USER MOD reduce.3.24.130724 H: found=0, std=0, add=877, rem=0, adj=41 USER MOD reduce.3.24.130724 removed 877 hydrogens (5 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 81 LYS NZ :NH3+ -160:sc= -2.44! (180deg=-4.3!) USER MOD Set 1.2: A 93 TYR OH : rot 59:sc= -12.6! USER MOD Set 1.3: A 94 HIS :FLIP no HE2:sc= -31.3! C(o=-49!,f=-46!) USER MOD Set 2.1: A 92 GLN :FLIP amide:sc= -3.76! C(o=-19!,f=-14!) USER MOD Set 2.2: A 95 GLN : amide:sc= -10.4! C(o=-14!,f=-14!) USER MOD Set 3.1: A 62 LYS NZ :NH3+ 137:sc= -0.845! (180deg=-2.51!) USER MOD Set 3.2: A 64 TYR OH : rot -70:sc= -6.04! USER MOD Set 4.1: A 51 THR OG1 : rot 180:sc= 0 USER MOD Set 4.2: A 52 LYS NZ :NH3+ 148:sc= -0.272 (180deg=-0.407) USER MOD Set 5.1: A 39 SER OG : rot -176:sc= 0.444 USER MOD Set 5.2: A 44 THR OG1 : rot -159:sc= -2.83! USER MOD Set 5.3: A 46 THR OG1 : rot 69:sc= -3.35! USER MOD Set 5.4: A 65 HIS : no HE2:sc= -23.1! C(o=-29!,f=-45!) USER MOD Set 6.1: A 13 ASN :FLIP amide:sc= -12.3! C(o=-33!,f=-29!) USER MOD Set 6.2: A 35 MET CE :methyl -159:sc= -16.3! (180deg=-16.6!) USER MOD Single : A 4 ASN : amide:sc= -2.45! C(o=-2.4!,f=-3.6!) USER MOD Single : A 5 ASN : amide:sc= -2.37! C(o=-2.4!,f=-2.3!) USER MOD Single : A 8 THR OG1 : rot -19:sc= 0.239 USER MOD Single : A 9 TYR OH : rot 150:sc= -1.28 USER MOD Single : A 12 TYR OH : rot 43:sc= -1.19 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ -115:sc= -2.85! (180deg=-10.2!) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 THR OG1 : rot 180:sc= -0.569 USER MOD Single : A 30 LYS NZ :NH3+ -109:sc= -3.17! (180deg=-8.36!) USER MOD Single : A 41 THR OG1 : rot -170:sc= -7.68! USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot -47:sc= -6.46! USER MOD Single : A 56 SER OG : rot 180:sc= 0.043 USER MOD Single : A 58 ASN :FLIP amide:sc= -0.118 F(o=-0.84,f=-0.12) USER MOD Single : A 60 CYS SG : rot 180:sc= -0.142 USER MOD Single : A 63 HIS : no HE2:sc= -18.7! C(o=-19!,f=-24!) USER MOD Single : A 67 LYS NZ :NH3+ -121:sc= -0.619 (180deg=-2.06!) USER MOD Single : A 69 THR OG1 : rot -128:sc= -0.209 USER MOD Single : A 70 ASN : amide:sc= -2.1! C(o=-2.1!,f=-1.8!) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 TYR OH : rot 180:sc=-0.00597 USER MOD Single : A 77 TYR OH : rot 150:sc= -0.447 USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot -69:sc= -5.69! USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 ASN :FLIP amide:sc= -6.08! C(o=-7.6!,f=-6.1!) USER MOD Single : A 103 THR OG1 : rot -53:sc= -1.27 USER MOD Single : A 107 TYR OH : rot -155:sc= -1.99! USER MOD Single : A 110 CYS SG : rot -51:sc= 0.451! USER MOD ----------------------------------------------------------------- HETATM 1 C ACE A 3 -12.358 11.030 9.192 1.00 0.00 C HETATM 2 O ACE A 3 -11.650 10.864 10.185 1.00 0.00 O HETATM 3 CH3 ACE A 3 -13.431 12.089 9.177 1.00 0.00 C HETATM 0 H1 ACE A 3 -13.230 12.799 8.375 1.00 0.00 H new HETATM 0 H2 ACE A 3 -14.402 11.621 9.013 1.00 0.00 H new HETATM 0 H3 ACE A 3 -13.438 12.614 10.132 1.00 0.00 H new ATOM 7 N ASN A 4 -12.235 10.303 8.086 1.00 0.00 N ATOM 8 CA ASN A 4 -11.237 9.246 7.973 1.00 0.00 C ATOM 9 C ASN A 4 -9.931 9.789 7.403 1.00 0.00 C ATOM 10 O ASN A 4 -9.094 10.318 8.135 1.00 0.00 O ATOM 11 CB ASN A 4 -11.761 8.114 7.089 1.00 0.00 C ATOM 12 CG ASN A 4 -12.544 8.625 5.896 1.00 0.00 C ATOM 13 OD1 ASN A 4 -12.056 8.615 4.766 1.00 0.00 O ATOM 14 ND2 ASN A 4 -13.767 9.079 6.143 1.00 0.00 N ATOM 0 H ASN A 4 -12.814 10.427 7.255 1.00 0.00 H new ATOM 0 HA ASN A 4 -11.042 8.857 8.972 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -10.922 7.513 6.739 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -12.397 7.458 7.683 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -14.341 9.438 5.380 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -14.132 9.069 7.095 1.00 0.00 H new ATOM 21 N ASN A 5 -9.764 9.655 6.091 1.00 0.00 N ATOM 22 CA ASN A 5 -8.560 10.132 5.421 1.00 0.00 C ATOM 23 C ASN A 5 -7.321 9.430 5.963 1.00 0.00 C ATOM 24 O ASN A 5 -6.720 9.878 6.939 1.00 0.00 O ATOM 25 CB ASN A 5 -8.419 11.645 5.594 1.00 0.00 C ATOM 26 CG ASN A 5 -9.675 12.283 6.154 1.00 0.00 C ATOM 27 OD1 ASN A 5 -10.734 12.250 5.528 1.00 0.00 O ATOM 28 ND2 ASN A 5 -9.561 12.869 7.340 1.00 0.00 N ATOM 0 H ASN A 5 -10.447 9.220 5.471 1.00 0.00 H new ATOM 0 HA ASN A 5 -8.651 9.902 4.360 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -7.581 11.855 6.258 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -8.183 12.098 4.631 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -10.372 13.316 7.768 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -8.663 12.872 7.823 1.00 0.00 H new ATOM 35 N LEU A 6 -6.943 8.330 5.324 1.00 0.00 N ATOM 36 CA LEU A 6 -5.771 7.567 5.740 1.00 0.00 C ATOM 37 C LEU A 6 -4.834 8.425 6.581 1.00 0.00 C ATOM 38 O LEU A 6 -5.096 8.685 7.755 1.00 0.00 O ATOM 39 CB LEU A 6 -5.027 7.031 4.517 1.00 0.00 C ATOM 40 CG LEU A 6 -5.853 6.135 3.596 1.00 0.00 C ATOM 41 CD1 LEU A 6 -4.979 5.047 2.998 1.00 0.00 C ATOM 42 CD2 LEU A 6 -7.019 5.524 4.354 1.00 0.00 C ATOM 0 H LEU A 6 -7.431 7.945 4.515 1.00 0.00 H new ATOM 0 HA LEU A 6 -6.111 6.729 6.348 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -4.656 7.876 3.938 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -4.156 6.471 4.858 1.00 0.00 H new ATOM 0 HG LEU A 6 -6.252 6.744 2.785 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -5.580 4.416 2.344 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -4.173 5.503 2.422 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -4.555 4.440 3.798 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -7.597 4.889 3.683 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -6.641 4.926 5.183 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -7.658 6.318 4.741 1.00 0.00 H new ATOM 54 N GLU A 7 -3.739 8.861 5.969 1.00 0.00 N ATOM 55 CA GLU A 7 -2.756 9.689 6.652 1.00 0.00 C ATOM 56 C GLU A 7 -2.683 9.342 8.131 1.00 0.00 C ATOM 57 O GLU A 7 -3.411 9.903 8.951 1.00 0.00 O ATOM 58 CB GLU A 7 -3.094 11.168 6.476 1.00 0.00 C ATOM 59 CG GLU A 7 -4.586 11.439 6.414 1.00 0.00 C ATOM 60 CD GLU A 7 -4.915 12.730 5.691 1.00 0.00 C ATOM 61 OE1 GLU A 7 -4.610 13.811 6.238 1.00 0.00 O ATOM 62 OE2 GLU A 7 -5.477 12.661 4.578 1.00 0.00 O ATOM 0 H GLU A 7 -3.510 8.653 4.997 1.00 0.00 H new ATOM 0 HA GLU A 7 -1.781 9.492 6.206 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -2.663 11.733 7.303 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -2.627 11.534 5.562 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -5.082 10.609 5.911 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -4.986 11.482 7.427 1.00 0.00 H new ATOM 69 N THR A 8 -1.795 8.415 8.459 1.00 0.00 N ATOM 70 CA THR A 8 -1.608 7.978 9.836 1.00 0.00 C ATOM 71 C THR A 8 -1.065 6.554 9.884 1.00 0.00 C ATOM 72 O THR A 8 -0.590 6.097 10.924 1.00 0.00 O ATOM 73 CB THR A 8 -2.926 8.056 10.602 1.00 0.00 C ATOM 74 OG1 THR A 8 -2.755 7.632 11.943 1.00 0.00 O ATOM 75 CG2 THR A 8 -4.025 7.213 9.991 1.00 0.00 C ATOM 0 H THR A 8 -1.188 7.948 7.785 1.00 0.00 H new ATOM 0 HA THR A 8 -0.883 8.643 10.306 1.00 0.00 H new ATOM 0 HB THR A 8 -3.224 9.103 10.555 1.00 0.00 H new ATOM 0 HG1 THR A 8 -1.936 7.099 12.016 1.00 0.00 H new ATOM 0 HG21 THR A 8 -4.934 7.314 10.584 1.00 0.00 H new ATOM 0 HG22 THR A 8 -4.218 7.549 8.972 1.00 0.00 H new ATOM 0 HG23 THR A 8 -3.716 6.168 9.976 1.00 0.00 H new ATOM 83 N TYR A 9 -1.143 5.856 8.756 1.00 0.00 N ATOM 84 CA TYR A 9 -0.666 4.483 8.677 1.00 0.00 C ATOM 85 C TYR A 9 0.804 4.424 8.310 1.00 0.00 C ATOM 86 O TYR A 9 1.241 5.050 7.343 1.00 0.00 O ATOM 87 CB TYR A 9 -1.485 3.700 7.658 1.00 0.00 C ATOM 88 CG TYR A 9 -2.958 3.751 7.968 1.00 0.00 C ATOM 89 CD1 TYR A 9 -3.494 2.951 8.966 1.00 0.00 C ATOM 90 CD2 TYR A 9 -3.809 4.615 7.288 1.00 0.00 C ATOM 91 CE1 TYR A 9 -4.834 3.005 9.280 1.00 0.00 C ATOM 92 CE2 TYR A 9 -5.155 4.671 7.594 1.00 0.00 C ATOM 93 CZ TYR A 9 -5.662 3.865 8.591 1.00 0.00 C ATOM 94 OH TYR A 9 -7.001 3.922 8.902 1.00 0.00 O ATOM 0 H TYR A 9 -1.532 6.219 7.886 1.00 0.00 H new ATOM 0 HA TYR A 9 -0.786 4.034 9.663 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -1.309 4.105 6.661 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -1.152 2.662 7.644 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -2.849 2.274 9.507 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -3.413 5.251 6.510 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -5.234 2.377 10.062 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -5.807 5.343 7.055 1.00 0.00 H new ATOM 0 HH TYR A 9 -7.340 4.824 8.722 1.00 0.00 H new ATOM 104 N GLU A 10 1.564 3.658 9.078 1.00 0.00 N ATOM 105 CA GLU A 10 2.983 3.505 8.821 1.00 0.00 C ATOM 106 C GLU A 10 3.230 3.354 7.329 1.00 0.00 C ATOM 107 O GLU A 10 4.339 3.574 6.847 1.00 0.00 O ATOM 108 CB GLU A 10 3.521 2.277 9.560 1.00 0.00 C ATOM 109 CG GLU A 10 4.621 1.544 8.810 1.00 0.00 C ATOM 110 CD GLU A 10 5.839 1.280 9.673 1.00 0.00 C ATOM 111 OE1 GLU A 10 5.708 0.550 10.678 1.00 0.00 O ATOM 112 OE2 GLU A 10 6.924 1.804 9.345 1.00 0.00 O ATOM 0 H GLU A 10 1.220 3.134 9.883 1.00 0.00 H new ATOM 0 HA GLU A 10 3.502 4.394 9.180 1.00 0.00 H new ATOM 0 HB2 GLU A 10 3.902 2.588 10.533 1.00 0.00 H new ATOM 0 HB3 GLU A 10 2.698 1.587 9.746 1.00 0.00 H new ATOM 0 HG2 GLU A 10 4.232 0.596 8.437 1.00 0.00 H new ATOM 0 HG3 GLU A 10 4.917 2.131 7.941 1.00 0.00 H new ATOM 119 N TRP A 11 2.190 2.950 6.605 1.00 0.00 N ATOM 120 CA TRP A 11 2.297 2.736 5.172 1.00 0.00 C ATOM 121 C TRP A 11 1.847 3.941 4.350 1.00 0.00 C ATOM 122 O TRP A 11 2.392 4.200 3.278 1.00 0.00 O ATOM 123 CB TRP A 11 1.459 1.527 4.783 1.00 0.00 C ATOM 124 CG TRP A 11 0.156 1.427 5.530 1.00 0.00 C ATOM 125 CD1 TRP A 11 -0.100 0.713 6.669 1.00 0.00 C ATOM 126 CD2 TRP A 11 -1.083 2.041 5.163 1.00 0.00 C ATOM 127 NE1 TRP A 11 -1.420 0.847 7.026 1.00 0.00 N ATOM 128 CE2 TRP A 11 -2.043 1.660 6.118 1.00 0.00 C ATOM 129 CE3 TRP A 11 -1.471 2.877 4.121 1.00 0.00 C ATOM 130 CZ2 TRP A 11 -3.366 2.087 6.054 1.00 0.00 C ATOM 131 CZ3 TRP A 11 -2.783 3.302 4.056 1.00 0.00 C ATOM 132 CH2 TRP A 11 -3.718 2.904 5.018 1.00 0.00 C ATOM 0 H TRP A 11 1.264 2.765 6.991 1.00 0.00 H new ATOM 0 HA TRP A 11 3.352 2.573 4.951 1.00 0.00 H new ATOM 0 HB2 TRP A 11 1.252 1.569 3.714 1.00 0.00 H new ATOM 0 HB3 TRP A 11 2.039 0.622 4.960 1.00 0.00 H new ATOM 0 HD1 TRP A 11 0.630 0.129 7.209 1.00 0.00 H new ATOM 0 HE1 TRP A 11 -1.863 0.412 7.835 1.00 0.00 H new ATOM 0 HE3 TRP A 11 -0.756 3.189 3.374 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 -4.088 1.783 6.797 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 -3.092 3.951 3.250 1.00 0.00 H new ATOM 0 HH2 TRP A 11 -4.738 3.250 4.940 1.00 0.00 H new ATOM 143 N TYR A 12 0.831 4.652 4.820 1.00 0.00 N ATOM 144 CA TYR A 12 0.308 5.791 4.072 1.00 0.00 C ATOM 145 C TYR A 12 1.308 6.928 3.937 1.00 0.00 C ATOM 146 O TYR A 12 2.036 7.261 4.872 1.00 0.00 O ATOM 147 CB TYR A 12 -0.976 6.326 4.695 1.00 0.00 C ATOM 148 CG TYR A 12 -1.706 7.285 3.781 1.00 0.00 C ATOM 149 CD1 TYR A 12 -2.435 6.814 2.699 1.00 0.00 C ATOM 150 CD2 TYR A 12 -1.664 8.658 3.994 1.00 0.00 C ATOM 151 CE1 TYR A 12 -3.102 7.680 1.855 1.00 0.00 C ATOM 152 CE2 TYR A 12 -2.328 9.531 3.155 1.00 0.00 C ATOM 153 CZ TYR A 12 -3.047 9.038 2.087 1.00 0.00 C ATOM 154 OH TYR A 12 -3.710 9.903 1.249 1.00 0.00 O ATOM 0 H TYR A 12 0.357 4.465 5.704 1.00 0.00 H new ATOM 0 HA TYR A 12 0.100 5.409 3.073 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -1.633 5.491 4.940 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -0.739 6.831 5.632 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -2.482 5.751 2.513 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -1.103 9.049 4.830 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -3.664 7.295 1.017 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -2.284 10.595 3.335 1.00 0.00 H new ATOM 0 HH TYR A 12 -4.600 9.545 1.047 1.00 0.00 H new ATOM 164 N ASN A 13 1.302 7.531 2.754 1.00 0.00 N ATOM 165 CA ASN A 13 2.168 8.657 2.445 1.00 0.00 C ATOM 166 C ASN A 13 1.377 9.732 1.703 1.00 0.00 C ATOM 167 O ASN A 13 0.762 9.458 0.673 1.00 0.00 O ATOM 168 CB ASN A 13 3.352 8.196 1.602 1.00 0.00 C ATOM 169 CG ASN A 13 4.659 8.774 2.097 1.00 0.00 C ATOM 170 OD1 ASN A 13 5.492 7.923 2.678 1.00 0.00 O flip ATOM 171 ND2 ASN A 13 4.916 9.970 1.961 1.00 0.00 N flip ATOM 0 H ASN A 13 0.695 7.251 1.983 1.00 0.00 H new ATOM 0 HA ASN A 13 2.548 9.077 3.376 1.00 0.00 H new ATOM 0 HB2 ASN A 13 3.407 7.108 1.619 1.00 0.00 H new ATOM 0 HB3 ASN A 13 3.195 8.491 0.564 1.00 0.00 H new ATOM 0 HD21 ASN A 13 4.243 10.588 1.507 1.00 0.00 H new ATOM 0 HD22 ASN A 13 5.802 10.343 2.302 1.00 0.00 H new ATOM 178 N LYS A 14 1.374 10.949 2.240 1.00 0.00 N ATOM 179 CA LYS A 14 0.634 12.044 1.632 1.00 0.00 C ATOM 180 C LYS A 14 1.480 12.787 0.600 1.00 0.00 C ATOM 181 O LYS A 14 1.278 12.639 -0.606 1.00 0.00 O ATOM 182 CB LYS A 14 0.161 13.011 2.716 1.00 0.00 C ATOM 183 CG LYS A 14 0.588 14.447 2.486 1.00 0.00 C ATOM 184 CD LYS A 14 -0.434 15.430 3.036 1.00 0.00 C ATOM 185 CE LYS A 14 -1.782 15.274 2.351 1.00 0.00 C ATOM 186 NZ LYS A 