USER MOD reduce.3.24.130724 H: found=0, std=0, add=877, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 877 hydrogens (5 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 93 TYR OH : rot 58:sc= -10.4! USER MOD Set 1.2: A 94 HIS :FLIP+bothHN:sc= -26.8! C(o=-42!,f=-37!) USER MOD Set 2.1: A 39 SER OG : rot -175:sc= 0.44 USER MOD Set 2.2: A 46 THR OG1 : rot 73:sc= -3.43! USER MOD Set 2.3: A 65 HIS : no HE2:sc= -22.9! C(o=-26!,f=-38!) USER MOD Set 3.1: A 62 LYS NZ :NH3+ -161:sc= 1.57 (180deg=-0.879) USER MOD Set 3.2: A 64 TYR OH : rot 180:sc= -2.3! USER MOD Set 4.1: A 48 SER OG : rot 157:sc= 0.98 USER MOD Set 4.2: A 63 HIS : no HD1:sc= -5.72! C(o=-4.7!,f=-6.4!) USER MOD Set 5.1: A 56 SER OG : rot -39:sc= 0.107 USER MOD Set 5.2: A 58 ASN : amide:sc= 0.11 X(o=0.22,f=-0.017) USER MOD Set 6.1: A 13 ASN : amide:sc= -27.7! C(o=-65!,f=-68!) USER MOD Set 6.2: A 35 MET CE :methyl -154:sc= -37.4! (180deg=-33.8!) USER MOD Single : A 4 ASN :FLIP amide:sc= -0.124 F(o=-0.79,f=-0.12) USER MOD Single : A 5 ASN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 TYR OH : rot 165:sc= -2.99! USER MOD Single : A 12 TYR OH : rot -150:sc= -2.24! USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 SER OG : rot 180:sc= 0.0958 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 162:sc= -1.12! (180deg=-1.77!) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 THR OG1 : rot 60:sc= -7.34! USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 THR OG1 : rot 180:sc= -4.45! USER MOD Single : A 44 THR OG1 : rot -158:sc= -2.34! USER MOD Single : A 45 TYR OH : rot 73:sc= 0.0839 USER MOD Single : A 51 THR OG1 : rot -56:sc= -1.41! USER MOD Single : A 52 LYS NZ :NH3+ 180:sc=-0.00249 (180deg=-0.00249) USER MOD Single : A 60 CYS SG : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 THR OG1 : rot -79:sc= 0.919 USER MOD Single : A 70 ASN : amide:sc= 0 X(o=0,f=0) 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 USER MOD Single : A 77 TYR OH : rot -106:sc= -1.75! USER MOD Single : A 81 LYS NZ :NH3+ 141:sc= -7.86! (180deg=-13.4!) USER MOD Single : A 82 TYR OH : rot 100:sc=-0.00399! USER MOD Single : A 86 SER OG : rot 99:sc= 0.0761 USER MOD Single : A 92 GLN :FLIP amide:sc= -2.85! C(o=-7.9!,f=-2.8!) USER MOD Single : A 95 GLN :FLIP amide:sc= -18.1! C(o=-22!,f=-18!) USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 ASN : amide:sc= -0.293 X(o=-0.29,f=-0.29) USER MOD Single : A 103 THR OG1 : rot -18:sc= -2.85! USER MOD Single : A 107 TYR OH : rot 180:sc= 0 USER MOD Single : A 110 CYS SG : rot -44:sc= 0.436 USER MOD ----------------------------------------------------------------- HETATM 1 C ACE A 3 -13.549 6.495 4.515 1.00 0.00 C HETATM 2 O ACE A 3 -12.942 5.548 5.013 1.00 0.00 O HETATM 3 CH3 ACE A 3 -14.602 6.269 3.460 1.00 0.00 C HETATM 0 H1 ACE A 3 -15.558 6.656 3.812 1.00 0.00 H new HETATM 0 H2 ACE A 3 -14.316 6.786 2.544 1.00 0.00 H new HETATM 0 H3 ACE A 3 -14.694 5.201 3.261 1.00 0.00 H new ATOM 7 N ASN A 4 -13.328 7.759 4.863 1.00 0.00 N ATOM 8 CA ASN A 4 -12.338 8.111 5.874 1.00 0.00 C ATOM 9 C ASN A 4 -10.956 8.268 5.258 1.00 0.00 C ATOM 10 O ASN A 4 -10.504 7.412 4.498 1.00 0.00 O ATOM 11 CB ASN A 4 -12.289 7.045 6.966 1.00 0.00 C ATOM 12 CG ASN A 4 -12.457 7.629 8.355 1.00 0.00 C ATOM 13 OD1 ASN A 4 -11.933 8.832 8.558 1.00 0.00 O flip ATOM 14 ND2 ASN A 4 -13.049 7.006 9.236 1.00 0.00 N flip ATOM 0 H ASN A 4 -13.821 8.556 4.460 1.00 0.00 H new ATOM 0 HA ASN A 4 -12.636 9.064 6.311 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -13.074 6.310 6.787 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -11.338 6.516 6.910 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -13.436 6.084 9.036 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -13.152 7.412 10.166 1.00 0.00 H new ATOM 21 N ASN A 5 -10.280 9.357 5.603 1.00 0.00 N ATOM 22 CA ASN A 5 -8.941 9.609 5.093 1.00 0.00 C ATOM 23 C ASN A 5 -7.946 8.653 5.738 1.00 0.00 C ATOM 24 O ASN A 5 -8.330 7.767 6.503 1.00 0.00 O ATOM 25 CB ASN A 5 -8.528 11.057 5.362 1.00 0.00 C ATOM 26 CG ASN A 5 -9.451 12.056 4.691 1.00 0.00 C ATOM 27 OD1 ASN A 5 -10.525 12.369 5.205 1.00 0.00 O ATOM 28 ND2 ASN A 5 -9.037 12.561 3.535 1.00 0.00 N ATOM 0 H ASN A 5 -10.637 10.077 6.232 1.00 0.00 H new ATOM 0 HA ASN A 5 -8.944 9.444 4.016 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -8.523 11.237 6.437 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -7.509 11.213 5.008 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -9.617 13.237 3.037 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -8.139 12.273 3.145 1.00 0.00 H new ATOM 35 N LEU A 6 -6.668 8.833 5.431 1.00 0.00 N ATOM 36 CA LEU A 6 -5.626 7.980 5.989 1.00 0.00 C ATOM 37 C LEU A 6 -4.620 8.803 6.785 1.00 0.00 C ATOM 38 O LEU A 6 -4.696 8.883 8.011 1.00 0.00 O ATOM 39 CB LEU A 6 -4.911 7.219 4.874 1.00 0.00 C ATOM 40 CG LEU A 6 -5.821 6.620 3.799 1.00 0.00 C ATOM 41 CD1 LEU A 6 -5.058 5.587 2.991 1.00 0.00 C ATOM 42 CD2 LEU A 6 -7.062 5.994 4.421 1.00 0.00 C ATOM 0 H LEU A 6 -6.328 9.559 4.801 1.00 0.00 H new ATOM 0 HA LEU A 6 -6.098 7.265 6.663 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -4.204 7.894 4.392 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -4.328 6.414 5.322 1.00 0.00 H new ATOM 0 HG LEU A 6 -6.145 7.423 3.136 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -5.713 5.166 2.228 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -4.201 6.060 2.512 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -4.712 4.792 3.651 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -7.691 5.576 3.635 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -6.765 5.202 5.108 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -7.620 6.756 4.966 1.00 0.00 H new ATOM 54 N GLU A 7 -3.676 9.408 6.077 1.00 0.00 N ATOM 55 CA GLU A 7 -2.649 10.222 6.704 1.00 0.00 C ATOM 56 C GLU A 7 -2.522 9.898 8.184 1.00 0.00 C ATOM 57 O GLU A 7 -3.123 10.555 9.034 1.00 0.00 O ATOM 58 CB GLU A 7 -2.953 11.709 6.515 1.00 0.00 C ATOM 59 CG GLU A 7 -4.436 12.035 6.562 1.00 0.00 C ATOM 60 CD GLU A 7 -4.707 13.527 6.522 1.00 0.00 C ATOM 61 OE1 GLU A 7 -4.472 14.201 7.547 1.00 0.00 O ATOM 62 OE2 GLU A 7 -5.153 14.021 5.466 1.00 0.00 O ATOM 0 H GLU A 7 -3.602 9.348 5.061 1.00 0.00 H new ATOM 0 HA GLU A 7 -1.699 9.992 6.221 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -2.439 12.278 7.290 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -2.547 12.036 5.558 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -4.936 11.556 5.720 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -4.868 11.615 7.471 1.00 0.00 H new ATOM 69 N THR A 8 -1.733 8.875 8.478 1.00 0.00 N ATOM 70 CA THR A 8 -1.510 8.443 9.850 1.00 0.00 C ATOM 71 C THR A 8 -0.952 7.026 9.886 1.00 0.00 C ATOM 72 O THR A 8 -0.363 6.606 10.882 1.00 0.00 O ATOM 73 CB THR A 8 -2.815 8.512 10.641 1.00 0.00 C ATOM 74 OG1 THR A 8 -2.621 8.060 11.970 1.00 0.00 O ATOM 75 CG2 THR A 8 -3.929 7.688 10.033 1.00 0.00 C ATOM 0 H THR A 8 -1.233 8.325 7.779 1.00 0.00 H new ATOM 0 HA THR A 8 -0.781 9.112 10.306 1.00 0.00 H new ATOM 0 HB THR A 8 -3.109 9.561 10.620 1.00 0.00 H new ATOM 0 HG1 THR A 8 -3.468 8.113 12.461 1.00 0.00 H new ATOM 0 HG21 THR A 8 -4.826 7.782 10.645 1.00 0.00 H new ATOM 0 HG22 THR A 8 -4.138 8.046 9.025 1.00 0.00 H new ATOM 0 HG23 THR A 8 -3.626 6.642 9.991 1.00 0.00 H new ATOM 83 N TYR A 9 -1.145 6.292 8.795 1.00 0.00 N ATOM 84 CA TYR A 9 -0.665 4.921 8.703 1.00 0.00 C ATOM 85 C TYR A 9 0.806 4.872 8.341 1.00 0.00 C ATOM 86 O TYR A 9 1.227 5.453 7.339 1.00 0.00 O ATOM 87 CB TYR A 9 -1.463 4.153 7.659 1.00 0.00 C ATOM 88 CG TYR A 9 -2.938 4.158 7.957 1.00 0.00 C ATOM 89 CD1 TYR A 9 -3.468 3.274 8.883 1.00 0.00 C ATOM 90 CD2 TYR A 9 -3.795 5.057 7.333 1.00 0.00 C ATOM 91 CE1 TYR A 9 -4.813 3.278 9.181 1.00 0.00 C ATOM 92 CE2 TYR A 9 -5.145 5.065 7.626 1.00 0.00 C ATOM 93 CZ TYR A 9 -5.649 4.174 8.551 1.00 0.00 C ATOM 94 OH TYR A 9 -6.992 4.182 8.847 1.00 0.00 O ATOM 0 H TYR A 9 -1.631 6.625 7.963 1.00 0.00 H new ATOM 0 HA TYR A 9 -0.797 4.461 9.682 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -1.291 4.592 6.676 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -1.106 3.124 7.615 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -2.816 2.570 9.379 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -3.401 5.757 6.611 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -5.210 2.582 9.905 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -5.803 5.766 7.133 1.00 0.00 H new ATOM 0 HH TYR A 9 -7.396 5.010 8.512 1.00 0.00 H new ATOM 104 N GLU A 10 1.584 4.156 9.138 1.00 0.00 N ATOM 105 CA GLU A 10 3.001 4.021 8.858 1.00 0.00 C ATOM 106 C GLU A 10 3.188 3.808 7.371 1.00 0.00 C ATOM 107 O GLU A 10 4.259 4.043 6.821 1.00 0.00 O ATOM 108 CB GLU A 10 3.594 2.835 9.611 1.00 0.00 C ATOM 109 CG GLU A 10 2.543 1.880 10.117 1.00 0.00 C ATOM 110 CD GLU A 10 3.111 0.805 11.022 1.00 0.00 C ATOM 111 OE1 GLU A 10 4.281 0.415 10.822 1.00 0.00 O ATOM 112 OE2 GLU A 10 2.385 0.351 11.933 1.00 0.00 O ATOM 0 H GLU A 10 1.262 3.666 9.973 1.00 0.00 H new ATOM 0 HA GLU A 10 3.511 4.928 9.183 1.00 0.00 H new ATOM 0 HB2 GLU A 10 4.279 2.299 8.954 1.00 0.00 H new ATOM 0 HB3 GLU A 10 4.181 3.202 10.453 1.00 0.00 H new ATOM 0 HG2 GLU A 10 1.781 2.440 10.660 1.00 0.00 H new ATOM 0 HG3 GLU A 10 2.048 1.409 9.268 1.00 0.00 H new ATOM 119 N TRP A 11 2.130 3.332 6.728 1.00 0.00 N ATOM 120 CA TRP A 11 2.169 3.057 5.310 1.00 0.00 C ATOM 121 C TRP A 11 1.652 4.225 4.476 1.00 0.00 C ATOM 122 O TRP A 11 2.195 4.520 3.417 1.00 0.00 O ATOM 123 CB TRP A 11 1.348 1.812 5.019 1.00 0.00 C ATOM 124 CG TRP A 11 0.035 1.761 5.754 1.00 0.00 C ATOM 125 CD1 TRP A 11 -0.248 1.102 6.921 1.00 0.00 C ATOM 126 CD2 TRP A 11 -1.189 2.370 5.339 1.00 0.00 C ATOM 127 NE1 TRP A 11 -1.576 1.261 7.243 1.00 0.00 N ATOM 128 CE2 TRP A 11 -2.172 2.039 6.287 1.00 0.00 C ATOM 129 CE3 TRP A 11 -1.544 3.164 4.255 1.00 0.00 C ATOM 130 CZ2 TRP A 11 -3.490 2.475 6.176 1.00 0.00 C ATOM 131 CZ3 TRP A 11 -2.846 3.598 4.143 1.00 0.00 C ATOM 132 CH2 TRP A 11 -3.808 3.252 5.098 1.00 0.00 C ATOM 0 H TRP A 11 1.235 3.130 7.173 1.00 0.00 H new ATOM 0 HA TRP A 11 3.211 2.900 5.031 1.00 0.00 H new ATOM 0 HB2 TRP A 11 1.156 1.758 3.947 1.00 0.00 H new ATOM 0 HB3 TRP A 11 1.935 0.932 5.282 1.00 0.00 H new ATOM 0 HD1 TRP A 11 0.467 0.540 7.503 1.00 0.00 H new ATOM 0 HE1 TRP A 11 -2.040 0.864 8.060 1.00 0.00 H new ATOM 0 HE3 TRP A 11 -0.810 3.437 3.512 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 -4.232 2.209 6.914 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 -3.129 4.216 3.304 1.00 0.00 H new ATOM 0 HH2 TRP A 11 -4.822 3.606 4.981 1.00 0.00 H new ATOM 143 N TYR A 12 0.590 4.876 4.936 1.00 0.00 N ATOM 144 CA TYR A 12 0.015 5.987 4.183 1.00 0.00 C ATOM 145 C TYR A 12 0.960 7.173 4.075 1.00 0.00 C ATOM 146 O TYR A 12 1.662 7.525 5.022 1.00 0.00 O ATOM 147 CB TYR A 12 -1.304 6.451 4.787 1.00 0.00 C ATOM 148 CG TYR A 12 -2.021 7.422 3.883 1.00 0.00 C ATOM 149 CD1 TYR A 12 -2.811 6.967 2.838 1.00 0.00 C ATOM 150 CD2 TYR A 12 -1.890 8.793 4.059 1.00 0.00 C ATOM 151 CE1 TYR A 12 -3.455 7.847 1.996 1.00 0.00 C ATOM 152 CE2 TYR A 12 -2.530 9.685 3.218 1.00 0.00 C ATOM 153 CZ TYR A 12 -3.313 9.205 2.188 1.00 0.00 C ATOM 154 OH TYR A 12 -3.954 10.088 1.348 1.00 0.00 O ATOM 0 H TYR A 12 0.115 4.660 5.812 1.00 0.00 H new ATOM 0 HA TYR A 12 -0.163 