 C ATOM 331 CE LYS A 23 12.205 5.660 -5.502 1.00 0.00 C ATOM 332 NZ LYS A 23 12.971 4.406 -5.259 1.00 0.00 N ATOM 0 H LYS A 23 11.716 5.789 -3.655 1.00 0.00 H new ATOM 0 HA LYS A 23 14.129 5.137 -2.424 1.00 0.00 H new ATOM 0 HB2 LYS A 23 13.585 7.912 -2.061 1.00 0.00 H new ATOM 0 HB3 LYS A 23 14.649 7.139 -3.219 1.00 0.00 H new ATOM 0 HG2 LYS A 23 11.672 7.375 -3.721 1.00 0.00 H new ATOM 0 HG3 LYS A 23 12.777 8.675 -4.118 1.00 0.00 H new ATOM 0 HD2 LYS A 23 12.923 7.586 -6.119 1.00 0.00 H new ATOM 0 HD3 LYS A 23 14.113 6.616 -5.275 1.00 0.00 H new ATOM 0 HE2 LYS A 23 11.343 5.694 -4.836 1.00 0.00 H new ATOM 0 HE3 LYS A 23 11.820 5.658 -6.522 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 12.492 3.610 -5.727 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 13.932 4.506 -5.644 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 13.025 4.225 -4.236 1.00 0.00 H new ATOM 346 N LEU A 24 11.857 6.520 -0.458 1.00 0.00 N ATOM 347 CA LEU A 24 11.452 6.676 0.928 1.00 0.00 C ATOM 348 C LEU A 24 11.350 5.305 1.580 1.00 0.00 C ATOM 349 O LEU A 24 11.936 5.058 2.634 1.00 0.00 O ATOM 350 CB LEU A 24 10.108 7.382 1.001 1.00 0.00 C ATOM 351 CG LEU A 24 9.192 7.090 -0.179 1.00 0.00 C ATOM 352 CD1 LEU A 24 7.984 6.281 0.270 1.00 0.00 C ATOM 353 CD2 LEU A 24 8.773 8.390 -0.850 1.00 0.00 C ATOM 0 H LEU A 24 11.199 6.899 -1.139 1.00 0.00 H new ATOM 0 HA LEU A 24 12.194 7.276 1.455 1.00 0.00 H new ATOM 0 HB2 LEU A 24 9.604 7.087 1.921 1.00 0.00 H new ATOM 0 HB3 LEU A 24 10.276 8.457 1.060 1.00 0.00 H new ATOM 0 HG LEU A 24 9.735 6.492 -0.911 1.00 0.00 H new ATOM 0 HD11 LEU A 24 7.341 6.082 -0.587 1.00 0.00 H new ATOM 0 HD12 LEU A 24 8.318 5.337 0.700 1.00 0.00 H new ATOM 0 HD13 LEU A 24 7.427 6.844 1.019 1.00 0.00 H new ATOM 0 HD21 LEU A 24 8.118 8.170 -1.693 1.00 0.00 H new ATOM 0 HD22 LEU A 24 8.243 9.016 -0.132 1.00 0.00 H new ATOM 0 HD23 LEU A 24 9.658 8.917 -1.206 1.00 0.00 H new ATOM 365 N LEU A 25 10.610 4.406 0.929 1.00 0.00 N ATOM 366 CA LEU A 25 10.447 3.051 1.435 1.00 0.00 C ATOM 367 C LEU A 25 11.807 2.439 1.730 1.00 0.00 C ATOM 368 O LEU A 25 12.059 1.958 2.834 1.00 0.00 O ATOM 369 CB LEU A 25 9.708 2.178 0.420 1.00 0.00 C ATOM 370 CG LEU A 25 8.183 2.233 0.495 1.00 0.00 C ATOM 371 CD1 LEU A 25 7.595 2.348 -0.902 1.00 0.00 C ATOM 372 CD2 LEU A 25 7.639 1.002 1.208 1.00 0.00 C ATOM 0 H LEU A 25 10.118 4.594 0.055 1.00 0.00 H new ATOM 0 HA LEU A 25 9.860 3.099 2.352 1.00 0.00 H new ATOM 0 HB2 LEU A 25 10.016 2.476 -0.582 1.00 0.00 H new ATOM 0 HB3 LEU A 25 10.024 1.144 0.557 1.00 0.00 H new ATOM 0 HG LEU A 25 7.892 3.113 1.068 1.00 0.00 H new ATOM 0 HD11 LEU A 25 6.508 2.386 -0.837 1.00 0.00 H new ATOM 0 HD12 LEU A 25 7.962 3.257 -1.378 1.00 0.00 H new ATOM 0 HD13 LEU A 25 7.893 1.483 -1.494 1.00 0.00 H new ATOM 0 HD21 LEU A 25 6.551 1.058 1.252 1.00 0.00 H new ATOM 0 HD22 LEU A 25 7.934 0.106 0.663 1.00 0.00 H new ATOM 0 HD23 LEU A 25 8.042 0.960 2.220 1.00 0.00 H new ATOM 384 N LEU A 26 12.684 2.460 0.730 1.00 0.00 N ATOM 385 CA LEU A 26 14.021 1.905 0.889 1.00 0.00 C ATOM 386 C LEU A 26 14.791 2.642 1.980 1.00 0.00 C ATOM 387 O LEU A 26 15.768 2.125 2.522 1.00 0.00 O ATOM 388 CB LEU A 26 14.787 1.972 -0.429 1.00 0.00 C ATOM 389 CG LEU A 26 15.567 0.706 -0.779 1.00 0.00 C ATOM 390 CD1 LEU A 26 16.776 1.043 -1.638 1.00 0.00 C ATOM 391 CD2 LEU A 26 15.993 -0.019 0.489 1.00 0.00 C ATOM 0 H LEU A 26 12.493 2.853 -0.192 1.00 0.00 H new ATOM 0 HA LEU A 26 13.919 0.861 1.185 1.00 0.00 H new ATOM 0 HB2 LEU A 26 14.082 2.182 -1.233 1.00 0.00 H new ATOM 0 HB3 LEU A 26 15.482 2.811 -0.387 1.00 0.00 H new ATOM 0 HG LEU A 26 14.917 0.045 -1.352 1.00 0.00 H new ATOM 0 HD11 LEU A 26 17.319 0.128 -1.877 1.00 0.00 H new ATOM 0 HD12 LEU A 26 16.445 1.520 -2.560 1.00 0.00 H new ATOM 0 HD13 LEU A 26 17.432 1.722 -1.093 1.00 0.00 H new ATOM 0 HD21 LEU A 26 16.548 -0.919 0.224 1.00 0.00 H new ATOM 0 HD22 LEU A 26 16.627 0.636 1.087 1.00 0.00 H new ATOM 0 HD23 LEU A 26 15.110 -0.294 1.065 1.00 0.00 H new ATOM 403 N ASP A 27 14.344 3.852 2.298 1.00 0.00 N ATOM 404 CA ASP A 27 14.990 4.658 3.327 1.00 0.00 C ATOM 405 C ASP A 27 14.766 4.054 4.709 1.00 0.00 C ATOM 406 O ASP A 27 15.542 4.292 5.635 1.00 0.00 O ATOM 407 CB ASP A 27 14.457 6.091 3.290 1.00 0.00 C ATOM 408 CG ASP A 27 14.074 6.601 4.666 1.00 0.00 C ATOM 409 OD1 ASP A 27 13.037 6.151 5.198 1.00 0.00 O ATOM 410 OD2 ASP A 27 14.810 7.450 5.211 1.00 0.00 O ATOM 0 H ASP A 27 13.538 4.296 1.858 1.00 0.00 H new ATOM 0 HA ASP A 27 16.061 4.672 3.126 1.00 0.00 H new ATOM 0 HB2 ASP A 27 15.215 6.747 2.860 1.00 0.00 H new ATOM 0 HB3 ASP A 27 13.588 6.136 2.634 1.00 0.00 H new ATOM 415 N THR A 28 13.698 3.274 4.843 1.00 0.00 N ATOM 416 CA THR A 28 13.369 2.638 6.113 1.00 0.00 C ATOM 417 C THR A 28 14.072 1.290 6.249 1.00 0.00 C ATOM 418 O THR A 28 14.540 0.931 7.330 1.00 0.00 O ATOM 419 CB THR A 28 11.856 2.452 6.237 1.00 0.00 C ATOM 420 OG1 THR A 28 11.480 2.291 7.594 1.00 0.00 O ATOM 421 CG2 THR A 28 11.331 1.257 5.471 1.00 0.00 C ATOM 0 H THR A 28 13.045 3.067 4.087 1.00 0.00 H new ATOM 0 HA THR A 28 13.716 3.289 6.915 1.00 0.00 H new ATOM 0 HB THR A 28 11.420 3.355 5.809 1.00 0.00 H new ATOM 0 HG1 THR A 28 12.189 2.641 8.174 1.00 0.00 H new ATOM 0 HG21 THR A 28 10.251 1.186 5.603 1.00 0.00 H new ATOM 0 HG22 THR A 28 11.560 1.375 4.412 1.00 0.00 H new ATOM 0 HG23 THR A 28 11.803 0.349 5.845 1.00 0.00 H new ATOM 429 N GLY A 29 14.142 0.549 5.149 1.00 0.00 N ATOM 430 CA GLY A 29 14.790 -0.751 5.171 1.00 0.00 C ATOM 431 C GLY A 29 13.988 -1.781 5.942 1.00 0.00 C ATOM 432 O GLY A 29 14.370 -2.178 7.043 1.00 0.00 O ATOM 0 H GLY A 29 13.762 0.824 4.243 1.00 0.00 H new ATOM 0 HA2 GLY A 29 14.936 -1.099 4.148 1.00 0.00 H new ATOM 0 HA3 GLY A 29 15.779 -0.654 5.619 1.00 0.00 H new ATOM 436 N LYS A 30 12.871 -2.209 5.364 1.00 0.00 N ATOM 437 CA LYS A 30 12.006 -3.195 6.002 1.00 0.00 C ATOM 438 C LYS A 30 11.556 -4.263 5.019 1.00 0.00 C ATOM 439 O LYS A 30 11.390 -3.997 3.829 1.00 0.00 O ATOM 440 CB LYS A 30 10.771 -2.517 6.590 1.00 0.00 C ATOM 441 CG LYS A 30 11.010 -1.862 7.934 1.00 0.00 C ATOM 442 CD LYS A 30 11.721 -0.527 7.793 1.00 0.00 C ATOM 443 CE LYS A 30 12.208 -0.014 9.138 1.00 0.00 C ATOM 444 NZ LYS A 30 11.218 0.895 9.777 1.00 0.00 N ATOM 0 H LYS A 30 12.543 -1.888 4.453 1.00 0.00 H new ATOM 0 HA LYS A 30 12.586 -3.668 6.794 1.00 0.00 H new ATOM 0 HB2 LYS A 30 10.414 -1.763 5.888 1.00 0.00 H new ATOM 0 HB3 LYS A 30 9.977 -3.257 6.694 1.00 0.00 H new ATOM 0 HG2 LYS A 30 10.056 -1.714 8.441 1.00 0.00 H new ATOM 0 HG3 LYS A 30 11.605 -2.526 8.561 1.00 0.00 H new ATOM 0 HD2 LYS A 30 12.567 -0.634 7.114 1.00 0.00 H new ATOM 0 HD3 LYS A 30 11.045 0.202 7.347 1.00 0.00 H new ATOM 0 HE2 LYS A 30 12.405 -0.858 9.799 1.00 0.00 H new ATOM 0 HE3 LYS A 30 13.152 0.514 9.005 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 11.698 1.490 10.482 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 10.783 1.500 9.051 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 10.480 0.331 10.245 1.00 0.00 H new ATOM 458 N GLU A 31 11.327 -5.468 5.530 1.00 0.00 N ATOM 459 CA GLU A 31 10.857 -6.559 4.695 1.00 0.00 C ATOM 460 C GLU A 31 9.346 -6.457 4.543 1.00 0.00 C ATOM 461 O GLU A 31 8.597 -6.703 5.488 1.00 0.00 O ATOM 462 CB GLU A 31 11.238 -7.908 5.308 1.00 0.00 C ATOM 463 CG GLU A 31 11.213 -9.057 4.313 1.00 0.00 C ATOM 464 CD GLU A 31 12.585 -9.660 4.085 1.00 0.00 C ATOM 465 OE1 GLU A 31 13.581 -8.908 4.140 1.00 0.00 O ATOM 466 OE2 GLU A 31 12.664 -10.885 3.852 1.00 0.00 O ATOM 0 H GLU A 31 11.459 -5.710 6.512 1.00 0.00 H new ATOM 0 HA GLU A 31 11.327 -6.488 3.714 1.00 0.00 H new ATOM 0 HB2 GLU A 31 12.236 -7.833 5.739 1.00 0.00 H new ATOM 0 HB3 GLU A 31 10.554 -8.132 6.126 1.00 0.00 H new ATOM 0 HG2 GLU A 31 10.535 -9.831 4.674 1.00 0.00 H new ATOM 0 HG3 GLU A 31 10.814 -8.702 3.363 1.00 0.00 H new ATOM 473 N GLY A 32 8.907 -6.071 3.354 1.00 0.00 N ATOM 474 CA GLY A 32 7.494 -5.917 3.106 1.00 0.00 C ATOM 475 C GLY A 32 7.028 -4.506 3.397 1.00 0.00 C ATOM 476 O GLY A 32 5.827 -4.241 3.448 1.00 0.00 O ATOM 0 H GLY A 32 9.508 -5.862 2.557 1.00 0.00 H new ATOM 0 HA2 GLY A 32 7.277 -6.166 2.067 1.00 0.00 H new ATOM 0 HA3 GLY A 32 6.937 -6.620 3.725 1.00 0.00 H new ATOM 480 N ALA A 33 7.982 -3.592 3.586 1.00 0.00 N ATOM 481 CA ALA A 33 7.649 -2.209 3.865 1.00 0.00 C ATOM 482 C ALA A 33 6.408 -1.828 3.096 1.00 0.00 C ATOM 483 O ALA A 33 6.281 -2.148 1.914 1.00 0.00 O ATOM 484 CB ALA A 33 8.804 -1.292 3.514 1.00 0.00 C ATOM 0 H ALA A 33 8.982 -3.790 3.550 1.00 0.00 H new ATOM 0 HA ALA A 33 7.456 -2.099 4.932 1.00 0.00 H new ATOM 0 HB1 ALA A 33 8.529 -0.260 3.733 1.00 0.00 H new ATOM 0 HB2 ALA A 33 9.679 -1.567 4.103 1.00 0.00 H new ATOM 0 HB3 ALA A 33 9.036 -1.389 2.453 1.00 0.00 H new ATOM 490 N PHE A 34 5.486 -1.172 3.776 1.00 0.00 N ATOM 491 CA PHE A 34 4.233 -0.778 3.157 1.00 0.00 C ATOM 492 C PHE A 34 4.022 0.721 3.166 1.00 0.00 C ATOM 493 O PHE A 34 4.457 1.424 4.071 1.00 0.00 O ATOM 494 CB PHE A 34 3.065 -1.437 3.867 1.00 0.00 C ATOM 495 CG PHE A 34 1.764 -0.732 3.589 1.00 0.00 C ATOM 496 CD1 PHE A 34 1.345 -0.530 2.287 1.00 0.00 C ATOM 497 CD2 PHE A 34 0.969 -0.256 4.613 1.00 0.00 C ATOM 498 CE1 PHE A 34 0.165 0.130 2.016 1.00 0.00 C ATOM 499 CE2 PHE A 34 -0.198 0.400 4.343 1.00 0.00 C ATOM 500 CZ PHE A 34 -0.606 0.598 3.049 1.00 0.00 C ATOM 0 H PHE A 34 5.580 -0.901 4.755 1.00 0.00 H new ATOM 0 HA PHE A 34 4.286 -1.106 2.119 1.00 0.00 H new ATOM 0 HB2 PHE A 34 2.988 -2.477 3.550 1.00 0.00 H new ATOM 0 HB3 PHE A 34 3.251 -1.444 4.941 1.00 0.00 H new ATOM 0 HD1 PHE A 34 1.951 -0.894 1.470 1.00 0.00 H new ATOM 0 HD2 PHE A 34 1.273 -0.404 5.639 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -0.151 0.278 0.994 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -0.806 0.767 5.157 1.00 0.00 H new ATOM 0 HZ PHE A 34 -1.529 1.120 2.844 1.00 0.00 H new ATOM 510 N MET A 35 3.328 1.195 2.149 1.00 0.00 N ATOM 511 CA MET A 35 3.021 2.605 2.028 1.00 0.00 C ATOM 512 C MET A 35 1.848 2.807 1.086 1.00 0.00 C ATOM 513 O MET A 35 1.478 1.897 0.347 1.00 0.00 O ATOM 514 CB MET A 35 4.238 3.364 1.522 1.00 0.00 C ATOM 515 CG MET A 35 3.935 4.787 1.111 1.00 0.00 C ATOM 516 SD MET A 35 5.389 5.631 0.493 1.00 0.00 S ATOM 517 CE MET A 35 6.233 5.917 2.044 1.00 0.00 C ATOM 0 H MET A 35 2.964 0.618 1.390 1.00 0.00 H new ATOM 0 HA MET A 35 2.750 2.991 3.011 1.00 0.00 H new ATOM 0 HB2 MET A 35 5.000 3.374 2.302 1.00 0.00 H new ATOM 0 HB3 MET A 35 