14 -1.857 16.055 1.086 1.00 0.00 N ATOM 0 H LYS A 14 1.875 11.199 3.093 1.00 0.00 H new ATOM 0 HA LYS A 14 -0.228 11.624 1.114 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -0.927 12.971 2.776 1.00 0.00 H new ATOM 0 HB3 LYS A 14 0.546 12.678 3.680 1.00 0.00 H new ATOM 0 HG2 LYS A 14 1.553 14.621 2.962 1.00 0.00 H new ATOM 0 HG3 LYS A 14 0.723 14.621 1.418 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -0.550 15.274 4.109 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -0.071 16.449 2.899 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -1.961 14.220 2.138 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -2.572 15.601 3.027 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -2.792 15.921 0.650 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -1.712 17.064 1.292 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -1.120 15.726 0.431 1.00 0.00 H new ATOM 200 N SER A 15 2.422 13.591 1.083 1.00 0.00 N ATOM 201 CA SER A 15 3.295 14.367 0.203 1.00 0.00 C ATOM 202 C SER A 15 4.004 13.462 -0.800 1.00 0.00 C ATOM 203 O SER A 15 4.627 13.936 -1.750 1.00 0.00 O ATOM 204 CB SER A 15 4.325 15.140 1.027 1.00 0.00 C ATOM 205 OG SER A 15 3.692 16.006 1.953 1.00 0.00 O ATOM 0 H SER A 15 2.602 13.724 2.078 1.00 0.00 H new ATOM 0 HA SER A 15 2.676 15.074 -0.350 1.00 0.00 H new ATOM 0 HB2 SER A 15 4.968 14.440 1.560 1.00 0.00 H new ATOM 0 HB3 SER A 15 4.966 15.719 0.363 1.00 0.00 H new ATOM 0 HG SER A 15 4.372 16.487 2.469 1.00 0.00 H new ATOM 211 N ILE A 16 3.918 12.160 -0.567 1.00 0.00 N ATOM 212 CA ILE A 16 4.553 11.175 -1.414 1.00 0.00 C ATOM 213 C ILE A 16 4.051 11.197 -2.850 1.00 0.00 C ATOM 214 O ILE A 16 2.980 11.720 -3.155 1.00 0.00 O ATOM 215 CB ILE A 16 4.287 9.776 -0.860 1.00 0.00 C ATOM 216 CG1 ILE A 16 5.589 9.069 -0.581 1.00 0.00 C ATOM 217 CG2 ILE A 16 3.449 8.964 -1.834 1.00 0.00 C ATOM 218 CD1 ILE A 16 5.564 7.618 -1.009 1.00 0.00 C ATOM 0 H ILE A 16 3.403 11.762 0.218 1.00 0.00 H new ATOM 0 HA ILE A 16 5.615 11.422 -1.419 1.00 0.00 H new ATOM 0 HB ILE A 16 3.732 9.876 0.073 1.00 0.00 H new ATOM 0 HG12 ILE A 16 6.397 9.584 -1.101 1.00 0.00 H new ATOM 0 HG13 ILE A 16 5.809 9.126 0.485 1.00 0.00 H new ATOM 0 HG21 ILE A 16 3.271 7.971 -1.421 1.00 0.00 H new ATOM 0 HG22 ILE A 16 2.495 9.465 -1.999 1.00 0.00 H new ATOM 0 HG23 ILE A 16 3.979 8.873 -2.782 1.00 0.00 H new ATOM 0 HD11 ILE A 16 6.526 7.156 -0.786 1.00 0.00 H new ATOM 0 HD12 ILE A 16 4.775 7.093 -0.470 1.00 0.00 H new ATOM 0 HD13 ILE A 16 5.373 7.558 -2.080 1.00 0.00 H new ATOM 230 N SER A 17 4.842 10.569 -3.712 1.00 0.00 N ATOM 231 CA SER A 17 4.524 10.434 -5.122 1.00 0.00 C ATOM 232 C SER A 17 4.577 8.955 -5.489 1.00 0.00 C ATOM 233 O SER A 17 4.588 8.097 -4.607 1.00 0.00 O ATOM 234 CB SER A 17 5.513 11.229 -5.976 1.00 0.00 C ATOM 235 OG SER A 17 5.006 12.517 -6.276 1.00 0.00 O ATOM 0 H SER A 17 5.727 10.137 -3.447 1.00 0.00 H new ATOM 0 HA SER A 17 3.526 10.830 -5.313 1.00 0.00 H new ATOM 0 HB2 SER A 17 6.462 11.322 -5.448 1.00 0.00 H new ATOM 0 HB3 SER A 17 5.715 10.690 -6.901 1.00 0.00 H new ATOM 0 HG SER A 17 5.657 13.006 -6.821 1.00 0.00 H new ATOM 241 N ARG A 18 4.622 8.648 -6.776 1.00 0.00 N ATOM 242 CA ARG A 18 4.690 7.257 -7.205 1.00 0.00 C ATOM 243 C ARG A 18 6.086 6.686 -6.963 1.00 0.00 C ATOM 244 O ARG A 18 6.246 5.668 -6.290 1.00 0.00 O ATOM 245 CB ARG A 18 4.325 7.136 -8.686 1.00 0.00 C ATOM 246 CG ARG A 18 4.458 8.441 -9.453 1.00 0.00 C ATOM 247 CD ARG A 18 4.136 8.255 -10.927 1.00 0.00 C ATOM 248 NE ARG A 18 4.535 9.411 -11.725 1.00 0.00 N ATOM 249 CZ ARG A 18 4.557 9.417 -13.054 1.00 0.00 C ATOM 250 NH1 ARG A 18 4.206 8.331 -13.729 1.00 0.00 N ATOM 251 NH2 ARG A 18 4.932 10.507 -13.709 1.00 0.00 N ATOM 0 H ARG A 18 4.613 9.331 -7.533 1.00 0.00 H new ATOM 0 HA ARG A 18 3.973 6.684 -6.617 1.00 0.00 H new ATOM 0 HB2 ARG A 18 4.965 6.385 -9.149 1.00 0.00 H new ATOM 0 HB3 ARG A 18 3.299 6.777 -8.771 1.00 0.00 H new ATOM 0 HG2 ARG A 18 3.788 9.186 -9.024 1.00 0.00 H new ATOM 0 HG3 ARG A 18 5.472 8.825 -9.347 1.00 0.00 H new ATOM 0 HD2 ARG A 18 4.644 7.365 -11.299 1.00 0.00 H new ATOM 0 HD3 ARG A 18 3.066 8.085 -11.046 1.00 0.00 H new ATOM 0 HE ARG A 18 4.812 10.262 -11.235 1.00 0.00 H new ATOM 0 HH11 ARG A 18 3.919 7.490 -13.228 1.00 0.00 H new ATOM 0 HH12 ARG A 18 4.223 8.337 -14.749 1.00 0.00 H new ATOM 0 HH21 ARG A 18 5.205 11.344 -13.193 1.00 0.00 H new ATOM 0 HH22 ARG A 18 4.948 10.509 -14.729 1.00 0.00 H new ATOM 265 N ASP A 19 7.089 7.353 -7.522 1.00 0.00 N ATOM 266 CA ASP A 19 8.480 6.928 -7.383 1.00 0.00 C ATOM 267 C ASP A 19 9.042 7.220 -5.992 1.00 0.00 C ATOM 268 O ASP A 19 9.948 6.532 -5.525 1.00 0.00 O ATOM 269 CB ASP A 19 9.344 7.623 -8.430 1.00 0.00 C ATOM 270 CG ASP A 19 9.502 6.799 -9.692 1.00 0.00 C ATOM 271 OD1 ASP A 19 9.846 5.604 -9.582 1.00 0.00 O ATOM 272 OD2 ASP A 19 9.283 7.349 -10.792 1.00 0.00 O ATOM 0 H ASP A 19 6.965 8.197 -8.081 1.00 0.00 H new ATOM 0 HA ASP A 19 8.500 5.848 -7.531 1.00 0.00 H new ATOM 0 HB2 ASP A 19 8.900 8.586 -8.682 1.00 0.00 H new ATOM 0 HB3 ASP A 19 10.328 7.827 -8.007 1.00 0.00 H new ATOM 277 N LYS A 20 8.525 8.261 -5.348 1.00 0.00 N ATOM 278 CA LYS A 20 9.006 8.657 -4.027 1.00 0.00 C ATOM 279 C LYS A 20 8.906 7.509 -3.027 1.00 0.00 C ATOM 280 O LYS A 20 9.865 7.214 -2.300 1.00 0.00 O ATOM 281 CB LYS A 20 8.219 9.865 -3.521 1.00 0.00 C ATOM 282 CG LYS A 20 8.890 10.583 -2.365 1.00 0.00 C ATOM 283 CD LYS A 20 8.984 9.687 -1.143 1.00 0.00 C ATOM 284 CE LYS A 20 9.290 10.486 0.114 1.00 0.00 C ATOM 285 NZ LYS A 20 10.503 9.978 0.813 1.00 0.00 N ATOM 0 H LYS A 20 7.775 8.845 -5.717 1.00 0.00 H new ATOM 0 HA LYS A 20 10.058 8.926 -4.122 1.00 0.00 H new ATOM 0 HB2 LYS A 20 8.079 10.567 -4.343 1.00 0.00 H new ATOM 0 HB3 LYS A 20 7.227 9.538 -3.209 1.00 0.00 H new ATOM 0 HG2 LYS A 20 9.889 10.903 -2.662 1.00 0.00 H new ATOM 0 HG3 LYS A 20 8.328 11.483 -2.117 1.00 0.00 H new ATOM 0 HD2 LYS A 20 8.045 9.148 -1.013 1.00 0.00 H new ATOM 0 HD3 LYS A 20 9.762 8.939 -1.298 1.00 0.00 H new ATOM 0 HE2 LYS A 20 9.434 11.534 -0.148 1.00 0.00 H new ATOM 0 HE3 LYS A 20 8.436 10.441 0.790 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 10.234 9.597 1.742 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 10.942 9.226 0.244 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 11.181 10.756 0.941 1.00 0.00 H new ATOM 299 N ALA A 21 7.749 6.861 -2.989 1.00 0.00 N ATOM 300 CA ALA A 21 7.546 5.750 -2.072 1.00 0.00 C ATOM 301 C ALA A 21 8.697 4.762 -2.190 1.00 0.00 C ATOM 302 O ALA A 21 9.325 4.403 -1.197 1.00 0.00 O ATOM 303 CB ALA A 21 6.210 5.068 -2.316 1.00 0.00 C ATOM 0 H ALA A 21 6.945 7.083 -3.576 1.00 0.00 H new ATOM 0 HA ALA A 21 7.526 6.142 -1.055 1.00 0.00 H new ATOM 0 HB1 ALA A 21 6.089 4.242 -1.615 1.00 0.00 H new ATOM 0 HB2 ALA A 21 5.403 5.787 -2.173 1.00 0.00 H new ATOM 0 HB3 ALA A 21 6.178 4.685 -3.336 1.00 0.00 H new ATOM 309 N GLU A 22 8.998 4.343 -3.410 1.00 0.00 N ATOM 310 CA GLU A 22 10.105 3.424 -3.622 1.00 0.00 C ATOM 311 C GLU A 22 11.372 4.032 -3.035 1.00 0.00 C ATOM 312 O GLU A 22 12.117 3.375 -2.294 1.00 0.00 O ATOM 313 CB GLU A 22 10.295 3.138 -5.113 1.00 0.00 C ATOM 314 CG GLU A 22 9.195 2.281 -5.716 1.00 0.00 C ATOM 315 CD GLU A 22 8.652 2.854 -7.011 1.00 0.00 C ATOM 316 OE1 GLU A 22 9.064 3.973 -7.382 1.00 0.00 O ATOM 317 OE2 GLU A 22 7.817 2.183 -7.653 1.00 0.00 O ATOM 0 H GLU A 22 8.500 4.620 -4.256 1.00 0.00 H new ATOM 0 HA GLU A 22 9.887 2.479 -3.126 1.00 0.00 H new ATOM 0 HB2 GLU A 22 10.343 4.084 -5.652 1.00 0.00 H new ATOM 0 HB3 GLU A 22 11.253 2.639 -5.259 1.00 0.00 H new ATOM 0 HG2 GLU A 22 9.581 1.278 -5.900 1.00 0.00 H new ATOM 0 HG3 GLU A 22 8.381 2.182 -4.997 1.00 0.00 H new ATOM 324 N LYS A 23 11.587 5.309 -3.346 1.00 0.00 N ATOM 325 CA LYS A 23 12.736 6.033 -2.832 1.00 0.00 C ATOM 326 C LYS A 23 12.753 5.913 -1.320 1.00 0.00 C ATOM 327 O LYS A 23 13.756 5.515 -0.728 1.00 0.00 O ATOM 328 CB LYS A 23 12.679 7.504 -3.249 1.00 0.00 C ATOM 329 CG LYS A 23 12.390 8.450 -2.096 1.00 0.00 C ATOM 330 CD LYS A 23 12.779 9.879 -2.439 1.00 0.00 C ATOM 331 CE LYS A 23 12.658 10.795 -1.231 1.00 0.00 C ATOM 332 NZ LYS A 23 13.463 12.037 -1.393 1.00 0.00 N ATOM 0 H LYS A 23 10.978 5.859 -3.952 1.00 0.00 H new ATOM 0 HA LYS A 23 13.649 5.604 -3.246 1.00 0.00 H new ATOM 0 HB2 LYS A 23 13.629 7.781 -3.706 1.00 0.00 H new ATOM 0 HB3 LYS A 23 11.910 7.628 -4.012 1.00 0.00 H new ATOM 0 HG2 LYS A 23 11.329 8.410 -1.848 1.00 0.00 H new ATOM 0 HG3 LYS A 23 12.937 8.125 -1.211 1.00 0.00 H new ATOM 0 HD2 LYS A 23 13.803 9.899 -2.811 1.00 0.00 H new ATOM 0 HD3 LYS A 23 12.141 10.248 -3.242 1.00 0.00 H new ATOM 0 HE2 LYS A 23 11.611 11.058 -1.078 1.00 0.00 H new ATOM 0 HE3 LYS A 23 12.987 10.263 -0.338 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 13.354 12.634 -0.549 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 14.466 11.788 -1.513 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 13.133 12.558 -2.231 1.00 0.00 H new ATOM 346 N LEU A 24 11.618 6.228 -0.702 1.00 0.00 N ATOM 347 CA LEU A 24 11.502 6.113 0.744 1.00 0.00 C ATOM 348 C LEU A 24 11.613 4.650 1.142 1.00 0.00 C ATOM 349 O LEU A 24 12.257 4.310 2.135 1.00 0.00 O ATOM 350 CB LEU A 24 10.177 6.688 1.239 1.00 0.00 C ATOM 351 CG LEU A 24 8.977 6.411 0.340 1.00 0.00 C ATOM 352 CD1 LEU A 24 8.342 5.068 0.676 1.00 0.00 C ATOM 353 CD2 LEU A 24 7.964 7.534 0.466 1.00 0.00 C ATOM 0 H LEU A 24 10.777 6.560 -1.174 1.00 0.00 H new ATOM 0 HA LEU A 24 12.308 6.684 1.204 1.00 0.00 H new ATOM 0 HB2 LEU A 24 9.970 6.283 2.230 1.00 0.00 H new ATOM 0 HB3 LEU A 24 10.286 7.767 1.352 1.00 0.00 H new ATOM 0 HG LEU A 24 9.321 6.365 -0.693 1.00 0.00 H new ATOM 0 HD11 LEU A 24 7.489 4.895 0.020 1.00 0.00 H new ATOM 0 HD12 LEU A 24 9.075 4.274 0.535 1.00 0.00 H new ATOM 0 HD13 LEU A 24 8.007 5.073 1.713 1.00 0.00 H new ATOM 0 HD21 LEU A 24 7.110 7.328 -0.180 1.00 0.00 H new ATOM 0 HD22 LEU A 24 7.628 7.606 1.500 1.00 0.00 H new ATOM 0 HD23 LEU A 24 8.425 8.475 0.168 1.00 0.00 H new ATOM 365 N LEU A 25 10.999 3.782 0.340 1.00 0.00 N ATOM 366 CA LEU A 25 11.053 2.351 0.595 1.00 0.00 C ATOM 367 C LEU A 25 12.500 1.928 0.719 1.00 0.00 C ATOM 368 O LEU A 25 12.896 1.292 1.695 1.00 0.00 O ATOM 369 CB LEU A 25 10.387 1.564 -0.533 1.00 0.00 C ATOM 370 CG LEU A 25 8.876 1.368 -0.384 1.00 0.00 C ATOM 371 CD1 LEU A 25 8.273 0.826 -1.672 1.00 0.00 C ATOM 372 CD2 LEU A 25 8.587 0.438 0.777 1.00 0.00 C ATOM 0 H LEU A 25 10.462 4.046 -0.486 1.00 0.00 H new ATOM 0 HA LEU A 25 10.515 2.141 1.519 1.00 0.00 H new ATOM 0 HB2 LEU A 25 10.580 2.076 -1.476 1.00 0.00 H new ATOM 0 HB3 LEU A 25 10.860 0.584 -0.600 1.00 0.00 H new ATOM 0 HG LEU A 25 8.416 2.335 -0.180 1.00 0.00 H new ATOM 0 HD11 LEU A 25 7.199 0.694 -1.544 1.00 0.00 H new ATOM 0 HD12 LEU A 25 8.458 1.529 -2.484 1.00 0.00 H new ATOM 0 HD13 LEU A 25 8.730 -0.134 -1.912 1.00 0.00 H new ATOM 0 HD21 LEU A 25 7.510 0.304 0.876 1.00 0.00 H new ATOM 0 HD22 LEU A 25 9.058 -0.528 0.595 1.00 0.00 H new ATOM 0 HD23 LEU A 25 8.985 0.868 1.696 1.00 0.00 H new ATOM 384 N LEU A 26 13.294 2.309 -0.276 1.00 0.00 N ATOM 385 CA LEU A 26 14.709 1.985 -0.267 1.00 0.00 C ATOM 386 C LEU A 26 15.327 2.423 1.055 1.00 0.00 C ATOM 387 O LEU A 26 16.320 1.856 1.511 1.00 0.00 O ATOM 388 CB LEU A 26 15.420 2.678 -1.427 1.00 0.00 C ATOM 389 CG LEU A 26 15.762 1.773 -2.611 1.00 0.00 C ATOM 390 CD1 LEU A 26 14.494 1.313 -3.314 1.00 0.00 C ATOM 391 CD2 LEU A 26 16.681 2.496 -3.585 1.00 0.00 C ATOM 0 H LEU A 26 12.982 2.838 -1.091 1.00 0.00 H new ATOM 0 HA LEU A 26 14.825 0.907 -0.381 1.00 0.00 H new ATOM 0 HB2 LEU A 26 14.791 3.494 -1.783 1.00 0.00 H new ATOM 0 HB3 LEU A 26 16.341 3.125 -1.053 1.00 0.00 H new ATOM 0 HG LEU A 26 16.284 0.893 -2.234 1.00 0.00 H new ATOM 0 HD11 LEU A 26 14.757 0.670 -4.154 1.00 0.00 H new ATOM 0 HD12 LEU A 26 13.870 0.758 -2.613 1.00 0.00 H new ATOM 0 HD13 LEU A 26 13.945 2.181 -3.679 1.00 0.00 H new ATOM 0 HD21 LEU A 26 16.915 1.838 -4.422 1.00 0.00 H new ATOM 0 HD22 LEU A 26 16.185 3.393 -3.956 1.00 0.00 H new ATOM 0 HD23 LEU A 26 17.603 2.776 -3.076 1.00 0.00 H new ATOM 403 N ASP A 27 14.719 3.438 1.669 1.00 0.00 N ATOM 404 CA ASP A 27 15.192 3.960 2.944 1.00 0.00 C ATOM 405 C ASP A 27 15.079 2.895 4.026 1.00 0.00 C ATOM 406 O ASP A 27 16.025 2.655 4.777 1.00 0.00 O ATOM 407 CB ASP A 27 14.391 5.200 3.344 1.00 0.00 C ATOM 408 CG ASP A 27 14.298 6.214 2.221 1.00 0.00 C ATOM 409 OD1 ASP A 27 14.827 5.937 1.125 1.00 0.00 O ATOM 410 OD2 ASP A 27 13.696 7.287 2.439 1.00 0.00 O ATOM 0 H ASP A 27 13.896 3.914 1.300 1.00 0.00 H new ATOM 0 HA ASP A 27 16.239 4.241 2.834 1.00 0.00 H new ATOM 0 HB2 ASP A 27 13.387 4.900 3.643 1.00 0.00 H new ATOM 0 HB3 ASP A 27 14.857 5.665 4.213 1.00 0.00 H new ATOM 415 N THR A 28 13.922 2.242 4.087 1.00 0.00 N ATOM 416 CA THR A 28 13.703 1.184 5.065 1.00 0.00 C ATOM 417 C THR A 28 14.327 -0.108 4.564 1.00 0.00 C ATOM 418 O THR A 28 14.969 -0.838 5.319 1.00 0.00 O ATOM 419 CB THR A 28 12.209 0.977 5.341 1.00 0.00 C ATOM 420 OG1 THR A 28 12.001 0.565 6.680 1.00 0.00 O ATOM 421 CG2 THR A 28 11.563 -0.056 4.444 1.00 0.00 C ATOM 0 H THR A 28 13.127 2.426 3.475 1.00 0.00 