5.601 3.179 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -1.943 5.588 4.973 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -1.117 6.923 5.752 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -2.923 5.904 2.681 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -1.278 9.169 4.866 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -4.069 7.475 1.189 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -2.418 10.749 3.366 1.00 0.00 H new ATOM 0 HH TYR A 12 -3.429 10.913 1.278 1.00 0.00 H new ATOM 164 N ASN A 13 0.951 7.787 2.897 1.00 0.00 N ATOM 165 CA ASN A 13 1.779 8.943 2.612 1.00 0.00 C ATOM 166 C ASN A 13 1.026 9.912 1.700 1.00 0.00 C ATOM 167 O ASN A 13 0.982 9.736 0.483 1.00 0.00 O ATOM 168 CB ASN A 13 3.081 8.482 1.972 1.00 0.00 C ATOM 169 CG ASN A 13 3.912 7.666 2.941 1.00 0.00 C ATOM 170 OD1 ASN A 13 3.378 6.869 3.711 1.00 0.00 O ATOM 171 ND2 ASN A 13 5.220 7.866 2.919 1.00 0.00 N ATOM 0 H ASN A 13 0.367 7.493 2.114 1.00 0.00 H new ATOM 0 HA ASN A 13 2.014 9.469 3.537 1.00 0.00 H new ATOM 0 HB2 ASN A 13 2.862 7.886 1.086 1.00 0.00 H new ATOM 0 HB3 ASN A 13 3.652 9.349 1.640 1.00 0.00 H new ATOM 0 HD21 ASN A 13 5.826 7.349 3.557 1.00 0.00 H new ATOM 0 HD22 ASN A 13 5.622 8.537 2.264 1.00 0.00 H new ATOM 178 N LYS A 14 0.412 10.915 2.320 1.00 0.00 N ATOM 179 CA LYS A 14 -0.385 11.923 1.618 1.00 0.00 C ATOM 180 C LYS A 14 0.063 12.160 0.171 1.00 0.00 C ATOM 181 O LYS A 14 0.115 11.234 -0.638 1.00 0.00 O ATOM 182 CB LYS A 14 -0.361 13.237 2.399 1.00 0.00 C ATOM 183 CG LYS A 14 1.035 13.684 2.797 1.00 0.00 C ATOM 184 CD LYS A 14 0.992 14.750 3.881 1.00 0.00 C ATOM 185 CE LYS A 14 0.173 14.295 5.078 1.00 0.00 C ATOM 186 NZ LYS A 14 -0.936 15.241 5.385 1.00 0.00 N ATOM 0 H LYS A 14 0.452 11.055 3.330 1.00 0.00 H new ATOM 0 HA LYS A 14 -1.402 11.534 1.563 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -0.825 14.017 1.795 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -0.968 13.127 3.298 1.00 0.00 H new ATOM 0 HG2 LYS A 14 1.605 12.826 3.152 1.00 0.00 H new ATOM 0 HG3 LYS A 14 1.556 14.074 1.923 1.00 0.00 H new ATOM 0 HD2 LYS A 14 2.007 14.985 4.202 1.00 0.00 H new ATOM 0 HD3 LYS A 14 0.565 15.667 3.474 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -0.239 13.305 4.881 1.00 0.00 H new ATOM 0 HE3 LYS A 14 0.823 14.203 5.948 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -1.470 14.895 6.207 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -0.542 16.180 5.598 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -1.571 15.310 4.564 1.00 0.00 H new ATOM 200 N SER A 15 0.340 13.424 -0.152 1.00 0.00 N ATOM 201 CA SER A 15 0.736 13.822 -1.505 1.00 0.00 C ATOM 202 C SER A 15 2.007 13.126 -1.988 1.00 0.00 C ATOM 203 O SER A 15 2.844 13.745 -2.642 1.00 0.00 O ATOM 204 CB SER A 15 0.931 15.338 -1.562 1.00 0.00 C ATOM 205 OG SER A 15 1.289 15.854 -0.292 1.00 0.00 O ATOM 0 H SER A 15 0.297 14.197 0.512 1.00 0.00 H new ATOM 0 HA SER A 15 -0.070 13.514 -2.171 1.00 0.00 H new ATOM 0 HB2 SER A 15 1.706 15.581 -2.289 1.00 0.00 H new ATOM 0 HB3 SER A 15 0.012 15.813 -1.905 1.00 0.00 H new ATOM 0 HG SER A 15 1.410 16.824 -0.355 1.00 0.00 H new ATOM 211 N ILE A 16 2.152 11.845 -1.674 1.00 0.00 N ATOM 212 CA ILE A 16 3.319 11.093 -2.087 1.00 0.00 C ATOM 213 C ILE A 16 3.316 10.773 -3.573 1.00 0.00 C ATOM 214 O ILE A 16 2.275 10.772 -4.230 1.00 0.00 O ATOM 215 CB ILE A 16 3.414 9.769 -1.330 1.00 0.00 C ATOM 216 CG1 ILE A 16 4.616 9.796 -0.413 1.00 0.00 C ATOM 217 CG2 ILE A 16 3.510 8.605 -2.306 1.00 0.00 C ATOM 218 CD1 ILE A 16 5.259 8.440 -0.237 1.00 0.00 C ATOM 0 H ILE A 16 1.473 11.309 -1.134 1.00 0.00 H new ATOM 0 HA ILE A 16 4.173 11.732 -1.861 1.00 0.00 H new ATOM 0 HB ILE A 16 2.514 9.634 -0.730 1.00 0.00 H new ATOM 0 HG12 ILE A 16 5.354 10.492 -0.812 1.00 0.00 H new ATOM 0 HG13 ILE A 16 4.313 10.177 0.562 1.00 0.00 H new ATOM 0 HG21 ILE A 16 3.577 7.669 -1.751 1.00 0.00 H new ATOM 0 HG22 ILE A 16 2.624 8.588 -2.940 1.00 0.00 H new ATOM 0 HG23 ILE A 16 4.398 8.723 -2.927 1.00 0.00 H new ATOM 0 HD11 ILE A 16 6.115 8.527 0.432 1.00 0.00 H new ATOM 0 HD12 ILE A 16 4.534 7.746 0.190 1.00 0.00 H new ATOM 0 HD13 ILE A 16 5.592 8.067 -1.205 1.00 0.00 H new ATOM 230 N SER A 17 4.503 10.460 -4.076 1.00 0.00 N ATOM 231 CA SER A 17 4.688 10.083 -5.465 1.00 0.00 C ATOM 232 C SER A 17 5.399 8.736 -5.529 1.00 0.00 C ATOM 233 O SER A 17 5.874 8.234 -4.509 1.00 0.00 O ATOM 234 CB SER A 17 5.499 11.146 -6.206 1.00 0.00 C ATOM 235 OG SER A 17 5.063 11.277 -7.548 1.00 0.00 O ATOM 0 H SER A 17 5.364 10.461 -3.529 1.00 0.00 H new ATOM 0 HA SER A 17 3.714 10.003 -5.947 1.00 0.00 H new ATOM 0 HB2 SER A 17 5.403 12.104 -5.694 1.00 0.00 H new ATOM 0 HB3 SER A 17 6.556 10.880 -6.188 1.00 0.00 H new ATOM 0 HG SER A 17 5.596 11.964 -8.000 1.00 0.00 H new ATOM 241 N ARG A 18 5.479 8.154 -6.713 1.00 0.00 N ATOM 242 CA ARG A 18 6.144 6.867 -6.872 1.00 0.00 C ATOM 243 C ARG A 18 7.639 6.996 -6.585 1.00 0.00 C ATOM 244 O ARG A 18 8.281 6.046 -6.138 1.00 0.00 O ATOM 245 CB ARG A 18 5.927 6.325 -8.285 1.00 0.00 C ATOM 246 CG ARG A 18 6.305 7.310 -9.379 1.00 0.00 C ATOM 247 CD ARG A 18 6.176 6.685 -10.758 1.00 0.00 C ATOM 248 NE ARG A 18 7.195 5.667 -10.995 1.00 0.00 N ATOM 249 CZ ARG A 18 6.935 4.365 -11.065 1.00 0.00 C ATOM 250 NH1 ARG A 18 5.693 3.922 -10.917 1.00 0.00 N ATOM 251 NH2 ARG A 18 7.920 3.502 -11.283 1.00 0.00 N ATOM 0 H ARG A 18 5.096 8.546 -7.573 1.00 0.00 H new ATOM 0 HA ARG A 18 5.710 6.168 -6.157 1.00 0.00 H new ATOM 0 HB2 ARG A 18 6.512 5.414 -8.410 1.00 0.00 H new ATOM 0 HB3 ARG A 18 4.879 6.049 -8.402 1.00 0.00 H new ATOM 0 HG2 ARG A 18 5.665 8.190 -9.315 1.00 0.00 H new ATOM 0 HG3 ARG A 18 7.329 7.650 -9.226 1.00 0.00 H new ATOM 0 HD2 ARG A 18 5.187 6.239 -10.863 1.00 0.00 H new ATOM 0 HD3 ARG A 18 6.257 7.463 -11.517 1.00 0.00 H new ATOM 0 HE ARG A 18 8.161 5.972 -11.114 1.00 0.00 H new ATOM 0 HH11 ARG A 18 4.933 4.581 -10.749 1.00 0.00 H new ATOM 0 HH12 ARG A 18 5.498 2.922 -10.972 1.00 0.00 H new ATOM 0 HH21 ARG A 18 8.876 3.838 -11.397 1.00 0.00 H new ATOM 0 HH22 ARG A 18 7.720 2.503 -11.337 1.00 0.00 H new ATOM 265 N ASP A 19 8.183 8.176 -6.861 1.00 0.00 N ATOM 266 CA ASP A 19 9.604 8.442 -6.652 1.00 0.00 C ATOM 267 C ASP A 19 9.964 8.598 -5.173 1.00 0.00 C ATOM 268 O ASP A 19 10.971 8.057 -4.716 1.00 0.00 O ATOM 269 CB ASP A 19 10.015 9.703 -7.414 1.00 0.00 C ATOM 270 CG ASP A 19 9.917 9.527 -8.917 1.00 0.00 C ATOM 271 OD1 ASP A 19 10.803 8.867 -9.497 1.00 0.00 O ATOM 272 OD2 ASP A 19 8.953 10.052 -9.513 1.00 0.00 O ATOM 0 H ASP A 19 7.659 8.969 -7.232 1.00 0.00 H new ATOM 0 HA ASP A 19 10.149 7.577 -7.030 1.00 0.00 H new ATOM 0 HB2 ASP A 19 9.380 10.534 -7.106 1.00 0.00 H new ATOM 0 HB3 ASP A 19 11.038 9.968 -7.148 1.00 0.00 H new ATOM 277 N LYS A 20 9.165 9.364 -4.432 1.00 0.00 N ATOM 278 CA LYS A 20 9.442 9.609 -3.018 1.00 0.00 C ATOM 279 C LYS A 20 9.275 8.353 -2.170 1.00 0.00 C ATOM 280 O LYS A 20 10.169 7.996 -1.400 1.00 0.00 O ATOM 281 CB LYS A 20 8.536 10.716 -2.483 1.00 0.00 C ATOM 282 CG LYS A 20 8.511 11.956 -3.360 1.00 0.00 C ATOM 283 CD LYS A 20 7.337 11.927 -4.322 1.00 0.00 C ATOM 284 CE LYS A 20 6.434 13.135 -4.135 1.00 0.00 C ATOM 285 NZ LYS A 20 7.113 14.228 -3.388 1.00 0.00 N ATOM 0 H LYS A 20 8.325 9.823 -4.785 1.00 0.00 H new ATOM 0 HA LYS A 20 10.484 9.920 -2.947 1.00 0.00 H new ATOM 0 HB2 LYS A 20 7.522 10.329 -2.386 1.00 0.00 H new ATOM 0 HB3 LYS A 20 8.868 10.995 -1.483 1.00 0.00 H new ATOM 0 HG2 LYS A 20 8.449 12.846 -2.734 1.00 0.00 H new ATOM 0 HG3 LYS A 20 9.443 12.026 -3.922 1.00 0.00 H new ATOM 0 HD2 LYS A 20 7.706 11.902 -5.347 1.00 0.00 H new ATOM 0 HD3 LYS A 20 6.762 11.014 -4.168 1.00 0.00 H new ATOM 0 HE2 LYS A 20 6.117 13.505 -5.110 1.00 0.00 H new ATOM 0 HE3 LYS A 20 5.533 12.835 -3.599 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 6.603 15.121 -3.540 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 7.120 14.002 -2.373 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 8.091 14.325 -3.728 1.00 0.00 H new ATOM 299 N ALA A 21 8.131 7.689 -2.299 1.00 0.00 N ATOM 300 CA ALA A 21 7.877 6.487 -1.518 1.00 0.00 C ATOM 301 C ALA A 21 9.043 5.512 -1.640 1.00 0.00 C ATOM 302 O ALA A 21 9.590 5.055 -0.639 1.00 0.00 O ATOM 303 CB ALA A 21 6.561 5.836 -1.918 1.00 0.00 C ATOM 0 H ALA A 21 7.375 7.959 -2.928 1.00 0.00 H new ATOM 0 HA ALA A 21 7.788 6.775 -0.470 1.00 0.00 H new ATOM 0 HB1 ALA A 21 6.400 4.941 -1.317 1.00 0.00 H new ATOM 0 HB2 ALA A 21 5.743 6.537 -1.751 1.00 0.00 H new ATOM 0 HB3 ALA A 21 6.596 5.563 -2.973 1.00 0.00 H new ATOM 309 N GLU A 22 9.447 5.212 -2.864 1.00 0.00 N ATOM 310 CA GLU A 22 10.572 4.313 -3.068 1.00 0.00 C ATOM 311 C GLU A 22 11.784 4.847 -2.315 1.00 0.00 C ATOM 312 O GLU A 22 12.464 4.110 -1.591 1.00 0.00 O ATOM 313 CB GLU A 22 10.894 4.179 -4.558 1.00 0.00 C ATOM 314 CG GLU A 22 10.076 3.113 -5.268 1.00 0.00 C ATOM 315 CD GLU A 22 10.642 2.755 -6.628 1.00 0.00 C ATOM 316 OE1 GLU A 22 11.641 3.381 -7.039 1.00 0.00 O ATOM 317 OE2 GLU A 22 10.086 1.848 -7.283 1.00 0.00 O ATOM 0 H GLU A 22 9.021 5.571 -3.719 1.00 0.00 H new ATOM 0 HA GLU A 22 10.311 3.325 -2.688 1.00 0.00 H new ATOM 0 HB2 GLU A 22 10.723 5.139 -5.045 1.00 0.00 H new ATOM 0 HB3 GLU A 22 11.953 3.947 -4.672 1.00 0.00 H new ATOM 0 HG2 GLU A 22 10.036 2.218 -4.648 1.00 0.00 H new ATOM 0 HG3 GLU A 22 9.051 3.465 -5.386 1.00 0.00 H new ATOM 324 N LYS A 23 12.031 6.146 -2.470 1.00 0.00 N ATOM 325 CA LYS A 23 13.140 6.799 -1.791 1.00 0.00 C ATOM 326 C LYS A 23 12.995 6.632 -0.288 1.00 0.00 C ATOM 327 O LYS A 23 13.916 6.178 0.391 1.00 0.00 O ATOM 328 CB LYS A 23 13.183 8.286 -2.148 1.00 0.00 C ATOM 329 CG LYS A 23 12.734 9.195 -1.014 1.00 0.00 C ATOM 330 CD LYS A 23 12.801 10.660 -1.415 1.00 0.00 C ATOM 331 CE LYS A 23 11.579 11.425 -0.933 1.00 0.00 C ATOM 332 NZ LYS A 23 11.941 12.765 -0.394 1.00 0.00 N ATOM 0 H LYS A 23 11.476 6.765 -3.061 1.00 0.00 H new ATOM 0 HA LYS A 23 14.071 6.335 -2.116 1.00 0.00 H new ATOM 0 HB2 LYS A 23 14.200 8.553 -2.436 1.00 0.00 H new ATOM 0 HB3 LYS A 23 12.549 8.462 -3.017 1.00 0.00 H new ATOM 0 HG2 LYS A 23 11.714 8.942 -0.725 1.00 0.00 H new ATOM 0 HG3 LYS A 23 13.363 9.027 -0.140 1.00 0.00 H new ATOM 0 HD2 LYS A 23 13.702 11.111 -0.999 1.00 0.00 H new ATOM 0 HD3 LYS A 23 12.877 10.739 -2.500 1.00 0.00 H new ATOM 0 HE2 LYS A 23 10.876 11.543 -1.757 1.00 0.00 H new ATOM 0 HE3 LYS A 23 11.071 10.848 -0.161 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 11.081 13.255 -0.076 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 12.592 12.652 0.409 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 12.403 13.325 -1.138 1.00 0.00 H new ATOM 346 N LEU A 24 11.821 6.989 0.227 1.00 0.00 N ATOM 347 CA LEU A 24 11.550 6.860 1.651 1.00 0.00 C ATOM 348 C LEU A 24 11.607 5.397 2.061 1.00 0.00 C ATOM 349 O LEU A 24 12.065 5.063 3.153 1.00 0.00 O ATOM 350 CB LEU A 24 10.178 7.442 1.994 1.00 0.00 C ATOM 351 CG LEU A 24 9.067 7.094 1.005 1.00 0.00 C ATOM 352 CD1 LEU A 24 8.554 5.680 1.242 1.00 0.00 C ATOM 353 CD2 LEU A 24 7.933 8.102 1.109 1.00 0.00 C ATOM 0 H LEU A 24 11.048 7.368 -0.320 1.00 0.00 H new ATOM 0 HA LEU A 24 12.311 7.417 2.198 1.00 0.00 H new ATOM 0 HB2 LEU A 24 9.887 7.090 2.984 1.00 0.00 H new ATOM 0 HB3 LEU A 24 10.264 8.527 2.054 1.00 0.00 H new ATOM 0 HG LEU A 24 9.478 7.138 -0.004 1.00 0.00 H new ATOM 0 HD11 LEU A 24 7.764 5.455 