4.660 2.831 0.670 1.00 0.00 H new ATOM 0 HG2 MET A 35 3.162 4.786 0.342 1.00 0.00 H new ATOM 0 HG3 MET A 35 3.534 5.333 1.965 1.00 0.00 H new ATOM 0 HE1 MET A 35 6.574 6.951 2.087 1.00 0.00 H new ATOM 0 HE2 MET A 35 5.549 5.726 2.871 1.00 0.00 H new ATOM 0 HE3 MET A 35 7.090 5.248 2.120 1.00 0.00 H new ATOM 527 N VAL A 36 1.269 3.998 1.106 1.00 0.00 N ATOM 528 CA VAL A 36 0.141 4.296 0.234 1.00 0.00 C ATOM 529 C VAL A 36 0.218 5.708 -0.307 1.00 0.00 C ATOM 530 O VAL A 36 0.772 6.602 0.328 1.00 0.00 O ATOM 531 CB VAL A 36 -1.216 4.093 0.934 1.00 0.00 C ATOM 532 CG1 VAL A 36 -2.361 4.437 -0.005 1.00 0.00 C ATOM 533 CG2 VAL A 36 -1.340 2.663 1.431 1.00 0.00 C ATOM 0 H VAL A 36 1.557 4.768 1.710 1.00 0.00 H new ATOM 0 HA VAL A 36 0.207 3.588 -0.592 1.00 0.00 H new ATOM 0 HB VAL A 36 -1.269 4.764 1.791 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -3.311 4.287 0.509 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -2.277 5.479 -0.315 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -2.318 3.793 -0.883 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -2.303 2.531 1.924 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -1.268 1.977 0.587 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -0.538 2.453 2.139 1.00 0.00 H new ATOM 543 N ARG A 37 -0.330 5.897 -1.496 1.00 0.00 N ATOM 544 CA ARG A 37 -0.316 7.197 -2.137 1.00 0.00 C ATOM 545 C ARG A 37 -1.577 7.407 -2.963 1.00 0.00 C ATOM 546 O ARG A 37 -1.937 6.573 -3.793 1.00 0.00 O ATOM 547 CB ARG A 37 0.931 7.318 -3.008 1.00 0.00 C ATOM 548 CG ARG A 37 0.666 7.169 -4.493 1.00 0.00 C ATOM 549 CD ARG A 37 1.757 6.344 -5.150 1.00 0.00 C ATOM 550 NE ARG A 37 1.981 6.738 -6.539 1.00 0.00 N ATOM 551 CZ ARG A 37 2.174 7.995 -6.928 1.00 0.00 C ATOM 552 NH1 ARG A 37 2.211 8.972 -6.032 1.00 0.00 N ATOM 553 NH2 ARG A 37 2.342 8.274 -8.213 1.00 0.00 N ATOM 0 H ARG A 37 -0.790 5.164 -2.036 1.00 0.00 H new ATOM 0 HA ARG A 37 -0.292 7.972 -1.371 1.00 0.00 H new ATOM 0 HB2 ARG A 37 1.394 8.288 -2.828 1.00 0.00 H new ATOM 0 HB3 ARG A 37 1.651 6.559 -2.700 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -0.302 6.692 -4.649 1.00 0.00 H new ATOM 0 HG3 ARG A 37 0.616 8.153 -4.959 1.00 0.00 H new ATOM 0 HD2 ARG A 37 2.684 6.456 -4.588 1.00 0.00 H new ATOM 0 HD3 ARG A 37 1.486 5.289 -5.112 1.00 0.00 H new ATOM 0 HE ARG A 37 1.990 6.007 -7.251 1.00 0.00 H new ATOM 0 HH11 ARG A 37 2.091 8.760 -5.041 1.00 0.00 H new ATOM 0 HH12 ARG A 37 2.359 9.935 -6.333 1.00 0.00 H new ATOM 0 HH21 ARG A 37 2.323 7.524 -8.904 1.00 0.00 H new ATOM 0 HH22 ARG A 37 2.490 9.238 -8.510 1.00 0.00 H new ATOM 567 N ASP A 38 -2.255 8.522 -2.717 1.00 0.00 N ATOM 568 CA ASP A 38 -3.484 8.835 -3.429 1.00 0.00 C ATOM 569 C ASP A 38 -3.243 8.919 -4.930 1.00 0.00 C ATOM 570 O ASP A 38 -2.163 9.304 -5.377 1.00 0.00 O ATOM 571 CB ASP A 38 -4.079 10.148 -2.917 1.00 0.00 C ATOM 572 CG ASP A 38 -5.049 10.766 -3.904 1.00 0.00 C ATOM 573 OD1 ASP A 38 -4.600 11.551 -4.766 1.00 0.00 O ATOM 574 OD2 ASP A 38 -6.258 10.466 -3.816 1.00 0.00 O ATOM 0 H ASP A 38 -1.973 9.222 -2.031 1.00 0.00 H new ATOM 0 HA ASP A 38 -4.193 8.029 -3.242 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -4.592 9.967 -1.972 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -3.274 10.854 -2.713 1.00 0.00 H new ATOM 579 N SER A 39 -4.257 8.547 -5.702 1.00 0.00 N ATOM 580 CA SER A 39 -4.161 8.570 -7.154 1.00 0.00 C ATOM 581 C SER A 39 -5.470 9.037 -7.782 1.00 0.00 C ATOM 582 O SER A 39 -6.552 8.743 -7.274 1.00 0.00 O ATOM 583 CB SER A 39 -3.804 7.178 -7.673 1.00 0.00 C ATOM 584 OG SER A 39 -4.132 7.044 -9.045 1.00 0.00 O ATOM 0 H SER A 39 -5.157 8.225 -5.344 1.00 0.00 H new ATOM 0 HA SER A 39 -3.377 9.274 -7.433 1.00 0.00 H new ATOM 0 HB2 SER A 39 -2.739 6.996 -7.531 1.00 0.00 H new ATOM 0 HB3 SER A 39 -4.336 6.423 -7.094 1.00 0.00 H new ATOM 0 HG SER A 39 -4.180 6.093 -9.278 1.00 0.00 H new ATOM 590 N ARG A 40 -5.366 9.756 -8.896 1.00 0.00 N ATOM 591 CA ARG A 40 -6.546 10.250 -9.596 1.00 0.00 C ATOM 592 C ARG A 40 -7.451 9.088 -9.989 1.00 0.00 C ATOM 593 O ARG A 40 -8.574 9.286 -10.452 1.00 0.00 O ATOM 594 CB ARG A 40 -6.136 11.040 -10.840 1.00 0.00 C ATOM 595 CG ARG A 40 -6.530 12.507 -10.786 1.00 0.00 C ATOM 596 CD ARG A 40 -5.310 13.413 -10.821 1.00 0.00 C ATOM 597 NE ARG A 40 -5.483 14.597 -9.985 1.00 0.00 N ATOM 598 CZ ARG A 40 -5.363 14.588 -8.661 1.00 0.00 C ATOM 599 NH1 ARG A 40 -5.071 13.460 -8.028 1.00 0.00 N ATOM 600 NH2 ARG A 40 -5.535 15.706 -7.970 1.00 0.00 N ATOM 0 H ARG A 40 -4.479 10.009 -9.332 1.00 0.00 H new ATOM 0 HA ARG A 40 -7.094 10.913 -8.926 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -5.056 10.967 -10.967 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -6.592 10.582 -11.718 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -7.182 12.741 -11.627 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -7.101 12.698 -9.877 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -4.435 12.856 -10.484 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -5.116 13.720 -11.849 1.00 0.00 H new ATOM 0 HE ARG A 40 -5.709 15.481 -10.442 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -4.938 12.598 -8.557 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -4.979 13.454 -7.012 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -5.760 16.575 -8.454 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -5.443 15.697 -6.954 1.00 0.00 H new ATOM 614 N THR A 41 -6.945 7.875 -9.796 1.00 0.00 N ATOM 615 CA THR A 41 -7.688 6.663 -10.119 1.00 0.00 C ATOM 616 C THR A 41 -9.157 6.799 -9.717 1.00 0.00 C ATOM 617 O THR A 41 -9.580 7.843 -9.222 1.00 0.00 O ATOM 618 CB THR A 41 -7.043 5.467 -9.414 1.00 0.00 C ATOM 619 OG1 THR A 41 -6.747 4.436 -10.340 1.00 0.00 O ATOM 620 CG2 THR A 41 -7.900 4.872 -8.318 1.00 0.00 C ATOM 0 H THR A 41 -6.015 7.705 -9.414 1.00 0.00 H new ATOM 0 HA THR A 41 -7.654 6.504 -11.197 1.00 0.00 H new ATOM 0 HB THR A 41 -6.135 5.863 -8.960 1.00 0.00 H new ATOM 0 HG1 THR A 41 -6.334 3.682 -9.869 1.00 0.00 H new ATOM 0 HG21 THR A 41 -7.378 4.030 -7.865 1.00 0.00 H new ATOM 0 HG22 THR A 41 -8.096 5.629 -7.558 1.00 0.00 H new ATOM 0 HG23 THR A 41 -8.844 4.528 -8.740 1.00 0.00 H new ATOM 628 N PRO A 42 -9.958 5.742 -9.934 1.00 0.00 N ATOM 629 CA PRO A 42 -11.389 5.734 -9.607 1.00 0.00 C ATOM 630 C PRO A 42 -11.706 6.267 -8.208 1.00 0.00 C ATOM 631 O PRO A 42 -12.856 6.216 -7.771 1.00 0.00 O ATOM 632 CB PRO A 42 -11.786 4.252 -9.713 1.00 0.00 C ATOM 633 CG PRO A 42 -10.511 3.498 -9.914 1.00 0.00 C ATOM 634 CD PRO A 42 -9.545 4.468 -10.528 1.00 0.00 C ATOM 0 HA PRO A 42 -11.939 6.393 -10.279 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -12.298 3.920 -8.810 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -12.471 4.090 -10.545 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -10.131 3.116 -8.966 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -10.666 2.638 -10.565 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -8.512 4.222 -10.284 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -9.620 4.483 -11.615 1.00 0.00 H new ATOM 642 N GLY A 43 -10.700 6.787 -7.508 1.00 0.00 N ATOM 643 CA GLY A 43 -10.936 7.319 -6.177 1.00 0.00 C ATOM 644 C GLY A 43 -10.275 6.510 -5.081 1.00 0.00 C ATOM 645 O GLY A 43 -10.628 6.643 -3.909 1.00 0.00 O ATOM 0 H GLY A 43 -9.736 6.849 -7.835 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -10.569 8.344 -6.133 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -12.010 7.356 -5.994 1.00 0.00 H new ATOM 649 N THR A 44 -9.320 5.666 -5.451 1.00 0.00 N ATOM 650 CA THR A 44 -8.629 4.837 -4.472 1.00 0.00 C ATOM 651 C THR A 44 -7.307 5.459 -4.039 1.00 0.00 C ATOM 652 O THR A 44 -7.100 6.668 -4.151 1.00 0.00 O ATOM 653 CB THR A 44 -8.367 3.437 -5.028 1.00 0.00 C ATOM 654 OG1 THR A 44 -6.996 3.101 -4.910 1.00 0.00 O ATOM 655 CG2 THR A 44 -8.746 3.265 -6.482 1.00 0.00 C ATOM 0 H THR A 44 -9.008 5.538 -6.414 1.00 0.00 H new ATOM 0 HA THR A 44 -9.282 4.766 -3.603 1.00 0.00 H new ATOM 0 HB THR A 44 -9.001 2.781 -4.431 1.00 0.00 H new ATOM 0 HG1 THR A 44 -6.807 2.305 -5.450 1.00 0.00 H new ATOM 0 HG21 THR A 44 -8.528 2.244 -6.797 1.00 0.00 H new ATOM 0 HG22 THR A 44 -9.811 3.464 -6.606 1.00 0.00 H new ATOM 0 HG23 THR A 44 -8.173 3.963 -7.092 1.00 0.00 H new ATOM 663 N TYR A 45 -6.420 4.605 -3.546 1.00 0.00 N ATOM 664 CA TYR A 45 -5.105 5.018 -3.085 1.00 0.00 C ATOM 665 C TYR A 45 -4.045 4.035 -3.567 1.00 0.00 C ATOM 666 O TYR A 45 -4.352 2.891 -3.907 1.00 0.00 O ATOM 667 CB TYR A 45 -5.064 5.085 -1.557 1.00 0.00 C ATOM 668 CG TYR A 45 -6.222 5.821 -0.935 1.00 0.00 C ATOM 669 CD1 TYR A 45 -7.515 5.346 -1.073 1.00 0.00 C ATOM 670 CD2 TYR A 45 -6.021 6.980 -0.199 1.00 0.00 C ATOM 671 CE1 TYR A 45 -8.583 6.004 -0.496 1.00 0.00 C ATOM 672 CE2 TYR A 45 -7.081 7.647 0.382 1.00 0.00 C ATOM 673 CZ TYR A 45 -8.361 7.155 0.232 1.00 0.00 C ATOM 674 OH TYR A 45 -9.422 7.815 0.809 1.00 0.00 O ATOM 0 H TYR A 45 -6.594 3.604 -3.455 1.00 0.00 H new ATOM 0 HA TYR A 45 -4.901 6.008 -3.493 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -5.040 4.070 -1.161 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -4.136 5.568 -1.251 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -7.691 4.445 -1.642 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -5.020 7.366 -0.079 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -9.586 5.620 -0.614 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -6.909 8.549 0.951 1.00 0.00 H new ATOM 0 HH TYR A 45 -9.095 8.606 1.287 1.00 0.00 H new ATOM 684 N THR A 46 -2.798 4.474 -3.585 1.00 0.00 N ATOM 685 CA THR A 46 -1.702 3.614 -4.004 1.00 0.00 C ATOM 686 C THR A 46 -1.010 3.037 -2.774 1.00 0.00 C ATOM 687 O THR A 46 -1.028 3.653 -1.713 1.00 0.00 O ATOM 688 CB THR A 46 -0.706 4.393 -4.854 1.00 0.00 C ATOM 689 OG1 THR A 46 -1.376 5.142 -5.853 1.00 0.00 O ATOM 690 CG2 THR A 46 0.296 3.497 -5.544 1.00 0.00 C ATOM 0 H THR A 46 -2.519 5.417 -3.316 1.00 0.00 H new ATOM 0 HA THR A 46 -2.101 2.799 -4.608 1.00 0.00 H new ATOM 0 HB THR A 46 -0.177 5.051 -4.164 1.00 0.00 H new ATOM 0 HG1 THR A 46 -1.939 5.823 -5.429 1.00 0.00 H new ATOM 0 HG21 THR A 46 0.981 4.105 -6.136 1.00 0.00 H new ATOM 0 HG22 THR A 46 0.860 2.938 -4.797 1.00 0.00 H new ATOM 0 HG23 THR A 46 -0.229 2.801 -6.198 1.00 0.00 H new ATOM 698 N VAL A 47 -0.415 1.853 -2.907 1.00 0.00 N ATOM 699 CA VAL A 47 0.259 1.216 -1.778 1.00 0.00 C ATOM 700 C VAL A 47 1.692 0.827 -2.106 1.00 0.00 C ATOM 701 O VAL A 47 1.930 -0.087 -2.892 1.00 0.00 O ATOM 702 CB VAL A 47 -0.474 -0.057 -1.307 1.00 0.00 C ATOM 703 CG1 VAL A 47 0.432 -0.878 -0.395 1.00 0.00 C ATOM 704 CG2 VAL A 47 -1.775 0.296 -0.604 1.00 0.00 C ATOM 0 H VAL A 47 -0.386 1.320 -3.776 1.00 0.00 H new ATOM 0 HA VAL A 47 0.252 1.964 -0.986 1.00 0.00 H new ATOM 0 HB VAL A 47 -0.721 -0.659 -2.182 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -0.096 -1.774 -0.069 1.00 0.00 H new ATOM 0 HG12 VAL A 47 1.332 -1.165 -0.939 1.00 0.00 H new ATOM 0 HG13 VAL A 47 0.708 -0.283 0.475 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -2.274 -0.618 -0.281 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -1.562 0.919 0.264 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -2.424 0.840 -1.291 1.00 0.00 H new ATOM 714 N SER A 48 2.645 1.491 -1.467 1.00 0.00 N ATOM 715 CA SER A 48 4.046 1.162 -1.672 1.00 0.00 C ATOM 716 C SER A 48 4.425 0.004 -0.756 1.00 0.00 C ATOM 717 O SER A 48 4.201 0.063 0.457 1.00 0.00 O ATOM 718 CB SER A 48 4.967 2.359 -1.401 1.00 0.00 C ATOM 719 OG SER A 48 5.835 2.590 -2.498 1.00 0.00 O ATOM 0 H SER A 48 2.476 2.252 -0.810 1.00 0.00 H new ATOM 0 HA SER A 48 4.177 0.881 -2.717 1.00 0.00 H new ATOM 0 HB2 SER A 48 4.367 3.249 -1.214 1.00 0.00 H new ATOM 0 HB3 SER A 48 5.554 2.175 -0.501 1.00 0.00 H new ATOM 0 HG SER A 48 6.150 1.732 -2.852 1.00 0.00 H new ATOM 725 N VAL A 49 4.983 -1.050 -1.341 1.00 0.00 N ATOM 726 CA VAL A 49 5.385 -2.226 -0.580 1.00 0.00 C ATOM 727 C VAL A 49 6.777 -2.683 -0.997 1.00 0.00 C ATOM 728 O VAL A 49 7.018 -2.957 -2.173 1.00 0.00 O ATOM 729 CB VAL A 49 4.394 -3.389 -0.774 1.00 0.00 C ATOM 730 CG1 VAL A 49 2.975 -2.939 -0.463 1.00 0.00 C ATOM 731 CG2 VAL A 49 4.489 -3.942 -2.188 1.00 0.00 C ATOM 0 H VAL A 49 5.167 -1.114 -2.342 1.00 0.00 H new ATOM 0 HA VAL A 49 5.391 -1.943 0.473 1.00 0.00 H new ATOM 0 HB VAL A 49 4.658 -4.186 -0.079 1.00 0.00 H new ATOM 0 HG11 VAL A 49 2.289 -3.774 -0.606 1.00 0.00 H new ATOM 0 HG12 VAL A 49 2.920 -2.597 0.570 1.00 0.00 H new ATOM 0 HG13 VAL A 49 2.697 -2.123 -1.131 1.00 0.00 H new ATOM 0 HG21 VAL A 49 3.782 -4.763 -2.306 1.00 0.00 H new ATOM 0 HG22 VAL A 49 4.253 -3.154 -2.903 1.00 0.00 H new ATOM 0 HG23 VAL A 49 5.500 -4.306 -2.369 1.00 0.00 H new ATOM 741 N PHE A 50 7.698 -2.754 -0.040 1.00 0.00 N ATOM 742 CA PHE A 50 9.064 -3.168 -0.352 1.00 0.00 C ATOM 743 C PHE A 50 9.677 -4.040 0.745 1.00 0.00 C ATOM 744 O PHE A 50 9.420 -3.848 1.940 1.00 0.00 O ATOM 745 CB PHE A 50 9.936 -1.940 -0.624 1.00 0.00 C ATOM 746 CG PHE A 50 10.861 -1.571 0.499 1.00 0.00 C ATOM 747 CD1 PHE A 50 10.428 -0.751 1.528 1.00 0.00 C ATOM 748 CD2 PHE A 50 12.169 -2.028 0.516 1.00 0.00 C ATOM 749 CE1 PHE A 50 11.281 -0.395 2.554 1.00 0.00 C ATOM 750 CE2 PHE A 50 13.026 -1.678 1.541 1.00 0.00 C ATOM 751 CZ PHE A 50 12.582 -0.859 2.560 1.00 0.00 C ATOM 0 H PHE A 50 7.529 -2.535 0.942 1.00 0.00 H new ATOM 0 HA PHE A 50 9.022 -3.783 -1.251 1.00 0.00 H new ATOM 0 HB2 PHE A 50 10.528 -2.122 -1.521 1.00 0.00 H new ATOM 0 HB3 PHE A 50 9.288 -1.090 -0.838 1.00 0.00 H new ATOM 0 HD1 PHE A 50 9.412 -0.386 1.528 1.00 0.00 H new ATOM 0 HD2 PHE A 50 12.522 -2.665 -0.281 1.00 0.00 H new ATOM 0 HE1 PHE A 50 10.931 0.245 3.350 1.00 0.00 H new ATOM 0 HE2 PHE A 50 14.042 -2.044 1.545 1.00 0.00 H new ATOM 0 HZ PHE A 50 13.251 -0.581 3.361 1.00 0.00 H new ATOM 761 N THR A 51 10.488 -5.007 0.312 1.00 0.00 N ATOM 762 CA THR A 51 11.152 -5.934 1.228 1.00 0.00 C ATOM 763 C THR A 51 12.525 -6.304 0.747 1.00 0.00 C ATOM 764 O THR A 51 12.652 -7.186 -0.102 1.00 0.00 O ATOM 765 CB THR A 51 10.387 -7.241 1.284 1.00 0.00 C ATOM 766 OG1 THR A 51 11.266 -8.335 1.087 1.00 0.00 O ATOM 767 CG2 THR A 51 9.306 -7.337 0.234 1.00 0.00 C ATOM 0 H THR A 51 10.701 -5.168 -0.672 1.00 0.00 H new ATOM 0 HA THR A 51 11.199 -5.430 2.193 1.00 0.00 H new ATOM 0 HB THR A 51 9.924 -7.271 2.270 1.00 0.00 H new ATOM 0 HG1 THR A 51 11.611 -8.317 0.170 1.00 0.00 H new ATOM 0 HG21 THR A 51 8.794 -8.295 0.325 1.00 0.00 H new ATOM 0 HG22 THR A 51 8.589 -6.528 0.375 1.00 0.00 H new ATOM 0 HG23 THR A 51 9.753 -7.258 -0.757 1.00 0.00 H new ATOM 775 N LYS A 52 13.565 -5.704 1.285 1.00 0.00 N ATOM 776 CA LYS A 52 14.857 -6.113 0.853 1.00 0.00 C ATOM 777 C LYS A 52 14.828 -7.626 0.598 1.00 0.00 C ATOM 778 O LYS A 52 14.885 -8.452 1.510 1.00 0.00 O ATOM 779 CB LYS A 52 15.915 -5.769 1.904 1.00 0.00 C ATOM 780 CG LYS A 52 17.139 -6.668 1.851 1.00 0.00 C ATOM 781 CD LYS A 52 18.331 -5.950 1.239 1.00 0.00 C ATOM 782 CE LYS A 52 18.685 -4.694 2.019 1.00 0.00 C ATOM 783 NZ LYS A 52 18.066 -3.477 1.423 1.00 0.00 N ATOM 0 H LYS A 52 13.535 -4.966 1.989 1.00 0.00 H new ATOM 0 HA LYS A 52 15.120 -5.586 -0.064 1.00 0.00 H new ATOM 0 HB2 LYS A 52 16.228 -4.734 1.767 1.00 0.00 H new ATOM 0 HB3 LYS A 52 15.467 -5.838 2.895 1.00 0.00 H new ATOM 0 HG2 LYS A 52 17.391 -7.001 2.858 1.00 0.00 H new ATOM 0 HG3 LYS A 52 16.912 -7.560 1.268 1.00 0.00 H new ATOM 0 HD2 LYS A 52 19.190 -6.621 1.218 1.00 0.00 H new ATOM 0 HD3 LYS A 52 18.107 -5.687 0.205 1.00 0.00 H new ATOM 0 HE2 LYS A 52 18.352 -4.802 3.051 1.00 0.00 H new ATOM 0 HE3 LYS A 52 19.768 -4.575 2.044 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 18.739 -2.685 1.473 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 17.823 -3.662 0.429 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 17.204 -3.232 1.950 1.00 0.00 H new ATOM 797 N ALA A 53 14.777 -7.930 -0.691 1.00 0.00 N ATOM 798 CA ALA A 53 14.782 -9.292 -1.194 1.00 0.00 C ATOM 799 C ALA A 53 14.818 -9.328 -2.718 1.00 0.00 C ATOM 800 O ALA A 53 13.775 -9.354 -3.372 1.00 0.00 O ATOM 801 CB ALA A 53 13.566 -10.047 -0.677 1.00 0.00 C ATOM 0 H ALA A 53 14.730 -7.225 -1.426 1.00 0.00 H new ATOM 0 HA ALA A 53 15.687 -9.778 -0.830 1.00 0.00 H new ATOM 0 HB1 ALA A 53 13.581 -11.067 -1.061 1.00 0.00 H new ATOM 0 HB2 ALA A 53 13.588 -10.069 0.413 1.00 0.00 H new ATOM 0 HB3 ALA A 53 12.657 -9.546 -1.012 1.00 0.00 H new ATOM 807 N ILE A 54 16.024 -9.333 -3.276 1.00 0.00 N ATOM 808 CA ILE A 54 16.196 -9.370 -4.724 1.00 0.00 C ATOM 809 C ILE A 54 17.603 -9.827 -5.096 1.00 0.00 C ATOM 810 O ILE A 54 18.522 -9.015 -5.204 1.00 0.00 O ATOM 811 CB ILE A 54 15.934 -7.992 -5.361 1.00 0.00 C ATOM 812 CG1 ILE A 54 14.583 -7.440 -4.906 1.00 0.00 C ATOM 813 CG2 ILE A 54 15.985 -8.092 -6.878 1.00 0.00 C ATOM 814 CD1 ILE A 54 14.597 -6.888 -3.497 1.00 0.00 C ATOM 0 H ILE A 54 16.896 -9.312 -2.748 1.00 0.00 H new ATOM 0 HA ILE A 54 15.467 -10.083 -5.109 1.00 0.00 H new ATOM 0 HB ILE A 54 16.714 -7.305 -5.033 1.00 0.00 H new ATOM 0 HG12 ILE A 54 14.272 -6.653 -5.593 1.00 0.00 H new ATOM 0 HG13 ILE A 54 13.836 -8.232 -4.970 1.00 0.00 H new ATOM 0 HG21 ILE A 54 15.798 -7.111 -7.314 1.00 0.00 H new ATOM 0 HG22 ILE A 54 16.969 -8.445 -7.187 1.00 0.00 H new ATOM 0 HG23 ILE A 54 15.224 -8.793 -7.222 1.00 0.00 H new ATOM 0 HD11 ILE A 54 13.605 -6.514 -3.243 1.00 0.00 H new ATOM 0 HD12 ILE A 54 14.877 -7.678 -2.800 1.00 0.00 H new ATOM 0 HD13 ILE A 54 15.319 -6.074 -3.432 1.00 0.00 H new ATOM 826 N ILE A 55 17.764 -11.132 -5.289 1.00 0.00 N ATOM 827 CA ILE A 55 19.059 -11.697 -5.648 1.00 0.00 C ATOM 828 C ILE A 55 19.546 -11.153 -6.987 1.00 0.00 C ATOM 829 O ILE A 55 20.661 -11.445 -7.419 1.00 0.00 O ATOM 830 CB ILE A 55 19.000 -13.235 -5.724 1.00 0.00 C ATOM 831 CG1 ILE A 55 19.349 -13.848 -4.367 1.00 0.00 C ATOM 832 CG2 ILE A 55 19.941 -13.749 -6.803 1.00 0.00 C ATOM 833 CD1 ILE A 55 20.413 -14.921 -4.445 1.00 0.00 C ATOM 0 H ILE A 55 17.014 -11.818 -5.203 1.00 0.00 H new ATOM 0 HA ILE A 55 19.758 -11.405 -4.864 1.00 0.00 H new ATOM 0 HB ILE A 55 17.984 -13.533 -5.985 1.00 0.00 H new ATOM 0 HG12 ILE A 55 19.689 -13.058 -3.697 1.00 0.00 H new ATOM 0 HG13 ILE A 55 18.447 -14.273 -3.927 1.00 0.00 H new ATOM 0 HG21 ILE A 55 19.888 -14.837 -6.844 1.00 0.00 H new ATOM 0 HG22 ILE A 55 19.649 -13.335 -7.768 1.00 0.00 H new ATOM 0 HG23 ILE A 55 20.962 -13.444 -6.571 1.00 0.00 H new ATOM 0 HD11 ILE A 55 20.610 -15.311 -3.446 1.00 0.00 H new ATOM 0 HD12 ILE A 55 20.068 -15.730 -5.089 1.00 0.00 H new ATOM 0 HD13 ILE A 55 21.329 -14.496 -4.856 1.00 0.00 H new ATOM 845 N SER A 56 18.703 -10.360 -7.640 1.00 0.00 N ATOM 846 CA SER A 56 19.048 -9.775 -8.930 1.00 0.00 C ATOM 847 C SER A 56 19.582 -8.356 -8.761 1.00 0.00 C ATOM 848 O SER A 56 20.709 -8.056 -9.153 1.00 0.00 O ATOM 849 CB SER A 56 17.827 -9.766 -9.852 1.00 0.00 C ATOM 850 OG SER A 56 16.654 -10.137 -9.150 1.00 0.00 O ATOM 0 H SER A 56 17.776 -10.108 -7.297 1.00 0.00 H new ATOM 0 HA SER A 56 19.831 -10.386 -9.379 1.00 0.00 H new ATOM 0 HB2 SER A 56 17.699 -8.772 -10.281 1.00 0.00 H new ATOM 0 HB3 SER A 56 17.990 -10.453 -10.683 1.00 0.00 H new ATOM 0 HG SER A 56 15.888 -10.122 -9.761 1.00 0.00 H new ATOM 856 N GLU A 57 18.764 -7.487 -8.175 1.00 0.00 N ATOM 857 CA GLU A 57 19.155 -6.099 -7.955 1.00 0.00 C ATOM 858 C GLU A 57 18.312 -5.463 -6.853 1.00 0.00 C ATOM 859 O GLU A 57 17.565 -4.516 -7.099 1.00 0.00 O ATOM 860 CB GLU A 57 19.013 -5.296 -9.249 1.00 0.00 C ATOM 861 CG GLU A 57 19.299 -3.813 -9.079 1.00 0.00 C ATOM 862 CD GLU A 57 20.732 -3.539 -8.668 1.00 0.00 C ATOM 863 OE1 GLU A 57 21.065 -3.771 -7.487 1.00 0.00 O ATOM 864 OE2 GLU A 57 21.521 -3.091 -9.527 1.00 0.00 O ATOM 0 H GLU A 57 17.827 -7.719 -7.844 1.00 0.00 H new ATOM 0 HA GLU A 57 20.199 -6.088 -7.641 1.00 0.00 H new ATOM 0 HB2 GLU A 57 19.692 -5.705 -9.997 1.00 0.00 H new ATOM 0 HB3 GLU A 57 18.001 -5.421 -9.635 1.00 0.00 H new ATOM 0 HG2 GLU A 57 19.088 -3.296 -10.015 1.00 0.00 H new ATOM 0 HG3 GLU A 57 18.625 -3.400 -8.329 1.00 0.00 H new ATOM 871 N ASN A 58 18.439 -5.989 -5.639 1.00 0.00 N ATOM 872 CA ASN A 58 17.691 -5.471 -4.500 1.00 0.00 C ATOM 873 C ASN A 58 18.129 -4.049 -4.164 1.00 0.00 C ATOM 874 O ASN A 58 19.186 -3.595 -4.604 1.00 0.00 O ATOM 875 CB ASN A 58 17.884 -6.377 -3.282 1.00 0.00 C ATOM 876 CG ASN A 58 19.323 -6.827 -3.120 1.00 0.00 C ATOM 877 OD1 ASN A 58 20.185 -5.910 -2.694 1.00 0.00 O flip ATOM 878 ND2 ASN A 58 19.656 -7.984 -3.373 1.00 0.00 N flip ATOM 0 H ASN A 58 19.053 -6.773 -5.419 1.00 0.00 H new ATOM 0 HA ASN A 58 16.635 -5.454 -4.768 1.00 0.00 H new ATOM 0 HB2 ASN A 58 17.569 -5.846 -2.384 1.00 0.00 H new ATOM 0 HB3 ASN A 58 17.241 -7.252 -3.377 1.00 0.00 H new ATOM 0 HD21 ASN A 58 18.960 -8.655 -3.698 1.00 0.00 H new ATOM 0 HD22 ASN A 58 20.628 -8.272 -3.258 1.00 0.00 H new ATOM 885 N PRO A 59 17.318 -3.326 -3.378 1.00 0.00 N ATOM 886 CA PRO A 59 16.058 -3.844 -2.845 1.00 0.00 C ATOM 887 C PRO