H new ATOM 0 HA THR A 28 14.175 1.480 6.002 1.00 0.00 H new ATOM 0 HB THR A 28 11.747 1.944 5.142 1.00 0.00 H new ATOM 0 HG1 THR A 28 11.042 0.439 6.838 1.00 0.00 H new ATOM 0 HG21 THR A 28 10.507 -0.148 4.697 1.00 0.00 H new ATOM 0 HG22 THR A 28 11.661 0.253 3.403 1.00 0.00 H new ATOM 0 HG23 THR A 28 12.055 -1.018 4.584 1.00 0.00 H new ATOM 429 N GLY A 29 14.138 -0.377 3.276 1.00 0.00 N ATOM 430 CA GLY A 29 14.695 -1.576 2.685 1.00 0.00 C ATOM 431 C GLY A 29 14.388 -2.807 3.503 1.00 0.00 C ATOM 432 O GLY A 29 15.220 -3.265 4.288 1.00 0.00 O ATOM 0 H GLY A 29 13.610 0.214 2.634 1.00 0.00 H new ATOM 0 HA2 GLY A 29 14.297 -1.702 1.678 1.00 0.00 H new ATOM 0 HA3 GLY A 29 15.775 -1.465 2.590 1.00 0.00 H new ATOM 436 N LYS A 30 13.186 -3.337 3.332 1.00 0.00 N ATOM 437 CA LYS A 30 12.764 -4.514 4.072 1.00 0.00 C ATOM 438 C LYS A 30 11.977 -5.454 3.184 1.00 0.00 C ATOM 439 O LYS A 30 11.672 -5.130 2.037 1.00 0.00 O ATOM 440 CB LYS A 30 11.877 -4.104 5.234 1.00 0.00 C ATOM 441 CG LYS A 30 12.321 -2.833 5.922 1.00 0.00 C ATOM 442 CD LYS A 30 11.527 -2.604 7.187 1.00 0.00 C ATOM 443 CE LYS A 30 10.061 -2.923 6.963 1.00 0.00 C ATOM 444 NZ LYS A 30 9.459 -3.591 8.151 1.00 0.00 N ATOM 0 H LYS A 30 12.486 -2.970 2.687 1.00 0.00 H new ATOM 0 HA LYS A 30 13.659 -5.019 4.436 1.00 0.00 H new ATOM 0 HB2 LYS A 30 10.857 -3.973 4.872 1.00 0.00 H new ATOM 0 HB3 LYS A 30 11.854 -4.913 5.965 1.00 0.00 H new ATOM 0 HG2 LYS A 30 13.383 -2.894 6.160 1.00 0.00 H new ATOM 0 HG3 LYS A 30 12.193 -1.986 5.248 1.00 0.00 H new ATOM 0 HD2 LYS A 30 11.922 -3.228 7.989 1.00 0.00 H new ATOM 0 HD3 LYS A 30 11.634 -1.568 7.507 1.00 0.00 H new ATOM 0 HE2 LYS A 30 9.517 -2.004 6.747 1.00 0.00 H new ATOM 0 HE3 LYS A 30 9.957 -3.568 6.090 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 9.271 -4.590 7.930 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 10.118 -3.532 8.953 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 8.567 -3.118 8.400 1.00 0.00 H new ATOM 458 N GLU A 31 11.621 -6.606 3.730 1.00 0.00 N ATOM 459 CA GLU A 31 10.838 -7.571 2.988 1.00 0.00 C ATOM 460 C GLU A 31 9.358 -7.249 3.115 1.00 0.00 C ATOM 461 O GLU A 31 8.750 -7.456 4.165 1.00 0.00 O ATOM 462 CB GLU A 31 11.114 -8.987 3.498 1.00 0.00 C ATOM 463 CG GLU A 31 9.853 -9.793 3.765 1.00 0.00 C ATOM 464 CD GLU A 31 10.105 -11.288 3.758 1.00 0.00 C ATOM 465 OE1 GLU A 31 10.648 -11.803 4.757 1.00 0.00 O ATOM 466 OE2 GLU A 31 9.761 -11.943 2.752 1.00 0.00 O ATOM 0 H GLU A 31 11.862 -6.891 4.679 1.00 0.00 H new ATOM 0 HA GLU A 31 11.123 -7.518 1.937 1.00 0.00 H new ATOM 0 HB2 GLU A 31 11.725 -9.515 2.766 1.00 0.00 H new ATOM 0 HB3 GLU A 31 11.698 -8.926 4.416 1.00 0.00 H new ATOM 0 HG2 GLU A 31 9.438 -9.503 4.730 1.00 0.00 H new ATOM 0 HG3 GLU A 31 9.105 -9.551 3.010 1.00 0.00 H new ATOM 473 N GLY A 32 8.784 -6.749 2.032 1.00 0.00 N ATOM 474 CA GLY A 32 7.380 -6.408 2.022 1.00 0.00 C ATOM 475 C GLY A 32 7.105 -5.041 2.611 1.00 0.00 C ATOM 476 O GLY A 32 6.071 -4.833 3.245 1.00 0.00 O ATOM 0 H GLY A 32 9.271 -6.573 1.154 1.00 0.00 H new ATOM 0 HA2 GLY A 32 7.011 -6.438 0.997 1.00 0.00 H new ATOM 0 HA3 GLY A 32 6.824 -7.159 2.583 1.00 0.00 H new ATOM 480 N ALA A 33 8.017 -4.096 2.391 1.00 0.00 N ATOM 481 CA ALA A 33 7.826 -2.744 2.903 1.00 0.00 C ATOM 482 C ALA A 33 6.576 -2.137 2.270 1.00 0.00 C ATOM 483 O ALA A 33 6.546 -1.889 1.064 1.00 0.00 O ATOM 484 CB ALA A 33 9.045 -1.888 2.614 1.00 0.00 C ATOM 0 H ALA A 33 8.882 -4.239 1.870 1.00 0.00 H new ATOM 0 HA ALA A 33 7.695 -2.783 3.984 1.00 0.00 H new ATOM 0 HB1 ALA A 33 8.884 -0.883 3.003 1.00 0.00 H new ATOM 0 HB2 ALA A 33 9.920 -2.327 3.093 1.00 0.00 H new ATOM 0 HB3 ALA A 33 9.208 -1.838 1.537 1.00 0.00 H new ATOM 490 N PHE A 34 5.528 -1.937 3.068 1.00 0.00 N ATOM 491 CA PHE A 34 4.273 -1.407 2.540 1.00 0.00 C ATOM 492 C PHE A 34 4.076 0.080 2.796 1.00 0.00 C ATOM 493 O PHE A 34 4.364 0.587 3.874 1.00 0.00 O ATOM 494 CB PHE A 34 3.082 -2.154 3.130 1.00 0.00 C ATOM 495 CG PHE A 34 1.795 -1.405 2.954 1.00 0.00 C ATOM 496 CD1 PHE A 34 1.321 -1.136 1.686 1.00 0.00 C ATOM 497 CD2 PHE A 34 1.057 -0.973 4.040 1.00 0.00 C ATOM 498 CE1 PHE A 34 0.142 -0.447 1.502 1.00 0.00 C ATOM 499 CE2 PHE A 34 -0.117 -0.289 3.857 1.00 0.00 C ATOM 500 CZ PHE A 34 -0.577 -0.021 2.590 1.00 0.00 C ATOM 0 H PHE A 34 5.522 -2.131 4.069 1.00 0.00 H new ATOM 0 HA PHE A 34 4.334 -1.553 1.462 1.00 0.00 H new ATOM 0 HB2 PHE A 34 2.998 -3.132 2.656 1.00 0.00 H new ATOM 0 HB3 PHE A 34 3.256 -2.329 4.192 1.00 0.00 H new ATOM 0 HD1 PHE A 34 1.882 -1.470 0.826 1.00 0.00 H new ATOM 0 HD2 PHE A 34 1.408 -1.176 5.041 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -0.215 -0.243 0.503 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -0.684 0.042 4.715 1.00 0.00 H new ATOM 0 HZ PHE A 34 -1.500 0.522 2.451 1.00 0.00 H new ATOM 510 N MET A 35 3.540 0.760 1.790 1.00 0.00 N ATOM 511 CA MET A 35 3.241 2.182 1.880 1.00 0.00 C ATOM 512 C MET A 35 1.999 2.499 1.050 1.00 0.00 C ATOM 513 O MET A 35 1.561 1.677 0.247 1.00 0.00 O ATOM 514 CB MET A 35 4.428 3.007 1.387 1.00 0.00 C ATOM 515 CG MET A 35 4.074 4.445 1.059 1.00 0.00 C ATOM 516 SD MET A 35 5.520 5.512 1.032 1.00 0.00 S ATOM 517 CE MET A 35 6.219 5.150 2.637 1.00 0.00 C ATOM 0 H MET A 35 3.301 0.341 0.891 1.00 0.00 H new ATOM 0 HA MET A 35 3.051 2.439 2.922 1.00 0.00 H new ATOM 0 HB2 MET A 35 5.207 2.998 2.149 1.00 0.00 H new ATOM 0 HB3 MET A 35 4.845 2.533 0.499 1.00 0.00 H new ATOM 0 HG2 MET A 35 3.579 4.483 0.089 1.00 0.00 H new ATOM 0 HG3 MET A 35 3.362 4.819 1.795 1.00 0.00 H new ATOM 0 HE1 MET A 35 6.878 5.964 2.939 1.00 0.00 H new ATOM 0 HE2 MET A 35 5.417 5.043 3.367 1.00 0.00 H new ATOM 0 HE3 MET A 35 6.788 4.222 2.585 1.00 0.00 H new ATOM 527 N VAL A 36 1.432 3.687 1.233 1.00 0.00 N ATOM 528 CA VAL A 36 0.249 4.084 0.473 1.00 0.00 C ATOM 529 C VAL A 36 0.344 5.537 0.039 1.00 0.00 C ATOM 530 O VAL A 36 0.972 6.355 0.710 1.00 0.00 O ATOM 531 CB VAL A 36 -1.058 3.884 1.260 1.00 0.00 C ATOM 532 CG1 VAL A 36 -2.245 4.426 0.479 1.00 0.00 C ATOM 533 CG2 VAL A 36 -1.254 2.416 1.582 1.00 0.00 C ATOM 0 H VAL A 36 1.768 4.387 1.894 1.00 0.00 H new ATOM 0 HA VAL A 36 0.222 3.434 -0.401 1.00 0.00 H new ATOM 0 HB VAL A 36 -0.988 4.439 2.195 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -3.159 4.274 1.054 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -2.104 5.491 0.296 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -2.324 3.902 -0.473 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -2.182 2.286 2.139 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -1.304 1.844 0.656 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -0.417 2.061 2.183 1.00 0.00 H new ATOM 543 N ARG A 37 -0.275 5.852 -1.090 1.00 0.00 N ATOM 544 CA ARG A 37 -0.246 7.211 -1.609 1.00 0.00 C ATOM 545 C ARG A 37 -1.561 7.574 -2.283 1.00 0.00 C ATOM 546 O ARG A 37 -2.096 6.808 -3.084 1.00 0.00 O ATOM 547 CB ARG A 37 0.919 7.365 -2.587 1.00 0.00 C ATOM 548 CG ARG A 37 0.497 7.459 -4.044 1.00 0.00 C ATOM 549 CD ARG A 37 1.323 6.523 -4.911 1.00 0.00 C ATOM 550 NE ARG A 37 1.396 6.965 -6.302 1.00 0.00 N ATOM 551 CZ ARG A 37 0.348 7.368 -7.016 1.00 0.00 C ATOM 552 NH1 ARG A 37 -0.868 7.358 -6.488 1.00 0.00 N ATOM 553 NH2 ARG A 37 0.514 7.770 -8.269 1.00 0.00 N ATOM 0 H ARG A 37 -0.800 5.189 -1.661 1.00 0.00 H new ATOM 0 HA ARG A 37 -0.105 7.896 -0.773 1.00 0.00 H new ATOM 0 HB2 ARG A 37 1.484 8.260 -2.325 1.00 0.00 H new ATOM 0 HB3 ARG A 37 1.593 6.517 -2.469 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -0.560 7.209 -4.137 1.00 0.00 H new ATOM 0 HG3 ARG A 37 0.614 8.484 -4.395 1.00 0.00 H new ATOM 0 HD2 ARG A 37 2.331 6.451 -4.503 1.00 0.00 H new ATOM 0 HD3 ARG A 37 0.891 5.523 -4.873 1.00 0.00 H new ATOM 0 HE ARG A 37 2.310 6.965 -6.755 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -1.005 7.040 -5.529 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -1.667 7.668 -7.041 1.00 0.00 H new ATOM 0 HH21 ARG A 37 1.445 7.770 -8.685 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -0.289 8.079 -8.816 1.00 0.00 H new ATOM 567 N ASP A 38 -2.079 8.751 -1.950 1.00 0.00 N ATOM 568 CA ASP A 38 -3.331 9.221 -2.523 1.00 0.00 C ATOM 569 C ASP A 38 -3.210 9.365 -4.034 1.00 0.00 C ATOM 570 O ASP A 38 -2.135 9.661 -4.555 1.00 0.00 O ATOM 571 CB ASP A 38 -3.740 10.556 -1.899 1.00 0.00 C ATOM 572 CG ASP A 38 -5.216 10.851 -2.077 1.00 0.00 C ATOM 573 OD1 ASP A 38 -5.806 10.354 -3.059 1.00 0.00 O ATOM 574 OD2 ASP A 38 -5.782 11.577 -1.233 1.00 0.00 O ATOM 0 H ASP A 38 -1.650 9.396 -1.286 1.00 0.00 H new ATOM 0 HA ASP A 38 -4.102 8.482 -2.305 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -3.500 10.545 -0.836 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -3.155 11.358 -2.349 1.00 0.00 H new ATOM 579 N SER A 39 -4.314 9.139 -4.732 1.00 0.00 N ATOM 580 CA SER A 39 -4.327 9.229 -6.183 1.00 0.00 C ATOM 581 C SER A 39 -5.355 10.244 -6.671 1.00 0.00 C ATOM 582 O SER A 39 -5.021 11.183 -7.394 1.00 0.00 O ATOM 583 CB SER A 39 -4.631 7.857 -6.782 1.00 0.00 C ATOM 584 OG SER A 39 -3.453 7.243 -7.277 1.00 0.00 O ATOM 0 H SER A 39 -5.212 8.892 -4.316 1.00 0.00 H new ATOM 0 HA SER A 39 -3.342 9.564 -6.509 1.00 0.00 H new ATOM 0 HB2 SER A 39 -5.086 7.219 -6.025 1.00 0.00 H new ATOM 0 HB3 SER A 39 -5.357 7.962 -7.589 1.00 0.00 H new ATOM 0 HG SER A 39 -3.684 6.396 -7.712 1.00 0.00 H new ATOM 590 N ARG A 40 -6.608 10.034 -6.283 1.00 0.00 N ATOM 591 CA ARG A 40 -7.702 10.911 -6.688 1.00 0.00 C ATOM 592 C ARG A 40 -8.739 10.112 -7.465 1.00 0.00 C ATOM 593 O ARG A 40 -9.859 10.569 -7.690 1.00 0.00 O ATOM 594 CB ARG A 40 -7.182 12.067 -7.545 1.00 0.00 C ATOM 595 CG ARG A 40 -8.284 12.943 -8.116 1.00 0.00 C ATOM 596 CD ARG A 40 -8.651 14.070 -7.162 1.00 0.00 C ATOM 597 NE ARG A 40 -9.091 13.566 -5.865 1.00 0.00 N ATOM 598 CZ ARG A 40 -8.312 13.520 -4.790 1.00 0.00 C ATOM 599 NH1 ARG A 40 -7.058 13.951 -4.857 1.00 0.00 N ATOM 600 NH2 ARG A 40 -8.783 13.046 -3.646 1.00 0.00 N ATOM 0 H ARG A 40 -6.893 9.259 -5.684 1.00 0.00 H new ATOM 0 HA ARG A 40 -8.163 11.329 -5.793 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -6.514 12.683 -6.943 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -6.589 11.662 -8.365 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -7.960 13.362 -9.069 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -9.166 12.335 -8.319 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -7.789 14.723 -7.024 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -9.443 14.675 -7.603 1.00 0.00 H new ATOM 0 HE ARG A 40 -10.050 13.230 -5.779 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -6.691 14.318 -5.735 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -6.461 13.915 -4.030 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -9.746 12.715 -3.589 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -8.182 13.012 -2.822 1.00 0.00 H new ATOM 614 N THR A 41 -8.346 8.907 -7.862 1.00 0.00 N ATOM 615 CA THR A 41 -9.220 8.013 -8.609 1.00 0.00 C ATOM 616 C THR A 41 -10.599 7.934 -7.950 1.00 0.00 C ATOM 617 O THR A 41 -10.952 8.792 -7.142 1.00 0.00 O ATOM 618 CB THR A 41 -8.573 6.629 -8.690 1.00 0.00 C ATOM 619 OG1 THR A 41 -8.906 5.981 -9.905 1.00 0.00 O ATOM 620 CG2 THR A 41 -8.966 5.716 -7.548 1.00 0.00 C ATOM 0 H THR A 41 -7.419 8.525 -7.676 1.00 0.00 H new ATOM 0 HA THR A 41 -9.358 8.401 -9.618 1.00 0.00 H new ATOM 0 HB THR A 41 -7.500 6.811 -8.631 1.00 0.00 H new ATOM 0 HG1 THR A 41 -8.616 5.046 -9.867 1.00 0.00 H new ATOM 0 HG21 THR A 41 -8.472 4.751 -7.667 1.00 0.00 H new ATOM 0 HG22 THR A 41 -8.662 6.165 -6.602 1.00 0.00 H new ATOM 0 HG23 THR A 41 -10.047 5.573 -7.552 1.00 0.00 H new ATOM 628 N PRO A 42 -11.403 6.911 -8.290 1.00 0.00 N ATOM 629 CA PRO A 42 -12.751 6.740 -7.731 1.00 0.00 C ATOM 630 C PRO A 42 -12.827 6.926 -6.213 1.00 0.00 C ATOM 631 O PRO A 42 -13.866 6.660 -5.610 1.00 0.00 O ATOM 632 CB PRO A 42 -13.097 5.302 -8.110 1.00 0.00 C ATOM 633 CG PRO A 42 -12.363 5.073 -9.383 1.00 0.00 C ATOM 634 CD PRO A 42 -11.077 5.847 -9.261 1.00 0.00 C ATOM 0 HA PRO A 42 -13.437 7.493 -8.119 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -12.783 4.600 -7.337 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -14.171 5.172 -8.241 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -12.167 4.012 -9.536 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -12.946 5.416 -10.238 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -10.262 5.217 -8.906 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -10.766 6.261 -10.220 1.00 0.00 H new ATOM 642 N GLY A 43 -11.744 7.396 -5.594 1.00 0.00 N ATOM 643 CA GLY A 43 -11.763 7.609 -4.158 1.00 0.00 C ATOM 644 C GLY A 43 -10.856 6.672 -3.388 1.00 0.00 C ATOM 645 O GLY A 43 -11.005 6.520 -2.176 1.00 0.00 O ATOM 0 H GLY A 43 -10.865 7.630 -6.056 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -11.469 8.637 -3.949 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -12.784 7.490 -3.796 1.00 0.00 H new ATOM 649 N THR A 44 -9.922 6.031 -4.078 1.00 0.00 N ATOM 650 CA THR A 44 -9.013 5.102 -3.421 1.00 0.00 C ATOM 651 C THR A 44 -7.647 5.720 -3.158 1.00 0.00 C ATOM 652 O THR A 44 -7.433 6.916 -3.358 1.00 0.00 O ATOM 653 CB THR A 44 -8.828 3.838 -4.254 1.00 0.00 C ATOM 654 OG1 THR A 44 -7.459 3.482 -4.313 1.00 0.00 O ATOM 655 CG2 THR A 44 -9.326 3.960 -5.677 1.00 0.00 C ATOM 0 H THR A 44 -9.775 6.135 -5.082 1.00 0.00 H new ATOM 0 HA THR A 44 -9.471 4.852 -2.464 1.00 0.00 H new ATOM 0 HB THR A 44 -9.425 3.078 -3.750 1.00 0.00 H new ATOM 0 HG1 THR A 44 -7.304 2.905 -5.090 1.00 0.00 H new ATOM 0 HG21 THR A 44 -9.159 3.020 -6.203 1.00 0.00 H new ATOM 0 HG22 THR A 44 -10.392 4.188 -5.671 1.00 0.00 H new ATOM 0 HG23 THR A 44 -8.787 4.760 -6.184 1.00 0.00 H new ATOM 663 N TYR A 45 -6.729 4.872 -2.710 1.00 0.00 N ATOM 664 CA TYR A 45 -5.365 5.281 -2.411 1.00 0.00 C ATOM 665 C TYR A 45 -4.368 4.301 -3.018 1.00 0.00 C ATOM 666 O TYR A 45 -4.713 3.161 -3.340 1.00 0.00 O ATOM 667 CB TYR A 45 -5.152 5.375 -0.901 1.00 0.00 C ATOM 668 CG TYR A 45 -6.222 6.167 -0.195 1.00 0.00 C ATOM 669 CD1 TYR A 45 -7.493 5.640 -0.024 1.00 0.00 C ATOM 670 CD2 TYR A 45 -5.965 7.440 0.297 1.00 0.00 C ATOM 671 CE1 TYR A 45 -8.482 6.356 0.618 1.00 0.00 C ATOM 672 CE2 TYR A 45 -6.950 8.164 0.941 1.00 0.00 C ATOM 673 CZ TYR A 45 -8.207 7.619 1.098 1.00 0.00 C ATOM 674 OH TYR A 45 -9.191 8.337 1.738 1.00 0.00 O ATOM 0 H TYR A 45 -6.911 3.882 -2.544 1.00 0.00 H new ATOM 0 HA TYR A 45 -5.201 6.265 -2.850 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -5.119 4.369 -0.483 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -4.182 5.833 -0.706 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -7.713 4.652 -0.400 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -4.982 7.870 0.175 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -9.466 5.930 0.744 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -6.736 9.153 1.320 1.00 0.00 H new ATOM 0 HH TYR A 45 -8.834 9.206 2.016 1.00 0.00 H new ATOM 684 N THR A 46 -3.132 4.754 -3.183 1.00 0.00 N ATOM 685 CA THR A 46 -2.083 3.921 -3.755 1.00 0.00 C ATOM 686 C THR A 46 -1.303 3.203 -2.655 1.00 0.00 C ATOM 687 O THR A 46 -1.198 3.706 -1.538 1.00 0.00 O ATOM 688 CB THR A 46 -1.141 4.777 -4.595 1.00 0.00 C ATOM 689 OG1 THR A 46 -1.876 5.703 -5.377 1.00 0.00 O ATOM 690 CG2 THR A 46 -0.283 3.963 -5.536 1.00 0.00 C ATOM 0 H THR A 46 -2.831 5.695 -2.928 1.00 0.00 H new ATOM 0 HA THR A 46 -2.546 3.168 -4.393 1.00 0.00 H new ATOM 0 HB THR A 46 -0.492 5.287 -3.883 1.00 0.00 H new ATOM 0 HG1 THR A 46 -2.289 6.371 -4.791 1.00 0.00 H new ATOM 0 HG21 THR A 46 0.365 4.629 -6.106 1.00 0.00 H new ATOM 0 HG22 THR A 46 0.327 3.266 -4.961 1.00 0.00 H new ATOM 0 HG23 THR A 46 -0.922 3.406 -6.221 1.00 0.00 H new ATOM 698 N VAL A 47 -0.760 2.026 -2.972 1.00 0.00 N ATOM 699 CA VAL A 47 0.002 1.252 -1.997 1.00 0.00 C ATOM 700 C VAL A 47 1.424 0.993 -2.475 1.00 0.00 C ATOM 701 O VAL A 47 1.644 0.280 -3.455 1.00 0.00 O ATOM 702 CB VAL A 47 -0.666 -0.105 -1.697 1.00 0.00 C ATOM 703 CG1 VAL A 47 0.336 -1.064 -1.062 1.00 0.00 C ATOM 704 CG2 VAL A 47 -1.883 0.086 -0.804 1.00 0.00 C ATOM 0 H VAL A 47 -0.834 1.592 -3.892 1.00 0.00 H new ATOM 0 HA VAL A 47 0.027 1.852 -1.088 1.00 0.00 H new ATOM 0 HB VAL A 47 -1.003 -0.543 -2.636 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -0.152 -2.017 -0.857 1.00 0.00 H new ATOM 0 HG12 VAL A 47 1.170 -1.223 -1.745 1.00 0.00 H new ATOM 0 HG13 VAL A 47 0.707 -0.638 -0.130 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -2.342 -0.882 -0.603 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -1.576 0.545 0.136 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -2.604 0.732 -1.305 1.00 0.00 H new ATOM 714 N SER A 48 2.385 1.561 -1.762 1.00 0.00 N ATOM 715 CA SER A 48 3.790 1.381 -2.089 1.00 0.00 C ATOM 716 C SER A 48 4.333 0.146 -1.378 1.00 0.00 C ATOM 717 O SER A 48 4.449 0.130 -0.150 1.00 0.00 O ATOM 718 CB SER A 48 4.605 2.611 -1.672 1.00 0.00 C ATOM 719 OG SER A 48 5.813 2.228 -1.037 1.00 0.00 O ATOM 0 H SER A 48 2.215 2.153 -0.949 1.00 0.00 H new ATOM 0 HA SER A 48 3.878 1.251 -3.168 1.00 0.00 H new ATOM 0 HB2 SER A 48 4.828 3.219 -2.549 1.00 0.00 H new ATOM 0 HB3 SER A 48 4.015 3.231 -0.996 1.00 0.00 H new ATOM 0 HG SER A 48 5.626 1.539 -0.366 1.00 0.00 H new ATOM 725 N VAL A 49 4.665 -0.884 -2.147 1.00 0.00 N ATOM 726 CA VAL A 49 5.200 -2.115 -1.579 1.00 0.00 C ATOM 727 C VAL A 49 6.660 -2.287 -1.975 1.00 0.00 C ATOM 728 O VAL A 49 7.014 -2.164 -3.151 1.00 0.00 O ATOM 729 CB VAL A 49 4.396 -3.348 -2.023 1.00 0.00 C ATOM 730 CG1 VAL A 49 2.928 -3.183 -1.655 1.00 0.00 C ATOM 731 CG2 VAL A 49 4.563 -3.583 -3.515 1.00 0.00 C ATOM 0 H VAL A 49 4.573 -0.891 -3.163 1.00 0.00 H new ATOM 0 HA VAL A 49 5.120 -2.034 -0.495 1.00 0.00 H new ATOM 0 HB VAL A 49 4.780 -4.224 -1.500 1.00 0.00 H new ATOM 0 HG11 VAL A 49 2.371 -4.064 -1.976 1.00 0.00 H new ATOM 0 HG12 VAL A 49 2.834 -3.068 -0.575 1.00 0.00 H new ATOM 0 HG13 VAL A 49 2.526 -2.299 -2.150 1.00 0.00 H new ATOM 0 HG21 VAL A 49 3.987 -4.460 -3.812 1.00 0.00 H new ATOM 0 HG22 VAL A 49 4.205 -2.711 -4.063 1.00 0.00 H new ATOM 0 HG23 VAL A 49 5.616 -3.747 -3.742 1.00 0.00 H new ATOM 741 N PHE A 50 7.506 -2.540 -0.983 1.00 0.00 N ATOM 742 CA PHE A 50 8.935 -2.693 -1.221 1.00 0.00 C ATOM 743 C PHE A 50 9.453 -4.066 -0.801 1.00 0.00 C ATOM 744 O PHE A 50 9.138 -4.560 0.287 1.00 0.00 O ATOM 745 CB PHE A 50 9.695 -1.608 -0.471 1.00 0.00 C ATOM 746 CG PHE A 50 11.159 -1.883 -0.356 1.00 0.00 C ATOM 747 CD1 PHE A 50 11.618 -2.933 0.424 1.00 0.00 C ATOM 748 CD2 PHE A 50 12.076 -1.096 -1.031 1.00 0.00 C ATOM 749 CE1 PHE A 50 12.965 -3.188 0.528 1.00 0.00 C ATOM 750 CE2 PHE A 50 13.424 -1.347 -0.930 1.00 0.00 C ATOM 751 CZ PHE A 50 13.870 -2.392 -0.151 1.00 0.00 C ATOM 0 H PHE A 50 7.227 -2.643 -0.007 1.00 0.00 H new ATOM 0 HA PHE A 50 9.099 -2.599 -2.294 1.00 0.00 H new ATOM 0 HB2 PHE A 50 9.550 -0.655 -0.980 1.00 0.00 H new ATOM 0 HB3 PHE A 50 9.273 -1.503 0.528 1.00 0.00 H new ATOM 0 HD1 PHE A 50 10.912 -3.555 0.954 1.00 0.00 H new ATOM 0 HD2 PHE A 50 11.729 -0.277 -1.643 1.00 0.00 H new ATOM 0 HE1 PHE A 50 13.316 -4.007 1.138 1.00 0.00 H new ATOM 0 HE2 PHE A 50 14.131 -0.726 -1.460 1.00 0.00 H new ATOM 0 HZ PHE A 50 14.929 -2.590 -0.070 1.00 0.00 H new ATOM 761 N THR A 51 10.262 -4.664 -1.678 1.00 0.00 N ATOM 762 CA THR A 51 10.852 -5.976 -1.429 1.00 0.00 C ATOM 763 C THR A 51 12.210 -5.856 -0.753 1.00 0.00 C ATOM 764 O THR A 51 13.139 -5.270 -1.310 1.00 0.00 O ATOM 765 CB THR A 51 11.034 -6.727 -2.745 1.00 0.00 C ATOM 766 OG1 THR A 51 9.894 -7.511 -3.047 1.00 0.00 O ATOM 767 CG2 THR A 51 12.241 -7.641 -2.737 1.00 0.00 C ATOM 0 H THR A 51 10.524 -4.254 -2.574 1.00 0.00 H new ATOM 0 HA THR A 51 10.173 -6.518 -0.771 1.00 0.00 H new ATOM 0 HB THR A 51 11.181 -5.957 -3.502 1.00 0.00 H new ATOM 0 HG1 THR A 51 10.035 -7.981 -3.896 1.00 0.00 H new ATOM 0 HG21 THR A 51 12.320 -8.148 -3.699 1.00 0.00 H new ATOM 0 HG22 THR A 51 13.142 -7.053 -2.563 1.00 0.00 H new ATOM 0 HG23 THR A 51 12.132 -8.381 -1.944 1.00 0.00 H new ATOM 775 N LYS A 52 12.334 -6.432 0.435 1.00 0.00 N ATOM 776 CA LYS A 52 13.597 -6.401 1.153 1.00 0.00 C ATOM 777 C LYS A 52 14.758 -6.252 0.176 1.00 0.00 C ATOM 778 O LYS A 52 14.898 -7.024 -0.773 1.00 0.00 O ATOM 779 CB LYS A 52 13.772 -7.675 1.984 1.00 0.00 C ATOM 780 CG LYS A 52 13.743 -8.953 1.160 1.00 0.00 C ATOM 781 CD LYS A 52 13.017 -8.753 -0.160 1.00 0.00 C ATOM 782 CE LYS A 52 11.514 -8.914 0.002 1.00 0.00 C ATOM 783 NZ LYS A 52 11.004 -10.118 -0.711 1.00 0.00 N ATOM 0 H LYS A 52 11.581 -6.922 0.917 1.00 0.00 H new ATOM 0 HA LYS A 52 13.589 -5.543 1.825 1.00 0.00 H new ATOM 0 HB2 LYS A 52 14.719 -7.621 2.520 1.00 0.00 H new ATOM 0 HB3 LYS A 52 12.983 -7.720 2.735 1.00 0.00 H new ATOM 0 HG2 LYS A 52 14.763 -9.286 0.968 1.00 0.00 H new ATOM 0 HG3 LYS A 52 13.252 -9.742 1.729 1.00 0.00 H new ATOM 0 HD2 LYS A 52 13.238 -7.760 -0.551 1.00 0.00 H new ATOM 0 HD3 LYS A 52 13.385 -9.473 -0.892 1.00 0.00 H new ATOM 0 HE2 LYS A 52 11.269 -8.989 1.061 1.00 0.00 H new ATOM 0 HE3 LYS A 52 11.011 -8.026 -0.380 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 10.190 -10.509 -0.194 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 10.709 -9.853 -1.672 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 11.756 -10.834 -0.765 1.00 0.00 H new ATOM 797 N ALA A 53 15.587 -5.245 0.419 1.00 0.00 N ATOM 798 CA ALA A 53 16.732 -4.984 -0.433 1.00 0.00 C ATOM 799 C ALA A 53 17.590 -3.851 0.122 1.00 0.00 C ATOM 800 O ALA A 53 17.085 -2.776 0.444 1.00 0.00 O ATOM 801 CB ALA A 53 16.262 -4.659 -1.842 1.00 0.00 C ATOM 0 H ALA A 53 15.485 -4.597 1.200 1.00 0.00 H new ATOM 0 HA ALA A 53 17.351 -5.881 -0.461 1.00 0.00 H new ATOM 0 HB1 ALA A 53 17.126 -4.464 -2.478 1.00 0.00 H new ATOM 0 HB2 ALA A 53 15.700 -5.503 -2.242 1.00 0.00 H new ATOM 0 HB3 ALA A 53 15.623 -3.777 -1.818 1.00 0.00 H new ATOM 807 N ILE A 54 18.890 -4.103 0.231 1.00 0.00 N ATOM 808 CA ILE A 54 19.824 -3.110 0.746 1.00 0.00 C ATOM 809 C ILE A 54 21.266 -3.562 0.547 1.00 0.00 C ATOM 810 O ILE A 54 22.168 -2.740 0.380 1.00 0.00 O ATOM 811 CB ILE A 54 19.586 -2.837 2.243 1.00 0.00 C ATOM 812 CG1 ILE A 54 20.655 -1.890 2.788 1.00 0.00 C ATOM 813 CG2 ILE A 54 19.577 -4.142 3.024 1.00 0.00 C ATOM 814 CD1 ILE A 54 21.073 -0.819 1.803 1.00 0.00 C ATOM 0 H ILE A 54 19.321 -4.989 -0.031 1.00 0.00 H new ATOM 0 HA ILE A 54 19.651 -2.191 0.186 1.00 0.00 H new ATOM 0 HB ILE A 54 18.613 -2.360 2.360 1.00 0.00 H new ATOM 0 HG12 ILE A 54 20.279 -1.413 3.693 1.00 0.00 H new ATOM 0 HG13 ILE A 54 21.532 -2.471 3.074 1.00 0.00 H new ATOM 0 HG21 ILE A 54 19.408 -3.933 4.080 1.00 0.00 H new ATOM 0 HG22 ILE A 54 18.780 -4.785 2.649 1.00 0.00 H new ATOM 0 HG23 ILE A 54 20.536 -4.645 2.903 1.00 0.00 H new ATOM 0 HD11 ILE A 54 21.834 -0.184 2.257 1.00 0.00 H new ATOM 0 HD12 ILE A 54 21.479 -1.288 0.907 1.00 0.00 H new ATOM 0 HD13 ILE A 54 20.207 -0.213 1.535 1.00 0.00 H new ATOM 826 N ILE A 55 21.477 -4.874 0.564 1.00 0.00 N ATOM 827 CA ILE A 55 22.809 -5.437 0.384 1.00 0.00 C ATOM 828 C ILE A 55 22.866 -6.324 -0.855 1.00 0.00 C ATOM 829 O ILE A 55 23.894 -6.403 -1.527 1.00 0.00 O ATOM 830 CB ILE A 55 23.242 -6.261 1.613 1.00 0.00 C ATOM 831 CG1 ILE A 55 24.027 -7.498 1.174 1.00 0.00 C ATOM 832 CG2 ILE A 55 22.027 -6.662 2.437 1.00 0.00 C ATOM 833 CD1 ILE A 55 25.395 -7.178 0.614 1.00 0.00 C ATOM 0 H ILE A 55 20.741 -5.567 0.701 1.00 0.00 H new ATOM 0 HA ILE A 55 23.494 -4.598 0.260 1.00 0.00 H new ATOM 0 HB ILE A 55 23.891 -5.644 2.235 1.00 0.00 H new ATOM 0 HG12 ILE A 55 24.140 -8.168 2.026 1.00 0.00 H new ATOM 0 HG13 ILE A 55 23.451 -8.035 0.420 1.00 0.00 H new ATOM 0 HG21 ILE A 55 22.349 -7.243 3.301 1.00 0.00 H new ATOM 0 HG22 ILE A 55 21.506 -5.767 2.776 1.00 0.00 H new ATOM 0 HG23 ILE A 55 21.355 -7.264 1.825 1.00 0.00 H new ATOM 0 HD11 ILE A 55 25.894 -8.102 0.323 1.00 0.00 H new ATOM 0 HD12 ILE A 55 25.289 -6.533 -0.258 1.00 0.00 H new ATOM 0 HD13 ILE A 55 25.989 -6.668 1.373 1.00 0.00 H new ATOM 845 N SER A 56 21.754 -6.990 -1.151 1.00 0.00 N ATOM 846 CA SER A 56 21.677 -7.873 -2.310 1.00 0.00 C ATOM 847 C SER A 56 21.876 -7.088 -3.604 1.00 0.00 C ATOM 848 O SER A 56 22.754 -7.407 -4.405 1.00 0.00 O ATOM 849 CB SER A 56 20.329 -8.595 -2.339 1.00 0.00 C ATOM 850 OG SER A 56 19.846 -8.825 -1.028 1.00 0.00 O ATOM 0 H SER A 56 20.894 -6.935 -0.605 1.00 0.00 H new ATOM 0 HA SER A 56 22.474 -8.612 -2.227 1.00 0.00 H new ATOM 0 HB2 SER A 56 19.606 -8.000 -2.897 1.00 0.00 H new ATOM 0 HB3 SER A 56 20.433 -9.545 -2.864 1.00 0.00 H new ATOM 0 HG SER A 56 18.982 -9.286 -1.074 1.00 0.00 H new ATOM 856 N GLU A 57 21.054 -6.063 -3.799 1.00 0.00 N ATOM 857 CA GLU A 57 21.138 -5.231 -4.995 1.00 0.00 C ATOM 858 C GLU A 57 20.041 -5.595 -5.990 1.00 0.00 C ATOM 859 O GLU A 57 19.731 -6.770 -6.188 1.00 0.00 O ATOM 860 CB GLU A 57 22.511 -5.385 -5.652 1.00 0.00 C ATOM 861 CG GLU A 57 22.769 -4.380 -6.763 1.00 0.00 C ATOM 862 CD GLU A 57 22.819 -2.952 -6.257 1.00 0.00 C ATOM 863 OE1 GLU A 57 23.873 -2.548 -5.723 1.00 0.00 O ATOM 864 OE2 GLU A 57 21.803 -2.238 -6.394 1.00 0.00 O ATOM 0 H GLU A 57 20.322 -5.788 -3.145 1.00 0.00 H new ATOM 0 HA GLU A 57 21.000 -4.192 -4.695 1.00 0.00 H new ATOM 0 HB2 GLU A 57 23.283 -5.278 -4.890 1.00 0.00 H new ATOM 0 HB3 GLU A 57 22.600 -6.393 -6.057 1.00 0.00 H new ATOM 0 HG2 GLU A 57 23.712 -4.621 -7.254 1.00 0.00 H new ATOM 0 HG3 GLU A 57 21.986 -4.468 -7.516 1.00 0.00 H new ATOM 871 N ASN A 58 19.457 -4.578 -6.617 1.00 0.00 N ATOM 872 CA ASN A 58 18.396 -4.786 -7.594 1.00 0.00 C ATOM 873 C ASN A 58 17.066 -5.080 -6.906 1.00 0.00 C ATOM 874 O ASN A 58 16.346 -6.000 -7.295 1.00 0.00 O ATOM 875 CB ASN A 58 18.761 -5.937 -8.534 1.00 0.00 C ATOM 876 CG ASN A 58 18.535 -5.586 -9.992 1.00 0.00 C ATOM 877 OD1 ASN A 58 17.552 -4.732 -10.249 1.00 0.00 O flip ATOM 878 ND2 ASN A 58 19.235 -6.078 -10.876 1.00 0.00 N flip ATOM 0 H ASN A 58 19.702 -3.600 -6.465 1.00 0.00 H new ATOM 0 HA ASN A 58 18.287 -3.869 -8.174 1.00 0.00 H new ATOM 0 HB2 ASN A 58 19.807 -6.206 -8.386 1.00 0.00 H new ATOM 0 HB3 ASN A 58 18.167 -6.814 -8.278 1.00 0.00 H new ATOM 0 HD21 ASN A 58 19.980 -6.731 -10.633 1.00 0.00 H new ATOM 0 HD22 ASN A 58 19.070 -5.833 -11.852 1.00 0.00 H new ATOM 885 N PRO A 59 16.721 -4.296 -5.873 1.00 0.00 N ATOM 886 CA PRO A 59 15.469 -4.471 -5.131 1.00 0.00 C ATOM 887 C PRO A 59 14.248 -4.411 -6.037 1.00 0.00 C ATOM 888 O PRO A 59 14.347 -4.047 -7.209 1.00 0.00 O ATOM 889 CB PRO A 59 15.457 -3.291 -4.156 1.00 0.00 C ATOM 890 CG PRO A 59 16.885 -2.887 -4.023 1.00 0.00 C ATOM 891 CD PRO A 59 17.522 -3.175 -5.352 1.00 0.00 C ATOM 0 HA PRO A 59 15.423 -5.445 -4.644 1.00 0.00 H new ATOM 0 HB2 PRO A 59 14.848 -2.471 -4.537 1.00 0.00 H new ATOM 0 HB3 PRO A 59 15.037 -3.579 -3.192 1.00 0.00 H new ATOM 0 HG2 PRO A 59 16.970 -1.830 -3.771 1.00 0.00 H new ATOM 0 HG3 PRO A 59 17.376 -3.445 -3.226 1.00 0.00 H new ATOM 0 HD2 PRO A 59 17.482 -2.310 -6.014 1.00 0.00 H new ATOM 0 HD3 PRO A 59 18.572 -3.446 -5.245 1.00 0.00 H new ATOM 899 N CYS A 60 13.093 -4.766 -5.487 1.00 0.00 N ATOM 900 CA CYS A 60 11.852 -4.747 -6.245 1.00 0.00 C ATOM 901 C CYS A 60 10.741 -4.068 -5.454 1.00 0.00 C ATOM 902 O CYS A 60 10.411 -4.482 -4.344 1.00 0.00 O ATOM 903 CB CYS A 60 11.427 -6.167 -6.619 1.00 0.00 C ATOM 904 SG CYS A 60 12.798 -7.253 -7.077 1.00 0.00 S ATOM 0 H CYS A 60 12.992 -5.070 -4.519 1.00 0.00 H new ATOM 0 HA CYS A 60 12.029 -4.178 -7.158 1.00 0.00 H new ATOM 0 HB2 CYS A 60 10.894 -6.609 -5.777 1.00 0.00 H new ATOM 0 HB3 CYS A 60 10.724 -6.117 -7.451 1.00 0.00 H new ATOM 0 HG CYS A 60 12.337 -8.432 -7.374 1.00 0.00 H new ATOM 910 N ILE A 61 10.162 -3.030 -6.039 1.00 0.00 N ATOM 911 CA ILE A 61 9.080 -2.299 -5.396 1.00 0.00 C ATOM 912 C ILE A 61 7.842 -2.297 -6.273 1.00 0.00 C ATOM 913 O ILE A 61 7.938 -2.306 -7.500 1.00 0.00 O ATOM 914 CB ILE A 61 9.472 -0.842 -5.088 1.00 0.00 C ATOM 915 CG1 ILE A 61 10.410 -0.786 -3.881 1.00 0.00 C ATOM 916 CG2 ILE A 61 8.223 -0.005 -4.838 1.00 0.00 C ATOM 917 CD1 ILE A 61 11.655 -1.630 -4.043 1.00 0.00 C ATOM 0 H ILE A 61 10.424 -2.675 -6.959 1.00 0.00 H new ATOM 0 HA ILE A 61 8.871 -2.810 -4.456 1.00 0.00 H new ATOM 0 HB ILE A 61 9.999 -0.430 -5.949 1.00 0.00 H new ATOM 0 HG12 ILE A 61 10.703 0.249 -3.707 1.00 0.00 H new ATOM 0 HG13 ILE A 61 9.869 -1.118 -2.995 1.00 0.00 H new ATOM 0 HG21 ILE A 61 8.512 1.023 -4.621 1.00 0.00 H new ATOM 0 HG22 ILE A 61 7.588 -0.025 -5.724 1.00 0.00 H new ATOM 0 HG23 ILE A 61 7.674 -0.414 -3.990 1.00 0.00 H new ATOM 0 HD11 ILE A 61 12.273 -1.542 -3.149 1.00 0.00 H new ATOM 0 HD12 ILE A 61 11.372 -2.673 -4.187 1.00 0.00 H new ATOM 0 HD13 ILE A 61 12.219 -1.284 -4.910 1.00 0.00 H new ATOM 929 N LYS A 62 6.677 -2.285 -5.643 1.00 0.00 N ATOM 930 CA LYS A 62 5.424 -2.281 -6.381 1.00 0.00 C ATOM 931 C LYS A 62 4.435 -1.304 -5.764 1.00 0.00 C ATOM 932 O LYS A 62 4.295 -1.230 -4.543 1.00 0.00 O ATOM 933 CB LYS A 62 4.823 -3.687 -6.421 1.00 0.00 C ATOM 934 CG LYS A 62 5.863 -4.792 -6.336 1.00 0.00 C ATOM 935 CD LYS A 62 5.437 -6.023 -7.121 1.00 0.00 C ATOM 936 CE LYS A 62 4.690 -5.645 -8.388 1.00 0.00 C ATOM 937 NZ LYS A 62 3.215 -5.652 -8.186 1.00 0.00 N ATOM 0 H LYS A 62 6.573 -2.278 -4.628 1.00 0.00 H new ATOM 0 HA LYS A 62 5.633 -1.959 -7.401 1.00 0.00 H new ATOM 0 HB2 LYS A 62 4.119 -3.797 -5.596 1.00 0.00 H new ATOM 0 HB3 LYS A 62 4.254 -3.804 -7.343 1.00 0.00 H new ATOM 0 HG2 LYS A 62 6.815 -4.426 -6.720 1.00 0.00 H new ATOM 0 HG3 LYS A 62 6.023 -5.063 -5.292 1.00 0.00 H new ATOM 0 HD2 LYS A 62 6.316 -6.614 -7.378 1.00 0.00 H new ATOM 0 HD3 LYS A 62 4.802 -6.652 -6.497 1.00 0.00 H new ATOM 0 HE2 LYS A 62 5.007 -4.655 -8.714 1.00 0.00 H new ATOM 0 HE3 LYS A 62 4.951 -6.342 -9.185 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 2.798 -4.816 -8.643 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 2.811 -6.514 -8.605 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 3.004 -5.631 -7.168 1.00 0.00 H new ATOM 951 N HIS A 63 3.746 -0.560 -6.619 1.00 0.00 N ATOM 952 CA HIS A 63 2.765 0.406 -6.165 1.00 0.00 C ATOM 953 C HIS A 63 1.364 -0.112 -6.454 1.00 0.00 C ATOM 954 O HIS A 63 0.912 -0.103 -7.598 1.00 0.00 O ATOM 955 CB HIS A 63 2.983 1.746 -6.869 1.00 0.00 C ATOM 956 CG HIS A 63 4.277 2.407 -6.510 1.00 0.00 C ATOM 957 ND1 HIS A 63 4.686 2.648 -5.217 1.00 0.00 N ATOM 958 CD2 HIS A 63 5.267 2.882 -7.309 1.00 0.00 C ATOM 959 CE1 HIS A 63 5.883 3.246 -5.269 1.00 0.00 C ATOM 960 NE2 HIS A 63 6.280 3.412 -6.516 1.00 0.00 N ATOM 0 H HIS A 63 3.852 -0.610 -7.632 1.00 0.00 H new ATOM 0 HA HIS A 63 2.878 0.552 -5.091 1.00 0.00 H new ATOM 0 HB2 HIS A 63 2.951 1.590 -7.947 1.00 0.00 H new ATOM 0 HB3 HIS A 63 2.161 2.416 -6.619 1.00 0.00 H new ATOM 0 HD1 HIS A 63 4.169 2.413 -4.370 1.00 0.00 H new ATOM 0 HD2 HIS A 63 5.268 2.853 -8.389 1.00 0.00 H new ATOM 0 HE1 HIS A 63 6.450 3.553 -4.402 1.00 0.00 H new ATOM 968 N TYR A 64 0.688 -0.581 -5.415 1.00 0.00 N ATOM 969 CA TYR A 64 -0.654 -1.122 -5.566 1.00 0.00 C ATOM 970 C TYR A 64 -1.712 -0.093 -5.223 1.00 0.00 C ATOM 971 O TYR A 64 -1.739 0.436 -4.113 1.00 0.00 O ATOM 972 CB TYR A 64 -0.826 -2.337 -4.666 1.00 0.00 C ATOM 973 CG TYR A 64 0.251 -3.363 -4.862 1.00 0.00 C ATOM 974 CD1 TYR A 64 0.371 -4.041 -6.063 1.00 0.00 C ATOM 975 CD2 TYR A 64 1.149 -3.648 -3.851 1.00 0.00 C ATOM 976 CE1 TYR A 64 1.361 -4.981 -6.254 1.00 0.00 C ATOM 977 CE2 TYR A 64 2.145 -4.587 -4.028 1.00 0.00 C ATOM 978 CZ TYR A 64 2.247 -5.252 -5.232 1.00 0.00 C ATOM 979 OH TYR A 64 3.236 -6.190 -5.416 1.00 0.00 O ATOM 0 H TYR A 64 1.046 -0.598 -4.460 1.00 0.00 H new ATOM 0 HA TYR A 64 -0.780 -1.408 -6.610 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -0.829 -2.015 -3.625 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -1.796 -2.794 -4.861 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -0.323 -3.830 -6.864 1.00 0.00 H new ATOM 0 HD2 TYR A 64 1.070 -3.128 -2.908 1.00 0.00 H new ATOM 0 HE1 TYR A 64 1.442 -5.501 -7.197 1.00 0.00 H new ATOM 0 HE2 TYR A 64 2.840 -4.800 -3.229 1.00 0.00 H new ATOM 0 HH TYR A 64 2.836 -7.084 -5.456 1.00 0.00 H new ATOM 989 N HIS A 65 -2.602 0.176 -6.166 1.00 0.00 N ATOM 990 CA HIS A 65 -3.668 1.125 -5.919 1.00 0.00 C ATOM 991 C HIS A 65 -4.877 0.416 -5.362 1.00 0.00 C ATOM 992 O HIS A 65 -5.181 -0.713 -5.749 1.00 0.00 O ATOM 993 CB HIS A 65 -4.059 1.885 -7.176 1.00 0.00 C ATOM 994 CG HIS A 65 -4.370 3.304 -6.888 1.00 0.00 C ATOM 995 ND1 HIS A 65 -4.301 3.844 -5.632 1.00 0.00 N ATOM 996 CD2 HIS A 65 -4.760 4.301 -7.708 1.00 0.00 C ATOM 997 CE1 HIS A 65 -4.644 5.127 -5.722 1.00 0.00 C ATOM 998 NE2 HIS A 65 -4.933 5.459 -6.963 1.00 0.00 N ATOM 0 H HIS A 65 -2.606 -0.244 -7.095 1.00 0.00 H new ATOM 0 HA HIS A 65 -3.295 1.848 -5.193 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -3.246 1.831 -7.901 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -4.926 1.409 -7.633 1.00 0.00 H new ATOM 0 HD1 HIS A 65 -4.034 3.351 -4.780 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -4.913 4.213 -8.773 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -4.681 5.808 -4.885 1.00 0.00 H new ATOM 1006 N ILE A 66 -5.575 1.077 -4.455 1.00 0.00 N ATOM 1007 CA ILE A 66 -6.758 0.479 -3.864 1.00 0.00 C ATOM 1008 C ILE A 66 -7.960 0.682 -4.773 1.00 0.00 C ATOM 1009 O ILE A 66 -8.502 1.776 -4.869 1.00 0.00 O ATOM 1010 CB ILE A 66 -7.063 1.060 -2.467 1.00 0.00 C ATOM 1011 CG1 ILE A 66 -5.776 1.496 -1.763 1.00 0.00 C ATOM 1012 CG2 ILE A 66 -7.794 0.032 -1.619 1.00 0.00 C ATOM 1013 CD1 ILE A 66 -4.533 0.792 -2.264 1.00 0.00 C ATOM 0 H ILE A 66 -5.348 2.012 -4.116 1.00 0.00 H new ATOM 0 HA ILE A 66 -6.558 -0.586 -3.749 1.00 0.00 H new ATOM 0 HB ILE A 66 -7.699 1.936 -2.596 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -5.649 2.571 -1.892 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -5.879 1.313 -0.693 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -8.003 0.454 -0.636 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -8.731 -0.240 -2.104 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -7.172 -0.856 -1.508 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -3.663 1.155 -1.716 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -4.636 -0.282 -2.110 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -4.403 0.995 -3.327 1.00 0.00 H new ATOM 1025 N LYS A 67 -8.378 -0.383 -5.439 1.00 0.00 N ATOM 1026 CA LYS A 67 -9.523 -0.310 -6.334 1.00 0.00 C ATOM 1027 C LYS A 67 -10.801 -0.179 -5.520 1.00 0.00 C ATOM 1028 O LYS A 67 -10.944 -0.833 -4.491 1.00 0.00 O ATOM 1029 CB LYS A 67 -9.586 -1.551 -7.226 1.00 0.00 C ATOM 1030 CG LYS A 67 -10.516 -1.394 -8.419 1.00 0.00 C ATOM 1031 CD LYS A 67 -9.786 -0.816 -9.622 1.00 0.00 C ATOM 1032 CE LYS A 67 -9.365 0.624 -9.378 1.00 0.00 C ATOM 1033 NZ LYS A 67 -10.532 1.503 -9.087 1.00 0.00 N ATOM 0 H LYS A 67 -7.944 -1.304 -5.378 1.00 0.00 H new ATOM 0 HA LYS A 67 -9.416 0.566 -6.974 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -8.583 -1.782 -7.585 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -9.914 -2.402 -6.629 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -10.941 -2.363 -8.681 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -11.348 -0.744 -8.150 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -8.906 -1.421 -9.841 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -10.432 -0.864 -10.499 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -8.666 0.661 -8.543 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -8.836 1.001 -10.254 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -10.576 2.266 -9.792 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -11.407 0.943 -9.128 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -10.429 1.914 -8.137 1.00 0.00 H new ATOM 1047 N GLU A 68 -11.719 0.669 -5.980 1.00 0.00 N ATOM 1048 CA GLU A 68 -12.983 0.891 -5.279 1.00 0.00 C ATOM 1049 C GLU A 68 -14.159 0.409 -6.119 1.00 0.00 C ATOM 1050 O GLU A 68 -14.217 0.656 -7.324 1.00 0.00 O ATOM 1051 CB GLU A 68 -13.161 2.382 -4.971 1.00 0.00 C ATOM 1052 CG GLU A 68 -12.127 2.941 -4.006 1.00 0.00 C ATOM 1053 CD GLU A 68 -12.713 3.970 -3.059 1.00 0.00 C ATOM 1054 OE1 GLU A 68 -13.942 4.188 -3.107 1.00 0.00 O ATOM 1055 OE2 GLU A 68 -11.943 4.556 -2.270 1.00 0.00 O ATOM 0 H GLU A 68 -11.611 1.214 -6.835 1.00 0.00 H new ATOM 0 HA GLU A 68 -12.956 0.325 -4.348 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -13.114 2.944 -5.904 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -14.156 2.540 -4.554 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -11.695 2.124 -3.428 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -11.314 3.395 -4.573 1.00 0.00 H new ATOM 1062 N THR A 69 -15.095 -0.275 -5.473 1.00 0.00 N ATOM 1063 CA THR A 69 -16.273 -0.787 -6.155 1.00 0.00 C ATOM 1064 C THR A 69 -17.536 -0.194 -5.549 1.00 0.00 C ATOM 1065 O THR A 69 -17.513 0.908 -4.999 1.00 0.00 O ATOM 1066 CB THR A 69 -16.318 -2.313 -6.067 1.00 0.00 C ATOM 1067 OG1 THR A 69 -16.947 -2.729 -4.867 1.00 0.00 O ATOM 1068 CG2 THR A 69 -14.948 -2.957 -6.113 1.00 0.00 C ATOM 0 H THR A 69 -15.059 -0.487 -4.476 1.00 0.00 H new ATOM 0 HA THR A 69 -16.217 -0.497 -7.204 1.00 0.00 H new ATOM 0 HB THR A 69 -16.883 -2.635 -6.942 1.00 0.00 H new ATOM 0 HG1 THR A 69 -16.370 -3.369 -4.400 1.00 0.00 H new ATOM 0 HG21 THR A 69 -15.053 -4.040 -6.046 1.00 0.00 H new ATOM 0 HG22 THR A 69 -14.455 -2.697 -7.050 1.00 0.00 H new ATOM 0 HG23 THR A 69 -14.349 -2.598 -5.276 1.00 0.00 H new ATOM 1076 N ASN A 70 -18.635 -0.926 -5.649 1.00 0.00 N ATOM 1077 CA ASN A 70 -19.904 -0.467 -5.104 1.00 0.00 C ATOM 1078 C ASN A 70 -20.422 -1.438 -4.050 1.00 0.00 C ATOM 1079 O ASN A 70 -21.629 -1.656 -3.938 1.00 0.00 O ATOM 1080 CB ASN A 70 -20.936 -0.310 -6.222 1.00 0.00 C ATOM 1081 CG ASN A 70 -22.350 -0.178 -5.691 1.00 0.00 C ATOM 1082 OD1 ASN A 70 -23.267 -0.852 -6.159 1.00 0.00 O ATOM 1083 ND2 ASN A 70 -22.532 0.695 -4.706 1.00 0.00 N ATOM 0 H ASN A 70 -18.674 -1.839 -6.102 1.00 0.00 H new ATOM 0 HA ASN A 70 -19.741 0.502 -4.632 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -20.691 0.570 -6.817 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -20.880 -1.171 -6.888 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -23.461 0.827 -4.307 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -21.742 1.233 -4.349 1.00 0.00 H new ATOM 1090 N ASP A 71 -19.509 -2.023 -3.280 1.00 0.00 N ATOM 1091 CA ASP A 71 -19.895 -2.970 -2.245 1.00 0.00 C ATOM 1092 C ASP A 71 -20.126 -2.266 -0.914 1.00 0.00 C ATOM 1093 O ASP A 71 -20.135 -1.037 -0.840 1.00 0.00 O ATOM 1094 CB ASP A 71 -18.839 -4.060 -2.089 1.00 0.00 C ATOM 1095 CG ASP A 71 -19.455 -5.440 -1.959 1.00 0.00 C ATOM 1096 OD1 ASP A 71 -20.229 -5.657 -1.003 1.00 0.00 O ATOM 1097 OD2 ASP A 71 -19.163 -6.303 -2.814 1.00 0.00 O ATOM 0 H ASP A 71 -18.505 -1.858 -3.354 1.00 0.00 H new ATOM 0 HA ASP A 71 -20.832 -3.434 -2.553 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -18.171 -4.042 -2.950 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -18.231 -3.851 -1.209 1.00 0.00 H new ATOM 1102 N SER A 72 -20.312 -3.057 0.137 1.00 0.00 N ATOM 1103 CA SER A 72 -20.547 -2.514 1.469 1.00 0.00 C ATOM 1104 C SER A 72 -19.928 -3.408 2.540 1.00 0.00 C ATOM 1105 O SER A 72 -20.606 -4.247 3.132 1.00 0.00 O ATOM 1106 CB SER A 72 -22.047 -2.359 1.724 1.00 0.00 C ATOM 1107 OG SER A 72 -22.782 -3.386 1.081 1.00 0.00 O ATOM 0 H SER A 72 -20.305 -4.076 0.092 1.00 0.00 