0.526 1.00 0.00 H new ATOM 0 HD12 LEU A 24 9.372 4.970 1.115 1.00 0.00 H new ATOM 0 HD13 LEU A 24 8.159 5.601 2.255 1.00 0.00 H new ATOM 0 HD21 LEU A 24 7.148 7.842 0.399 1.00 0.00 H new ATOM 0 HD22 LEU A 24 7.526 8.089 2.120 1.00 0.00 H new ATOM 0 HD23 LEU A 24 8.311 9.099 0.883 1.00 0.00 H new ATOM 365 N LEU A 25 11.148 4.522 1.170 1.00 0.00 N ATOM 366 CA LEU A 25 11.160 3.093 1.439 1.00 0.00 C ATOM 367 C LEU A 25 12.591 2.590 1.482 1.00 0.00 C ATOM 368 O LEU A 25 12.991 1.896 2.418 1.00 0.00 O ATOM 369 CB LEU A 25 10.367 2.332 0.378 1.00 0.00 C ATOM 370 CG LEU A 25 8.924 2.015 0.772 1.00 0.00 C ATOM 371 CD1 LEU A 25 8.188 1.326 -0.366 1.00 0.00 C ATOM 372 CD2 LEU A 25 8.911 1.160 2.027 1.00 0.00 C ATOM 0 H LEU A 25 10.765 4.779 0.260 1.00 0.00 H new ATOM 0 HA LEU A 25 10.688 2.919 2.406 1.00 0.00 H new ATOM 0 HB2 LEU A 25 10.359 2.918 -0.541 1.00 0.00 H new ATOM 0 HB3 LEU A 25 10.884 1.398 0.157 1.00 0.00 H new ATOM 0 HG LEU A 25 8.403 2.950 0.980 1.00 0.00 H new ATOM 0 HD11 LEU A 25 7.164 1.111 -0.060 1.00 0.00 H new ATOM 0 HD12 LEU A 25 8.177 1.978 -1.239 1.00 0.00 H new ATOM 0 HD13 LEU A 25 8.695 0.394 -0.616 1.00 0.00 H new ATOM 0 HD21 LEU A 25 7.881 0.936 2.304 1.00 0.00 H new ATOM 0 HD22 LEU A 25 9.446 0.229 1.839 1.00 0.00 H new ATOM 0 HD23 LEU A 25 9.397 1.700 2.840 1.00 0.00 H new ATOM 384 N LEU A 26 13.366 2.960 0.471 1.00 0.00 N ATOM 385 CA LEU A 26 14.761 2.559 0.406 1.00 0.00 C ATOM 386 C LEU A 26 15.503 3.045 1.647 1.00 0.00 C ATOM 387 O LEU A 26 16.472 2.428 2.090 1.00 0.00 O ATOM 388 CB LEU A 26 15.422 3.137 -0.843 1.00 0.00 C ATOM 389 CG LEU A 26 15.075 2.430 -2.154 1.00 0.00 C ATOM 390 CD1 LEU A 26 13.706 1.774 -2.063 1.00 0.00 C ATOM 391 CD2 LEU A 26 15.120 3.411 -3.316 1.00 0.00 C ATOM 0 H LEU A 26 13.052 3.535 -0.311 1.00 0.00 H new ATOM 0 HA LEU A 26 14.807 1.471 0.361 1.00 0.00 H new ATOM 0 HB2 LEU A 26 15.141 4.186 -0.930 1.00 0.00 H new ATOM 0 HB3 LEU A 26 16.503 3.107 -0.709 1.00 0.00 H new ATOM 0 HG LEU A 26 15.817 1.651 -2.331 1.00 0.00 H new ATOM 0 HD11 LEU A 26 13.478 1.276 -3.006 1.00 0.00 H new ATOM 0 HD12 LEU A 26 13.707 1.041 -1.256 1.00 0.00 H new ATOM 0 HD13 LEU A 26 12.951 2.534 -1.862 1.00 0.00 H new ATOM 0 HD21 LEU A 26 14.871 2.891 -4.241 1.00 0.00 H new ATOM 0 HD22 LEU A 26 14.400 4.212 -3.144 1.00 0.00 H new ATOM 0 HD23 LEU A 26 16.121 3.834 -3.396 1.00 0.00 H new ATOM 403 N ASP A 27 15.037 4.165 2.197 1.00 0.00 N ATOM 404 CA ASP A 27 15.646 4.755 3.384 1.00 0.00 C ATOM 405 C ASP A 27 15.763 3.734 4.509 1.00 0.00 C ATOM 406 O ASP A 27 16.827 3.577 5.106 1.00 0.00 O ATOM 407 CB ASP A 27 14.829 5.960 3.855 1.00 0.00 C ATOM 408 CG ASP A 27 15.106 6.315 5.303 1.00 0.00 C ATOM 409 OD1 ASP A 27 14.427 5.759 6.192 1.00 0.00 O ATOM 410 OD2 ASP A 27 16.002 7.149 5.547 1.00 0.00 O ATOM 0 H ASP A 27 14.236 4.683 1.836 1.00 0.00 H new ATOM 0 HA ASP A 27 16.650 5.085 3.117 1.00 0.00 H new ATOM 0 HB2 ASP A 27 15.056 6.819 3.223 1.00 0.00 H new ATOM 0 HB3 ASP A 27 13.767 5.746 3.733 1.00 0.00 H new ATOM 415 N THR A 28 14.668 3.033 4.789 1.00 0.00 N ATOM 416 CA THR A 28 14.673 2.021 5.842 1.00 0.00 C ATOM 417 C THR A 28 15.207 0.714 5.314 1.00 0.00 C ATOM 418 O THR A 28 16.114 0.109 5.886 1.00 0.00 O ATOM 419 CB THR A 28 13.266 1.760 6.394 1.00 0.00 C ATOM 420 OG1 THR A 28 13.194 0.464 6.956 1.00 0.00 O ATOM 421 CG2 THR A 28 12.160 1.867 5.363 1.00 0.00 C ATOM 0 H THR A 28 13.775 3.144 4.308 1.00 0.00 H new ATOM 0 HA THR A 28 15.308 2.407 6.639 1.00 0.00 H new ATOM 0 HB THR A 28 13.108 2.541 7.137 1.00 0.00 H new ATOM 0 HG1 THR A 28 13.845 0.387 7.685 1.00 0.00 H new ATOM 0 HG21 THR A 28 11.199 1.668 5.838 1.00 0.00 H new ATOM 0 HG22 THR A 28 12.154 2.871 4.939 1.00 0.00 H new ATOM 0 HG23 THR A 28 12.330 1.139 4.570 1.00 0.00 H new ATOM 429 N GLY A 29 14.591 0.264 4.242 1.00 0.00 N ATOM 430 CA GLY A 29 14.957 -1.001 3.659 1.00 0.00 C ATOM 431 C GLY A 29 14.142 -2.091 4.301 1.00 0.00 C ATOM 432 O GLY A 29 14.638 -3.178 4.587 1.00 0.00 O ATOM 0 H GLY A 29 13.838 0.756 3.761 1.00 0.00 H new ATOM 0 HA2 GLY A 29 14.782 -0.984 2.583 1.00 0.00 H new ATOM 0 HA3 GLY A 29 16.020 -1.190 3.806 1.00 0.00 H new ATOM 436 N LYS A 30 12.882 -1.763 4.560 1.00 0.00 N ATOM 437 CA LYS A 30 11.962 -2.678 5.208 1.00 0.00 C ATOM 438 C LYS A 30 11.613 -3.843 4.313 1.00 0.00 C ATOM 439 O LYS A 30 11.074 -3.657 3.224 1.00 0.00 O ATOM 440 CB LYS A 30 10.672 -1.948 5.602 1.00 0.00 C ATOM 441 CG LYS A 30 10.900 -0.693 6.423 1.00 0.00 C ATOM 442 CD LYS A 30 11.251 -1.044 7.852 1.00 0.00 C ATOM 443 CE LYS A 30 11.862 -2.426 7.921 1.00 0.00 C ATOM 444 NZ LYS A 30 11.815 -2.992 9.297 1.00 0.00 N ATOM 0 H LYS A 30 12.474 -0.858 4.326 1.00 0.00 H new ATOM 0 HA LYS A 30 12.461 -3.060 6.099 1.00 0.00 H new ATOM 0 HB2 LYS A 30 10.125 -1.683 4.697 1.00 0.00 H new ATOM 0 HB3 LYS A 30 10.039 -2.631 6.169 1.00 0.00 H new ATOM 0 HG2 LYS A 30 11.703 -0.104 5.980 1.00 0.00 H new ATOM 0 HG3 LYS A 30 10.003 -0.073 6.405 1.00 0.00 H new ATOM 0 HD2 LYS A 30 11.950 -0.310 8.252 1.00 0.00 H new ATOM 0 HD3 LYS A 30 10.356 -1.004 8.473 1.00 0.00 H new ATOM 0 HE2 LYS A 30 11.332 -3.090 7.238 1.00 0.00 H new ATOM 0 HE3 LYS A 30 12.897 -2.381 7.583 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 12.244 -3.939 9.298 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 12.342 -2.373 9.945 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 10.826 -3.060 9.611 1.00 0.00 H new ATOM 458 N GLU A 31 11.886 -5.052 4.780 1.00 0.00 N ATOM 459 CA GLU A 31 11.547 -6.212 3.994 1.00 0.00 C ATOM 460 C GLU A 31 10.036 -6.322 3.940 1.00 0.00 C ATOM 461 O GLU A 31 9.387 -6.675 4.923 1.00 0.00 O ATOM 462 CB GLU A 31 12.153 -7.477 4.606 1.00 0.00 C ATOM 463 CG GLU A 31 11.409 -8.749 4.239 1.00 0.00 C ATOM 464 CD GLU A 31 11.414 -9.772 5.358 1.00 0.00 C ATOM 465 OE1 GLU A 31 10.626 -9.610 6.314 1.00 0.00 O ATOM 466 OE2 GLU A 31 12.206 -10.734 5.280 1.00 0.00 O ATOM 0 H GLU A 31 12.330 -5.246 5.677 1.00 0.00 H new ATOM 0 HA GLU A 31 11.952 -6.107 2.987 1.00 0.00 H new ATOM 0 HB2 GLU A 31 13.190 -7.566 4.281 1.00 0.00 H new ATOM 0 HB3 GLU A 31 12.166 -7.375 5.691 1.00 0.00 H new ATOM 0 HG2 GLU A 31 10.379 -8.502 3.983 1.00 0.00 H new ATOM 0 HG3 GLU A 31 11.862 -9.187 3.350 1.00 0.00 H new ATOM 473 N GLY A 32 9.491 -5.990 2.787 1.00 0.00 N ATOM 474 CA GLY A 32 8.054 -6.023 2.602 1.00 0.00 C ATOM 475 C GLY A 32 7.409 -4.747 3.097 1.00 0.00 C ATOM 476 O GLY A 32 6.297 -4.761 3.625 1.00 0.00 O ATOM 0 H GLY A 32 10.020 -5.695 1.966 1.00 0.00 H new ATOM 0 HA2 GLY A 32 7.824 -6.164 1.546 1.00 0.00 H new ATOM 0 HA3 GLY A 32 7.635 -6.876 3.136 1.00 0.00 H new ATOM 480 N ALA A 33 8.122 -3.636 2.929 1.00 0.00 N ATOM 481 CA ALA A 33 7.631 -2.336 3.365 1.00 0.00 C ATOM 482 C ALA A 33 6.342 -1.966 2.648 1.00 0.00 C ATOM 483 O ALA A 33 6.184 -2.242 1.459 1.00 0.00 O ATOM 484 CB ALA A 33 8.688 -1.277 3.120 1.00 0.00 C ATOM 0 H ALA A 33 9.044 -3.613 2.493 1.00 0.00 H new ATOM 0 HA ALA A 33 7.417 -2.392 4.432 1.00 0.00 H new ATOM 0 HB1 ALA A 33 8.314 -0.307 3.448 1.00 0.00 H new ATOM 0 HB2 ALA A 33 9.590 -1.527 3.679 1.00 0.00 H new ATOM 0 HB3 ALA A 33 8.921 -1.235 2.056 1.00 0.00 H new ATOM 490 N PHE A 34 5.419 -1.340 3.372 1.00 0.00 N ATOM 491 CA PHE A 34 4.151 -0.939 2.786 1.00 0.00 C ATOM 492 C PHE A 34 3.814 0.514 3.073 1.00 0.00 C ATOM 493 O PHE A 34 3.922 0.982 4.201 1.00 0.00 O ATOM 494 CB PHE A 34 3.012 -1.787 3.317 1.00 0.00 C ATOM 495 CG PHE A 34 1.704 -1.073 3.195 1.00 0.00 C ATOM 496 CD1 PHE A 34 1.177 -0.798 1.949 1.00 0.00 C ATOM 497 CD2 PHE A 34 0.999 -0.671 4.311 1.00 0.00 C ATOM 498 CE1 PHE A 34 -0.026 -0.135 1.819 1.00 0.00 C ATOM 499 CE2 PHE A 34 -0.191 -0.015 4.185 1.00 0.00 C ATOM 500 CZ PHE A 34 -0.710 0.260 2.943 1.00 0.00 C ATOM 0 H PHE A 34 5.527 -1.102 4.358 1.00 0.00 H new ATOM 0 HA PHE A 34 4.266 -1.077 1.711 1.00 0.00 H new ATOM 0 HB2 PHE A 34 2.969 -2.727 2.768 1.00 0.00 H new ATOM 0 HB3 PHE A 34 3.197 -2.036 4.362 1.00 0.00 H new ATOM 0 HD1 PHE A 34 1.714 -1.106 1.064 1.00 0.00 H new ATOM 0 HD2 PHE A 34 1.393 -0.878 5.295 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -0.428 0.072 0.838 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -0.730 0.291 5.070 1.00 0.00 H new ATOM 0 HZ PHE A 34 -1.650 0.784 2.851 1.00 0.00 H new ATOM 510 N MET A 35 3.363 1.213 2.049 1.00 0.00 N ATOM 511 CA MET A 35 2.965 2.599 2.202 1.00 0.00 C ATOM 512 C MET A 35 1.779 2.900 1.299 1.00 0.00 C ATOM 513 O MET A 35 1.478 2.136 0.385 1.00 0.00 O ATOM 514 CB MET A 35 4.132 3.528 1.883 1.00 0.00 C ATOM 515 CG MET A 35 3.729 4.978 1.687 1.00 0.00 C ATOM 516 SD MET A 35 5.062 5.964 1.007 1.00 0.00 S ATOM 517 CE MET A 35 6.267 5.736 2.303 1.00 0.00 C ATOM 0 H MET A 35 3.263 0.844 1.103 1.00 0.00 H new ATOM 0 HA MET A 35 2.669 2.769 3.237 1.00 0.00 H new ATOM 0 HB2 MET A 35 4.861 3.470 2.691 1.00 0.00 H new ATOM 0 HB3 MET A 35 4.629 3.174 0.980 1.00 0.00 H new ATOM 0 HG2 MET A 35 2.867 5.027 1.022 1.00 0.00 H new ATOM 0 HG3 MET A 35 3.418 5.400 2.643 1.00 0.00 H new ATOM 0 HE1 MET A 35 6.949 6.586 2.319 1.00 0.00 H new ATOM 0 HE2 MET A 35 5.758 5.661 3.264 1.00 0.00 H new ATOM 0 HE3 MET A 35 6.831 4.822 2.119 1.00 0.00 H new ATOM 527 N VAL A 36 1.109 4.013 1.552 1.00 0.00 N ATOM 528 CA VAL A 36 -0.034 4.401 0.740 1.00 0.00 C ATOM 529 C VAL A 36 0.078 5.858 0.336 1.00 0.00 C ATOM 530 O VAL A 36 0.671 6.665 1.049 1.00 0.00 O ATOM 531 CB VAL A 36 -1.377 4.161 1.455 1.00 0.00 C ATOM 532 CG1 VAL A 36 -2.527 4.710 0.624 1.00 0.00 C ATOM 533 CG2 VAL A 36 -1.569 2.678 1.726 1.00 0.00 C ATOM 0 H VAL A 36 1.334 4.660 2.308 1.00 0.00 H new ATOM 0 HA VAL A 36 -0.019 3.769 -0.148 1.00 0.00 H new ATOM 0 HB VAL A 36 -1.365 4.688 2.409 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -3.469 4.532 1.143 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -2.390 5.781 0.477 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -2.547 4.210 -0.345 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -2.522 2.521 2.232 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -1.565 2.132 0.783 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -0.758 2.316 2.358 1.00 0.00 H new ATOM 543 N ARG A 37 -0.474 6.189 -0.818 1.00 0.00 N ATOM 544 CA ARG A 37 -0.414 7.551 -1.317 1.00 0.00 C ATOM 545 C ARG A 37 -1.680 7.898 -2.089 1.00 0.00 C ATOM 546 O ARG A 37 -2.068 7.193 -3.020 1.00 0.00 O ATOM 547 CB ARG A 37 0.832 7.726 -2.190 1.00 0.00 C ATOM 548 CG ARG A 37 0.550 7.775 -3.681 1.00 0.00 C ATOM 549 CD ARG A 37 1.445 6.801 -4.427 1.00 0.00 C ATOM 550 NE ARG A 37 1.740 7.245 -5.788 1.00 0.00 N ATOM 551 CZ ARG A 37 0.815 7.635 -6.661 1.00 0.00 C ATOM 552 NH1 ARG A 37 -0.468 7.627 -6.325 1.00 0.00 N ATOM 553 NH2 ARG A 37 1.173 8.028 -7.875 1.00 0.00 N ATOM 0 H ARG A 37 -0.968 5.535 -1.426 1.00 0.00 H new ATOM 0 HA ARG A 37 -0.346 8.237 -0.473 1.00 0.00 H new ATOM 0 HB2 ARG A 37 1.339 8.645 -1.898 1.00 0.00 H new ATOM 0 HB3 ARG A 37 1.520 6.905 -1.989 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -0.496 7.531 -3.867 1.00 0.00 H new ATOM 0 HG3 ARG A 37 0.713 8.786 -4.054 1.00 0.00 H new ATOM 0 HD2 ARG A 37 2.378 6.676 -3.878 1.00 0.00 H new ATOM 0 HD3 ARG A 37 0.963 5.824 -4.463 1.00 0.00 H new ATOM 0 HE ARG A 37 2.715 7.257 -6.087 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -0.749 7.321 -5.394 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -1.173 7.927 -6.998 1.00 0.00 H new ATOM 0 HH21 