A 59 14.932 -3.809 -3.873 1.00 0.00 C ATOM 888 O PRO A 59 15.181 -3.721 -5.076 1.00 0.00 O ATOM 889 CB PRO A 59 15.759 -2.895 -1.688 1.00 0.00 C ATOM 890 CG PRO A 59 16.385 -1.601 -2.086 1.00 0.00 C ATOM 891 CD PRO A 59 17.573 -1.941 -2.949 1.00 0.00 C ATOM 0 HA PRO A 59 16.134 -4.891 -2.551 1.00 0.00 H new ATOM 0 HB2 PRO A 59 14.686 -2.784 -1.534 1.00 0.00 H new ATOM 0 HB3 PRO A 59 16.178 -3.266 -0.753 1.00 0.00 H new ATOM 0 HG2 PRO A 59 15.675 -0.980 -2.632 1.00 0.00 H new ATOM 0 HG3 PRO A 59 16.694 -1.035 -1.208 1.00 0.00 H new ATOM 0 HD2 PRO A 59 17.652 -1.267 -3.802 1.00 0.00 H new ATOM 0 HD3 PRO A 59 18.507 -1.861 -2.392 1.00 0.00 H new ATOM 899 N CYS A 60 13.692 -3.886 -3.396 1.00 0.00 N ATOM 900 CA CYS A 60 12.534 -3.870 -4.284 1.00 0.00 C ATOM 901 C CYS A 60 11.322 -3.227 -3.618 1.00 0.00 C ATOM 902 O CYS A 60 10.837 -3.706 -2.594 1.00 0.00 O ATOM 903 CB CYS A 60 12.180 -5.293 -4.718 1.00 0.00 C ATOM 904 SG CYS A 60 11.554 -5.416 -6.410 1.00 0.00 S ATOM 0 H CYS A 60 13.464 -3.960 -2.404 1.00 0.00 H new ATOM 0 HA CYS A 60 12.801 -3.274 -5.157 1.00 0.00 H new ATOM 0 HB2 CYS A 60 13.066 -5.921 -4.623 1.00 0.00 H new ATOM 0 HB3 CYS A 60 11.431 -5.694 -4.035 1.00 0.00 H new ATOM 0 HG CYS A 60 11.285 -6.658 -6.684 1.00 0.00 H new ATOM 910 N ILE A 61 10.824 -2.152 -4.222 1.00 0.00 N ATOM 911 CA ILE A 61 9.652 -1.458 -3.705 1.00 0.00 C ATOM 912 C ILE A 61 8.533 -1.471 -4.736 1.00 0.00 C ATOM 913 O ILE A 61 8.640 -0.845 -5.791 1.00 0.00 O ATOM 914 CB ILE A 61 9.962 0.001 -3.322 1.00 0.00 C ATOM 915 CG1 ILE A 61 11.366 0.109 -2.721 1.00 0.00 C ATOM 916 CG2 ILE A 61 8.910 0.522 -2.350 1.00 0.00 C ATOM 917 CD1 ILE A 61 11.373 0.375 -1.232 1.00 0.00 C ATOM 0 H ILE A 61 11.215 -1.743 -5.071 1.00 0.00 H new ATOM 0 HA ILE A 61 9.342 -1.989 -2.805 1.00 0.00 H new ATOM 0 HB ILE A 61 9.933 0.617 -4.221 1.00 0.00 H new ATOM 0 HG12 ILE A 61 11.908 -0.816 -2.918 1.00 0.00 H new ATOM 0 HG13 ILE A 61 11.907 0.909 -3.226 1.00 0.00 H new ATOM 0 HG21 ILE A 61 9.139 1.554 -2.086 1.00 0.00 H new ATOM 0 HG22 ILE A 61 7.927 0.477 -2.819 1.00 0.00 H new ATOM 0 HG23 ILE A 61 8.911 -0.092 -1.449 1.00 0.00 H new ATOM 0 HD11 ILE A 61 12.402 0.439 -0.879 1.00 0.00 H new ATOM 0 HD12 ILE A 61 10.861 1.315 -1.028 1.00 0.00 H new ATOM 0 HD13 ILE A 61 10.861 -0.437 -0.715 1.00 0.00 H new ATOM 929 N LYS A 62 7.464 -2.193 -4.430 1.00 0.00 N ATOM 930 CA LYS A 62 6.328 -2.294 -5.338 1.00 0.00 C ATOM 931 C LYS A 62 5.225 -1.326 -4.945 1.00 0.00 C ATOM 932 O LYS A 62 5.083 -0.972 -3.774 1.00 0.00 O ATOM 933 CB LYS A 62 5.773 -3.716 -5.339 1.00 0.00 C ATOM 934 CG LYS A 62 5.148 -4.126 -6.662 1.00 0.00 C ATOM 935 CD LYS A 62 5.164 -5.635 -6.843 1.00 0.00 C ATOM 936 CE LYS A 62 4.338 -6.060 -8.046 1.00 0.00 C ATOM 937 NZ LYS A 62 2.921 -6.333 -7.679 1.00 0.00 N ATOM 0 H LYS A 62 7.359 -2.717 -3.561 1.00 0.00 H new ATOM 0 HA LYS A 62 6.680 -2.039 -6.337 1.00 0.00 H new ATOM 0 HB2 LYS A 62 6.577 -4.411 -5.096 1.00 0.00 H new ATOM 0 HB3 LYS A 62 5.026 -3.806 -4.551 1.00 0.00 H new ATOM 0 HG2 LYS A 62 4.121 -3.764 -6.708 1.00 0.00 H new ATOM 0 HG3 LYS A 62 5.689 -3.655 -7.483 1.00 0.00 H new ATOM 0 HD2 LYS A 62 6.192 -5.977 -6.967 1.00 0.00 H new ATOM 0 HD3 LYS A 62 4.774 -6.114 -5.945 1.00 0.00 H new ATOM 0 HE2 LYS A 62 4.372 -5.278 -8.804 1.00 0.00 H new ATOM 0 HE3 LYS A 62 4.777 -6.954 -8.490 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 2.631 -7.251 -8.073 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 2.829 -6.356 -6.643 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 2.312 -5.583 -8.064 1.00 0.00 H new ATOM 951 N HIS A 63 4.435 -0.911 -5.926 1.00 0.00 N ATOM 952 CA HIS A 63 3.337 0.001 -5.674 1.00 0.00 C ATOM 953 C HIS A 63 2.002 -0.689 -5.926 1.00 0.00 C ATOM 954 O HIS A 63 1.635 -0.959 -7.069 1.00 0.00 O ATOM 955 CB HIS A 63 3.465 1.232 -6.570 1.00 0.00 C ATOM 956 CG HIS A 63 4.619 2.116 -6.213 1.00 0.00 C ATOM 957 ND1 HIS A 63 5.895 2.118 -6.676 1.00 0.00 N flip ATOM 958 CD2 HIS A 63 4.549 3.135 -5.289 1.00 0.00 C flip ATOM 959 CE1 HIS A 63 6.609 3.132 -6.044 1.00 0.00 C flip ATOM 960 NE2 HIS A 63 5.756 3.713 -5.222 1.00 0.00 N flip ATOM 0 H HIS A 63 4.537 -1.193 -6.901 1.00 0.00 H new ATOM 0 HA HIS A 63 3.376 0.313 -4.630 1.00 0.00 H new ATOM 0 HB2 HIS A 63 3.573 0.908 -7.605 1.00 0.00 H new ATOM 0 HB3 HIS A 63 2.543 1.811 -6.512 1.00 0.00 H new ATOM 0 HD1 HIS A 63 6.271 1.478 -7.376 1.00 0.00 H new ATOM 0 HD2 HIS A 63 3.676 3.418 -4.719 1.00 0.00 H new ATOM 0 HE1 HIS A 63 7.647 3.390 -6.195 1.00 0.00 H new ATOM 968 N TYR A 64 1.280 -0.966 -4.848 1.00 0.00 N ATOM 969 CA TYR A 64 -0.017 -1.620 -4.942 1.00 0.00 C ATOM 970 C TYR A 64 -1.141 -0.603 -4.839 1.00 0.00 C ATOM 971 O TYR A 64 -1.273 0.082 -3.827 1.00 0.00 O ATOM 972 CB TYR A 64 -0.167 -2.656 -3.835 1.00 0.00 C ATOM 973 CG TYR A 64 0.698 -3.862 -4.056 1.00 0.00 C ATOM 974 CD1 TYR A 64 2.075 -3.739 -4.097 1.00 0.00 C ATOM 975 CD2 TYR A 64 0.141 -5.118 -4.241 1.00 0.00 C ATOM 976 CE1 TYR A 64 2.878 -4.833 -4.316 1.00 0.00 C ATOM 977 CE2 TYR A 64 0.939 -6.222 -4.458 1.00 0.00 C ATOM 978 CZ TYR A 64 2.309 -6.075 -4.495 1.00 0.00 C ATOM 979 OH TYR A 64 3.111 -7.172 -4.714 1.00 0.00 O ATOM 0 H TYR A 64 1.573 -0.747 -3.896 1.00 0.00 H new ATOM 0 HA TYR A 64 -0.077 -2.115 -5.911 1.00 0.00 H new ATOM 0 HB2 TYR A 64 0.088 -2.200 -2.878 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -1.210 -2.967 -3.772 1.00 0.00 H new ATOM 0 HD1 TYR A 64 2.526 -2.768 -3.955 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -0.932 -5.234 -4.215 1.00 0.00 H new ATOM 0 HE1 TYR A 64 3.952 -4.719 -4.348 1.00 0.00 H new ATOM 0 HE2 TYR A 64 0.493 -7.196 -4.598 1.00 0.00 H new ATOM 0 HH TYR A 64 2.671 -7.778 -5.346 1.00 0.00 H new ATOM 989 N HIS A 65 -1.959 -0.508 -5.876 1.00 0.00 N ATOM 990 CA HIS A 65 -3.068 0.429 -5.852 1.00 0.00 C ATOM 991 C HIS A 65 -4.299 -0.220 -5.261 1.00 0.00 C ATOM 992 O HIS A 65 -4.550 -1.407 -5.468 1.00 0.00 O ATOM 993 CB HIS A 65 -3.395 0.965 -7.239 1.00 0.00 C ATOM 994 CG HIS A 65 -3.704 2.416 -7.214 1.00 0.00 C ATOM 995 ND1 HIS A 65 -3.728 3.157 -6.064 1.00 0.00 N ATOM 996 CD2 HIS A 65 -4.007 3.264 -8.218 1.00 0.00 C ATOM 997 CE1 HIS A 65 -4.037 4.410 -6.392 1.00 0.00 C ATOM 998 NE2 HIS A 65 -4.218 4.534 -7.693 1.00 0.00 N ATOM 0 H HIS A 65 -1.878 -1.059 -6.731 1.00 0.00 H new ATOM 0 HA HIS A 65 -2.760 1.268 -5.229 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -2.552 0.785 -7.906 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -4.246 0.420 -7.647 1.00 0.00 H new ATOM 0 HD1 HIS A 65 -3.542 2.811 -5.123 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -4.075 2.999 -9.263 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -4.128 5.221 -5.684 1.00 0.00 H new ATOM 1006 N ILE A 66 -5.070 0.565 -4.530 1.00 0.00 N ATOM 1007 CA ILE A 66 -6.284 0.048 -3.920 1.00 0.00 C ATOM 1008 C ILE A 66 -7.453 0.169 -4.881 1.00 0.00 C ATOM 1009 O ILE A 66 -7.980 1.254 -5.099 1.00 0.00 O ATOM 1010 CB ILE A 66 -6.625 0.785 -2.608 1.00 0.00 C ATOM 1011 CG1 ILE A 66 -5.465 1.685 -2.193 1.00 0.00 C ATOM 1012 CG2 ILE A 66 -6.951 -0.213 -1.504 1.00 0.00 C ATOM 1013 CD1 ILE A 66 -4.113 1.009 -2.280 1.00 0.00 C ATOM 0 H ILE A 66 -4.882 1.550 -4.345 1.00 0.00 H new ATOM 0 HA ILE A 66 -6.105 -1.002 -3.687 1.00 0.00 H new ATOM 0 HB ILE A 66 -7.504 1.407 -2.776 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -5.460 2.572 -2.826 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -5.627 2.024 -1.170 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -7.189 0.325 -0.586 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -7.807 -0.819 -1.802 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -6.091 -0.860 -1.333 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -3.336 1.708 -1.970 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -4.099 0.138 -1.625 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -3.929 0.694 -3.307 1.00 0.00 H new ATOM 1025 N LYS A 67 -7.865 -0.953 -5.447 1.00 0.00 N ATOM 1026 CA LYS A 67 -8.984 -0.957 -6.372 1.00 0.00 C ATOM 1027 C LYS A 67 -10.258 -0.613 -5.616 1.00 0.00 C ATOM 1028 O LYS A 67 -10.420 -1.024 -4.470 1.00 0.00 O ATOM 1029 CB LYS A 67 -9.119 -2.322 -7.049 1.00 0.00 C ATOM 1030 CG LYS A 67 -10.034 -2.312 -8.262 1.00 0.00 C ATOM 1031 CD LYS A 67 -9.665 -1.197 -9.228 1.00 0.00 C ATOM 1032 CE LYS A 67 -8.163 -0.972 -9.271 1.00 0.00 C ATOM 1033 NZ LYS A 67 -7.818 0.376 -9.801 1.00 0.00 N ATOM 0 H LYS A 67 -7.444 -1.867 -5.283 1.00 0.00 H new ATOM 0 HA LYS A 67 -8.810 -0.212 -7.149 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -8.131 -2.667 -7.353 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -9.499 -3.042 -6.324 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -9.973 -3.273 -8.773 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -11.068 -2.188 -7.939 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -10.026 -1.445 -10.226 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -10.164 -0.275 -8.929 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -7.750 -1.084 -8.268 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -7.699 -1.737 -9.894 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -6.784 0.490 -9.814 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -8.189 0.475 -10.767 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -8.239 1.107 -9.192 1.00 0.00 H new ATOM 1047 N GLU A 68 -11.146 0.147 -6.254 1.00 0.00 N ATOM 1048 CA GLU A 68 -12.400 0.560 -5.625 1.00 0.00 C ATOM 1049 C GLU A 68 -13.598 -0.048 -6.347 1.00 0.00 C ATOM 1050 O GLU A 68 -13.646 -0.070 -7.577 1.00 0.00 O ATOM 1051 CB GLU A 68 -12.519 2.089 -5.650 1.00 0.00 C ATOM 1052 CG GLU A 68 -11.684 2.794 -4.594 1.00 0.00 C ATOM 1053 CD GLU A 68 -12.464 3.863 -3.855 1.00 0.00 C ATOM 1054 OE1 GLU A 68 -13.683 3.984 -4.099 1.00 0.00 O ATOM 1055 OE2 GLU A 68 -11.856 4.580 -3.033 1.00 0.00 O ATOM 0 H GLU A 68 -11.021 0.490 -7.207 1.00 0.00 H new ATOM 0 HA GLU A 68 -12.394 0.206 -4.594 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -12.221 2.450 -6.634 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -13.565 2.364 -5.514 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -11.313 2.060 -3.879 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -10.812 3.246 -5.067 1.00 0.00 H new ATOM 1062 N THR A 69 -14.567 -0.538 -5.577 1.00 0.00 N ATOM 1063 CA THR A 69 -15.763 -1.139 -6.152 1.00 0.00 C ATOM 1064 C THR A 69 -17.009 -0.656 -5.422 1.00 0.00 C ATOM 1065 O THR A 69 -17.007 -0.509 -4.200 1.00 0.00 O ATOM 1066 CB THR A 69 -15.676 -2.665 -6.087 1.00 0.00 C ATOM 1067 OG1 THR A 69 -16.803 -3.257 -6.707 1.00 0.00 O ATOM 1068 CG2 THR A 69 -15.595 -3.199 -4.675 1.00 0.00 C ATOM 0 H THR A 69 -14.546 -0.530 -4.557 1.00 0.00 H new ATOM 0 HA THR A 69 -15.831 -0.834 -7.196 1.00 0.00 H new ATOM 0 HB THR A 69 -14.756 -2.925 -6.609 1.00 0.00 H new ATOM 0 HG1 THR A 69 -17.433 -3.559 -6.020 1.00 0.00 H new ATOM 0 HG21 THR A 69 -15.536 -4.287 -4.700 1.00 0.00 H new ATOM 0 HG22 THR A 69 -14.708 -2.798 -4.185 1.00 0.00 H new ATOM 0 HG23 THR A 69 -16.483 -2.897 -4.120 1.00 0.00 H new ATOM 1076 N ASN A 70 -18.071 -0.405 -6.177 1.00 0.00 N ATOM 1077 CA ASN A 70 -19.322 0.064 -5.596 1.00 0.00 C ATOM 1078 C ASN A 70 -19.905 -0.978 -4.648 1.00 0.00 C ATOM 1079 O ASN A 70 -21.071 -1.354 -4.768 1.00 0.00 O ATOM 1080 CB ASN A 70 -20.331 0.390 -6.699 1.00 0.00 C ATOM 1081 CG ASN A 70 -21.118 -0.829 -7.139 1.00 0.00 C ATOM 1082 OD1 ASN A 70 -22.349 -0.823 -7.130 1.00 0.00 O ATOM 1083 ND2 ASN A 70 -20.410 -1.882 -7.528 1.00 0.00 N ATOM 0 H ASN A 70 -18.091 -0.518 -7.191 1.00 0.00 H new ATOM 0 HA ASN A 70 -19.113 0.970 -5.027 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -21.020 1.155 -6.343 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -19.805 0.809 -7.557 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -20.885 -2.731 -7.836 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -19.391 -1.843 -7.519 1.00 0.00 H new ATOM 1090 N ASP A 71 -19.091 -1.442 -3.703 1.00 0.00 N ATOM 1091 CA ASP A 71 -19.538 -2.438 -2.741 1.00 0.00 C ATOM 1092 C ASP A 71 -19.786 -1.800 -1.378 1.00 0.00 C ATOM 1093 O ASP A 71 -19.611 -0.593 -1.207 1.00 0.00 O ATOM 1094 CB ASP A 71 -18.510 -3.562 -2.616 1.00 0.00 C ATOM 1095 CG ASP A 71 -18.742 -4.671 -3.623 1.00 0.00 C ATOM 1096 OD1 ASP A 71 -19.215 -4.370 -4.739 1.00 0.00 O ATOM 1097 OD2 ASP A 71 -18.452 -5.841 -3.295 1.00 0.00 O ATOM 0 H ASP A 71 -18.123 -1.144 -3.585 1.00 0.00 H new ATOM 0 HA ASP A 71 -20.476 -2.860 -3.102 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -17.509 -3.153 -2.754 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -18.549 -3.976 -1.608 1.00 0.00 H new ATOM 1102 N SER A 72 -20.195 -2.614 -0.412 1.00 0.00 N ATOM 1103 CA SER A 72 -20.466 -2.122 0.934 1.00 0.00 C ATOM 1104 C SER A 72 -20.585 -3.275 1.924 1.00 0.00 C ATOM 1105 O SER A 72 -21.432 -4.155 1.771 1.00 0.00 O ATOM 1106 CB SER A 72 -21.749 -1.290 0.946 1.00 0.00 C ATOM 1107 OG SER A 72 -22.239 -1.126 2.266 1.00 0.00 O ATOM 0 H SER A 72 -20.346 -3.615 -0.535 1.00 0.00 H new ATOM 0 HA SER A 72 -19.629 -1.493 1.238 1.00 0.00 H new ATOM 0 HB2 SER A 72 -21.557 -0.313 0.502 1.00 0.00 H new ATOM 0 HB3 SER A 72 -22.507 -1.776 0.331 1.00 0.00 H new ATOM 0 HG SER A 72 -23.059 -0.589 2.246 1.00 0.00 H new ATOM 1113 N PRO A 73 -19.729 -3.282 2.957 1.00 0.00 N ATOM 1114 CA PRO A 73 -18.717 -2.247 3.157 1.00 0.00 C ATOM 1115 C PRO A 73 -17.449 -2.511 2.351 1.00 0.00 C ATOM 1116 O PRO A 73 -16.338 -2.309 2.841 1.00 0.00 O ATOM 1117 CB PRO A 73 -18.430 -2.350 4.651 1.00 0.00 C ATOM 1118 CG PRO A 73 -18.630 -3.794 4.971 1.00 0.00 C ATOM 1119 CD PRO A 73 -19.685 -4.305 4.018 1.00 0.00 C ATOM 0 HA PRO A 73 -19.056 -1.264 2.831 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -17.415 -2.029 4.883 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -19.104 -1.718 5.229 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -17.700 -4.349 4.853 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -18.948 -3.921 6.006 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -19.422 -5.284 3.618 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -20.651 -4.411 4.511 1.00 0.00 H new ATOM 1127 N LYS A 74 -17.620 -2.969 1.114 1.00 0.00 N ATOM 1128 CA LYS A 74 -16.486 -3.265 0.246 1.00 0.00 C ATOM 1129 C LYS A 74 -16.412 -2.299 -0.922 1.00 0.00 C ATOM 1130 O LYS A 74 -17.429 -1.821 -1.423 1.00 0.00 O ATOM 1131 CB LYS A 74 -16.566 -4.705 -0.264 1.00 0.00 C ATOM 1132 CG LYS A 74 -16.491 -5.745 0.841 1.00 0.00 C ATOM 1133 CD LYS A 74 -17.825 -6.445 1.037 1.00 0.00 C ATOM 1134 CE LYS A 74 -18.150 -7.349 -0.139 1.00 0.00 C ATOM 1135 NZ LYS A 74 -19.497 -7.060 -0.707 1.00 0.00 N ATOM 0 H LYS A 74 -18.532 -3.143 0.691 1.00 0.00 H new ATOM 0 HA LYS A 74 -15.578 -3.147 0.837 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -17.499 -4.836 -0.813 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -15.754 -4.878 -0.970 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -15.725 -6.481 0.598 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -16.189 -5.267 1.773 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -17.799 -7.033 1.954 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -18.614 -5.702 1.157 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -17.394 -7.222 -0.914 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -18.107 -8.390 0.181 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -20.007 -7.953 -0.863 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -20.034 -6.466 -0.043 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -19.392 -6.559 -1.612 1.00 0.00 H new ATOM 1149 N ARG A 75 -15.189 -2.014 -1.343 1.00 0.00 N ATOM 1150 CA ARG A 75 -14.952 -1.104 -2.448 1.00 0.00 C ATOM 1151 C ARG A 75 -13.503 -1.174 -2.902 1.00 0.00 C ATOM 1152 O ARG A 75 -13.218 -1.411 -4.075 1.00 0.00 O ATOM 1153 CB ARG A 75 -15.275 0.328 -2.041 1.00 0.00 C ATOM 1154 CG ARG A 75 -15.241 0.557 -0.543 1.00 0.00 C ATOM 1155 CD ARG A 75 -16.384 1.449 -0.088 1.00 0.00 C ATOM 1156 NE ARG A 75 -17.637 1.120 -0.762 1.00 0.00 N ATOM 1157 CZ ARG A 75 -18.526 2.029 -1.149 1.00 0.00 C ATOM 1158 NH1 ARG A 75 -18.299 3.317 -0.929 1.00 0.00 N ATOM 1159 NH2 ARG A 75 -19.642 1.651 -1.757 1.00 0.00 N ATOM 0 H ARG A 75 -14.341 -2.404 -0.931 1.00 0.00 H new ATOM 0 HA ARG A 75 -15.602 -1.404 -3.270 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -14.564 1.002 -2.519 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -16.264 0.589 -2.417 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -15.298 -0.401 -0.026 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -14.290 1.012 -0.265 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -16.515 1.349 0.989 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -16.130 2.491 -0.283 1.00 0.00 H new ATOM 0 HE ARG A 75 -17.841 0.138 -0.946 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -17.441 3.611 -0.462 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -18.982 4.013 -1.227 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -19.819 0.661 -1.928 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -20.323 2.350 -2.053 1.00 0.00 H new ATOM 1173 N TYR A 76 -12.590 -0.935 -1.970 1.00 0.00 N ATOM 1174 CA TYR A 76 -11.175 -0.935 -2.284 1.00 0.00 C ATOM 1175 C TYR A 76 -10.574 -2.330 -2.188 1.00 0.00 C ATOM 1176 O TYR A 76 -11.003 -3.156 -1.381 1.00 0.00 O ATOM 1177 CB TYR A 76 -10.447 0.039 -1.368 1.00 0.00 C ATOM 1178 CG TYR A 76 -11.244 1.294 -1.142 1.00 0.00 C ATOM 1179 CD1 TYR A 76 -12.397 1.526 -1.876 1.00 0.00 C ATOM 1180 CD2 TYR A 76 -10.859 2.235 -0.205 1.00 0.00 C ATOM 1181 CE1 TYR A 76 -13.148 2.659 -1.685 1.00 0.00 C ATOM 1182 CE2 TYR A 76 -11.606 3.381 -0.002 1.00 0.00 C ATOM 1183 CZ TYR A 76 -12.753 3.588 -0.744 1.00 0.00 C ATOM 1184 OH TYR A 76 -13.500 4.726 -0.548 1.00 0.00 O ATOM 0 H TYR A 76 -12.808 -0.739 -0.993 1.00 0.00 H new ATOM 0 HA TYR A 76 -11.054 -0.610 -3.318 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -10.247 -0.442 -0.411 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -9.481 0.295 -1.804 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -12.710 0.801 -2.613 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -9.963 2.073 0.376 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -14.043 2.822 -2.268 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -11.295 4.110 0.732 1.00 0.00 H new ATOM 0 HH TYR A 76 -13.084 5.274 0.150 1.00 0.00 H new ATOM 1194 N TYR A 77 -9.580 -2.576 -3.030 1.00 0.00 N ATOM 1195 CA TYR A 77 -8.899 -3.871 -3.071 1.00 0.00 C ATOM 1196 C TYR A 77 -7.739 -3.844 -4.063 1.00 0.00 C ATOM 1197 O TYR A 77 -7.747 -3.069 -5.015 1.00 0.00 O ATOM 1198 CB TYR A 77 -9.879 -4.976 -3.468 1.00 0.00 C ATOM 1199 CG TYR A 77 -10.280 -4.912 -4.920 1.00 0.00 C ATOM 1200 CD1 TYR A 77 -11.197 -3.965 -5.356 1.00 0.00 C ATOM 1201 CD2 TYR A 77 -9.737 -5.786 -5.857 1.00 0.00 C ATOM 1202 CE1 TYR A 77 -11.564 -3.884 -6.683 1.00 0.00 C ATOM 1203 CE2 TYR A 77 -10.104 -5.708 -7.190 1.00 0.00 C ATOM 1204 CZ TYR A 77 -11.015 -4.756 -7.596 1.00 0.00 C ATOM 1205 OH TYR A 77 -11.379 -4.679 -8.921 1.00 0.00 O ATOM 0 H TYR A 77 -9.223 -1.894 -3.699 1.00 0.00 H new ATOM 0 HA TYR A 77 -8.508 -4.074 -2.074 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -9.426 -5.946 -3.264 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -10.771 -4.903 -2.846 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -11.631 -3.279 -4.643 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -9.023 -6.532 -5.542 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -12.278 -3.140 -7.004 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -9.678 -6.391 -7.910 1.00 0.00 H new ATOM 0 HH TYR A 77 -11.493 -5.583 -9.282 1.00 0.00 H new ATOM 1215 N VAL A 78 -6.751 -4.703 -3.845 1.00 0.00 N ATOM 1216 CA VAL A 78 -5.595 -4.775 -4.734 1.00 0.00 C ATOM 1217 C VAL A 78 -5.375 -6.194 -5.220 1.00 0.00 C ATOM 1218 O VAL A 78 -4.379 -6.829 -4.873 1.00 0.00 O ATOM 1219 CB VAL A 78 -4.306 -4.310 -4.041 1.00 0.00 C ATOM 1220 CG1 VAL A 78 -4.428 -2.868 -3.578 1.00 0.00 C ATOM 1221 CG2 VAL A 78 -3.974 -5.234 -2.880 1.00 0.00 C ATOM 0 H VAL A 78 -6.725 -5.358 -3.064 1.00 0.00 H new ATOM 0 HA VAL A 78 -5.814 -4.113 -5.572 1.00 0.00 H new ATOM 0 HB VAL A 78 -3.488 -4.355 -4.760 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -3.502 -2.563 -3.090 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -4.615 -2.224 -4.438 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -5.255 -2.781 -2.873 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -3.058 -4.895 -2.396 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -4.792 -5.221 -2.159 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -3.834 -6.249 -3.251 1.00 0.00 H new ATOM 1231 N ALA A 79 -6.307 -6.691 -6.013 1.00 0.00 N ATOM 1232 CA ALA A 79 -6.205 -8.042 -6.528 1.00 0.00 C ATOM 1233 C ALA A 79 -7.583 -8.667 -6.661 1.00 0.00 C ATOM 1234 O ALA A 