H new ATOM 0 HA SER A 72 -20.073 -1.534 1.521 1.00 0.00 H new ATOM 0 HB2 SER A 72 -22.241 -2.385 2.796 1.00 0.00 H new ATOM 0 HB3 SER A 72 -22.382 -1.387 1.363 1.00 0.00 H new ATOM 0 HG SER A 72 -23.738 -3.266 1.261 1.00 0.00 H new ATOM 1113 N PRO A 73 -18.625 -3.233 2.797 1.00 0.00 N ATOM 1114 CA PRO A 73 -17.807 -2.242 2.102 1.00 0.00 C ATOM 1115 C PRO A 73 -17.307 -2.746 0.752 1.00 0.00 C ATOM 1116 O PRO A 73 -17.549 -2.126 -0.283 1.00 0.00 O ATOM 1117 CB PRO A 73 -16.642 -2.036 3.066 1.00 0.00 C ATOM 1118 CG PRO A 73 -16.478 -3.356 3.745 1.00 0.00 C ATOM 1119 CD PRO A 73 -17.846 -3.992 3.792 1.00 0.00 C ATOM 0 HA PRO A 73 -18.360 -1.332 1.870 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -15.735 -1.748 2.535 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -16.857 -1.245 3.784 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -15.776 -3.987 3.200 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -16.076 -3.227 4.750 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -17.803 -5.052 3.541 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -18.287 -3.918 4.786 1.00 0.00 H new ATOM 1127 N LYS A 74 -16.606 -3.874 0.774 1.00 0.00 N ATOM 1128 CA LYS A 74 -16.064 -4.471 -0.441 1.00 0.00 C ATOM 1129 C LYS A 74 -16.012 -3.465 -1.579 1.00 0.00 C ATOM 1130 O LYS A 74 -16.366 -3.776 -2.716 1.00 0.00 O ATOM 1131 CB LYS A 74 -16.882 -5.697 -0.851 1.00 0.00 C ATOM 1132 CG LYS A 74 -18.010 -6.025 0.115 1.00 0.00 C ATOM 1133 CD LYS A 74 -17.482 -6.660 1.391 1.00 0.00 C ATOM 1134 CE LYS A 74 -16.913 -8.045 1.130 1.00 0.00 C ATOM 1135 NZ LYS A 74 -16.868 -8.870 2.369 1.00 0.00 N ATOM 0 H LYS A 74 -16.399 -4.396 1.625 1.00 0.00 H new ATOM 0 HA LYS A 74 -15.043 -4.787 -0.226 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -17.301 -5.529 -1.843 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -16.218 -6.558 -0.927 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -18.557 -5.115 0.360 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -18.716 -6.703 -0.365 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -16.709 -6.024 1.823 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -18.286 -6.728 2.124 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -17.520 -8.551 0.379 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -15.908 -7.953 0.719 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -16.474 -9.807 2.148 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -16.269 -8.400 3.077 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -17.830 -8.980 2.748 1.00 0.00 H new ATOM 1149 N ARG A 75 -15.547 -2.264 -1.268 1.00 0.00 N ATOM 1150 CA ARG A 75 -15.424 -1.217 -2.264 1.00 0.00 C ATOM 1151 C ARG A 75 -14.006 -1.171 -2.819 1.00 0.00 C ATOM 1152 O ARG A 75 -13.794 -1.259 -4.027 1.00 0.00 O ATOM 1153 CB ARG A 75 -15.764 0.144 -1.662 1.00 0.00 C ATOM 1154 CG ARG A 75 -17.220 0.533 -1.833 1.00 0.00 C ATOM 1155 CD ARG A 75 -17.572 1.757 -1.001 1.00 0.00 C ATOM 1156 NE ARG A 75 -16.942 2.969 -1.517 1.00 0.00 N ATOM 1157 CZ ARG A 75 -17.009 4.148 -0.908 1.00 0.00 C ATOM 1158 NH1 ARG A 75 -17.675 4.271 0.232 1.00 0.00 N ATOM 1159 NH2 ARG A 75 -16.410 5.206 -1.439 1.00 0.00 N ATOM 0 H ARG A 75 -15.249 -1.993 -0.331 1.00 0.00 H new ATOM 0 HA ARG A 75 -16.124 -1.441 -3.069 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -15.521 0.134 -0.599 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -15.136 0.905 -2.125 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -17.422 0.736 -2.885 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -17.857 -0.302 -1.541 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -18.654 1.888 -0.989 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -17.259 1.597 0.031 1.00 0.00 H new ATOM 0 HE ARG A 75 -16.422 2.907 -2.392 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -18.137 3.460 0.643 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -17.725 5.177 0.698 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -15.897 5.115 -2.316 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -16.462 6.110 -0.970 1.00 0.00 H new ATOM 1173 N TYR A 76 -13.041 -1.002 -1.921 1.00 0.00 N ATOM 1174 CA TYR A 76 -11.641 -0.899 -2.308 1.00 0.00 C ATOM 1175 C TYR A 76 -10.966 -2.266 -2.401 1.00 0.00 C ATOM 1176 O TYR A 76 -11.353 -3.207 -1.713 1.00 0.00 O ATOM 1177 CB TYR A 76 -10.914 -0.003 -1.314 1.00 0.00 C ATOM 1178 CG TYR A 76 -11.757 1.170 -0.899 1.00 0.00 C ATOM 1179 CD1 TYR A 76 -12.941 1.446 -1.565 1.00 0.00 C ATOM 1180 CD2 TYR A 76 -11.387 1.990 0.153 1.00 0.00 C ATOM 1181 CE1 TYR A 76 -13.736 2.505 -1.199 1.00 0.00 C ATOM 1182 CE2 TYR A 76 -12.178 3.057 0.533 1.00 0.00 C ATOM 1183 CZ TYR A 76 -13.355 3.312 -0.145 1.00 0.00 C ATOM 1184 OH TYR A 76 -14.146 4.373 0.227 1.00 0.00 O ATOM 0 H TYR A 76 -13.205 -0.933 -0.917 1.00 0.00 H new ATOM 0 HA TYR A 76 -11.592 -0.460 -3.305 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -10.641 -0.584 -0.433 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -9.986 0.356 -1.759 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -13.245 0.816 -2.388 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -10.467 1.793 0.684 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -14.654 2.705 -1.732 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -11.878 3.689 1.356 1.00 0.00 H new ATOM 0 HH TYR A 76 -13.735 4.838 0.986 1.00 0.00 H new ATOM 1194 N TYR A 77 -9.954 -2.357 -3.262 1.00 0.00 N ATOM 1195 CA TYR A 77 -9.210 -3.607 -3.466 1.00 0.00 C ATOM 1196 C TYR A 77 -8.135 -3.437 -4.538 1.00 0.00 C ATOM 1197 O TYR A 77 -8.234 -2.559 -5.390 1.00 0.00 O ATOM 1198 CB TYR A 77 -10.152 -4.734 -3.894 1.00 0.00 C ATOM 1199 CG TYR A 77 -10.570 -4.632 -5.342 1.00 0.00 C ATOM 1200 CD1 TYR A 77 -11.436 -3.625 -5.748 1.00 0.00 C ATOM 1201 CD2 TYR A 77 -10.097 -5.525 -6.306 1.00 0.00 C ATOM 1202 CE1 TYR A 77 -11.825 -3.504 -7.066 1.00 0.00 C ATOM 1203 CE2 TYR A 77 -10.485 -5.403 -7.630 1.00 0.00 C ATOM 1204 CZ TYR A 77 -11.347 -4.393 -8.002 1.00 0.00 C ATOM 1205 OH TYR A 77 -11.733 -4.273 -9.317 1.00 0.00 O ATOM 0 H TYR A 77 -9.626 -1.578 -3.834 1.00 0.00 H new ATOM 0 HA TYR A 77 -8.738 -3.861 -2.517 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -9.661 -5.693 -3.729 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -11.040 -4.718 -3.263 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -11.812 -2.923 -5.018 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -9.423 -6.318 -6.017 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -12.501 -2.716 -7.362 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -10.113 -6.097 -8.369 1.00 0.00 H new ATOM 0 HH TYR A 77 -11.016 -4.601 -9.900 1.00 0.00 H new ATOM 1215 N VAL A 78 -7.123 -4.299 -4.507 1.00 0.00 N ATOM 1216 CA VAL A 78 -6.053 -4.245 -5.497 1.00 0.00 C ATOM 1217 C VAL A 78 -5.743 -5.626 -6.048 1.00 0.00 C ATOM 1218 O VAL A 78 -4.852 -6.315 -5.553 1.00 0.00 O ATOM 1219 CB VAL A 78 -4.756 -3.645 -4.930 1.00 0.00 C ATOM 1220 CG1 VAL A 78 -5.050 -2.403 -4.108 1.00 0.00 C ATOM 1221 CG2 VAL A 78 -3.995 -4.673 -4.105 1.00 0.00 C ATOM 0 H VAL A 78 -7.022 -5.039 -3.812 1.00 0.00 H new ATOM 0 HA VAL A 78 -6.419 -3.598 -6.294 1.00 0.00 H new ATOM 0 HB VAL A 78 -4.125 -3.354 -5.770 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -4.117 -1.996 -3.717 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -5.536 -1.657 -4.737 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -5.708 -2.663 -3.279 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -3.082 -4.223 -3.716 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -4.618 -5.007 -3.275 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -3.740 -5.527 -4.733 1.00 0.00 H new ATOM 1231 N ALA A 79 -6.478 -6.018 -7.078 1.00 0.00 N ATOM 1232 CA ALA A 79 -6.279 -7.314 -7.711 1.00 0.00 C ATOM 1233 C ALA A 79 -7.575 -8.114 -7.757 1.00 0.00 C ATOM 1234 O ALA A 79 -7.569 -9.313 -7.480 1.00 0.00 O ATOM 1235 CB ALA A 79 -5.212 -8.113 -6.970 1.00 0.00 C ATOM 0 H ALA A 79 -7.220 -5.455 -7.495 1.00 0.00 H new ATOM 0 HA ALA A 79 -5.949 -7.132 -8.734 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -5.077 -9.079 -7.457 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -4.270 -7.564 -6.985 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -5.525 -8.268 -5.938 1.00 0.00 H new ATOM 1241 N GLU A 80 -8.696 -7.460 -8.079 1.00 0.00 N ATOM 1242 CA GLU A 80 -9.973 -8.167 -8.108 1.00 0.00 C ATOM 1243 C GLU A 80 -9.897 -9.264 -7.070 1.00 0.00 C ATOM 1244 O GLU A 80 -10.432 -10.362 -7.228 1.00 0.00 O ATOM 1245 CB GLU A 80 -10.241 -8.744 -9.497 1.00 0.00 C ATOM 1246 CG GLU A 80 -10.367 -7.675 -10.567 1.00 0.00 C ATOM 1247 CD GLU A 80 -11.647 -7.799 -11.370 1.00 0.00 C ATOM 1248 OE1 GLU A 80 -12.086 -8.942 -11.614 1.00 0.00 O ATOM 1249 OE2 GLU A 80 -12.210 -6.753 -11.754 1.00 0.00 O ATOM 0 H GLU A 80 -8.743 -6.469 -8.317 1.00 0.00 H new ATOM 0 HA GLU A 80 -10.796 -7.488 -7.885 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -9.433 -9.425 -9.764 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -11.158 -9.333 -9.469 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -10.331 -6.692 -10.098 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -9.513 -7.739 -11.241 1.00 0.00 H new ATOM 1256 N LYS A 81 -9.154 -8.934 -6.029 1.00 0.00 N ATOM 1257 CA LYS A 81 -8.868 -9.821 -4.931 1.00 0.00 C ATOM 1258 C LYS A 81 -9.843 -9.653 -3.766 1.00 0.00 C ATOM 1259 O LYS A 81 -10.897 -10.288 -3.727 1.00 0.00 O ATOM 1260 CB LYS A 81 -7.449 -9.502 -4.491 1.00 0.00 C ATOM 1261 CG LYS A 81 -7.171 -8.007 -4.397 1.00 0.00 C ATOM 1262 CD LYS A 81 -6.123 -7.694 -3.341 1.00 0.00 C ATOM 1263 CE LYS A 81 -4.762 -8.257 -3.718 1.00 0.00 C ATOM 1264 NZ LYS A 81 -4.674 -9.722 -3.465 1.00 0.00 N ATOM 0 H LYS A 81 -8.724 -8.015 -5.927 1.00 0.00 H new ATOM 0 HA LYS A 81 -8.976 -10.857 -5.251 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -7.265 -9.961 -3.520 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -6.748 -9.952 -5.194 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -6.833 -7.638 -5.365 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -8.095 -7.479 -4.160 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -6.047 -6.614 -3.212 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -6.436 -8.109 -2.383 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -4.567 -8.059 -4.772 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -3.987 -7.744 -3.149 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -3.675 -10.005 -3.405 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -5.152 -9.949 -2.570 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -5.133 -10.237 -4.243 1.00 0.00 H new ATOM 1278 N TYR A 82 -9.475 -8.797 -2.820 1.00 0.00 N ATOM 1279 CA TYR A 82 -10.296 -8.536 -1.650 1.00 0.00 C ATOM 1280 C TYR A 82 -10.705 -7.076 -1.621 1.00 0.00 C ATOM 1281 O TYR A 82 -9.854 -6.186 -1.672 1.00 0.00 O ATOM 1282 CB TYR A 82 -9.534 -8.869 -0.360 1.00 0.00 C ATOM 1283 CG TYR A 82 -8.526 -9.991 -0.491 1.00 0.00 C ATOM 1284 CD1 TYR A 82 -7.601 -10.013 -1.527 1.00 0.00 C ATOM 1285 CD2 TYR A 82 -8.499 -11.027 0.431 1.00 0.00 C ATOM 1286 CE1 TYR A 82 -6.679 -11.033 -1.640 1.00 0.00 C ATOM 1287 CE2 TYR A 82 -7.580 -12.051 0.328 1.00 0.00 C ATOM 1288 CZ TYR A 82 -6.671 -12.051 -0.711 1.00 0.00 C ATOM 1289 OH TYR A 82 -5.754 -13.071 -0.820 1.00 0.00 O ATOM 0 H TYR A 82 -8.603 -8.268 -2.844 1.00 0.00 H new ATOM 0 HA TYR A 82 -11.181 -9.169 -1.711 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -9.017 -7.972 -0.018 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -10.255 -9.135 0.413 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -7.604 -9.217 -2.257 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -9.210 -11.032 1.244 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -5.967 -11.034 -2.452 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -7.572 -12.848 1.056 1.00 0.00 H new ATOM 0 HH TYR A 82 -5.883 -13.707 -0.085 1.00 0.00 H new ATOM 1299 N VAL A 83 -11.999 -6.823 -1.539 1.00 0.00 N ATOM 1300 CA VAL A 83 -12.481 -5.456 -1.505 1.00 0.00 C ATOM 1301 C VAL A 83 -12.862 -5.037 -0.097 1.00 0.00 C ATOM 1302 O VAL A 83 -13.382 -5.833 0.685 1.00 0.00 O ATOM 1303 CB VAL A 83 -13.676 -5.240 -2.444 1.00 0.00 C ATOM 1304 CG1 VAL A 83 -13.761 -3.777 -2.843 1.00 0.00 C ATOM 1305 CG2 VAL A 83 -13.558 -6.133 -3.669 1.00 0.00 C ATOM 0 H VAL A 83 -12.726 -7.537 -1.495 1.00 0.00 H new ATOM 0 HA VAL A 83 -11.656 -4.833 -1.851 1.00 0.00 H new ATOM 0 HB VAL A 83 -14.593 -5.510 -1.921 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -14.611 -3.630 -3.509 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -13.889 -3.163 -1.951 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -12.844 -3.486 -3.355 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -14.413 -5.967 -4.324 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -12.639 -5.896 -4.205 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -13.537 -7.177 -3.357 1.00 0.00 H new ATOM 1315 N PHE A 84 -12.588 -3.781 0.217 1.00 0.00 N ATOM 1316 CA PHE A 84 -12.889 -3.240 1.532 1.00 0.00 C ATOM 1317 C PHE A 84 -13.416 -1.814 1.423 1.00 0.00 C ATOM 1318 O PHE A 84 -13.559 -1.276 0.326 1.00 0.00 O ATOM 1319 CB PHE A 84 -11.640 -3.293 2.413 1.00 0.00 C ATOM 1320 CG PHE A 84 -10.898 -4.595 2.304 1.00 0.00 C ATOM 1321 CD1 PHE A 84 -10.003 -4.812 1.269 1.00 0.00 C ATOM 1322 CD2 PHE A 84 -11.104 -5.605 3.231 1.00 0.00 C ATOM 1323 CE1 PHE A 84 -9.326 -6.013 1.160 1.00 0.00 C ATOM 1324 CE2 PHE A 84 -10.428 -6.808 3.128 1.00 0.00 C ATOM 1325 CZ PHE A 84 -9.539 -7.013 2.091 1.00 0.00 C ATOM 0 H PHE A 84 -12.156 -3.115 -0.424 1.00 0.00 H new ATOM 0 HA PHE A 84 -13.668 -3.848 1.992 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -10.973 -2.477 2.137 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -11.928 -3.131 3.452 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -9.832 -4.035 0.539 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -11.800 -5.451 4.043 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -8.631 -6.170 0.348 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -10.595 -7.586 3.858 1.00 0.00 H new ATOM 0 HZ PHE A 84 -9.012 -7.952 2.007 1.00 0.00 H new ATOM 1335 N ASP A 85 -13.722 -1.214 2.565 1.00 0.00 N ATOM 1336 CA ASP A 85 -14.255 0.143 2.595 1.00 0.00 C ATOM 1337 C ASP A 85 -13.165 1.180 2.850 1.00 0.00 C ATOM 1338 O ASP A 85 -13.464 2.346 3.104 1.00 0.00 O ATOM 1339 CB ASP A 85 -15.338 0.258 3.668 1.00 0.00 C ATOM 1340 CG ASP A 85 -15.120 1.446 4.586 1.00 0.00 C ATOM 1341 OD1 ASP A 85 -15.439 2.580 4.173 1.00 0.00 O ATOM 1342 OD2 ASP A 85 -14.629 1.240 5.715 1.00 0.00 O ATOM 0 H ASP A 85 -13.611 -1.644 3.483 1.00 0.00 H new ATOM 0 HA ASP A 85 -14.685 0.346 1.614 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -16.313 0.347 3.188 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -15.357 -0.657 4.261 1.00 0.00 H new ATOM 1347 N SER A 86 -11.904 0.765 2.776 1.00 0.00 N ATOM 1348 CA SER A 86 -10.798 1.691 2.999 1.00 0.00 C ATOM 1349 C SER A 86 -9.440 1.003 2.895 1.00 0.00 C ATOM 1350 O SER A 86 -9.302 -0.208 3.130 1.00 0.00 O ATOM 1351 CB SER A 86 -10.933 2.364 4.366 1.00 0.00 C ATOM 1352 OG SER A 86 -12.245 2.223 4.881 1.00 0.00 O ATOM 0 H SER A 86 -11.624 -0.193 2.566 1.00 0.00 H new ATOM 0 HA SER A 86 -10.849 2.445 2.213 1.00 0.00 H new ATOM 0 HB2 SER A 86 -10.218 1.926 5.062 1.00 0.00 H new ATOM 0 HB3 SER A 86 -10.686 3.422 4.279 1.00 0.00 H new ATOM 0 HG SER A 86 -12.867 2.753 4.340 1.00 0.00 H new ATOM 1358 N ILE A 87 -8.433 1.798 2.547 1.00 0.00 N ATOM 1359 CA ILE A 87 -7.075 1.300 2.412 1.00 0.00 C ATOM 1360 C ILE A 87 -6.617 0.612 3.690 1.00 0.00 C ATOM 1361 O ILE A 87 -6.092 -0.494 3.648 1.00 0.00 O ATOM 1362 CB ILE A 87 -6.073 2.423 2.085 1.00 0.00 C ATOM 1363 CG1 ILE A 87 -6.280 2.970 0.671 1.00 0.00 C ATOM 1364 CG2 ILE A 87 -4.652 1.906 2.240 1.00 0.00 C ATOM 1365 CD1 ILE A 87 -7.552 2.504 0.004 1.00 0.00 C ATOM 0 H ILE A 87 -8.536 2.794 2.353 1.00 0.00 H new ATOM 0 HA ILE A 87 -7.094 0.589 1.586 1.00 0.00 H new ATOM 0 HB ILE A 87 -6.244 3.241 2.785 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -6.283 4.059 0.712 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -5.431 2.677 0.053 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -3.947 2.704 2.008 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -4.496 1.572 3.266 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -4.492 1.071 1.558 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -7.620 2.938 -0.994 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -7.545 1.417 -0.073 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -8.410 2.820 0.596 1.00 0.00 H new ATOM 1377 N PRO A 88 -6.805 1.257 4.856 1.00 0.00 N ATOM 1378 CA PRO A 88 -6.390 0.682 6.136 1.00 0.00 C ATOM 1379 C PRO A 88 -6.938 -0.721 6.313 1.00 0.00 C ATOM 1380 O PRO A 88 -6.194 -1.651 6.618 1.00 0.00 O ATOM 1381 CB PRO A 88 -6.978 1.634 7.185 1.00 0.00 C ATOM 1382 CG PRO A 88 -7.906 2.541 6.441 1.00 0.00 C ATOM 1383 CD PRO A 88 -7.417 2.578 5.020 1.00 0.00 C ATOM 0 HA PRO A 88 -5.307 0.589 6.214 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -7.510 1.081 7.960 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -6.191 2.202 7.682 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -8.931 2.172 6.489 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -7.906 3.540 6.878 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -8.233 2.737 4.315 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -6.697 3.381 4.860 1.00 0.00 H new ATOM 1391 N LEU A 89 -8.229 -0.884 6.071 1.00 0.00 N ATOM 1392 CA LEU A 89 -8.835 -2.199 6.156 1.00 0.00 C ATOM 1393 C LEU A 89 -8.248 -3.044 5.042 1.00 0.00 C ATOM 1394 O LEU A 89 -7.737 -4.148 5.269 1.00 0.00 O ATOM 1395 CB LEU A 89 -10.359 -2.124 6.018 1.00 0.00 C ATOM 1396 CG LEU A 89 -10.899 -0.828 5.416 1.00 0.00 C ATOM 1397 CD1 LEU A 89 -12.086 -1.120 4.521 1.00 0.00 C ATOM 1398 CD2 LEU A 89 -11.279 0.152 6.515 1.00 0.00 C ATOM 0 H LEU A 89 -8.869 -0.131 5.817 1.00 0.00 H new ATOM 0 HA LEU A 89 -8.625 -2.639 7.131 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -10.692 -2.958 5.401 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -10.803 -2.260 7.004 1.00 0.00 H new ATOM 0 HG LEU A 89 -10.116 -0.371 4.810 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -12.461 -0.188 4.098 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -11.779 -1.786 3.715 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -12.873 -1.596 5.105 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -11.662 1.070 6.068 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -12.048 -0.291 7.148 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -10.400 0.381 7.118 1.00 0.00 H new ATOM 1410 N LEU A 90 -8.286 -2.484 3.834 1.00 0.00 N ATOM 1411 CA LEU A 90 -7.723 -3.150 2.674 1.00 0.00 C ATOM 1412 C LEU A 90 -6.254 -3.474 2.940 1.00 0.00 C ATOM 1413 O LEU A 90 -5.750 -4.519 2.528 1.00 0.00 O ATOM 1414 CB LEU A 90 -7.876 -2.262 1.441 1.00 0.00 C ATOM 1415 CG LEU A 90 -7.596 -2.950 0.105 1.00 0.00 C ATOM 1416 CD1 LEU A 90 -8.584 -2.479 -0.950 1.00 0.00 C ATOM 1417 CD2 LEU A 90 -6.166 -2.684 -0.341 1.00 0.00 C ATOM 0 H LEU A 90 -8.701 -1.573 3.639 1.00 0.00 H new ATOM 0 HA LEU A 90 -8.256 -4.082 2.487 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -8.891 -1.866 1.422 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -7.203 -1.410 1.541 1.00 0.00 H new ATOM 0 HG LEU A 90 -7.719 -4.025 0.235 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -8.372 -2.978 -1.896 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -9.598 -2.720 -0.632 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -8.491 -1.401 -1.080 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -5.984 -3.181 -1.294 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -6.015 -1.611 -0.457 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -5.474 -3.069 0.408 1.00 0.00 H new ATOM 1429 N ILE A 91 -5.584 -2.580 3.668 1.00 0.00 N ATOM 1430 CA ILE A 91 -4.185 -2.774 4.035 1.00 0.00 C ATOM 1431 C ILE A 91 -4.111 -3.733 5.207 1.00 0.00 C ATOM 1432 O ILE A 91 -3.331 -4.685 5.206 1.00 0.00 O ATOM 1433 CB ILE A 91 -3.492 -1.450 4.432 1.00 0.00 C ATOM 1434 CG1 ILE A 91 -3.571 -0.442 3.291 1.00 0.00 C ATOM 1435 CG2 ILE A 91 -2.036 -1.706 4.808 1.00 0.00 C ATOM 1436 CD1 ILE A 91 -2.947 -0.947 2.016 1.00 0.00 C ATOM 0 H ILE A 91 -5.992 -1.712 4.015 1.00 0.00 H new ATOM 0 HA ILE A 91 -3.668 -3.174 3.163 1.00 0.00 H new ATOM 0 HB ILE A 91 -4.010 -1.036 5.297 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -4.616 -0.194 3.104 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -3.073 0.480 3.593 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -1.561 -0.765 5.085 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -1.994 -2.396 5.651 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -1.511 -2.140 3.957 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -3.035 -0.185 1.241 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -1.894 -1.169 2.189 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -3.460 -1.853 1.694 1.00 0.00 H new ATOM 1448 N GLN A 92 -4.957 -3.480 6.203 1.00 0.00 N ATOM 1449 CA GLN A 92 -5.020 -4.327 7.379 1.00 0.00 C ATOM 1450 C GLN A 92 -5.254 -5.763 6.945 1.00 0.00 C ATOM 1451 O GLN A 92 -4.702 -6.698 7.525 1.00 0.00 O ATOM 1452 CB GLN A 92 -6.141 -3.870 8.315 1.00 0.00 C ATOM 1453 CG GLN A 92 -5.788 -2.635 9.130 1.00 0.00 C ATOM 1454 CD GLN A 92 -4.312 -2.559 9.466 1.00 0.00 C ATOM 1455 OE1 GLN A 92 -3.485 -2.337 8.452 1.00 0.00 O flip ATOM 1456 NE2 GLN A 92 -3.919 -2.698 10.625 1.00 0.00 N flip ATOM 0 H GLN A 92 -5.606 -2.694 6.214 1.00 0.00 H new ATOM 0 HA GLN A 92 -4.077 -4.256 7.921 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -7.034 -3.663 7.725 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -6.390 -4.685 8.995 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -6.076 -1.743 8.574 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -6.367 -2.636 10.053 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -4.590 -2.867 11.374 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -2.922 -2.644 10.836 1.00 0.00 H new ATOM 1465 N TYR A 93 -6.067 -5.932 5.903 1.00 0.00 N ATOM 1466 CA TYR A 93 -6.353 -7.257 5.385 1.00 0.00 C ATOM 1467 C TYR A 93 -5.102 -7.856 4.748 1.00 0.00 C ATOM 1468 O TYR A 93 -4.759 -9.007 5.009 1.00 0.00 O ATOM 1469 CB TYR A 93 -7.483 -7.207 4.360 1.00 0.00 C ATOM 1470 CG TYR A 93 -7.045 -7.629 2.981 1.00 0.00 C ATOM 1471 CD1 TYR A 93 -6.692 -8.947 2.714 1.00 0.00 C ATOM 1472 CD2 TYR A 93 -6.971 -6.708 1.948 1.00 0.00 C ATOM 1473 CE1 TYR A 93 -6.276 -9.330 1.455 1.00 0.00 C ATOM 1474 CE2 TYR A 93 -6.561 -7.083 0.688 1.00 0.00 C ATOM 1475 CZ TYR A 93 -6.213 -8.395 0.445 1.00 0.00 C ATOM 1476 OH TYR A 93 -5.795 -8.771 -0.810 1.00 0.00 O ATOM 0 H TYR A 93 -6.533 -5.171 5.409 1.00 0.00 H new ATOM 0 HA TYR A 93 -6.667 -7.886 6.217 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -8.296 -7.854 4.691 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -7.881 -6.193 4.315 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -6.744 -9.682 3.504 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -7.239 -5.679 2.134 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -6.001 -10.357 1.263 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -6.512 -6.353 -0.106 1.00 0.00 H new ATOM 0 HH TYR A 93 -6.382 -9.477 -1.152 1.00 0.00 H new ATOM 1486 N HIS A 94 -4.406 -7.072 3.923 1.00 0.00 N ATOM 1487 CA HIS A 94 -3.190 -7.560 3.284 1.00 0.00 C ATOM 1488 C HIS A 94 -2.117 -7.815 4.330 1.00 0.00 C ATOM 1489 O HIS A 94 -1.472 -8.863 4.342 1.00 0.00 O ATOM 1490 CB HIS A 94 -2.652 -6.548 2.279 1.00 0.00 C ATOM 1491 CG HIS A 94 -3.528 -6.307 1.093 1.00 0.00 C ATOM 1492 ND1 HIS A 94 -4.234 -5.213 0.724 1.00 0.00 N flip ATOM 1493 CD2 HIS A 94 -3.715 -7.239 0.098 1.00 0.00 C flip ATOM 1494 CE1 HIS A 94 -4.825 -5.500 -0.481 1.00 0.00 C flip ATOM 1495 NE2 HIS A 94 -4.495 -6.728 -0.837 1.00 0.00 N flip ATOM 0 H HIS A 94 -4.660 -6.113 3.686 1.00 0.00 H new ATOM 0 HA HIS A 94 -3.440 -8.485 2.764 1.00 0.00 H new ATOM 0 HB2 HIS A 94 -2.492 -5.600 2.792 1.00 0.00 H new ATOM 0 HB3 HIS A 94 -1.678 -6.889 1.929 1.00 0.00 H new ATOM 0 HD1 HIS A 94 -4.312 -4.339 1.244 1.00 0.00 H new ATOM 0 HD2 HIS A 94 -3.291 -8.232 0.084 1.00 0.00 H new ATOM 0 HE1 HIS A 94 -5.457 -4.831 -1.046 1.00 0.00 H new ATOM 1504 N GLN A 95 -1.926 -6.828 5.196 1.00 0.00 N ATOM 1505 CA GLN A 95 -0.925 -6.900 6.247 1.00 0.00 C ATOM 1506 C GLN A 95 -1.010 -8.215 7.015 1.00 0.00 C ATOM 1507 O GLN A 95 0.005 -8.854 7.289 1.00 0.00 O ATOM 1508 CB GLN A 95 -1.100 -5.729 7.211 1.00 0.00 C ATOM 1509 CG GLN A 95 -0.666 -4.399 6.620 1.00 0.00 C ATOM 1510 CD GLN A 95 -0.915 -3.231 7.551 1.00 0.00 C ATOM 1511 OE1 GLN A 95 -1.323 -3.410 8.699 1.00 0.00 O ATOM 1512 NE2 GLN A 95 -0.668 -2.023 7.059 1.00 0.00 N ATOM 0 H GLN A 95 -2.460 -5.959 5.188 1.00 0.00 H new ATOM 0 HA GLN A 95 0.057 -6.848 5.777 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -2.147 -5.664 7.507 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -0.524 -5.922 8.116 1.00 0.00 H new ATOM 0 HG2 GLN A 95 0.396 -4.444 6.378 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -1.200 -4.231 5.684 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -0.331 -1.921 6.102 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -0.815 -1.196 7.638 1.00 0.00 H new ATOM 1521 N TYR A 96 -2.228 -8.599 7.380 1.00 0.00 N ATOM 1522 CA TYR A 96 -2.453 -9.819 8.139 1.00 0.00 C ATOM 1523 C TYR A 96 -3.084 -10.918 7.297 1.00 0.00 C ATOM 1524 O TYR A 96 -3.074 -12.085 7.687 1.00 0.00 O ATOM 1525 CB TYR A 96 -3.333 -9.514 9.336 1.00 0.00 C ATOM 1526 CG TYR A 96 -4.776 -9.834 9.103 1.00 0.00 C ATOM 1527 CD1 TYR A 96 -5.189 -11.146 9.027 1.00 0.00 C ATOM 1528 CD2 TYR A 96 -5.720 -8.830 8.965 1.00 0.00 C ATOM 1529 CE1 TYR A 96 -6.514 -11.464 8.818 1.00 0.00 C ATOM 1530 CE2 TYR A 96 -7.051 -9.133 8.758 1.00 0.00 C ATOM 1531 CZ TYR A 96 -7.444 -10.454 8.684 1.00 0.00 C ATOM 1532 OH TYR A 96 -8.769 -10.763 8.478 1.00 0.00 O ATOM 0 H TYR A 96 -3.077 -8.079 7.160 1.00 0.00 H new ATOM 0 HA TYR A 96 -1.481 -10.186 8.470 1.00 0.00 H new ATOM 0 HB2 