ARG A 37 2.158 8.031 -8.140 1.00 0.00 H new ATOM 0 HH22 ARG A 37 0.464 8.327 -8.544 1.00 0.00 H new ATOM 567 N ASP A 38 -2.332 8.980 -1.681 1.00 0.00 N ATOM 568 CA ASP A 38 -3.564 9.411 -2.323 1.00 0.00 C ATOM 569 C ASP A 38 -3.368 9.581 -3.822 1.00 0.00 C ATOM 570 O ASP A 38 -2.306 10.004 -4.279 1.00 0.00 O ATOM 571 CB ASP A 38 -4.060 10.721 -1.706 1.00 0.00 C ATOM 572 CG ASP A 38 -5.487 11.043 -2.103 1.00 0.00 C ATOM 573 OD1 ASP A 38 -5.706 11.429 -3.270 1.00 0.00 O ATOM 574 OD2 ASP A 38 -6.387 10.908 -1.247 1.00 0.00 O ATOM 0 H ASP A 38 -2.027 9.573 -0.909 1.00 0.00 H new ATOM 0 HA ASP A 38 -4.315 8.638 -2.161 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -3.994 10.656 -0.620 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -3.407 11.536 -2.017 1.00 0.00 H new ATOM 579 N SER A 39 -4.401 9.239 -4.584 1.00 0.00 N ATOM 580 CA SER A 39 -4.348 9.341 -6.033 1.00 0.00 C ATOM 581 C SER A 39 -5.534 10.136 -6.569 1.00 0.00 C ATOM 582 O SER A 39 -5.549 10.535 -7.733 1.00 0.00 O ATOM 583 CB SER A 39 -4.336 7.944 -6.652 1.00 0.00 C ATOM 584 OG SER A 39 -4.066 8.002 -8.043 1.00 0.00 O ATOM 0 H SER A 39 -5.286 8.888 -4.219 1.00 0.00 H new ATOM 0 HA SER A 39 -3.433 9.867 -6.306 1.00 0.00 H new ATOM 0 HB2 SER A 39 -3.582 7.331 -6.158 1.00 0.00 H new ATOM 0 HB3 SER A 39 -5.299 7.461 -6.486 1.00 0.00 H new ATOM 0 HG SER A 39 -4.143 7.104 -8.429 1.00 0.00 H new ATOM 590 N ARG A 40 -6.529 10.354 -5.716 1.00 0.00 N ATOM 591 CA ARG A 40 -7.722 11.093 -6.113 1.00 0.00 C ATOM 592 C ARG A 40 -8.560 10.267 -7.083 1.00 0.00 C ATOM 593 O ARG A 40 -9.655 10.669 -7.478 1.00 0.00 O ATOM 594 CB ARG A 40 -7.332 12.426 -6.753 1.00 0.00 C ATOM 595 CG ARG A 40 -6.395 13.256 -5.892 1.00 0.00 C ATOM 596 CD ARG A 40 -7.013 14.596 -5.528 1.00 0.00 C ATOM 597 NE ARG A 40 -6.339 15.707 -6.194 1.00 0.00 N ATOM 598 CZ ARG A 40 -5.032 15.932 -6.108 1.00 0.00 C ATOM 599 NH1 ARG A 40 -4.264 15.128 -5.383 1.00 0.00 N ATOM 600 NH2 ARG A 40 -4.491 16.960 -6.746 1.00 0.00 N ATOM 0 H ARG A 40 -6.534 10.031 -4.749 1.00 0.00 H new ATOM 0 HA ARG A 40 -8.318 11.294 -5.223 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -6.856 12.234 -7.714 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -8.235 13.002 -6.954 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -6.153 12.707 -4.982 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -5.458 13.419 -6.425 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -8.068 14.595 -5.802 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -6.964 14.737 -4.448 1.00 0.00 H new ATOM 0 HE ARG A 40 -6.902 16.345 -6.756 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -4.677 14.336 -4.891 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -3.261 15.302 -5.318 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -5.078 17.580 -7.304 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -3.488 17.131 -6.679 1.00 0.00 H new ATOM 614 N THR A 41 -8.034 9.105 -7.453 1.00 0.00 N ATOM 615 CA THR A 41 -8.717 8.199 -8.368 1.00 0.00 C ATOM 616 C THR A 41 -10.180 8.023 -7.948 1.00 0.00 C ATOM 617 O THR A 41 -10.685 8.799 -7.138 1.00 0.00 O ATOM 618 CB THR A 41 -7.978 6.859 -8.387 1.00 0.00 C ATOM 619 OG1 THR A 41 -7.895 6.346 -9.705 1.00 0.00 O ATOM 620 CG2 THR A 41 -8.614 5.802 -7.511 1.00 0.00 C ATOM 0 H THR A 41 -7.128 8.766 -7.129 1.00 0.00 H new ATOM 0 HA THR A 41 -8.713 8.617 -9.375 1.00 0.00 H new ATOM 0 HB THR A 41 -6.987 7.076 -7.989 1.00 0.00 H new ATOM 0 HG1 THR A 41 -7.417 5.490 -9.694 1.00 0.00 H new ATOM 0 HG21 THR A 41 -8.036 4.880 -7.575 1.00 0.00 H new ATOM 0 HG22 THR A 41 -8.632 6.148 -6.478 1.00 0.00 H new ATOM 0 HG23 THR A 41 -9.633 5.615 -7.848 1.00 0.00 H new ATOM 628 N PRO A 42 -10.892 7.017 -8.496 1.00 0.00 N ATOM 629 CA PRO A 42 -12.303 6.769 -8.173 1.00 0.00 C ATOM 630 C PRO A 42 -12.618 6.837 -6.674 1.00 0.00 C ATOM 631 O PRO A 42 -13.700 6.434 -6.247 1.00 0.00 O ATOM 632 CB PRO A 42 -12.564 5.349 -8.705 1.00 0.00 C ATOM 633 CG PRO A 42 -11.246 4.841 -9.196 1.00 0.00 C ATOM 634 CD PRO A 42 -10.407 6.050 -9.487 1.00 0.00 C ATOM 0 HA PRO A 42 -12.936 7.536 -8.618 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -12.962 4.706 -7.920 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -13.300 5.363 -9.509 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -10.770 4.209 -8.446 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -11.374 4.232 -10.091 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -9.343 5.845 -9.367 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -10.550 6.407 -10.507 1.00 0.00 H new ATOM 642 N GLY A 43 -11.685 7.357 -5.880 1.00 0.00 N ATOM 643 CA GLY A 43 -11.913 7.469 -4.451 1.00 0.00 C ATOM 644 C GLY A 43 -11.014 6.569 -3.628 1.00 0.00 C ATOM 645 O GLY A 43 -11.291 6.318 -2.455 1.00 0.00 O ATOM 0 H GLY A 43 -10.780 7.701 -6.200 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -11.758 8.504 -4.145 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -12.954 7.226 -4.236 1.00 0.00 H new ATOM 649 N THR A 44 -9.940 6.075 -4.235 1.00 0.00 N ATOM 650 CA THR A 44 -9.019 5.196 -3.527 1.00 0.00 C ATOM 651 C THR A 44 -7.688 5.874 -3.231 1.00 0.00 C ATOM 652 O THR A 44 -7.527 7.081 -3.401 1.00 0.00 O ATOM 653 CB THR A 44 -8.751 3.925 -4.327 1.00 0.00 C ATOM 654 OG1 THR A 44 -7.365 3.627 -4.330 1.00 0.00 O ATOM 655 CG2 THR A 44 -9.198 3.992 -5.770 1.00 0.00 C ATOM 0 H THR A 44 -9.688 6.266 -5.205 1.00 0.00 H new ATOM 0 HA THR A 44 -9.502 4.947 -2.582 1.00 0.00 H new ATOM 0 HB THR A 44 -9.337 3.153 -3.827 1.00 0.00 H new ATOM 0 HG1 THR A 44 -7.156 3.048 -5.093 1.00 0.00 H new ATOM 0 HG21 THR A 44 -8.970 3.048 -6.266 1.00 0.00 H new ATOM 0 HG22 THR A 44 -10.272 4.173 -5.810 1.00 0.00 H new ATOM 0 HG23 THR A 44 -8.674 4.803 -6.276 1.00 0.00 H new ATOM 663 N TYR A 45 -6.742 5.056 -2.786 1.00 0.00 N ATOM 664 CA TYR A 45 -5.403 5.513 -2.452 1.00 0.00 C ATOM 665 C TYR A 45 -4.350 4.577 -3.045 1.00 0.00 C ATOM 666 O TYR A 45 -4.642 3.432 -3.402 1.00 0.00 O ATOM 667 CB TYR A 45 -5.232 5.606 -0.934 1.00 0.00 C ATOM 668 CG TYR A 45 -6.362 6.339 -0.249 1.00 0.00 C ATOM 669 CD1 TYR A 45 -7.599 5.736 -0.084 1.00 0.00 C ATOM 670 CD2 TYR A 45 -6.194 7.634 0.227 1.00 0.00 C ATOM 671 CE1 TYR A 45 -8.638 6.396 0.533 1.00 0.00 C ATOM 672 CE2 TYR A 45 -7.232 8.305 0.848 1.00 0.00 C ATOM 673 CZ TYR A 45 -8.452 7.681 0.998 1.00 0.00 C ATOM 674 OH TYR A 45 -9.488 8.345 1.615 1.00 0.00 O ATOM 0 H TYR A 45 -6.884 4.056 -2.647 1.00 0.00 H new ATOM 0 HA TYR A 45 -5.265 6.506 -2.881 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -5.158 4.600 -0.521 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -4.292 6.112 -0.711 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -7.751 4.730 -0.446 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -5.239 8.124 0.110 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -9.595 5.909 0.652 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -7.088 9.311 1.213 1.00 0.00 H new ATOM 0 HH TYR A 45 -9.639 7.962 2.504 1.00 0.00 H new ATOM 684 N THR A 46 -3.127 5.068 -3.164 1.00 0.00 N ATOM 685 CA THR A 46 -2.042 4.269 -3.713 1.00 0.00 C ATOM 686 C THR A 46 -1.275 3.578 -2.585 1.00 0.00 C ATOM 687 O THR A 46 -1.239 4.082 -1.464 1.00 0.00 O ATOM 688 CB THR A 46 -1.105 5.151 -4.527 1.00 0.00 C ATOM 689 OG1 THR A 46 -1.841 6.018 -5.371 1.00 0.00 O ATOM 690 CG2 THR A 46 -0.159 4.357 -5.398 1.00 0.00 C ATOM 0 H THR A 46 -2.861 6.013 -2.889 1.00 0.00 H new ATOM 0 HA THR A 46 -2.461 3.505 -4.368 1.00 0.00 H new ATOM 0 HB THR A 46 -0.523 5.714 -3.798 1.00 0.00 H new ATOM 0 HG1 THR A 46 -2.265 6.718 -4.832 1.00 0.00 H new ATOM 0 HG21 THR A 46 0.484 5.040 -5.954 1.00 0.00 H new ATOM 0 HG22 THR A 46 0.455 3.709 -4.772 1.00 0.00 H new ATOM 0 HG23 THR A 46 -0.732 3.748 -6.097 1.00 0.00 H new ATOM 698 N VAL A 47 -0.669 2.424 -2.872 1.00 0.00 N ATOM 699 CA VAL A 47 0.079 1.692 -1.857 1.00 0.00 C ATOM 700 C VAL A 47 1.525 1.473 -2.270 1.00 0.00 C ATOM 701 O VAL A 47 1.809 0.721 -3.199 1.00 0.00 O ATOM 702 CB VAL A 47 -0.547 0.320 -1.549 1.00 0.00 C ATOM 703 CG1 VAL A 47 0.425 -0.522 -0.730 1.00 0.00 C ATOM 704 CG2 VAL A 47 -1.875 0.484 -0.824 1.00 0.00 C ATOM 0 H VAL A 47 -0.683 1.982 -3.791 1.00 0.00 H new ATOM 0 HA VAL A 47 0.042 2.314 -0.962 1.00 0.00 H new ATOM 0 HB VAL A 47 -0.745 -0.196 -2.488 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -0.025 -1.492 -0.516 1.00 0.00 H new ATOM 0 HG12 VAL A 47 1.346 -0.666 -1.294 1.00 0.00 H new ATOM 0 HG13 VAL A 47 0.649 -0.011 0.206 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -2.300 -0.498 -0.616 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -1.714 1.016 0.114 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -2.563 1.052 -1.450 1.00 0.00 H new ATOM 714 N SER A 48 2.436 2.111 -1.551 1.00 0.00 N ATOM 715 CA SER A 48 3.856 1.965 -1.821 1.00 0.00 C ATOM 716 C SER A 48 4.389 0.750 -1.075 1.00 0.00 C ATOM 717 O SER A 48 4.475 0.757 0.155 1.00 0.00 O ATOM 718 CB SER A 48 4.619 3.220 -1.382 1.00 0.00 C ATOM 719 OG SER A 48 3.794 4.369 -1.457 1.00 0.00 O ATOM 0 H SER A 48 2.216 2.735 -0.775 1.00 0.00 H new ATOM 0 HA SER A 48 4.000 1.830 -2.893 1.00 0.00 H new ATOM 0 HB2 SER A 48 4.979 3.092 -0.361 1.00 0.00 H new ATOM 0 HB3 SER A 48 5.496 3.356 -2.014 1.00 0.00 H new ATOM 0 HG SER A 48 4.143 5.062 -0.858 1.00 0.00 H new ATOM 725 N VAL A 49 4.742 -0.290 -1.816 1.00 0.00 N ATOM 726 CA VAL A 49 5.267 -1.504 -1.208 1.00 0.00 C ATOM 727 C VAL A 49 6.733 -1.680 -1.572 1.00 0.00 C ATOM 728 O VAL A 49 7.118 -1.535 -2.734 1.00 0.00 O ATOM 729 CB VAL A 49 4.471 -2.745 -1.641 1.00 0.00 C ATOM 730 CG1 VAL A 49 3.003 -2.601 -1.260 1.00 0.00 C ATOM 731 CG2 VAL A 49 4.625 -2.970 -3.133 1.00 0.00 C ATOM 0 H VAL A 49 4.675 -0.318 -2.833 1.00 0.00 H new ATOM 0 HA VAL A 49 5.169 -1.401 -0.127 1.00 0.00 H new ATOM 0 HB VAL A 49 4.868 -3.616 -1.119 1.00 0.00 H new ATOM 0 HG11 VAL A 49 2.456 -3.490 -1.575 1.00 0.00 H new ATOM 0 HG12 VAL A 49 2.917 -2.486 -0.179 1.00 0.00 H new ATOM 0 HG13 VAL A 49 2.584 -1.724 -1.752 1.00 0.00 H new ATOM 0 HG21 VAL A 49 4.057 -3.852 -3.429 1.00 0.00 H new ATOM 0 HG22 VAL A 49 4.251 -2.100 -3.673 1.00 0.00 H new ATOM 0 HG23 VAL A 49 5.678 -3.120 -3.372 1.00 0.00 H new ATOM 741 N PHE A 50 7.551 -1.962 -0.566 1.00 0.00 N ATOM 742 CA PHE A 50 8.983 -2.118 -0.770 1.00 0.00 C ATOM 743 C PHE A 50 9.487 -3.452 -0.219 1.00 0.00 C ATOM 744 O PHE A 50 9.275 -3.776 0.953 1.00 0.00 O ATOM 745 CB PHE A 50 9.699 -0.944 -0.104 1.00 0.00 C ATOM 746 CG PHE A 50 11.146 -1.167 0.197 1.00 0.00 C ATOM 747 CD1 PHE A 50 11.533 -2.099 1.141 1.00 0.00 C ATOM 748 CD2 PHE A 50 12.121 -0.425 -0.450 1.00 0.00 C ATOM 749 CE1 PHE A 50 12.865 -2.288 1.435 1.00 0.00 C ATOM 750 CE2 PHE A 50 13.455 -0.612 -0.163 1.00 0.00 C ATOM 751 CZ PHE A 50 13.827 -1.543 0.780 1.00 0.00 C ATOM 0 H PHE A 50 7.246 -2.087 0.399 1.00 0.00 H new ATOM 0 HA PHE A 50 9.195 -2.121 -1.839 1.00 0.00 H new ATOM 0 HB2 PHE A 50 9.610 -0.071 -0.750 1.00 0.00 H new ATOM 0 HB3 PHE A 50 9.184 -0.706 0.826 1.00 0.00 H new ATOM 0 HD1 PHE A 50 10.784 -2.685 1.653 1.00 0.00 H new ATOM 0 HD2 PHE A 50 11.832 0.309 -1.188 1.00 0.00 H new ATOM 0 HE1 PHE A 50 13.157 -3.017 2.176 1.00 0.00 H new ATOM 0 HE2 PHE A 50 14.206 -0.030 -0.676 1.00 0.00 H new ATOM 0 HZ PHE A 50 14.872 -1.691 1.008 1.00 0.00 H new ATOM 761 N THR A 51 10.153 -4.221 -1.081 1.00 0.00 N ATOM 762 CA THR A 51 10.688 -5.525 -0.706 1.00 0.00 C ATOM 763 C THR A 51 12.182 -5.462 -0.455 1.00 0.00 C ATOM 764 O THR A 51 12.926 -4.867 -1.234 1.00 0.00 O ATOM 765 CB THR A 51 10.445 -6.550 -1.814 1.00 0.00 C ATOM 766 OG1 THR A 51 9.062 -6.760 -2.025 1.00 0.00 O ATOM 767 CG2 THR A 51 11.085 -7.890 -1.531 1.00 0.00 C ATOM 0 H THR A 51 10.334 -3.958 -2.050 1.00 0.00 H new ATOM 0 HA THR A 51 10.173 -5.822 0.208 1.00 0.00 H new ATOM 0 HB THR A 51 10.907 -6.124 -2.705 1.00 0.00 H new ATOM 0 HG1 THR A 51 8.640 -7.031 -1.183 1.00 0.00 H new ATOM 0 HG21 THR A 51 10.877 -8.574 -2.354 1.00 0.00 H new ATOM 0 HG22 THR A 51 12.163 -7.764 -1.428 1.00 0.00 H new ATOM 0 HG23 THR A 51 10.678 -8.300 -0.607 1.00 0.00 H new ATOM 775 N LYS A 52 12.624 -6.113 0.609 1.00 0.00 N ATOM 776 CA LYS A 52 14.035 -6.156 0.914 1.00 0.00 C ATOM 777 C LYS A 52 14.656 -7.378 0.284 1.00 0.00 C ATOM 778 O LYS A 52 13.981 -8.380 0.048 1.00 0.00 O ATOM 779 CB LYS A 52 14.271 -6.149 2.414 1.00 0.00 C ATOM 780 CG LYS A 52 14.424 -4.749 2.952 1.00 0.00 C ATOM 781 CD LYS A 52 14.937 -3.806 1.872 1.00 0.00 C ATOM 782 CE LYS A 52 16.392 -4.087 1.530 1.00 0.00 C ATOM 783 NZ LYS A 52 17.126 -2.846 1.157 1.00 0.00 N ATOM 0 H LYS A 52 12.027 -6.613 1.268 1.00 0.00 H new ATOM 0 HA LYS A 52 14.506 -5.264 0.501 1.00 0.00 H new ATOM 0 HB2 LYS A 52 13.438 -6.641 2.915 1.00 0.00 H new ATOM 0 HB3 LYS A 52 15.167 -6.726 2.643 1.00 0.00 H new ATOM 0 HG2 LYS A 52 13.465 -4.392 3.327 1.00 0.00 H new ATOM 0 HG3 LYS A 52 15.114 -4.752 3.796 1.00 0.00 H new ATOM 0 HD2 LYS A 52 14.325 -3.910 0.976 1.00 0.00 H new ATOM 0 HD3 LYS A 52 14.834 -2.775 2.210 1.00 0.00 H new ATOM 0 HE2 LYS A 52 16.881 -4.555 2.384 1.00 0.00 H new ATOM 0 HE3 LYS A 52 16.440 -4.799 0.706 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 18.114 -3.081 0.931 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 16.675 -2.412 0.326 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 17.103 -2.177 1.953 1.00 0.00 H new ATOM 797 N ALA A 53 15.933 -7.282 -0.021 1.00 0.00 N ATOM 798 CA ALA A 53 16.619 -8.378 -0.660 1.00 0.00 C ATOM 799 C ALA A 53 17.998 -7.939 -1.140 1.00 0.00 C ATOM 800 O ALA A 53 18.310 -6.749 -1.143 1.00 0.00 O ATOM 801 CB ALA A 53 15.762 -8.874 -1.814 1.00 0.00 C ATOM 0 H ALA A 53 16.511 -6.462 0.163 1.00 0.00 H new ATOM 0 HA ALA A 53 16.771 -9.191 0.050 1.00 0.00 H new ATOM 0 HB1 ALA A 53 16.265 -9.704 -2.310 1.00 0.00 H new ATOM 0 HB2 ALA A 53 14.798 -9.210 -1.433 1.00 0.00 H new ATOM 0 HB3 ALA A 53 15.608 -8.064 -2.527 1.00 0.00 H new ATOM 807 N ILE A 54 18.822 -8.899 -1.541 1.00 0.00 N ATOM 808 CA ILE A 54 20.166 -8.592 -2.015 1.00 0.00 C ATOM 809 C ILE A 54 20.146 -7.407 -2.977 1.00 0.00 C ATOM 810 O ILE A 54 19.846 -6.281 -2.582 1.00 0.00 O ATOM 811 CB ILE A 54 20.807 -9.806 -2.713 1.00 0.00 C ATOM 812 CG1 ILE A 54 20.842 -11.005 -1.764 1.00 0.00 C ATOM 813 CG2 ILE A 54 22.209 -9.463 -3.192 1.00 0.00 C ATOM 814 CD1 ILE A 54 21.585 -10.732 -0.475 1.00 0.00 C ATOM 0 H ILE A 54 18.585 -9.891 -1.548 1.00 0.00 H new ATOM 0 HA ILE A 54 20.764 -8.335 -1.141 1.00 0.00 H new ATOM 0 HB ILE A 54 20.202 -10.069 -3.581 1.00 0.00 H new ATOM 0 HG12 ILE A 54 19.820 -11.302 -1.529 1.00 0.00 H new ATOM 0 HG13 ILE A 54 21.310 -11.848 -2.273 1.00 0.00 H new ATOM 0 HG21 ILE A 54 22.648 -10.331 -3.683 1.00 0.00 H new ATOM 0 HG22 ILE A 54 22.160 -8.633 -3.897 1.00 0.00 H new ATOM 0 HG23 ILE A 54 22.825 -9.178 -2.339 1.00 0.00 H new ATOM 0 HD11 ILE A 54 21.570 -11.625 0.150 1.00 0.00 H new ATOM 0 HD12 ILE A 54 22.617 -10.464 -0.700 1.00 0.00 H new ATOM 0 HD13 ILE A 54 21.104 -9.910 0.055 1.00 0.00 H new ATOM 826 N ILE A 55 20.464 -7.668 -4.240 1.00 0.00 N ATOM 827 CA ILE A 55 20.477 -6.619 -5.255 1.00 0.00 C ATOM 828 C ILE A 55 20.461 -7.208 -6.663 1.00 0.00 C ATOM 829 O ILE A 55 20.375 -6.476 -7.650 1.00 0.00 O ATOM 830 CB ILE A 55 21.707 -5.704 -5.107 1.00 0.00 C ATOM 831 CG1 ILE A 55 22.922 -6.330 -5.795 1.00 0.00 C ATOM 832 CG2 ILE A 55 21.999 -5.441 -3.638 1.00 0.00 C ATOM 833 CD1 ILE A 55 23.369 -7.632 -5.166 1.00 0.00 C ATOM 0 H ILE A 55 20.716 -8.594 -4.586 1.00 0.00 H new ATOM 0 HA ILE A 55 19.574 -6.028 -5.103 1.00 0.00 H new ATOM 0 HB ILE A 55 21.492 -4.751 -5.590 1.00 0.00 H new ATOM 0 HG12 ILE A 55 22.685 -6.505 -6.844 1.00 0.00 H new ATOM 0 HG13 ILE A 55 23.749 -5.621 -5.769 1.00 0.00 H new ATOM 0 HG21 ILE A 55 22.871 -4.793 -3.551 1.00 0.00 H new ATOM 0 HG22 ILE A 55 21.139 -4.956 -3.177 1.00 0.00 H new ATOM 0 HG23 ILE A 55 22.197 -6.386 -3.132 1.00 0.00 H new ATOM 0 HD11 ILE A 55 24.234 -8.018 -5.705 1.00 0.00 H new ATOM 0 HD12 ILE A 55 23.638 -7.459 -4.124 1.00 0.00 H new ATOM 0 HD13 ILE A 55 22.557 -8.358 -5.216 1.00 0.00 H new ATOM 845 N SER A 56 20.543 -8.532 -6.752 1.00 0.00 N ATOM 846 CA SER A 56 20.537 -9.214 -8.040 1.00 0.00 C ATOM 847 C SER A 56 19.115 -9.347 -8.574 1.00 0.00 C ATOM 848 O SER A 56 18.839 -10.187 -9.431 1.00 0.00 O ATOM 849 CB SER A 56 21.177 -10.597 -7.911 1.00 0.00 C ATOM 850 OG SER A 56 20.247 -11.545 -7.416 1.00 0.00 O ATOM 0 H SER A 56 20.614 -9.154 -5.946 1.00 0.00 H new ATOM 0 HA SER A 56 21.118 -8.618 -8.744 1.00 0.00 H new ATOM 0 HB2 SER A 56 21.549 -10.921 -8.883 1.00 0.00 H new ATOM 0 HB3 SER A 56 22.036 -10.543 -7.243 1.00 0.00 H new ATOM 0 HG SER A 56 19.689 -11.127 -6.728 1.00 0.00 H new ATOM 856 N GLU A 57 18.216 -8.515 -8.058 1.00 0.00 N ATOM 857 CA GLU A 57 16.820 -8.537 -8.480 1.00 0.00 C ATOM 858 C GLU A 57 15.945 -9.190 -7.416 1.00 0.00 C ATOM 859 O GLU A 57 15.129 -10.061 -7.718 1.00 0.00 O ATOM 860 CB GLU A 57 16.677 -9.289 -9.804 1.00 0.00 C ATOM 861 CG GLU A 57 15.351 -9.042 -10.504 1.00 0.00 C ATOM 862 CD GLU A 57 15.224 -7.625 -11.027 1.00 0.00 C ATOM 863 OE1 GLU A 57 16.228 -6.883 -10.980 1.00 0.00 O ATOM 864 OE2 GLU A 57 14.122 -7.257 -11.485 1.00 0.00 O ATOM 0 H GLU A 57 18.430 -7.816 -7.346 1.00 0.00 H new ATOM 0 HA GLU A 57 16.490 -7.507 -8.618 1.00 0.00 H new ATOM 0 HB2 GLU A 57 17.489 -8.995 -10.469 1.00 0.00 H new ATOM 0 HB3 GLU A 57 16.787 -10.358 -9.619 1.00 0.00 H new ATOM 0 HG2 GLU A 57 15.246 -9.742 -11.333 1.00 0.00 H new ATOM 0 HG3 GLU A 57 14.535 -9.244 -9.810 1.00 0.00 H new ATOM 871 N ASN A 58 16.122 -8.768 -6.168 1.00 0.00 N ATOM 872 CA ASN A 58 15.349 -9.321 -5.062 1.00 0.00 C ATOM 873 C ASN A 58 14.572 -8.230 -4.315 1.00 0.00 C ATOM 874 O ASN A 58 13.356 -8.334 -4.160 1.00 0.00 O ATOM 875 CB ASN A 58 16.265 -10.090 -4.109 1.00 0.00 C ATOM 876 CG ASN A 58 16.876 -11.315 -4.760 1.00 0.00 C ATOM 877 OD1 ASN A 58 17.823 -11.212 -5.539 1.00 0.00 O ATOM 878 ND2 ASN A 58 16.335 -12.485 -4.441 1.00 0.00 N ATOM 0 H ASN A 58 16.792 -8.047 -5.898 1.00 0.00 H new ATOM 0 HA ASN A 58 14.616 -10.013 -5.476 1.00 0.00 H new ATOM 0 HB2 ASN A 58 17.061 -9.431 -3.763 1.00 0.00 H new ATOM 0 HB3 ASN A 58 15.697 -10.394 -3.229 1.00 0.00 H new ATOM 0 HD21 ASN A 58 16.704 -13.345 -4.847 1.00 0.00 H new ATOM 0 HD22 ASN A 58 15.550 -12.524 -3.790 1.00 0.00 H new ATOM 885 N PRO A 59 15.248 -7.156 -3.855 1.00 0.00 N ATOM 886 CA PRO A 59 14.584 -6.058 -3.148 1.00 0.00 C ATOM 887 C PRO A 59 13.935 -5.092 -4.129 1.00 0.00 C ATOM 888 O PRO A 59 14.619 -4.439 -4.917 1.00 0.00 O ATOM 889 CB PRO A 59 15.726 -5.393 -2.397 1.00 0.00 C ATOM 890 CG PRO A 59 16.924 -5.614 -3.262 1.00 0.00 C ATOM 891 CD PRO A 59 16.696 -6.912 -4.002 1.00 0.00 C ATOM 0 HA PRO A 59 13.779 -6.392 -2.493 1.00 0.00 H new ATOM 0 HB2 PRO A 59 15.536 -4.330 -2.247 1.00 0.00 H new ATOM 0 HB3 PRO A 59 15.862 -5.835 -1.410 1.00 0.00 H new ATOM 0 HG2 PRO A 59 17.053 -4.788 -3.961 1.00 0.00 H new ATOM 0 HG3 PRO A 59 17.831 -5.667 -2.660 1.00 0.00 H new ATOM 0 HD2 PRO A 59 16.983 -6.830 -5.050 1.00 0.00 H new ATOM 0 HD3 PRO A 59 17.283 -7.724 -3.574 1.00 0.00 H new ATOM 899 N CYS A 60 12.610 -5.038 -4.107 1.00 0.00 N ATOM 900 CA CYS A 60 11.871 -4.183 -5.034 1.00 0.00 C ATOM 901 C CYS A 60 10.750 -3.393 -4.365 1.00 0.00 C ATOM 902 O CYS A 60 10.219 -3.793 -3.330 1.00 0.00 O ATOM 903 CB CYS A 60 11.282 -5.046 -6.149 1.00 0.00 C ATOM 904 SG CYS A 60 12.345 -5.199 -7.605 1.00 0.00 S ATOM 0 H CYS A 60 12.026 -5.571 -3.463 1.00 0.00 H new ATOM 0 HA CYS A 60 12.579 -3.455 -5.429 1.00 0.00 H new ATOM 0 HB2 CYS A 60 11.079 -6.042 -5.754 1.00 0.00 H new ATOM 0 HB3 CYS A 60 10.325 -4.623 -6.454 1.00 0.00 H new ATOM 0 HG CYS A 60 11.761 -5.949 -8.492 1.00 0.00 H new ATOM 910 N ILE A 61 10.360 -2.290 -5.007 1.00 0.00 N ATOM 911 CA ILE A 61 9.259 -1.461 -4.525 1.00 0.00 C ATOM 912 C ILE A 61 8.199 -1.324 -5.603 1.00 0.00 C ATOM 913 O ILE A 61 8.515 -1.162 -6.782 1.00 0.00 O ATOM 914 CB ILE A 61 9.688 -0.036 -4.123 1.00 0.00 C ATOM 915 CG1 ILE A 61 10.726 -0.074 -3.005 1.00 0.00 C ATOM 916 CG2 ILE A 61 8.462 0.771 -3.692 1.00 0.00 C ATOM 917 CD1 ILE A 61 11.971 -0.853 -3.364 1.00 0.00 C ATOM 0 H ILE A 61 10.794 -1.951 -5.866 1.00 0.00 H new ATOM 0 HA ILE A 61 8.879 -1.969 -3.639 1.00 0.00 H new ATOM 0 HB ILE A 61 10.146 0.447 -4.986 1.00 0.00 H new ATOM 0 HG12 ILE A 61 11.008 0.947 -2.747 1.00 0.00 H new ATOM 0 HG13 ILE A 61 10.275 -0.515 -2.116 1.00 0.00 H new ATOM 0 HG21 ILE A 61 8.770 1.777 -3.409 1.00 0.00 H new ATOM 0 HG22 ILE A 61 7.754 0.827 -4.519 1.00 0.00 H new ATOM 0 HG23 ILE A 61 7.987 0.284 -2.841 1.00 0.00 H new ATOM 0 HD11 ILE A 61 12.665 -0.838 -2.523 1.00 0.00 H new ATOM 0 HD12 ILE A 61 11.702 -1.884 -3.594 1.00 0.00 H new ATOM 0 HD13 ILE A 61 12.446 -0.400 -4.234 1.00 0.00 H new ATOM 929 N LYS A 62 6.946 -1.364 -5.194 1.00 0.00 N ATOM 930 CA LYS A 62 5.842 -1.217 -6.125 1.00 0.00 C ATOM 931 C LYS A 62 4.685 -0.507 -5.441 1.00 0.00 C ATOM 932 O LYS A 62 4.413 -0.737 -4.260 1.00 0.00 O ATOM 933 CB LYS A 62 5.403 -2.575 -6.673 1.00 0.00 C ATOM 934 CG LYS A 62 5.045 -3.583 -5.598 1.00 0.00 C ATOM 935 CD LYS A 62 4.927 -4.990 -6.165 1.00 0.00 C ATOM 936 CE LYS A 62 4.585 -4.973 -7.647 1.00 0.00 C ATOM 937 NZ LYS A 62 3.116 -4.873 -7.878 1.00 0.00 N ATOM 0 H LYS A 62 6.666 -1.497 -4.222 1.00 0.00 H new ATOM 0 HA LYS A 62 6.174 -0.614 -6.970 1.00 0.00 H new ATOM 0 HB2 LYS A 62 4.541 -2.432 -7.325 1.00 0.00 H new ATOM 0 HB3 LYS A 62 6.204 -2.984 -7.289 1.00 0.00 H new ATOM 0 HG2 LYS A 62 5.805 -3.568 -4.817 1.00 0.00 H new ATOM 0 HG3 LYS A 62 4.102 -3.298 -5.131 1.00 0.00 H new ATOM 0 HD2 LYS A 62 5.866 -5.523 -6.014 1.00 0.00 H new ATOM 0 HD3 LYS A 62 4.158 -5.538 -5.620 1.00 0.00 H new ATOM 0 HE2 LYS A 62 5.086 -4.131 -8.125 1.00 0.00 H new ATOM 0 HE3 LYS A 62 4.965 -5.880 -8.118 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 2.895 -5.182 -8.846 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 2.616 -5.480 -7.198 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 2.811 -3.887 -7.751 1.00 0.00 H new ATOM 951 N HIS A 63 4.026 0.381 -6.171 1.00 0.00 N ATOM 952 CA HIS A 63 2.924 1.138 -5.613 1.00 0.00 C ATOM 953 C HIS A 63 1.575 0.529 -5.991 1.00 0.00 C ATOM 954 O HIS A 63 1.112 0.679 -7.122 1.00 0.00 O ATOM 955 CB HIS A 63 2.993 2.586 -6.094 1.00 0.00 C ATOM 956 CG HIS A 63 4.365 3.178 -6.014 1.00 0.00 C ATOM 957 ND1 HIS A 63 4.908 3.702 -4.862 1.00 0.00 N ATOM 958 CD2 HIS A 63 5.313 3.324 -6.975 1.00 0.00 C ATOM 959 CE1 HIS A 63 6.142 4.140 -5.152 1.00 0.00 C ATOM 960 NE2 HIS A 63 6.436 3.933 -6.421 1.00 0.00 N ATOM 0 H HIS A 63 4.237 0.592 -7.146 1.00 0.00 H new ATOM 0 HA HIS A 63 3.013 1.107 -4.527 1.00 0.00 H new ATOM 0 HB2 HIS A 63 2.645 2.635 -7.126 1.00 0.00 H new ATOM 0 HB3 HIS A 63 2.310 3.191 -5.498 1.00 0.00 H