79 -7.778 -9.822 -6.285 1.00 0.00 O ATOM 1235 CB ALA A 79 -5.352 -8.887 -5.590 1.00 0.00 C ATOM 0 H ALA A 79 -7.138 -6.182 -6.312 1.00 0.00 H new ATOM 0 HA ALA A 79 -5.739 -8.004 -7.513 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -5.278 -9.902 -5.981 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -4.355 -8.453 -5.515 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -5.812 -8.911 -4.602 1.00 0.00 H new ATOM 1241 N GLU A 80 -8.556 -7.901 -7.153 1.00 0.00 N ATOM 1242 CA GLU A 80 -9.907 -8.432 -7.256 1.00 0.00 C ATOM 1243 C GLU A 80 -10.098 -9.349 -6.069 1.00 0.00 C ATOM 1244 O GLU A 80 -10.789 -10.366 -6.129 1.00 0.00 O ATOM 1245 CB GLU A 80 -10.103 -9.194 -8.568 1.00 0.00 C ATOM 1246 CG GLU A 80 -9.638 -8.424 -9.794 1.00 0.00 C ATOM 1247 CD GLU A 80 -10.772 -8.107 -10.749 1.00 0.00 C ATOM 1248 OE1 GLU A 80 -11.757 -7.476 -10.312 1.00 0.00 O ATOM 1249 OE2 GLU A 80 -10.676 -8.491 -11.933 1.00 0.00 O ATOM 0 H GLU A 80 -8.438 -6.941 -7.476 1.00 0.00 H new ATOM 0 HA GLU A 80 -10.641 -7.626 -7.254 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -9.561 -10.138 -8.515 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -11.159 -9.439 -8.682 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -9.165 -7.495 -9.477 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -8.879 -9.006 -10.317 1.00 0.00 H new ATOM 1256 N LYS A 81 -9.400 -8.978 -5.004 1.00 0.00 N ATOM 1257 CA LYS A 81 -9.371 -9.733 -3.775 1.00 0.00 C ATOM 1258 C LYS A 81 -9.890 -8.927 -2.591 1.00 0.00 C ATOM 1259 O LYS A 81 -10.177 -7.735 -2.707 1.00 0.00 O ATOM 1260 CB LYS A 81 -7.924 -10.124 -3.519 1.00 0.00 C ATOM 1261 CG LYS A 81 -7.095 -8.984 -2.950 1.00 0.00 C ATOM 1262 CD LYS A 81 -5.655 -9.398 -2.701 1.00 0.00 C ATOM 1263 CE LYS A 81 -4.835 -8.224 -2.217 1.00 0.00 C ATOM 1264 NZ LYS A 81 -5.640 -7.331 -1.339 1.00 0.00 N ATOM 0 H LYS A 81 -8.833 -8.131 -4.977 1.00 0.00 H new ATOM 0 HA LYS A 81 -10.018 -10.604 -3.878 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -7.897 -10.966 -2.828 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -7.474 -10.463 -4.452 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -7.116 -8.141 -3.640 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -7.541 -8.642 -2.016 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -5.625 -10.198 -1.961 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -5.222 -9.796 -3.619 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -3.964 -8.586 -1.671 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -4.464 -7.659 -3.072 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -5.003 -6.747 -0.760 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -6.238 -6.715 -1.926 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -6.242 -7.907 -0.717 1.00 0.00 H new ATOM 1278 N TYR A 82 -9.990 -9.597 -1.449 1.00 0.00 N ATOM 1279 CA TYR A 82 -10.453 -8.973 -0.218 1.00 0.00 C ATOM 1280 C TYR A 82 -10.694 -7.491 -0.417 1.00 0.00 C ATOM 1281 O TYR A 82 -9.801 -6.674 -0.196 1.00 0.00 O ATOM 1282 CB TYR A 82 -9.440 -9.148 0.918 1.00 0.00 C ATOM 1283 CG TYR A 82 -8.385 -10.202 0.686 1.00 0.00 C ATOM 1284 CD1 TYR A 82 -7.853 -10.432 -0.574 1.00 0.00 C ATOM 1285 CD2 TYR A 82 -7.907 -10.957 1.745 1.00 0.00 C ATOM 1286 CE1 TYR A 82 -6.875 -11.385 -0.772 1.00 0.00 C ATOM 1287 CE2 TYR A 82 -6.932 -11.910 1.557 1.00 0.00 C ATOM 1288 CZ TYR A 82 -6.417 -12.120 0.296 1.00 0.00 C ATOM 1289 OH TYR A 82 -5.442 -13.071 0.104 1.00 0.00 O ATOM 0 H TYR A 82 -9.753 -10.584 -1.351 1.00 0.00 H new ATOM 0 HA TYR A 82 -11.386 -9.469 0.050 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -8.944 -8.193 1.090 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -9.982 -9.395 1.831 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -8.210 -9.855 -1.414 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -8.306 -10.795 2.735 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -6.472 -11.553 -1.760 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -6.572 -12.491 2.394 1.00 0.00 H new ATOM 0 HH TYR A 82 -4.848 -12.789 -0.623 1.00 0.00 H new ATOM 1299 N VAL A 83 -11.900 -7.144 -0.814 1.00 0.00 N ATOM 1300 CA VAL A 83 -12.242 -5.753 -1.012 1.00 0.00 C ATOM 1301 C VAL A 83 -12.568 -5.113 0.325 1.00 0.00 C ATOM 1302 O VAL A 83 -12.918 -5.808 1.279 1.00 0.00 O ATOM 1303 CB VAL A 83 -13.420 -5.605 -1.978 1.00 0.00 C ATOM 1304 CG1 VAL A 83 -13.433 -4.209 -2.577 1.00 0.00 C ATOM 1305 CG2 VAL A 83 -13.334 -6.672 -3.060 1.00 0.00 C ATOM 0 H VAL A 83 -12.656 -7.802 -1.005 1.00 0.00 H new ATOM 0 HA VAL A 83 -11.385 -5.245 -1.455 1.00 0.00 H new ATOM 0 HB VAL A 83 -14.355 -5.744 -1.436 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -14.275 -4.115 -3.263 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -13.530 -3.472 -1.780 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -12.503 -4.037 -3.119 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -14.174 -6.563 -3.746 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -12.400 -6.558 -3.610 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -13.366 -7.660 -2.600 1.00 0.00 H new ATOM 1315 N PHE A 84 -12.431 -3.798 0.415 1.00 0.00 N ATOM 1316 CA PHE A 84 -12.694 -3.119 1.672 1.00 0.00 C ATOM 1317 C PHE A 84 -13.280 -1.732 1.451 1.00 0.00 C ATOM 1318 O PHE A 84 -13.233 -1.190 0.346 1.00 0.00 O ATOM 1319 CB PHE A 84 -11.407 -3.041 2.496 1.00 0.00 C ATOM 1320 CG PHE A 84 -10.658 -4.347 2.553 1.00 0.00 C ATOM 1321 CD1 PHE A 84 -11.054 -5.352 3.423 1.00 0.00 C ATOM 1322 CD2 PHE A 84 -9.560 -4.570 1.737 1.00 0.00 C ATOM 1323 CE1 PHE A 84 -10.369 -6.554 3.477 1.00 0.00 C ATOM 1324 CE2 PHE A 84 -8.871 -5.770 1.786 1.00 0.00 C ATOM 1325 CZ PHE A 84 -9.276 -6.764 2.658 1.00 0.00 C ATOM 0 H PHE A 84 -12.145 -3.191 -0.353 1.00 0.00 H new ATOM 0 HA PHE A 84 -13.437 -3.696 2.222 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -10.757 -2.275 2.072 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -11.651 -2.725 3.510 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -11.907 -5.195 4.066 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -9.238 -3.798 1.054 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -10.689 -7.328 4.159 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -8.018 -5.930 1.144 1.00 0.00 H new ATOM 0 HZ PHE A 84 -8.740 -7.701 2.699 1.00 0.00 H new ATOM 1335 N ASP A 85 -13.842 -1.171 2.515 1.00 0.00 N ATOM 1336 CA ASP A 85 -14.453 0.148 2.454 1.00 0.00 C ATOM 1337 C ASP A 85 -13.463 1.231 2.859 1.00 0.00 C ATOM 1338 O ASP A 85 -13.856 2.334 3.238 1.00 0.00 O ATOM 1339 CB ASP A 85 -15.685 0.204 3.359 1.00 0.00 C ATOM 1340 CG ASP A 85 -16.161 1.623 3.601 1.00 0.00 C ATOM 1341 OD1 ASP A 85 -15.642 2.273 4.533 1.00 0.00 O ATOM 1342 OD2 ASP A 85 -17.053 2.085 2.858 1.00 0.00 O ATOM 0 H ASP A 85 -13.886 -1.613 3.433 1.00 0.00 H new ATOM 0 HA ASP A 85 -14.757 0.330 1.423 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -16.491 -0.374 2.907 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -15.452 -0.266 4.314 1.00 0.00 H new ATOM 1347 N SER A 86 -12.176 0.913 2.775 1.00 0.00 N ATOM 1348 CA SER A 86 -11.141 1.870 3.133 1.00 0.00 C ATOM 1349 C SER A 86 -9.754 1.237 3.100 1.00 0.00 C ATOM 1350 O SER A 86 -9.561 0.075 3.488 1.00 0.00 O ATOM 1351 CB SER A 86 -11.413 2.454 4.520 1.00 0.00 C ATOM 1352 OG SER A 86 -12.637 1.971 5.045 1.00 0.00 O ATOM 0 H SER A 86 -11.828 0.006 2.464 1.00 0.00 H new ATOM 0 HA SER A 86 -11.164 2.670 2.393 1.00 0.00 H new ATOM 0 HB2 SER A 86 -10.597 2.194 5.194 1.00 0.00 H new ATOM 0 HB3 SER A 86 -11.443 3.542 4.461 1.00 0.00 H new ATOM 0 HG SER A 86 -13.380 2.492 4.674 1.00 0.00 H new ATOM 1358 N ILE A 87 -8.789 2.016 2.633 1.00 0.00 N ATOM 1359 CA ILE A 87 -7.419 1.555 2.545 1.00 0.00 C ATOM 1360 C ILE A 87 -6.912 1.085 3.902 1.00 0.00 C ATOM 1361 O ILE A 87 -6.302 0.029 4.000 1.00 0.00 O ATOM 1362 CB ILE A 87 -6.484 2.645 1.996 1.00 0.00 C ATOM 1363 CG1 ILE A 87 -6.287 2.461 0.495 1.00 0.00 C ATOM 1364 CG2 ILE A 87 -5.143 2.598 2.705 1.00 0.00 C ATOM 1365 CD1 ILE A 87 -7.541 2.678 -0.323 1.00 0.00 C ATOM 0 H ILE A 87 -8.934 2.972 2.309 1.00 0.00 H new ATOM 0 HA ILE A 87 -7.413 0.715 1.850 1.00 0.00 H new ATOM 0 HB ILE A 87 -6.941 3.618 2.177 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -5.518 3.154 0.153 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -5.914 1.454 0.309 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -4.492 3.376 2.305 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -5.290 2.761 3.773 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -4.682 1.623 2.547 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -7.317 2.529 -1.379 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -8.307 1.968 -0.011 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -7.904 3.694 -0.169 1.00 0.00 H new ATOM 1377 N PRO A 88 -7.166 1.846 4.981 1.00 0.00 N ATOM 1378 CA PRO A 88 -6.723 1.450 6.315 1.00 0.00 C ATOM 1379 C PRO A 88 -7.176 0.036 6.624 1.00 0.00 C ATOM 1380 O PRO A 88 -6.379 -0.806 7.030 1.00 0.00 O ATOM 1381 CB PRO A 88 -7.388 2.458 7.254 1.00 0.00 C ATOM 1382 CG PRO A 88 -8.379 3.206 6.418 1.00 0.00 C ATOM 1383 CD PRO A 88 -7.899 3.115 4.995 1.00 0.00 C ATOM 0 HA PRO A 88 -5.638 1.452 6.415 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -7.881 1.952 8.084 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -6.651 3.135 7.685 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -9.375 2.774 6.519 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -8.448 4.246 6.737 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -8.728 3.111 4.288 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -7.258 3.956 4.730 1.00 0.00 H new ATOM 1391 N LEU A 89 -8.452 -0.235 6.375 1.00 0.00 N ATOM 1392 CA LEU A 89 -8.981 -1.575 6.572 1.00 0.00 C ATOM 1393 C LEU A 89 -8.302 -2.488 5.567 1.00 0.00 C ATOM 1394 O LEU A 89 -7.663 -3.489 5.926 1.00 0.00 O ATOM 1395 CB LEU A 89 -10.505 -1.621 6.376 1.00 0.00 C ATOM 1396 CG LEU A 89 -11.126 -0.403 5.686 1.00 0.00 C ATOM 1397 CD1 LEU A 89 -12.245 -0.833 4.752 1.00 0.00 C ATOM 1398 CD2 LEU A 89 -11.641 0.587 6.721 1.00 0.00 C ATOM 0 H LEU A 89 -9.131 0.448 6.040 1.00 0.00 H new ATOM 0 HA LEU A 89 -8.782 -1.896 7.594 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -10.751 -2.509 5.794 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -10.974 -1.740 7.353 1.00 0.00 H new ATOM 0 HG LEU A 89 -10.356 0.089 5.092 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -12.675 