TYR A 96 -2.976 -10.081 10.195 1.00 0.00 H new ATOM 0 HB3 TYR A 96 -3.238 -8.458 9.589 1.00 0.00 H new ATOM 0 HD1 TYR A 96 -4.463 -11.938 9.133 1.00 0.00 H new ATOM 0 HD2 TYR A 96 -5.411 -7.797 9.020 1.00 0.00 H new ATOM 0 HE1 TYR A 96 -6.822 -12.497 8.760 1.00 0.00 H new ATOM 0 HE2 TYR A 96 -7.779 -8.342 8.655 1.00 0.00 H new ATOM 0 HH TYR A 96 -9.290 -9.936 8.406 1.00 0.00 H new ATOM 1542 N ASN A 97 -3.631 -10.556 6.145 1.00 0.00 N ATOM 1543 CA ASN A 97 -4.254 -11.547 5.281 1.00 0.00 C ATOM 1544 C ASN A 97 -3.491 -11.693 3.968 1.00 0.00 C ATOM 1545 O ASN A 97 -3.155 -10.703 3.318 1.00 0.00 O ATOM 1546 CB ASN A 97 -5.716 -11.188 5.007 1.00 0.00 C ATOM 1547 CG ASN A 97 -6.667 -12.214 5.582 1.00 0.00 C ATOM 1548 OD1 ASN A 97 -6.335 -12.719 6.764 1.00 0.00 O flip ATOM 1549 ND2 ASN A 97 -7.683 -12.551 4.974 1.00 0.00 N flip ATOM 0 H ASN A 97 -3.656 -9.600 5.792 1.00 0.00 H new ATOM 0 HA ASN A 97 -4.222 -12.504 5.801 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -5.936 -10.210 5.435 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -5.875 -11.109 3.932 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -7.897 -12.135 4.068 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -8.311 -13.246 5.377 1.00 0.00 H new ATOM 1556 N GLY A 98 -3.220 -12.938 3.587 1.00 0.00 N ATOM 1557 CA GLY A 98 -2.496 -13.202 2.356 1.00 0.00 C ATOM 1558 C GLY A 98 -2.638 -12.084 1.341 1.00 0.00 C ATOM 1559 O GLY A 98 -1.665 -11.699 0.694 1.00 0.00 O ATOM 0 H GLY A 98 -3.490 -13.771 4.110 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -1.440 -13.347 2.585 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -2.859 -14.132 1.919 1.00 0.00 H new ATOM 1563 N GLY A 99 -3.853 -11.564 1.200 1.00 0.00 N ATOM 1564 CA GLY A 99 -4.093 -10.491 0.254 1.00 0.00 C ATOM 1565 C GLY A 99 -2.970 -10.339 -0.753 1.00 0.00 C ATOM 1566 O GLY A 99 -2.318 -9.296 -0.813 1.00 0.00 O ATOM 0 H GLY A 99 -4.675 -11.866 1.724 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -5.027 -10.680 -0.275 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -4.218 -9.554 0.797 1.00 0.00 H new ATOM 1570 N GLY A 100 -2.741 -11.382 -1.544 1.00 0.00 N ATOM 1571 CA GLY A 100 -1.687 -11.340 -2.543 1.00 0.00 C ATOM 1572 C GLY A 100 -0.673 -10.247 -2.269 1.00 0.00 C ATOM 1573 O GLY A 100 -0.240 -10.065 -1.131 1.00 0.00 O ATOM 0 H GLY A 100 -3.266 -12.256 -1.512 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -1.179 -12.304 -2.572 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -2.129 -11.183 -3.527 1.00 0.00 H new ATOM 1577 N LEU A 101 -0.295 -9.517 -3.313 1.00 0.00 N ATOM 1578 CA LEU A 101 0.674 -8.435 -3.176 1.00 0.00 C ATOM 1579 C LEU A 101 2.066 -8.987 -2.875 1.00 0.00 C ATOM 1580 O LEU A 101 2.213 -10.147 -2.489 1.00 0.00 O ATOM 1581 CB LEU A 101 0.233 -7.475 -2.069 1.00 0.00 C ATOM 1582 CG LEU A 101 -0.702 -6.351 -2.520 1.00 0.00 C ATOM 1583 CD1 LEU A 101 -2.031 -6.919 -2.995 1.00 0.00 C ATOM 1584 CD2 LEU A 101 -0.915 -5.355 -1.389 1.00 0.00 C ATOM 0 H LEU A 101 -0.644 -9.654 -4.262 1.00 0.00 H new ATOM 0 HA LEU A 101 0.721 -7.892 -4.120 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -0.265 -8.050 -1.288 1.00 0.00 H new ATOM 0 HB3 LEU A 101 1.121 -7.030 -1.620 1.00 0.00 H new ATOM 0 HG LEU A 101 -0.238 -5.828 -3.356 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -2.682 -6.104 -3.312 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -1.859 -7.593 -3.834 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -2.505 -7.467 -2.180 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -1.582 -4.561 -1.724 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -1.359 -5.865 -0.534 1.00 0.00 H new ATOM 0 HD23 LEU A 101 0.043 -4.925 -1.098 1.00 0.00 H new ATOM 1596 N VAL A 102 3.085 -8.151 -3.057 1.00 0.00 N ATOM 1597 CA VAL A 102 4.464 -8.561 -2.809 1.00 0.00 C ATOM 1598 C VAL A 102 4.554 -9.520 -1.628 1.00 0.00 C ATOM 1599 O VAL A 102 5.265 -10.523 -1.684 1.00 0.00 O ATOM 1600 CB VAL A 102 5.381 -7.353 -2.540 1.00 0.00 C ATOM 1601 CG1 VAL A 102 5.722 -6.640 -3.839 1.00 0.00 C ATOM 1602 CG2 VAL A 102 4.734 -6.395 -1.551 1.00 0.00 C ATOM 0 H VAL A 102 2.982 -7.187 -3.375 1.00 0.00 H new ATOM 0 HA VAL A 102 4.801 -9.067 -3.714 1.00 0.00 H new ATOM 0 HB VAL A 102 6.308 -7.719 -2.099 1.00 0.00 H new ATOM 0 HG11 VAL A 102 6.370 -5.790 -3.628 1.00 0.00 H new ATOM 0 HG12 VAL A 102 6.235 -7.330 -4.509 1.00 0.00 H new ATOM 0 HG13 VAL A 102 4.805 -6.288 -4.313 1.00 0.00 H new ATOM 0 HG21 VAL A 102 5.399 -5.549 -1.376 1.00 0.00 H new ATOM 0 HG22 VAL A 102 3.789 -6.035 -1.958 1.00 0.00 H new ATOM 0 HG23 VAL A 102 4.550 -6.913 -0.610 1.00 0.00 H new ATOM 1612 N THR A 103 3.834 -9.204 -0.557 1.00 0.00 N ATOM 1613 CA THR A 103 3.839 -10.039 0.637 1.00 0.00 C ATOM 1614 C THR A 103 2.700 -9.657 1.573 1.00 0.00 C ATOM 1615 O THR A 103 2.890 -9.533 2.782 1.00 0.00 O ATOM 1616 CB THR A 103 5.177 -9.913 1.368 1.00 0.00 C ATOM 1617 OG1 THR A 103 5.003 -10.072 2.764 1.00 0.00 O ATOM 1618 CG2 THR A 103 5.863 -8.583 1.138 1.00 0.00 C ATOM 0 H THR A 103 3.241 -8.377 -0.492 1.00 0.00 H new ATOM 0 HA THR A 103 3.698 -11.074 0.325 1.00 0.00 H new ATOM 0 HB THR A 103 5.806 -10.703 0.957 1.00 0.00 H new ATOM 0 HG1 THR A 103 4.308 -9.457 3.079 1.00 0.00 H new ATOM 0 HG21 THR A 103 6.806 -8.560 1.685 1.00 0.00 H new ATOM 0 HG22 THR A 103 6.058 -8.453 0.073 1.00 0.00 H new ATOM 0 HG23 THR A 103 5.220 -7.776 1.490 1.00 0.00 H new ATOM 1626 N ARG A 104 1.512 -9.474 1.004 1.00 0.00 N ATOM 1627 CA ARG A 104 0.339 -9.108 1.787 1.00 0.00 C ATOM 1628 C ARG A 104 0.690 -8.069 2.847 1.00 0.00 C ATOM 1629 O ARG A 104 0.600 -8.338 4.045 1.00 0.00 O ATOM 1630 CB ARG A 104 -0.260 -10.349 2.452 1.00 0.00 C ATOM 1631 CG ARG A 104 0.408 -10.720 3.765 1.00 0.00 C ATOM 1632 CD ARG A 104 0.350 -12.218 4.015 1.00 0.00 C ATOM 1633 NE ARG A 104 1.621 -12.741 4.508 1.00 0.00 N ATOM 1634 CZ ARG A 104 2.736 -12.763 3.787 1.00 0.00 C ATOM 1635 NH1 ARG A 104 2.737 -12.293 2.547 1.00 0.00 N ATOM 1636 NH2 ARG A 104 3.853 -13.256 4.304 1.00 0.00 N ATOM 0 H ARG A 104 1.338 -9.573 0.004 1.00 0.00 H new ATOM 0 HA ARG A 104 -0.396 -8.673 1.110 1.00 0.00 H new ATOM 0 HB2 ARG A 104 -1.322 -10.178 2.630 1.00 0.00 H new ATOM 0 HB3 ARG A 104 -0.183 -11.192 1.765 1.00 0.00 H new ATOM 0 HG2 ARG A 104 1.447 -10.392 3.751 1.00 0.00 H new ATOM 0 HG3 ARG A 104 -0.081 -10.194 4.585 1.00 0.00 H new ATOM 0 HD2 ARG A 104 -0.436 -12.434 4.739 1.00 0.00 H new ATOM 0 HD3 ARG A 104 0.082 -12.730 3.091 1.00 0.00 H new ATOM 0 HE ARG A 104 1.654 -13.110 5.458 1.00 0.00 H new ATOM 0 HH11 ARG A 104 1.880 -11.913 2.145 1.00 0.00 H new ATOM 0 HH12 ARG A 104 3.595 -12.311 1.995 1.00 0.00 H new ATOM 0 HH21 ARG A 104 3.857 -13.619 5.257 1.00 0.00 H new ATOM 0 HH22 ARG A 104 4.708 -13.272 3.749 1.00 0.00 H new ATOM 1650 N LEU A 105 1.089 -6.882 2.403 1.00 0.00 N ATOM 1651 CA LEU A 105 1.448 -5.810 3.322 1.00 0.00 C ATOM 1652 C LEU A 105 2.311 -6.348 4.450 1.00 0.00 C ATOM 1653 O LEU A 105 1.850 -6.525 5.578 1.00 0.00 O ATOM 1654 CB LEU A 105 0.192 -5.157 3.887 1.00 0.00 C ATOM 1655 CG LEU A 105 -0.636 -4.387 2.870 1.00 0.00 C ATOM 1656 CD1 LEU A 105 -0.035 -3.026 2.691 1.00 0.00 C ATOM 1657 CD2 LEU A 105 -0.685 -5.113 1.537 1.00 0.00 C ATOM 0 H LEU A 105 1.172 -6.639 1.416 1.00 0.00 H new ATOM 0 HA LEU A 105 2.018 -5.059 2.774 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -0.433 -5.930 4.334 1.00 0.00 H new ATOM 0 HB3 LEU A 105 0.481 -4.478 4.689 1.00 0.00 H new ATOM 0 HG LEU A 105 -1.659 -4.302 3.238 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -0.620 -2.463 1.964 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -0.038 -2.499 3.645 1.00 0.00 H new ATOM 0 HD13 LEU A 105 0.990 -3.125 2.334 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -1.284 -4.538 0.831 1.00 0.00 H new ATOM 0 HD22 LEU A 105 0.326 -5.226 1.147 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -1.133 -6.097 1.675 1.00 0.00 H new ATOM 1669 N ARG A 106 3.567 -6.616 4.135 1.00 0.00 N ATOM 1670 CA ARG A 106 4.502 -7.147 5.117 1.00 0.00 C ATOM 1671 C ARG A 106 4.744 -6.147 6.239 1.00 0.00 C ATOM 1672 O ARG A 106 4.752 -6.510 7.415 1.00 0.00 O ATOM 1673 CB ARG A 106 5.828 -7.507 4.449 1.00 0.00 C ATOM 1674 CG ARG A 106 6.821 -8.178 5.385 1.00 0.00 C ATOM 1675 CD ARG A 106 6.120 -8.863 6.548 1.00 0.00 C ATOM 1676 NE ARG A 106 5.746 -10.238 6.227 1.00 0.00 N ATOM 1677 CZ ARG A 106 6.606 -11.252 6.219 1.00 0.00 C ATOM 1678 NH1 ARG A 106 7.882 -11.044 6.511 1.00 0.00 N ATOM 1679 NH2 ARG A 106 6.188 -12.475 5.921 1.00 0.00 N ATOM 0 H ARG A 106 3.965 -6.475 3.206 1.00 0.00 H new ATOM 0 HA ARG A 106 4.061 -8.047 5.546 1.00 0.00 H new ATOM 0 HB2 ARG A 106 5.632 -8.169 3.606 1.00 0.00 H new ATOM 0 HB3 ARG A 106 6.279 -6.601 4.044 1.00 0.00 H new ATOM 0 HG2 ARG A 106 7.407 -8.911 4.830 1.00 0.00 H new ATOM 0 HG3 ARG A 106 7.520 -7.435 5.768 1.00 0.00 H new ATOM 0 HD2 ARG A 106 6.775 -8.859 7.419 1.00 0.00 H new ATOM 0 HD3 ARG A 106 5.228 -8.298 6.817 1.00 0.00 H new ATOM 0 HE ARG A 106 4.771 -10.431 5.996 1.00 0.00 H new ATOM 0 HH11 ARG A 106 8.206 -10.105 6.742 1.00 0.00 H new ATOM 0 HH12 ARG A 106 8.540 -11.823 6.504 1.00 0.00 H new ATOM 0 HH21 ARG A 106 5.206 -12.638 5.698 1.00 0.00 H new ATOM 0 HH22 ARG A 106 6.848 -13.252 5.915 1.00 0.00 H new ATOM 1693 N TYR A 107 4.954 -4.889 5.870 1.00 0.00 N ATOM 1694 CA TYR A 107 5.209 -3.847 6.854 1.00 0.00 C ATOM 1695 C TYR A 107 5.122 -2.452 6.252 1.00 0.00 C ATOM 1696 O TYR A 107 5.984 -2.047 5.473 1.00 0.00 O ATOM 1697 CB TYR A 107 6.585 -4.027 7.468 1.00 0.00 C ATOM 1698 CG TYR A 107 6.964 -2.856 8.328 1.00 0.00 C ATOM 1699 CD1 TYR A 107 6.570 -2.799 9.652 1.00 0.00 C ATOM 1700 CD2 TYR A 107 7.691 -1.798 7.808 1.00 0.00 C ATOM 1701 CE1 TYR A 107 6.892 -1.720 10.441 1.00 0.00 C ATOM 1702 CE2 TYR A 107 8.025 -0.713 8.590 1.00 0.00 C ATOM 1703 CZ TYR A 107 7.622 -0.677 9.910 1.00 0.00 C ATOM 1704 OH TYR A 107 7.946 0.405 10.697 1.00 0.00 O ATOM 0 H TYR A 107 4.953 -4.568 4.902 1.00 0.00 H new ATOM 0 HA TYR A 107 4.437 -3.941 7.618 1.00 0.00 H new ATOM 0 HB2 TYR A 107 6.601 -4.938 8.066 1.00 0.00 H new ATOM 0 HB3 TYR A 107 7.324 -4.152 6.676 1.00 0.00 H new ATOM 0 HD1 TYR A 107 6.001 -3.614 10.073 1.00 0.00 H new ATOM 0 HD2 TYR A 107 8.001 -1.823 6.774 1.00 0.00 H new ATOM 0 HE1 TYR A 107 6.575 -1.689 11.473 1.00 0.00 H new ATOM 0 HE2 TYR A 107 8.597 0.103 8.173 1.00 0.00 H new ATOM 0 HH TYR A 107 8.086 1.192 10.130 1.00 0.00 H new ATOM 1714 N PRO A 108 4.089 -1.689 6.626 1.00 0.00 N ATOM 1715 CA PRO A 108 3.909 -0.325 6.140 1.00 0.00 C ATOM 1716 C PRO A 108 5.176 0.512 6.331 1.00 0.00 C ATOM 1717 O PRO A 108 5.918 0.314 7.293 1.00 0.00 O ATOM 1718 CB PRO A 108 2.759 0.229 6.993 1.00 0.00 C ATOM 1719 CG PRO A 108 2.508 -0.781 8.067 1.00 0.00 C ATOM 1720 CD PRO A 108 3.030 -2.090 7.557 1.00 0.00 C ATOM 0 HA PRO A 108 3.696 -0.296 5.071 1.00 0.00 H new ATOM 0 HB2 PRO A 108 3.024 1.195 7.422 1.00 0.00 H new ATOM 0 HB3 PRO A 108 1.866 0.383 6.388 1.00 0.00 H new ATOM 0 HG2 PRO A 108 3.012 -0.497 8.991 1.00 0.00 H new ATOM 0 HG3 PRO A 108 1.444 -0.850 8.292 1.00 0.00 H new ATOM 0 HD2 PRO A 108 3.418 -2.711 8.365 1.00 0.00 H new ATOM 0 HD3 PRO A 108 2.252 -2.667 7.057 1.00 0.00 H new ATOM 1728 N VAL A 109 5.425 1.435 5.407 1.00 0.00 N ATOM 1729 CA VAL A 109 6.603 2.288 5.471 1.00 0.00 C ATOM 1730 C VAL A 109 6.209 3.758 5.504 1.00 0.00 C ATOM 1731 O VAL A 109 5.185 4.147 4.942 1.00 0.00 O ATOM 1732 CB VAL A 109 7.529 2.052 4.264 1.00 0.00 C ATOM 1733 CG1 VAL A 109 8.529 0.943 4.558 1.00 0.00 C ATOM 1734 CG2 VAL A 109 6.708 1.730 3.024 1.00 0.00 C ATOM 0 H VAL A 109 4.823 1.610 4.603 1.00 0.00 H new ATOM 0 HA VAL A 109 7.133 2.031 6.388 1.00 0.00 H new ATOM 0 HB VAL A 109 8.091 2.966 4.075 1.00 0.00 H new ATOM 0 HG11 VAL A 109 9.173 0.794 3.691 1.00 0.00 H new ATOM 0 HG12 VAL A 109 9.138 1.221 5.418 1.00 0.00 H new ATOM 0 HG13 VAL A 109 7.994 0.019 4.776 1.00 0.00 H new ATOM 0 HG21 VAL A 109 7.376 1.565 2.178 1.00 0.00 H new ATOM 0 HG22 VAL A 109 6.119 0.830 3.201 1.00 0.00 H new ATOM 0 HG23 VAL A 109 6.041 2.563 2.803 1.00 0.00 H new ATOM 1744 N CYS A 110 7.025 4.573 6.160 1.00 0.00 N ATOM 1745 CA CYS A 110 6.756 6.000 6.256 1.00 0.00 C ATOM 1746 C CYS A 110 8.029 6.808 6.039 1.00 0.00 C ATOM 1747 O CYS A 110 8.735 7.145 6.989 1.00 0.00 O ATOM 1748 CB CYS A 110 6.144 6.333 7.618 1.00 0.00 C ATOM 1749 SG CYS A 110 6.688 7.916 8.304 1.00 0.00 S ATOM 0 H CYS A 110 7.877 4.270 6.632 1.00 0.00 H new ATOM 0 HA CYS A 110 6.045 6.267 5.474 1.00 0.00 H new ATOM 0 HB2 CYS A 110 5.058 6.344 7.524 1.00 0.00 H new ATOM 0 HB3 CYS A 110 6.395 5.539 8.321 1.00 0.00 H new ATOM 0 HG CYS A 110 7.986 7.976 8.280 1.00 0.00 H new ATOM 1755 N GLY A 111 8.314 7.113 4.779 1.00 0.00 N ATOM 1756 CA GLY A 111 9.501 7.879 4.450 1.00 0.00 C ATOM 1757 C GLY A 111 9.480 9.270 5.055 1.00 0.00 C ATOM 1758 O GLY A 111 9.540 9.423 6.274 1.00 0.00 O ATOM 0 H GLY A 111 7.743 6.843 3.978 1.00 0.00 H new ATOM 0 HA2 GLY A 111 10.383 7.346 4.804 1.00 0.00 H new ATOM 0 HA3 GLY A 111 9.590 7.959 3.367 1.00 0.00 H new HETATM 1762 N NH2 A 112 9.397 10.289 4.208 1.00 0.00 N TER 1765 NH2 A 112