0.045 4.270 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -11.847 -1.505 3.992 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -13.018 -1.348 5.323 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -12.079 1.447 6.215 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -12.398 0.105 7.340 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -10.815 0.918 7.350 1.00 0.00 H new ATOM 1410 N LEU A 90 -8.409 -2.101 4.295 1.00 0.00 N ATOM 1411 CA LEU A 90 -7.777 -2.848 3.225 1.00 0.00 C ATOM 1412 C LEU A 90 -6.301 -3.035 3.548 1.00 0.00 C ATOM 1413 O LEU A 90 -5.714 -4.079 3.263 1.00 0.00 O ATOM 1414 CB LEU A 90 -7.954 -2.114 1.895 1.00 0.00 C ATOM 1415 CG LEU A 90 -7.356 -2.821 0.678 1.00 0.00 C ATOM 1416 CD1 LEU A 90 -8.217 -2.581 -0.552 1.00 0.00 C ATOM 1417 CD2 LEU A 90 -5.930 -2.347 0.435 1.00 0.00 C ATOM 0 H LEU A 90 -8.927 -1.277 3.989 1.00 0.00 H new ATOM 0 HA LEU A 90 -8.246 -3.828 3.135 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -9.019 -1.963 1.721 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -7.502 -1.126 1.980 1.00 0.00 H new ATOM 0 HG LEU A 90 -7.332 -3.892 0.877 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -7.777 -3.091 -1.409 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -9.220 -2.968 -0.375 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -8.271 -1.511 -0.755 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -5.519 -2.860 -0.435 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -5.930 -1.272 0.256 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -5.319 -2.569 1.310 1.00 0.00 H new ATOM 1429 N ILE A 91 -5.718 -2.021 4.184 1.00 0.00 N ATOM 1430 CA ILE A 91 -4.324 -2.073 4.593 1.00 0.00 C ATOM 1431 C ILE A 91 -4.215 -2.889 5.864 1.00 0.00 C ATOM 1432 O ILE A 91 -3.369 -3.775 5.987 1.00 0.00 O ATOM 1433 CB ILE A 91 -3.731 -0.669 4.853 1.00 0.00 C ATOM 1434 CG1 ILE A 91 -3.882 0.209 3.616 1.00 0.00 C ATOM 1435 CG2 ILE A 91 -2.261 -0.769 5.252 1.00 0.00 C ATOM 1436 CD1 ILE A 91 -3.057 -0.266 2.450 1.00 0.00 C ATOM 0 H ILE A 91 -6.195 -1.152 4.426 1.00 0.00 H new ATOM 0 HA ILE A 91 -3.759 -2.527 3.779 1.00 0.00 H new ATOM 0 HB ILE A 91 -4.282 -0.213 5.676 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -4.932 0.237 3.323 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -3.594 1.230 3.865 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -1.864 0.230 5.430 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -2.170 -1.363 6.161 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -1.698 -1.246 4.450 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -3.209 0.401 1.601 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -2.003 -0.267 2.727 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -3.361 -1.276 2.176 1.00 0.00 H new ATOM 1448 N GLN A 92 -5.108 -2.592 6.801 1.00 0.00 N ATOM 1449 CA GLN A 92 -5.150 -3.304 8.062 1.00 0.00 C ATOM 1450 C GLN A 92 -5.202 -4.794 7.787 1.00 0.00 C ATOM 1451 O GLN A 92 -4.605 -5.592 8.510 1.00 0.00 O ATOM 1452 CB GLN A 92 -6.366 -2.873 8.884 1.00 0.00 C ATOM 1453 CG GLN A 92 -6.152 -1.581 9.655 1.00 0.00 C ATOM 1454 CD GLN A 92 -4.711 -1.389 10.083 1.00 0.00 C ATOM 1455 OE1 GLN A 92 -3.837 -1.127 9.119 1.00 0.00 O flip ATOM 1456 NE2 GLN A 92 -4.386 -1.476 11.268 1.00 0.00 N flip ATOM 0 H GLN A 92 -5.812 -1.860 6.706 1.00 0.00 H new ATOM 0 HA GLN A 92 -4.255 -3.069 8.638 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -7.220 -2.752 8.218 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -6.620 -3.667 9.586 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -6.459 -0.738 9.036 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -6.792 -1.578 10.537 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -5.091 -1.679 11.977 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -3.412 -1.345 11.541 1.00 0.00 H new ATOM 1465 N TYR A 93 -5.907 -5.166 6.719 1.00 0.00 N ATOM 1466 CA TYR A 93 -6.009 -6.564 6.345 1.00 0.00 C ATOM 1467 C TYR A 93 -4.710 -7.028 5.690 1.00 0.00 C ATOM 1468 O TYR A 93 -4.258 -8.147 5.922 1.00 0.00 O ATOM 1469 CB TYR A 93 -7.193 -6.780 5.408 1.00 0.00 C ATOM 1470 CG TYR A 93 -6.815 -7.414 4.094 1.00 0.00 C ATOM 1471 CD1 TYR A 93 -6.557 -8.774 4.007 1.00 0.00 C ATOM 1472 CD2 TYR A 93 -6.723 -6.652 2.941 1.00 0.00 C ATOM 1473 CE1 TYR A 93 -6.219 -9.357 2.804 1.00 0.00 C ATOM 1474 CE2 TYR A 93 -6.385 -7.226 1.734 1.00 0.00 C ATOM 1475 CZ TYR A 93 -6.135 -8.580 1.670 1.00 0.00 C ATOM 1476 OH TYR A 93 -5.806 -9.161 0.468 1.00 0.00 O ATOM 0 H TYR A 93 -6.409 -4.522 6.107 1.00 0.00 H new ATOM 0 HA TYR A 93 -6.175 -7.157 7.244 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -7.930 -7.409 5.907 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -7.672 -5.820 5.214 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -6.622 -9.386 4.895 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -6.919 -5.591 2.988 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -6.021 -10.417 2.751 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -6.316 -6.618 0.844 1.00 0.00 H new ATOM 0 HH TYR A 93 -6.281 -10.013 0.376 1.00 0.00 H new ATOM 1486 N HIS A 94 -4.092 -6.154 4.892 1.00 0.00 N ATOM 1487 CA HIS A 94 -2.830 -6.490 4.247 1.00 0.00 C ATOM 1488 C HIS A 94 -1.703 -6.382 5.263 1.00 0.00 C ATOM 1489 O HIS A 94 -0.632 -6.963 5.093 1.00 0.00 O ATOM 1490 CB HIS A 94 -2.565 -5.570 3.055 1.00 0.00 C ATOM 1491 CG HIS A 94 -2.835 -6.207 1.728 1.00 0.00 C ATOM 1492 ND1 HIS A 94 -2.299 -5.972 0.507 1.00 0.00 N flip ATOM 1493 CD2 HIS A 94 -3.763 -7.212 1.549 1.00 0.00 C flip ATOM 1494 CE1 HIS A 94 -2.906 -6.829 -0.377 1.00 0.00 C flip ATOM 1495 NE2 HIS A 94 -3.785 -7.566 0.276 1.00 0.00 N flip ATOM 0 H HIS A 94 -4.443 -5.220 4.681 1.00 0.00 H new ATOM 0 HA HIS A 94 -2.884 -7.512 3.872 1.00 0.00 H new ATOM 0 HB2 HIS A 94 -3.184 -4.678 3.152 1.00 0.00 H new ATOM 0 HB3 HIS A 94 -1.526 -5.242 3.085 1.00 0.00 H new ATOM 0 HD2 HIS A 94 -4.376 -7.642 2.327 1.00 0.00 H new ATOM 0 HE1 HIS A 94 -2.698 -6.890 -1.435 1.00 0.00 H new ATOM 0 HE2 HIS A 94 -4.380 -8.287 -0.133 1.00 0.00 H new ATOM 1504 N GLN A 95 -1.970 -5.630 6.327 1.00 0.00 N ATOM 1505 CA GLN A 95 -1.004 -5.429 7.398 1.00 0.00 C ATOM 1506 C GLN A 95 -1.096 -6.554 8.425 1.00 0.00 C ATOM 1507 O GLN A 95 -0.163 -6.783 9.195 1.00 0.00 O ATOM 1508 CB GLN A 95 -1.261 -4.089 8.089 1.00 0.00 C ATOM 1509 CG GLN A 95 -0.173 -3.055 7.856 1.00 0.00 C ATOM 1510 CD GLN A 95 -0.061 -2.059 8.994 1.00 0.00 C ATOM 1511 OE1 GLN A 95 -0.791 -0.955 8.888 1.00 0.00 O flip ATOM 1512 NE2 GLN A 95 0.672 -2.280 9.957 1.00 0.00 N flip ATOM 0 H GLN A 95 -2.857 -5.146 6.469 1.00 0.00 H new ATOM 0 HA GLN A 95 -0.005 -5.430 6.962 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -2.211 -3.687 7.738 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -1.363 -4.258 9.161 1.00 0.00 H new ATOM 0 HG2 GLN A 95 0.783 -3.562 7.727 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -0.378 -2.520 6.929 1.00 0.00 H new ATOM 0 HE21 GLN A 95 1.215 -3.142 9.997 1.00 0.00 H new ATOM 0 HE22 GLN A 95 0.736 -1.601 10.715 1.00 0.00 H new ATOM 1521 N TYR A 96 -2.235 -7.244 8.441 1.00 0.00 N ATOM 1522 CA TYR A 96 -2.457 -8.331 9.385 1.00 0.00 C ATOM 1523 C TYR A 96 -3.133 -9.523 8.719 1.00 0.00 C ATOM 1524 O TYR A 96 -4.166 -9.999 9.190 1.00 0.00 O ATOM 1525 CB TYR A 96 -3.326 -7.844 10.540 1.00 0.00 C ATOM 1526 CG TYR A 96 -2.740 -6.671 11.292 1.00 0.00 C ATOM 1527 CD1 TYR A 96 -2.702 -5.405 10.721 1.00 0.00 C ATOM 1528 CD2 TYR A 96 -2.225 -6.828 12.572 1.00 0.00 C ATOM 1529 CE1 TYR A 96 -2.167 -4.330 11.404 1.00 0.00 C ATOM 1530 CE2 TYR A 96 -1.689 -5.758 13.263 1.00 0.00 C ATOM 1531 CZ TYR A 96 -1.663 -4.511 12.674 1.00 0.00 C ATOM 1532 OH TYR A 96 -1.129 -3.443 13.358 1.00 0.00 O ATOM 0 H TYR A 96 -3.017 -7.068 7.810 1.00 0.00 H new ATOM 0 HA TYR A 96 -1.483 -8.651 9.756 1.00 0.00 H new ATOM 0 HB2 TYR A 96 -4.305 -7.562 10.152 1.00 0.00 H new ATOM 0 HB3 TYR A 96 -3.484 -8.668 11.236 1.00 0.00 H new ATOM 0 HD1 TYR A 96 -3.097 -5.259 9.727 1.00 0.00 H new ATOM 0 HD2 TYR A 96 -2.244 -7.803 13.036 1.00 0.00 H new ATOM 0 HE1 TYR A 96 -2.144 -3.353 10.945 1.00 0.00 H new ATOM 0 HE2 TYR A 96 -1.293 -5.897 14.258 1.00 0.00 H new ATOM 0 HH TYR A 96 -0.819 -3.741 14.239 1.00 0.00 H new ATOM 1542 N ASN A 97 -2.552 -10.010 7.632 1.00 0.00 N ATOM 1543 CA ASN A 97 -3.118 -11.153 6.929 1.00 0.00 C ATOM 1544 C ASN A 97 -2.095 -11.790 5.995 1.00 0.00 C ATOM 1545 O ASN A 97 -1.454 -12.782 6.345 1.00 0.00 O ATOM 1546 CB ASN A 97 -4.360 -10.733 6.141 1.00 0.00 C ATOM 1547 CG ASN A 97 -5.468 -11.763 6.215 1.00 0.00 C ATOM 1548 OD1 ASN A 97 -5.461 -12.754 5.485 1.00 0.00 O ATOM 1549 ND2 ASN A 97 -6.429 -11.533 7.102 1.00 0.00 N ATOM 0 H ASN A 97 -1.697 -9.636 7.220 1.00 0.00 H new ATOM 0 HA ASN A 97 -3.404 -11.895 7.675 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -4.726 -9.781 6.526 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -4.087 -10.571 5.098 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -7.202 -12.191 7.199 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -6.394 -10.698 7.687 1.00 0.00 H new ATOM 1556 N GLY A 98 -1.947 -11.217 4.806 1.00 0.00 N ATOM 1557 CA GLY A 98 -1.001 -11.744 3.841 1.00 0.00 C ATOM 1558 C GLY A 98 -1.518 -11.658 2.419 1.00 0.00 C ATOM 1559 O GLY A 98 -0.832 -12.053 1.476 1.00 0.00 O ATOM 0 H GLY A 98 -2.466 -10.396 4.493 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -0.063 -11.194 3.918 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -0.781 -12.784 4.082 1.00 0.00 H new ATOM 1563 N GLY A 99 -2.732 -11.139 2.266 1.00 0.00 N ATOM 1564 CA GLY A 99 -3.323 -11.011 0.947 1.00 0.00 C ATOM 1565 C GLY A 99 -2.648 -11.897 -0.081 1.00 0.00 C ATOM 1566 O GLY A 99 -3.100 -13.011 -0.343 1.00 0.00 O ATOM 0 H GLY A 99 -3.317 -10.805 3.032 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -4.382 -11.264 1.001 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -3.260 -9.972 0.624 1.00 0.00 H new ATOM 1570 N GLY A 100 -1.561 -11.401 -0.666 1.00 0.00 N ATOM 1571 CA GLY A 100 -0.840 -12.170 -1.664 1.00 0.00 C ATOM 1572 C GLY A 100 0.091 -11.312 -2.499 1.00 0.00 C ATOM 1573 O GLY A 100 -0.194 -11.025 -3.662 1.00 0.00 O ATOM 0 H GLY A 100 -1.167 -10.481 -0.467 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -0.263 -12.951 -1.169 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -1.554 -12.669 -2.319 1.00 0.00 H new ATOM 1577 N LEU A 101 1.207 -10.901 -1.905 1.00 0.00 N ATOM 1578 CA LEU A 101 2.184 -10.072 -2.601 1.00 0.00 C ATOM 1579 C LEU A 101 3.550 -10.163 -1.928 1.00 0.00 C ATOM 1580 O LEU A 101 3.743 -10.946 -0.999 1.00 0.00 O ATOM 1581 CB LEU A 101 1.714 -8.616 -2.633 1.00 0.00 C ATOM 1582 CG LEU A 101 0.243 -8.402 -2.272 1.00 0.00 C ATOM 1583 CD1 LEU A 101 0.021 -6.990 -1.754 1.00 0.00 C ATOM 1584 CD2 LEU A 101 -0.646 -8.677 -3.475 1.00 0.00 C ATOM 0 H LEU A 101 1.457 -11.129 -0.943 1.00 0.00 H new ATOM 0 HA LEU A 101 2.277 -10.440 -3.623 1.00 0.00 H new ATOM 0 HB2 LEU A 101 2.329 -8.036 -1.945 1.00 0.00 H new ATOM 0 HB3 LEU A 101 1.889 -8.216 -3.632 1.00 0.00 H new ATOM 0 HG LEU A 101 -0.023 -9.103 -1.481 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -1.031 -6.856 -1.502 1.00 0.00 H new ATOM 0 HD12 LEU A 101 0.630 -6.829 -0.865 1.00 0.00 H new ATOM 0 HD13 LEU A 101 0.304 -6.272 -2.523 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -1.689 -8.520 -3.200 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -0.379 -8.001 -4.287 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -0.508 -9.708 -3.801 1.00 0.00 H new ATOM 1596 N VAL A 102 4.495 -9.356 -2.402 1.00 0.00 N ATOM 1597 CA VAL A 102 5.842 -9.348 -1.842 1.00 0.00 C ATOM 1598 C VAL A 102 5.827 -9.789 -0.383 1.00 0.00 C ATOM 1599 O VAL A 102 6.754 -10.446 0.089 1.00 0.00 O ATOM 1600 CB VAL A 102 6.483 -7.951 -1.933 1.00 0.00 C ATOM 1601 CG1 VAL A 102 6.277 -7.355 -3.317 1.00 0.00 C ATOM 1602 CG2 VAL A 102 5.917 -7.033 -0.858 1.00 0.00 C ATOM 0 H VAL A 102 4.353 -8.701 -3.171 1.00 0.00 H new ATOM 0 HA VAL A 102 6.434 -10.049 -2.431 1.00 0.00 H new ATOM 0 HB VAL A 102 7.555 -8.053 -1.765 1.00 0.00 H new ATOM 0 HG11 VAL A 102 6.737 -6.368 -3.360 1.00 0.00 H new ATOM 0 HG12 VAL A 102 6.736 -8.003 -4.064 1.00 0.00 H new ATOM 0 HG13 VAL A 102 5.210 -7.267 -3.520 1.00 0.00 H new ATOM 0 HG21 VAL A 102 6.381 -6.050 -0.937 1.00 0.00 H new ATOM 0 HG22 VAL A 102 4.840 -6.937 -0.992 1.00 0.00 H new ATOM 0 HG23 VAL A 102 6.124 -7.454 0.126 1.00 0.00 H new ATOM 1612 N THR A 103 4.765 -9.421 0.323 1.00 0.00 N ATOM 1613 CA THR A 103 4.618 -9.771 1.729 1.00 0.00 C ATOM 1614 C THR A 103 3.570 -8.887 2.394 1.00 0.00 C ATOM 1615 O THR A 103 3.705 -8.517 3.560 1.00 0.00 O ATOM 1616 CB THR A 103 5.957 -9.632 2.456 1.00 0.00 C ATOM 1617 OG1 THR A 103 5.757 -9.271 3.811 1.00 0.00 O ATOM 1618 CG2 THR A 103 6.871 -8.596 1.836 1.00 0.00 C ATOM 0 H THR A 103 3.990 -8.878 -0.058 1.00 0.00 H new ATOM 0 HA THR A 103 4.290 -10.809 1.790 1.00 0.00 H new ATOM 0 HB THR A 103 6.433 -10.609 2.373 1.00 0.00 H new ATOM 0 HG1 THR A 103 4.844 -9.505 4.081 1.00 0.00 H new ATOM 0 HG21 THR A 103 7.802 -8.548 2.400 1.00 0.00 H new ATOM 0 HG22 THR A 103 7.086 -8.871 0.803 1.00 0.00 H new ATOM 0 HG23 THR A 103 6.384 -7.621 1.858 1.00 0.00 H new ATOM 1626 N ARG A 104 2.526 -8.551 1.642 1.00 0.00 N ATOM 1627 CA ARG A 104 1.455 -7.707 2.157 1.00 0.00 C ATOM 1628 C ARG A 104 2.020 -6.602 3.040 1.00 0.00 C ATOM 1629 O ARG A 104 3.236 -6.443 3.149 1.00 0.00 O ATOM 1630 CB ARG A 104 0.457 -8.548 2.952 1.00 0.00 C ATOM 1631 CG ARG A 104 1.093 -9.314 4.098 1.00 0.00 C ATOM 1632 CD ARG A 104 0.141 -9.449 5.276 1.00 0.00 C ATOM 1633 NE ARG A 104 0.411 -10.648 6.064 1.00 0.00 N ATOM 1634 CZ ARG A 104 1.107 -10.643 7.196 1.00 0.00 C ATOM 1635 NH1 ARG A 104 1.600 -9.506 7.669 1.00 0.00 N ATOM 1636 NH2 ARG A 104 1.311 -11.775 7.857 1.00 0.00 N ATOM 0 H ARG A 104 2.400 -8.850 0.675 1.00 0.00 H new ATOM 0 HA ARG A 104 0.942 -7.249 1.311 1.00 0.00 H new ATOM 0 HB2 ARG A 104 -0.322 -7.896 3.348 1.00 0.00 H new ATOM 0 HB3 ARG A 104 -0.030 -9.254 2.279 1.00 0.00 H new ATOM 0 HG2 ARG A 104 1.390 -10.305 3.754 1.00 0.00 H new ATOM 0 HG3 ARG A 104 2.000 -8.803 4.419 1.00 0.00 H new ATOM 0 HD2 ARG A 104 0.227 -8.569 5.914 1.00 0.00 H new ATOM 0 HD3 ARG A 104 -0.886 -9.479 4.911 1.00 0.00 H new ATOM 0 HE ARG A 104 0.045 -11.539 5.727 1.00 0.00 H new ATOM 0 HH11 ARG A 104 1.445 -8.634 7.164 1.00 0.00 H new ATOM 0 HH12 ARG A 104 2.134 -9.504 8.538 1.00 0.00 H new ATOM 0 HH21 ARG A 104 0.933 -12.651 7.496 1.00 0.00 H new ATOM 0 HH22 ARG A 104 1.846 -11.769 8.726 1.00 0.00 H new ATOM 1650 N LEU A 105 1.134 -5.844 3.676 1.00 0.00 N ATOM 1651 CA LEU A 105 1.556 -4.762 4.554 1.00 0.00 C ATOM 1652 C LEU A 105 2.451 -5.277 5.672 1.00 0.00 C ATOM 1653 O LEU A 105 2.105 -5.188 6.850 1.00 0.00 O ATOM 1654 CB LEU A 105 0.345 -4.036 5.140 1.00 0.00 C ATOM 1655 CG LEU A 105 -0.285 -3.001 4.220 1.00 0.00 C ATOM 1656 CD1 LEU A 105 0.497 -2.903 2.932 1.00 0.00 C ATOM 1657 CD2 LEU A 105 -1.731 -3.330 3.936 1.00 0.00 C ATOM 0 H LEU A 105 0.123 -5.959 3.600 1.00 0.00 H new ATOM 0 HA LEU A 105 2.131 -4.056 3.955 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -0.411 -4.775 5.404 1.00 0.00 H new ATOM 0 HB3 LEU A 105 0.646 -3.544 6.065 1.00 0.00 H new ATOM 0 HG LEU A 105 -0.255 -2.036 4.725 1.00 0.00 H new ATOM 0 HD11 LEU A 105 0.036 -2.159 2.282 1.00 0.00 H new ATOM 0 HD12 LEU A 105 1.523 -2.608 3.151 1.00 0.00 H new ATOM 0 HD13 LEU A 105 0.497 -3.871 2.432 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -2.154 -2.572 3.276 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -1.794 -4.306 3.455 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -2.290 -3.349 4.871 1.00 0.00 H new ATOM 1669 N ARG A 106 3.609 -5.807 5.295 1.00 0.00 N ATOM 1670 CA ARG A 106 4.560 -6.324 6.268 1.00 0.00 C ATOM 1671 C ARG A 106 4.924 -5.242 7.277 1.00 0.00 C ATOM 1672 O ARG A 106 5.084 -5.514 8.467 1.00 0.00 O ATOM 1673 CB ARG A 106 5.821 -6.822 5.564 1.00 0.00 C ATOM 1674 CG ARG A 106 6.565 -7.899 6.337 1.00 0.00 C ATOM 1675 CD ARG A 106 7.078 -7.375 7.669 1.00 0.00 C ATOM 1676 NE ARG A 106 7.864 -8.377 8.384 1.00 0.00 N ATOM 1677 CZ ARG A 106 7.814 -8.548 9.701 1.00 0.00 C ATOM 1678 NH1 ARG A 106 7.019 -7.787 10.441 1.00 0.00 N ATOM 1679 NH2 ARG A 106 8.558 -9.481 10.279 1.00 0.00 N ATOM 0 H ARG A 106 3.910 -5.889 4.324 1.00 0.00 H new ATOM 0 HA ARG A 106 4.096 -7.158 6.795 1.00 0.00 H new ATOM 0 HB2 ARG A 106 5.549 -7.213 4.583 1.00 0.00 H new ATOM 0 HB3 ARG A 106 6.491 -5.978 5.397 1.00 0.00 H new ATOM 0 HG2 ARG A 106 5.903 -8.748 6.509 1.00 0.00 H new ATOM 0 HG3 ARG A 106 7.402 -8.263 5.741 1.00 0.00 H new ATOM 0 HD2 ARG A 106 7.689 -6.488 7.499 1.00 0.00 H new ATOM 0 HD3 ARG A 106 6.234 -7.067 8.287 1.00 0.00 H new ATOM 0 HE ARG A 106 8.485 -8.978 7.843 1.00 0.00 H new ATOM 0 HH11 ARG A 106 6.445 -7.069 9.999 1.00 0.00 H new ATOM 0 HH12 ARG A 106 6.982 -7.920 11.452 1.00 0.00 H new ATOM 0 HH21 ARG A 106 9.170 -10.069 9.713 1.00 0.00 H new ATOM 0 HH22 ARG A 106 8.519 -9.611 11.290 1.00 0.00 H new ATOM 1693 N TYR A 107 5.052 -4.013 6.789 1.00 0.00 N ATOM 1694 CA TYR A 107 5.395 -2.884 7.644 1.00 0.00 C ATOM 1695 C TYR A 107 5.315 -1.568 6.879 1.00 0.00 C ATOM 1696 O TYR A 107 6.229 -1.213 6.134 1.00 0.00 O ATOM 1697 CB TYR A 107 6.801 -3.056 8.218 1.00 0.00 C ATOM 1698 CG TYR A 107 7.162 -2.001 9.237 1.00 0.00 C ATOM 1699 CD1 TYR A 107 6.574 -1.999 10.494 1.00 0.00 C ATOM 1700 CD2 TYR A 107 8.081 -1.004 8.940 1.00 0.00 C ATOM 1701 CE1 TYR A 107 6.892 -1.034 11.428 1.00 0.00 C ATOM 1702 CE2 TYR A 107 8.407 -0.035 9.869 1.00 0.00 C ATOM 1703 CZ TYR A 107 7.809 -0.054 11.112 1.00 0.00 C ATOM 1704 OH TYR A 107 8.129 0.910 12.040 1.00 0.00 O ATOM 0 H TYR A 107 4.923 -3.774 5.806 1.00 0.00 H new ATOM 0 HA TYR A 107 4.672 -2.857 8.459 1.00 0.00 H new ATOM 0 HB2 TYR A 107 6.880 -4.040 8.680 1.00 0.00 H new ATOM 0 HB3 TYR A 107 7.525 -3.028 7.403 1.00 0.00 H new ATOM 0 HD1 TYR A 107 5.856 -2.765 10.746 1.00 0.00 H new ATOM 0 HD2 TYR A 107 8.549 -0.986 7.967 1.00 0.00 H new ATOM 0 HE1 TYR A 107 6.425 -1.046 12.402 1.00 0.00 H new ATOM 0 HE2 TYR A 107 9.126 0.733 9.624 1.00 0.00 H new ATOM 0 HH TYR A 107 8.791 1.524 11.659 1.00 0.00 H new ATOM 1714 N PRO A 108 4.216 -0.820 7.054 1.00 0.00 N ATOM 1715 CA PRO A 108 4.025 0.466 6.383 1.00 0.00 C ATOM 1716 C PRO A 108 5.184 1.428 6.646 1.00 0.00 C ATOM 1717 O PRO A 108 5.792 1.403 7.717 1.00 0.00 O ATOM 1718 CB PRO A 108 2.719 1.001 6.988 1.00 0.00 C ATOM 1719 CG PRO A 108 2.481 0.183 8.210 1.00 0.00 C ATOM 1720 CD PRO A 108 3.077 -1.160 7.916 1.00 0.00 C ATOM 0 HA PRO A 108 3.985 0.362 5.299 1.00 0.00 H new ATOM 0 HB2 PRO A 108 2.806 2.059 7.235 1.00 0.00 H new ATOM 0 HB3 PRO A 108 1.892 0.905 6.284 1.00 0.00 H new ATOM 0 HG2 PRO A 108 2.949 0.637 9.083 1.00 0.00 H new ATOM 0 HG3 PRO A 108 1.416 0.101 8.426 1.00 0.00 H new ATOM 0 HD2 PRO A 108 3.394 -1.671 8.825 1.00 0.00 H new ATOM 0 HD3 PRO A 108 2.368 -1.817 7.412 1.00 0.00 H new ATOM 1728 N VAL A 109 5.496 2.263 5.657 1.00 0.00 N ATOM 1729 CA VAL A 109 6.584 3.218 5.767 1.00 0.00 C ATOM 1730 C VAL A 109 6.111 4.631 5.446 1.00 0.00 C ATOM 1731 O VAL A 109 5.110 4.818 4.755 1.00 0.00 O ATOM 1732 CB VAL A 109 7.724 2.856 4.806 1.00 0.00 C ATOM 1733 CG1 VAL A 109 8.485 1.638 5.306 1.00 0.00 C ATOM 1734 CG2 VAL A 109 7.180 2.621 3.405 1.00 0.00 C ATOM 0 H VAL A 109 5.003 2.293 4.765 1.00 0.00 H new ATOM 0 HA VAL A 109 6.941 3.180 6.796 1.00 0.00 H new ATOM 0 HB VAL A 109 8.422 3.692 4.766 1.00 0.00 H new ATOM 0 HG11 VAL A 109 9.288 1.400 4.609 1.00 0.00 H new ATOM 0 HG12 VAL A 109 8.908 1.851 6.288 1.00 0.00 H new ATOM 0 HG13 VAL A 109 7.805 0.789 5.380 1.00 0.00 H new ATOM 0 HG21 VAL A 109 8.000 2.365 2.734 1.00 0.00 H new ATOM 0 HG22 VAL A 109 6.460 1.803 3.427 1.00 0.00 H new ATOM 0 HG23 VAL A 109 6.689 3.527 3.049 1.00 0.00 H new ATOM 1744 N CYS A 110 6.841 5.622 5.943 1.00 0.00 N ATOM 1745 CA CYS A 110 6.497 7.016 5.701 1.00 0.00 C ATOM 1746 C CYS A 110 7.750 7.853 5.474 1.00 0.00 C ATOM 1747 O CYS A 110 8.306 8.426 6.411 1.00 0.00 O ATOM 1748 CB CYS A 110 5.695 7.578 6.876 1.00 0.00 C ATOM 1749 SG CYS A 110 6.061 9.307 7.260 1.00 0.00 S ATOM 0 H CYS A 110 7.674 5.486 6.515 1.00 0.00 H new ATOM 0 HA CYS A 110 5.885 7.063 4.801 1.00 0.00 H new ATOM 0 HB2 CYS A 110 4.632 7.483 6.655 1.00 0.00 H new ATOM 0 HB3 CYS A 110 5.892 6.971 7.760 1.00 0.00 H new ATOM 0 HG CYS A 110 7.345 9.503 7.199 1.00 0.00 H new ATOM 1755 N GLY A 111 8.189 7.918 4.222 1.00 0.00 N ATOM 1756 CA GLY A 111 9.375 8.687 3.890 1.00 0.00 C ATOM 1757 C GLY A 111 9.054 9.927 3.080 1.00 0.00 C ATOM 1758 O GLY A 111 9.353 9.991 1.887 1.00 0.00 O ATOM 0 H GLY A 111 7.745 7.452 3.431 1.00 0.00 H new ATOM 0 HA2 GLY A 111 9.884 8.979 4.809 1.00 0.00 H new ATOM 0 HA3 GLY A 111 10.066 8.059 3.328 1.00 0.00 H new HETATM 1762 N NH2 A 112 8.442 10.919 3.718 1.00 0.00 N TER 1765 NH2 A 112