new ATOM 0 HD2 HIS A 63 5.212 3.017 -8.005 1.00 0.00 H new ATOM 0 HE1 HIS A 63 6.809 4.602 -4.439 1.00 0.00 H new ATOM 0 HE2 HIS A 63 7.306 4.170 -6.898 1.00 0.00 H new ATOM 968 N TYR A 64 0.946 -0.148 -5.036 1.00 0.00 N ATOM 969 CA TYR A 64 -0.355 -0.769 -5.265 1.00 0.00 C ATOM 970 C TYR A 64 -1.478 0.228 -5.043 1.00 0.00 C ATOM 971 O TYR A 64 -1.601 0.791 -3.957 1.00 0.00 O ATOM 972 CB TYR A 64 -0.562 -1.935 -4.310 1.00 0.00 C ATOM 973 CG TYR A 64 0.241 -3.144 -4.672 1.00 0.00 C ATOM 974 CD1 TYR A 64 1.573 -3.228 -4.323 1.00 0.00 C ATOM 975 CD2 TYR A 64 -0.331 -4.196 -5.367 1.00 0.00 C ATOM 976 CE1 TYR A 64 2.323 -4.336 -4.653 1.00 0.00 C ATOM 977 CE2 TYR A 64 0.408 -5.309 -5.702 1.00 0.00 C ATOM 978 CZ TYR A 64 1.737 -5.377 -5.342 1.00 0.00 C ATOM 979 OH TYR A 64 2.481 -6.486 -5.673 1.00 0.00 O ATOM 0 H TYR A 64 1.316 -0.281 -4.095 1.00 0.00 H new ATOM 0 HA TYR A 64 -0.372 -1.119 -6.297 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -0.298 -1.620 -3.300 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -1.619 -2.200 -4.295 1.00 0.00 H new ATOM 0 HD1 TYR A 64 2.034 -2.414 -3.784 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -1.372 -4.143 -5.651 1.00 0.00 H new ATOM 0 HE1 TYR A 64 3.365 -4.389 -4.373 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -0.051 -6.123 -6.243 1.00 0.00 H new ATOM 0 HH TYR A 64 1.917 -7.126 -6.155 1.00 0.00 H new ATOM 989 N HIS A 65 -2.321 0.428 -6.045 1.00 0.00 N ATOM 990 CA HIS A 65 -3.436 1.339 -5.878 1.00 0.00 C ATOM 991 C HIS A 65 -4.640 0.595 -5.355 1.00 0.00 C ATOM 992 O HIS A 65 -4.889 -0.549 -5.733 1.00 0.00 O ATOM 993 CB HIS A 65 -3.813 2.053 -7.169 1.00 0.00 C ATOM 994 CG HIS A 65 -4.181 3.469 -6.923 1.00 0.00 C ATOM 995 ND1 HIS A 65 -4.162 4.043 -5.682 1.00 0.00 N ATOM 996 CD2 HIS A 65 -4.591 4.430 -7.778 1.00 0.00 C ATOM 997 CE1 HIS A 65 -4.551 5.309 -5.810 1.00 0.00 C ATOM 998 NE2 HIS A 65 -4.825 5.600 -7.067 1.00 0.00 N ATOM 0 H HIS A 65 -2.256 -0.018 -6.960 1.00 0.00 H new ATOM 0 HA HIS A 65 -3.115 2.096 -5.163 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -2.977 2.010 -7.867 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -4.649 1.536 -7.641 1.00 0.00 H new ATOM 0 HD1 HIS A 65 -3.896 3.582 -4.812 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -4.717 4.309 -8.844 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -4.632 6.008 -4.991 1.00 0.00 H new ATOM 1006 N ILE A 66 -5.393 1.248 -4.492 1.00 0.00 N ATOM 1007 CA ILE A 66 -6.579 0.622 -3.938 1.00 0.00 C ATOM 1008 C ILE A 66 -7.767 0.838 -4.860 1.00 0.00 C ATOM 1009 O ILE A 66 -8.324 1.926 -4.923 1.00 0.00 O ATOM 1010 CB ILE A 66 -6.912 1.179 -2.542 1.00 0.00 C ATOM 1011 CG1 ILE A 66 -5.787 2.089 -2.065 1.00 0.00 C ATOM 1012 CG2 ILE A 66 -7.142 0.048 -1.552 1.00 0.00 C ATOM 1013 CD1 ILE A 66 -4.426 1.427 -2.080 1.00 0.00 C ATOM 0 H ILE A 66 -5.210 2.196 -4.163 1.00 0.00 H new ATOM 0 HA ILE A 66 -6.373 -0.444 -3.845 1.00 0.00 H new ATOM 0 HB ILE A 66 -7.831 1.761 -2.608 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -5.757 2.977 -2.696 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -6.007 2.425 -1.052 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -7.376 0.464 -0.572 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -7.973 -0.570 -1.892 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -6.242 -0.563 -1.481 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -3.674 2.133 -1.728 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -4.438 0.555 -1.426 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -4.184 1.116 -3.096 1.00 0.00 H new ATOM 1025 N LYS A 67 -8.166 -0.205 -5.568 1.00 0.00 N ATOM 1026 CA LYS A 67 -9.301 -0.097 -6.461 1.00 0.00 C ATOM 1027 C LYS A 67 -10.576 -0.060 -5.636 1.00 0.00 C ATOM 1028 O LYS A 67 -10.611 -0.607 -4.531 1.00 0.00 O ATOM 1029 CB LYS A 67 -9.335 -1.259 -7.451 1.00 0.00 C ATOM 1030 CG LYS A 67 -10.333 -1.056 -8.580 1.00 0.00 C ATOM 1031 CD LYS A 67 -9.647 -0.591 -9.854 1.00 0.00 C ATOM 1032 CE LYS A 67 -9.230 0.867 -9.761 1.00 0.00 C ATOM 1033 NZ LYS A 67 -9.624 1.636 -10.974 1.00 0.00 N ATOM 0 H LYS A 67 -7.725 -1.125 -5.541 1.00 0.00 H new ATOM 0 HA LYS A 67 -9.213 0.822 -7.040 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -8.340 -1.396 -7.875 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -9.583 -2.176 -6.916 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -10.863 -1.989 -8.771 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -11.080 -0.321 -8.279 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -8.770 -1.210 -10.043 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -10.320 -0.725 -10.701 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -9.686 1.319 -8.880 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -8.150 0.928 -9.628 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -9.322 2.626 -10.871 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -9.169 1.220 -11.812 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -10.657 1.600 -11.088 1.00 0.00 H new ATOM 1047 N GLU A 68 -11.607 0.595 -6.166 1.00 0.00 N ATOM 1048 CA GLU A 68 -12.886 0.726 -5.469 1.00 0.00 C ATOM 1049 C GLU A 68 -13.996 -0.001 -6.222 1.00 0.00 C ATOM 1050 O GLU A 68 -14.094 0.098 -7.445 1.00 0.00 O ATOM 1051 CB GLU A 68 -13.245 2.212 -5.333 1.00 0.00 C ATOM 1052 CG GLU A 68 -13.059 2.759 -3.930 1.00 0.00 C ATOM 1053 CD GLU A 68 -14.273 3.521 -3.436 1.00 0.00 C ATOM 1054 OE1 GLU A 68 -15.342 2.893 -3.273 1.00 0.00 O ATOM 1055 OE2 GLU A 68 -14.156 4.743 -3.212 1.00 0.00 O ATOM 0 H GLU A 68 -11.581 1.046 -7.081 1.00 0.00 H new ATOM 0 HA GLU A 68 -12.789 0.275 -4.481 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -12.630 2.790 -6.023 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -14.283 2.355 -5.634 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -12.849 1.935 -3.248 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -12.190 3.417 -3.913 1.00 0.00 H new ATOM 1062 N THR A 69 -14.837 -0.728 -5.486 1.00 0.00 N ATOM 1063 CA THR A 69 -15.940 -1.461 -6.099 1.00 0.00 C ATOM 1064 C THR A 69 -17.113 -1.586 -5.132 1.00 0.00 C ATOM 1065 O THR A 69 -17.101 -2.423 -4.230 1.00 0.00 O ATOM 1066 CB THR A 69 -15.476 -2.849 -6.542 1.00 0.00 C ATOM 1067 OG1 THR A 69 -16.573 -3.622 -6.997 1.00 0.00 O ATOM 1068 CG2 THR A 69 -14.788 -3.630 -5.445 1.00 0.00 C ATOM 0 H THR A 69 -14.775 -0.824 -4.472 1.00 0.00 H new ATOM 0 HA THR A 69 -16.272 -0.903 -6.974 1.00 0.00 H new ATOM 0 HB THR A 69 -14.758 -2.671 -7.342 1.00 0.00 H new ATOM 0 HG1 THR A 69 -17.067 -3.974 -6.227 1.00 0.00 H new ATOM 0 HG21 THR A 69 -14.485 -4.605 -5.827 1.00 0.00 H new ATOM 0 HG22 THR A 69 -13.908 -3.083 -5.106 1.00 0.00 H new ATOM 0 HG23 THR A 69 -15.475 -3.766 -4.609 1.00 0.00 H new ATOM 1076 N ASN A 70 -18.122 -0.743 -5.329 1.00 0.00 N ATOM 1077 CA ASN A 70 -19.307 -0.747 -4.479 1.00 0.00 C ATOM 1078 C ASN A 70 -19.706 -2.167 -4.087 1.00 0.00 C ATOM 1079 O ASN A 70 -20.652 -2.729 -4.640 1.00 0.00 O ATOM 1080 CB ASN A 70 -20.473 -0.065 -5.195 1.00 0.00 C ATOM 1081 CG ASN A 70 -20.647 1.380 -4.774 1.00 0.00 C ATOM 1082 OD1 ASN A 70 -19.881 2.254 -5.181 1.00 0.00 O ATOM 1083 ND2 ASN A 70 -21.658 1.640 -3.954 1.00 0.00 N ATOM 0 H ASN A 70 -18.142 -0.046 -6.073 1.00 0.00 H new ATOM 0 HA ASN A 70 -19.065 -0.196 -3.570 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -20.310 -0.109 -6.272 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -21.392 -0.613 -4.989 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -21.825 2.595 -3.636 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -22.268 0.885 -3.641 1.00 0.00 H new ATOM 1090 N ASP A 71 -18.985 -2.742 -3.130 1.00 0.00 N ATOM 1091 CA ASP A 71 -19.274 -4.090 -2.670 1.00 0.00 C ATOM 1092 C ASP A 71 -19.820 -4.067 -1.254 1.00 0.00 C ATOM 1093 O ASP A 71 -19.962 -5.103 -0.603 1.00 0.00 O ATOM 1094 CB ASP A 71 -18.020 -4.946 -2.725 1.00 0.00 C ATOM 1095 CG ASP A 71 -17.445 -5.046 -4.125 1.00 0.00 C ATOM 1096 OD1 ASP A 71 -18.130 -4.623 -5.079 1.00 0.00 O ATOM 1097 OD2 ASP A 71 -16.310 -5.549 -4.267 1.00 0.00 O ATOM 0 H ASP A 71 -18.198 -2.294 -2.660 1.00 0.00 H new ATOM 0 HA ASP A 71 -20.028 -4.521 -3.329 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -17.268 -4.527 -2.056 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -18.251 -5.946 -2.358 1.00 0.00 H new ATOM 1102 N SER A 72 -20.118 -2.871 -0.793 1.00 0.00 N ATOM 1103 CA SER A 72 -20.650 -2.664 0.548 1.00 0.00 C ATOM 1104 C SER A 72 -20.448 -3.900 1.419 1.00 0.00 C ATOM 1105 O SER A 72 -21.376 -4.677 1.637 1.00 0.00 O ATOM 1106 CB SER A 72 -22.138 -2.316 0.480 1.00 0.00 C ATOM 1107 OG SER A 72 -22.598 -2.300 -0.861 1.00 0.00 O ATOM 0 H SER A 72 -20.001 -2.013 -1.332 1.00 0.00 H new ATOM 0 HA SER A 72 -20.106 -1.834 0.999 1.00 0.00 H new ATOM 0 HB2 SER A 72 -22.711 -3.043 1.056 1.00 0.00 H new ATOM 0 HB3 SER A 72 -22.308 -1.341 0.938 1.00 0.00 H new ATOM 0 HG SER A 72 -23.552 -2.077 -0.877 1.00 0.00 H new ATOM 1113 N PRO A 73 -19.223 -4.096 1.931 1.00 0.00 N ATOM 1114 CA PRO A 73 -18.102 -3.196 1.693 1.00 0.00 C ATOM 1115 C PRO A 73 -17.287 -3.590 0.465 1.00 0.00 C ATOM 1116 O PRO A 73 -17.596 -3.186 -0.656 1.00 0.00 O ATOM 1117 CB PRO A 73 -17.277 -3.370 2.963 1.00 0.00 C ATOM 1118 CG PRO A 73 -17.501 -4.792 3.376 1.00 0.00 C ATOM 1119 CD PRO A 73 -18.831 -5.222 2.794 1.00 0.00 C ATOM 0 HA PRO A 73 -18.419 -2.172 1.495 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -16.221 -3.174 2.778 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -17.598 -2.677 3.741 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -16.697 -5.430 3.011 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -17.510 -4.881 4.462 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -18.737 -6.147 2.225 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -19.569 -5.402 3.576 1.00 0.00 H new ATOM 1127 N LYS A 74 -16.246 -4.387 0.687 1.00 0.00 N ATOM 1128 CA LYS A 74 -15.381 -4.846 -0.396 1.00 0.00 C ATOM 1129 C LYS A 74 -15.378 -3.862 -1.555 1.00 0.00 C ATOM 1130 O LYS A 74 -15.661 -4.228 -2.696 1.00 0.00 O ATOM 1131 CB LYS A 74 -15.826 -6.229 -0.880 1.00 0.00 C ATOM 1132 CG LYS A 74 -16.037 -7.227 0.245 1.00 0.00 C ATOM 1133 CD LYS A 74 -17.505 -7.342 0.617 1.00 0.00 C ATOM 1134 CE LYS A 74 -18.284 -8.116 -0.434 1.00 0.00 C ATOM 1135 NZ LYS A 74 -19.692 -8.362 -0.014 1.00 0.00 N ATOM 0 H LYS A 74 -15.980 -4.730 1.610 1.00 0.00 H new ATOM 0 HA LYS A 74 -14.365 -4.913 -0.008 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -16.754 -6.127 -1.443 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -15.078 -6.622 -1.568 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -15.659 -8.204 -0.058 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -15.462 -6.920 1.118 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -17.600 -7.840 1.582 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -17.933 -6.346 0.729 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -18.277 -7.562 -1.372 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -17.790 -9.069 -0.623 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -20.189 -8.892 -0.758 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -19.700 -8.913 0.868 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -20.172 -7.453 0.142 1.00 0.00 H new ATOM 1149 N ARG A 75 -15.043 -2.615 -1.260 1.00 0.00 N ATOM 1150 CA ARG A 75 -14.989 -1.584 -2.281 1.00 0.00 C ATOM 1151 C ARG A 75 -13.568 -1.403 -2.797 1.00 0.00 C ATOM 1152 O ARG A 75 -13.322 -1.449 -4.001 1.00 0.00 O ATOM 1153 CB ARG A 75 -15.493 -0.253 -1.731 1.00 0.00 C ATOM 1154 CG ARG A 75 -16.976 -0.024 -1.964 1.00 0.00 C ATOM 1155 CD ARG A 75 -17.405 1.354 -1.489 1.00 0.00 C ATOM 1156 NE ARG A 75 -17.255 1.503 -0.045 1.00 0.00 N ATOM 1157 CZ ARG A 75 -18.205 1.986 0.750 1.00 0.00 C ATOM 1158 NH1 ARG A 75 -19.368 2.372 0.242 1.00 0.00 N ATOM 1159 NH2 ARG A 75 -17.992 2.085 2.055 1.00 0.00 N ATOM 0 H ARG A 75 -14.805 -2.294 -0.322 1.00 0.00 H new ATOM 0 HA ARG A 75 -15.630 -1.903 -3.103 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -15.291 -0.211 -0.661 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -14.931 0.558 -2.194 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -17.200 -0.131 -3.025 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -17.551 -0.787 -1.439 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -16.811 2.114 -1.996 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -18.445 1.526 -1.766 1.00 0.00 H new ATOM 0 HE ARG A 75 -16.371 1.221 0.378 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -19.536 2.299 -0.761 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -20.095 2.742 0.855 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -17.099 1.791 2.450 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -18.721 2.456 2.664 1.00 0.00 H new ATOM 1173 N TYR A 76 -12.639 -1.165 -1.875 1.00 0.00 N ATOM 1174 CA TYR A 76 -11.249 -0.935 -2.237 1.00 0.00 C ATOM 1175 C TYR A 76 -10.454 -2.233 -2.296 1.00 0.00 C ATOM 1176 O TYR A 76 -10.699 -3.160 -1.527 1.00 0.00 O ATOM 1177 CB TYR A 76 -10.609 0.027 -1.244 1.00 0.00 C ATOM 1178 CG TYR A 76 -11.543 1.130 -0.833 1.00 0.00 C ATOM 1179 CD1 TYR A 76 -12.786 1.247 -1.429 1.00 0.00 C ATOM 1180 CD2 TYR A 76 -11.192 2.045 0.142 1.00 0.00 C ATOM 1181 CE1 TYR A 76 -13.660 2.242 -1.071 1.00 0.00 C ATOM 1182 CE2 TYR A 76 -12.061 3.053 0.514 1.00 0.00 C ATOM 1183 CZ TYR A 76 -13.297 3.148 -0.095 1.00 0.00 C ATOM 1184 OH TYR A 76 -14.168 4.148 0.271 1.00 0.00 O ATOM 0 H TYR A 76 -12.826 -1.127 -0.873 1.00 0.00 H new ATOM 0 HA TYR A 76 -11.233 -0.496 -3.235 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -10.292 -0.526 -0.360 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -9.712 0.460 -1.688 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -13.075 0.540 -2.193 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -10.226 1.971 0.619 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -14.625 2.316 -1.550 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -11.775 3.762 1.277 1.00 0.00 H new ATOM 0 HH TYR A 76 -13.759 4.698 0.971 1.00 0.00 H new ATOM 1194 N TYR A 77 -9.495 -2.277 -3.214 1.00 0.00 N ATOM 1195 CA TYR A 77 -8.636 -3.458 -3.390 1.00 0.00 C ATOM 1196 C TYR A 77 -7.433 -3.137 -4.270 1.00 0.00 C ATOM 1197 O TYR A 77 -7.319 -2.033 -4.791 1.00 0.00 O ATOM 1198 CB TYR A 77 -9.425 -4.627 -3.980 1.00 0.00 C ATOM 1199 CG TYR A 77 -9.885 -4.406 -5.400 1.00 0.00 C ATOM 1200 CD1 TYR A 77 -10.920 -3.522 -5.673 1.00 0.00 C ATOM 1201 CD2 TYR A 77 -9.287 -5.075 -6.466 1.00 0.00 C ATOM 1202 CE1 TYR A 77 -11.354 -3.309 -6.965 1.00 0.00 C ATOM 1203 CE2 TYR A 77 -9.719 -4.860 -7.763 1.00 0.00 C ATOM 1204 CZ TYR A 77 -10.750 -3.979 -8.006 1.00 0.00 C ATOM 1205 OH TYR A 77 -11.178 -3.769 -9.297 1.00 0.00 O ATOM 0 H TYR A 77 -9.287 -1.510 -3.853 1.00 0.00 H new ATOM 0 HA TYR A 77 -8.272 -3.749 -2.404 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -8.806 -5.523 -3.945 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -10.296 -4.817 -3.353 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -11.394 -2.992 -4.860 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -8.479 -5.767 -6.278 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -12.163 -2.621 -7.159 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -9.249 -5.382 -8.583 1.00 0.00 H new ATOM 0 HH TYR A 77 -11.692 -4.546 -9.602 1.00 0.00 H new ATOM 1215 N VAL A 78 -6.522 -4.097 -4.428 1.00 0.00 N ATOM 1216 CA VAL A 78 -5.334 -3.871 -5.244 1.00 0.00 C ATOM 1217 C VAL A 78 -4.926 -5.121 -6.009 1.00 0.00 C ATOM 1218 O VAL A 78 -3.770 -5.540 -5.953 1.00 0.00 O ATOM 1219 CB VAL A 78 -4.140 -3.411 -4.388 1.00 0.00 C ATOM 1220 CG1 VAL A 78 -4.429 -2.067 -3.741 1.00 0.00 C ATOM 1221 CG2 VAL A 78 -3.804 -4.457 -3.335 1.00 0.00 C ATOM 0 H VAL A 78 -6.583 -5.024 -4.008 1.00 0.00 H new ATOM 0 HA VAL A 78 -5.600 -3.087 -5.953 1.00 0.00 H new ATOM 0 HB VAL A 78 -3.275 -3.293 -5.040 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -3.572 -1.760 -3.141 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -4.614 -1.323 -4.515 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -5.308 -2.152 -3.102 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -2.958 -4.115 -2.739 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -4.666 -4.610 -2.686 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -3.547 -5.396 -3.824 1.00 0.00 H new ATOM 1231 N ALA A 79 -5.873 -5.711 -6.726 1.00 0.00 N ATOM 1232 CA ALA A 79 -5.593 -6.908 -7.501 1.00 0.00 C ATOM 1233 C ALA A 79 -6.882 -7.619 -7.902 1.00 0.00 C ATOM 1234 O ALA A 79 -6.932 -8.848 -7.919 1.00 0.00 O ATOM 1235 CB ALA A 79 -4.698 -7.855 -6.702 1.00 0.00 C ATOM 0 H ALA A 79 -6.836 -5.381 -6.786 1.00 0.00 H new ATOM 0 HA ALA A 79 -5.074 -6.607 -8.411 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -4.495 -8.748 -7.292 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -3.759 -7.355 -6.465 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -5.201 -8.138 -5.777 1.00 0.00 H new ATOM 1241 N GLU A 80 -7.933 -6.854 -8.211 1.00 0.00 N ATOM 1242 CA GLU A 80 -9.205 -7.468 -8.581 1.00 0.00 C ATOM 1243 C GLU A 80 -9.280 -8.806 -7.880 1.00 0.00 C ATOM 1244 O GLU A 80 -9.726 -9.810 -8.434 1.00 0.00 O ATOM 1245 CB GLU A 80 -9.307 -7.650 -10.098 1.00 0.00 C ATOM 1246 CG GLU A 80 -9.628 -6.365 -10.846 1.00 0.00 C ATOM 1247 CD GLU A 80 -11.119 -6.164 -11.044 1.00 0.00 C ATOM 1248 OE1 GLU A 80 -11.792 -5.734 -10.084 1.00 0.00 O ATOM 1249 OE2 GLU A 80 -11.611 -6.435 -12.158 1.00 0.00 O ATOM 0 H GLU A 80 -7.928 -5.834 -8.212 1.00 0.00 H new ATOM 0 HA GLU A 80 -10.034 -6.828 -8.280 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -8.365 -8.052 -10.471 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -10.078 -8.389 -10.316 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -9.220 -5.517 -10.296 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -9.135 -6.381 -11.818 1.00 0.00 H new ATOM 1256 N LYS A 81 -8.771 -8.793 -6.659 1.00 0.00 N ATOM 1257 CA LYS A 81 -8.684 -9.973 -5.832 1.00 0.00 C ATOM 1258 C LYS A 81 -9.449 -9.790 -4.521 1.00 0.00 C ATOM 1259 O LYS A 81 -10.464 -10.447 -4.288 1.00 0.00 O ATOM 1260 CB LYS A 81 -7.201 -10.228 -5.589 1.00 0.00 C ATOM 1261 CG LYS A 81 -6.720 -9.856 -4.209 1.00 0.00 C ATOM 1262 CD LYS A 81 -6.153 -8.441 -4.196 1.00 0.00 C ATOM 1263 CE LYS A 81 -4.679 -8.437 -3.836 1.00 0.00 C ATOM 1264 NZ LYS A 81 -3.960 -9.591 -4.439 1.00 0.00 N ATOM 0 H LYS A 81 -8.404 -7.951 -6.215 1.00 0.00 H new ATOM 0 HA LYS A 81 -9.143 -10.830 -6.326 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -6.994 -11.285 -5.759 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -6.624 -9.668 -6.324 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -7.545 -9.929 -3.500 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -5.956 -10.562 -3.883 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -6.291 -7.983 -5.176 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -6.705 -7.833 -3.480 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -4.224 -7.507 -4.177 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -4.570 -8.467 -2.752 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -3.021 -9.284 -4.763 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -3.852 -10.343 -3.728 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -4.504 -9.955 -5.248 1.00 0.00 H new ATOM 1278 N TYR A 82 -8.977 -8.871 -3.684 1.00 0.00 N ATOM 1279 CA TYR A 82 -9.636 -8.576 -2.418 1.00 0.00 C ATOM 1280 C TYR A 82 -10.359 -7.251 -2.549 1.00 0.00 C ATOM 1281 O TYR A 82 -10.338 -6.632 -3.608 1.00 0.00 O ATOM 1282 CB TYR A 82 -8.637 -8.478 -1.255 1.00 0.00 C ATOM 1283 CG TYR A 82 -7.719 -9.670 -1.099 1.00 0.00 C ATOM 1284 CD1 TYR A 82 -6.525 -9.731 -1.792 1.00 0.00 C ATOM 1285 CD2 TYR A 82 -8.043 -10.724 -0.256 1.00 0.00 C ATOM 1286 CE1 TYR A 82 -5.672 -10.804 -1.663 1.00 0.00 C ATOM 1287 CE2 TYR A 82 -7.195 -11.807 -0.114 1.00 0.00 C ATOM 1288 CZ TYR A 82 -6.010 -11.842 -0.820 1.00 0.00 C ATOM 1289 OH TYR A 82 -5.164 -12.919 -0.687 1.00 0.00 O ATOM 0 H TYR A 82 -8.139 -8.317 -3.861 1.00 0.00 H new ATOM 0 HA TYR A 82 -10.327 -9.390 -2.199 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -8.028 -7.585 -1.393 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -9.194 -8.343 -0.328 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -6.255 -8.918 -2.450 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -8.970 -10.698 0.297 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -4.746 -10.833 -2.217 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -7.459 -12.621 0.546 1.00 0.00 H new ATOM 0 HH TYR A 82 -4.644 -12.826 0.138 1.00 0.00 H new ATOM 1299 N VAL A 83 -10.973 -6.805 -1.469 1.00 0.00 N ATOM 1300 CA VAL A 83 -11.667 -5.531 -1.470 1.00 0.00 C ATOM 1301 C VAL A 83 -12.050 -5.127 -0.058 1.00 0.00 C ATOM 1302 O VAL A 83 -12.332 -5.977 0.785 1.00 0.00 O ATOM 1303 CB VAL A 83 -12.919 -5.537 -2.361 1.00 0.00 C ATOM 1304 CG1 VAL A 83 -13.176 -4.136 -2.891 1.00 0.00 C ATOM 1305 CG2 VAL A 83 -12.769 -6.530 -3.505 1.00 0.00 C ATOM 0 H VAL A 83 -11.005 -7.305 -0.581 1.00 0.00 H new ATOM 0 HA VAL A 83 -10.971 -4.803 -1.885 1.00 0.00 H new ATOM 0 HB VAL A 83 -13.774 -5.851 -1.763 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -14.064 -4.143 -3.523 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -13.330 -3.453 -2.055 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -12.318 -3.805 -3.476 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -13.669 -6.515 -4.120 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -11.908 -6.256 -4.114 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -12.623 -7.532 -3.101 1.00 0.00 H new ATOM 1315 N PHE A 84 -12.049 -3.827 0.202 1.00 0.00 N ATOM 1316 CA PHE A 84 -12.387 -3.332 1.524 1.00 0.00 C ATOM 1317 C PHE A 84 -12.958 -1.920 1.464 1.00 0.00 C ATOM 1318 O PHE A 84 -12.789 -1.209 0.475 1.00 0.00 O ATOM 1319 CB PHE A 84 -11.153 -3.388 2.421 1.00 0.00 C ATOM 1320 CG PHE A 84 -10.384 -4.671 2.264 1.00 0.00 C ATOM 1321 CD1 PHE A 84 -9.503 -4.843 1.205 1.00 0.00 C ATOM 1322 CD2 PHE A 84 -10.555 -5.709 3.164 1.00 0.00 C ATOM 1323 CE1 PHE A 84 -8.806 -6.028 1.052 1.00 0.00 C ATOM 1324 CE2 PHE A 84 -9.863 -6.896 3.014 1.00 0.00 C ATOM 1325 CZ PHE A 84 -8.988 -7.056 1.957 1.00 0.00 C ATOM 0 H PHE A 84 -11.820 -3.104 -0.480 1.00 0.00 H new ATOM 0 HA PHE A 84 -13.163 -3.971 1.946 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -10.500 -2.546 2.189 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -11.459 -3.276 3.461 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -9.360 -4.043 0.493 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -11.237 -5.590 3.993 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -8.121 -6.149 0.226 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -10.006 -7.698 3.723 1.00 0.00 H new ATOM 0 HZ PHE A 84 -8.447 -7.983 1.838 1.00 0.00 H new ATOM 1335 N ASP A 85 -13.650 -1.532 2.528 1.00 0.00 N ATOM 1336 CA ASP A 85 -14.270 -0.214 2.606 1.00 0.00 C ATOM 1337 C ASP A 85 -13.270 0.846 3.049 1.00 0.00 C ATOM 1338 O ASP A 85 -13.657 1.943 3.453 1.00 0.00 O ATOM 1339 CB ASP A 85 -15.456 -0.242 3.572 1.00 0.00 C ATOM 1340 CG ASP A 85 -16.729 -0.735 2.913 1.00 0.00 C ATOM 1341 OD1 ASP A 85 -16.668 -1.144 1.734 1.00 0.00 O ATOM 1342 OD2 ASP A 85 -17.787 -0.713 3.576 1.00 0.00 O ATOM 0 H ASP A 85 -13.797 -2.114 3.353 1.00 0.00 H new ATOM 0 HA ASP A 85 -14.622 0.046 1.608 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -15.216 -0.885 4.418 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -15.621 0.760 3.969 1.00 0.00 H new ATOM 1347 N SER A 86 -11.986 0.520 2.973 1.00 0.00 N ATOM 1348 CA SER A 86 -10.950 1.461 3.368 1.00 0.00 C ATOM 1349 C SER A 86 -9.559 0.852 3.232 1.00 0.00 C ATOM 1350 O SER A 86 -9.356 -0.348 3.453 1.00 0.00 O ATOM 1351 CB SER A 86 -11.174 1.928 4.805 1.00 0.00 C ATOM 1352 OG SER A 86 -10.944 3.321 4.930 1.00 0.00 O ATOM 0 H SER A 86 -11.641 -0.382 2.644 1.00 0.00 H new ATOM 0 HA SER A 86 -11.012 2.318 2.697 1.00 0.00 H new ATOM 0 HB2 SER A 86 -12.194 1.696 5.111 1.00 0.00 H new ATOM 0 HB3 SER A 86 -10.508 1.385 5.475 1.00 0.00 H new ATOM 0 HG SER A 86 -11.800 3.797 4.909 1.00 0.00 H new ATOM 1358 N ILE A 87 -8.603 1.695 2.873 1.00 0.00 N ATOM 1359 CA ILE A 87 -7.229 1.258 2.711 1.00 0.00 C ATOM 1360 C ILE A 87 -6.714 0.630 3.996 1.00 0.00 C ATOM 1361 O ILE A 87 -6.104 -0.431 3.970 1.00 0.00 O ATOM 1362 CB ILE A 87 -6.298 2.417 2.321 1.00 0.00 C ATOM 1363 CG1 ILE A 87 -6.238 2.575 0.804 1.00 0.00 C ATOM 1364 CG2 ILE A 87 -4.904 2.170 2.875 1.00 0.00 C ATOM 1365 CD1 ILE A 87 -7.592 2.638 0.126 1.00 0.00 C ATOM 0 H ILE A 87 -8.756 2.686 2.689 1.00 0.00 H new ATOM 0 HA ILE A 87 -7.226 0.523 1.906 1.00 0.00 H new ATOM 0 HB ILE A 87 -6.695 3.338 2.747 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -5.684 3.484 0.567 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -5.675 1.741 0.386 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -4.250 2.995 2.595 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -4.952 2.098 3.962 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -4.510 1.240 2.466 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -7.455 2.751 -0.950 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -8.143 1.719 0.328 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -8.153 3.489 0.512 1.00 0.00 H new ATOM 1377 N PRO A 88 -6.959 1.273 5.147 1.00 0.00 N ATOM 1378 CA PRO A 88 -6.511 0.748 6.435 1.00 0.00 C ATOM 1379 C PRO A 88 -6.964 -0.692 6.613 1.00 0.00 C ATOM 1380 O PRO A 88 -6.163 -1.572 6.932 1.00 0.00 O ATOM 1381 CB PRO A 88 -7.182 1.669 7.455 1.00 0.00 C ATOM 1382 CG PRO A 88 -7.443 2.936 6.712 1.00 0.00 C ATOM 1383 CD PRO A 88 -7.693 2.542 5.281 1.00 0.00 C ATOM 0 HA PRO A 88 -5.426 0.733 6.536 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -8.108 1.234 7.832 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -6.537 1.842 8.316 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -8.304 3.460 7.127 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -6.592 3.613 6.786 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -8.756 2.415 5.078 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -7.324 3.296 4.586 1.00 0.00 H new ATOM 1391 N LEU A 89 -8.243 -0.937 6.350 1.00 0.00 N ATOM 1392 CA LEU A 89 -8.780 -2.287 6.427 1.00 0.00 C ATOM 1393 C LEU A 89 -8.152 -3.102 5.311 1.00 0.00 C ATOM 1394 O LEU A 89 -7.580 -4.176 5.538 1.00 0.00 O ATOM 1395 CB LEU A 89 -10.310 -2.291 6.286 1.00 0.00 C ATOM 1396 CG LEU A 89 -10.918 -1.030 5.667 1.00 0.00 C ATOM 1397 CD1 LEU A 89 -12.081 -1.390 4.758 1.00 0.00 C ATOM 1398 CD2 LEU A 89 -11.364 -0.067 6.756 1.00 0.00 C ATOM 0 H LEU A 89 -8.921 -0.223 6.084 1.00 0.00 H new ATOM 0 HA LEU A 89 -8.544 -2.717 7.401 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -10.599 -3.149 5.679 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -10.748 -2.438 7.273 1.00 0.00 H new ATOM 0 HG LEU A 89 -10.155 -0.537 5.065 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -12.501 -0.481 4.327 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -11.730 -2.042 3.958 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -12.848 -1.905 5.336 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -11.794 0.825 6.300 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -12.112 -0.550 7.385 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -10.506 0.216 7.366 1.00 0.00 H new ATOM 1410 N LEU A 90 -8.233 -2.553 4.101 1.00 0.00 N ATOM 1411 CA LEU A 90 -7.645 -3.192 2.938 1.00 0.00 C ATOM 1412 C LEU A 90 -6.159 -3.428 3.190 1.00 0.00 C ATOM 1413 O LEU A 90 -5.592 -4.430 2.758 1.00 0.00 O ATOM 1414 CB LEU A 90 -7.854 -2.318 1.703 1.00 0.00 C ATOM 1415 CG LEU A 90 -7.232 -2.857 0.415 1.00 0.00 C ATOM 1416 CD1 LEU A 90 -8.070 -2.451 -0.785 1.00 0.00 C ATOM 1417 CD2 LEU A 90 -5.803 -2.359 0.264 1.00 0.00 C ATOM 0 H LEU A 90 -8.701 -1.668 3.906 1.00 0.00 H new ATOM 0 HA LEU A 90 -8.129 -4.153 2.761 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -8.925 -2.189 1.545 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -7.440 -1.330 1.902 1.00 0.00 H new ATOM 0 HG LEU A 90 -7.210 -3.945 0.469 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -7.615 -2.842 -1.695 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -9.077 -2.856 -0.680 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -8.120 -1.364 -0.842 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -5.376 -2.753 -0.658 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -5.799 -1.270 0.230 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -5.208 -2.697 1.112 1.00 0.00 H new ATOM 1429 N ILE A 91 -5.545 -2.509 3.931 1.00 0.00 N ATOM 1430 CA ILE A 91 -4.139 -2.629 4.288 1.00 0.00 C ATOM 1431 C ILE A 91 -4.015 -3.622 5.428 1.00 0.00 C ATOM 1432 O ILE A 91 -3.142 -4.488 5.428 1.00 0.00 O ATOM 1433 CB ILE A 91 -3.527 -1.276 4.719 1.00 0.00 C ATOM 1434 CG1 ILE A 91 -3.617 -0.262 3.581 1.00 0.00 C ATOM 1435 CG2 ILE A 91 -2.074 -1.457 5.140 1.00 0.00 C ATOM 1436 CD1 ILE A 91 -2.994 -0.755 2.300 1.00 0.00 C ATOM 0 H ILE A 91 -6.002 -1.673 4.295 1.00 0.00 H new ATOM 0 HA ILE A 91 -3.592 -2.968 3.408 1.00 0.00 H new ATOM 0 HB ILE A 91 -4.095 -0.901 5.570 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -4.664 -0.020 3.399 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -3.125 0.662 3.885 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -1.660 -0.495 5.440 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -2.022 -2.152 5.978 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -1.500 -1.854 4.303 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -3.090 0.011 1.530 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -1.939 -0.970 2.468 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -3.502 -1.663 1.974 1.00 0.00 H new ATOM 1448 N GLN A 92 -4.933 -3.507 6.386 1.00 0.00 N ATOM 1449 CA GLN A 92 -4.966 -4.412 7.522 1.00 0.00 C ATOM 1450 C GLN A 92 -5.088 -5.838 7.025 1.00 0.00 C ATOM 1451 O GLN A 92 -4.421 -6.740 7.531 1.00 0.00 O ATOM 1452 CB GLN A 92 -6.132 -4.067 8.449 1.00 0.00 C ATOM 1453 CG GLN A 92 -5.838 -2.909 9.389 1.00 0.00 C ATOM 1454 CD GLN A 92 -4.357 -2.755 9.678 1.00 0.00 C ATOM 1455 OE1 GLN A 92 -3.585 -2.423 8.650 1.00 0.00 O flip ATOM 1456 NE2 GLN A 92 -3.912 -2.931 10.812 1.00 0.00 N flip ATOM 0 H GLN A 92 -5.662 -2.794 6.394 1.00 0.00 H new ATOM 0 HA GLN A 92 -4.041 -4.308 8.090 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -7.005 -3.821 7.845 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -6.389 -4.947 9.039 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -6.217 -1.985 8.952 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -6.374 -3.061 10.326 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -4.542 -3.185 11.573 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -2.914 -2.823 10.991 1.00 0.00 H new ATOM 1465 N TYR A 93 -5.924 -6.040 6.010 1.00 0.00 N ATOM 1466 CA TYR A 93 -6.084 -7.368 5.450 1.00 0.00 C ATOM 1467 C TYR A 93 -4.749 -7.837 4.890 1.00 0.00 C ATOM 1468 O TYR A 93 -4.298 -8.941 5.184 1.00 0.00 O ATOM 1469 CB TYR A 93 -7.159 -7.393 4.362 1.00 0.00 C ATOM 1470 CG TYR A 93 -6.611 -7.684 2.985 1.00 0.00 C ATOM 1471 CD1 TYR A 93 -6.200 -8.963 2.626 1.00 0.00 C ATOM 1472 CD2 TYR A 93 -6.496 -6.672 2.046 1.00 0.00 C ATOM 1473 CE1 TYR A 93 -5.688 -9.219 1.370 1.00 0.00 C ATOM 1474 CE2 TYR A 93 -5.990 -6.921 0.788 1.00 0.00 C ATOM 1475 CZ TYR A 93 -5.586 -8.194 0.455 1.00 0.00 C ATOM 1476 OH TYR A 93 -5.073 -8.442 -0.795 1.00 0.00 O ATOM 0 H TYR A 93 -6.489 -5.314 5.569 1.00 0.00 H new ATOM 0 HA TYR A 93 -6.409 -8.043 6.241 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -7.904 -8.147 4.615 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -7.671 -6.431 4.345 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -6.283 -9.768 3.341 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -6.808 -5.671 2.304 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -5.369 -10.217 1.106 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -5.911 -6.121 0.067 1.00 0.00 H new ATOM 0 HH TYR A 93 -5.604 -9.139 -1.234 1.00 0.00 H new ATOM 1486 N HIS A 94 -4.090 -6.982 4.113 1.00 0.00 N ATOM 1487 CA HIS A 94 -2.789 -7.336 3.574 1.00 0.00 C ATOM 1488 C HIS A 94 -1.801 -7.486 4.719 1.00 0.00 C ATOM 1489 O HIS A 94 -1.040 -8.451 4.788 1.00 0.00 O ATOM 1490 CB HIS A 94 -2.273 -6.259 2.625 1.00 0.00 C ATOM 1491 CG HIS A 94 -3.077 -6.063 1.382 1.00 0.00 C ATOM 1492 ND1 HIS A 94 -3.870 -5.035 0.997 1.00 0.00 N flip ATOM 1493 CD2 HIS A 94 -3.085 -6.961 0.339 1.00 0.00 C flip ATOM 1494 CE1 HIS A 94 -4.331 -5.327 -0.260 1.00 0.00 C flip ATOM 1495 NE2 HIS A 94 -3.844 -6.494 -0.634 1.00 0.00 N flip ATOM 0 H HIS A 94 -4.430 -6.058 3.849 1.00 0.00 H new ATOM 0 HA HIS A 94 -2.890 -8.271 3.022 1.00 0.00 H new ATOM 0 HB2 HIS A 94 -2.232 -5.313 3.164 1.00 0.00 H new ATOM 0 HB3 HIS A 94 -1.251 -6.508 2.341 1.00 0.00 H new ATOM 0 HD1 HIS A 94 -4.084 -4.199 1.541 1.00 0.00 H new ATOM 0 HD2 HIS A 94 -2.553 -7.901 0.320 1.00 0.00 H new ATOM 0 HE1 HIS A 94 -4.987 -4.703 -0.849 1.00 0.00 H new ATOM 0 HE2 HIS A 94 -4.024 -6.957 -1.525 1.00 0.00 H new ATOM 1504 N GLN A 95 -1.825 -6.503 5.615 1.00 0.00 N ATOM 1505 CA GLN A 95 -0.940 -6.480 6.770 1.00 0.00 C ATOM 1506 C GLN A 95 -1.043 -7.766 7.583 1.00 0.00 C ATOM 1507 O GLN A 95 -0.030 -8.366 7.944 1.00 0.00 O ATOM 1508 CB GLN A 95 -1.288 -5.297 7.674 1.00 0.00 C ATOM 1509 CG GLN A 95 -1.058 -3.942 7.029 1.00 0.00 C ATOM 1510 CD GLN A 95 0.410 -3.610 6.873 1.00 0.00 C ATOM 1511 OE1 GLN A 95 0.700 -2.592 6.072 1.00 0.00 O flip ATOM 1512 NE2 GLN A 95 1.274 -4.260 7.463 1.00 0.00 N flip ATOM 0 H GLN A 95 -2.457 -5.704 5.559 1.00 0.00 H new ATOM 0 HA GLN A 95 0.080 -6.384 6.397 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -2.334 -5.374 7.971 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -0.693 -5.361 8.585 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -1.536 -3.925 6.050 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -1.538 -3.171 7.632 1.00 0.00 H new ATOM 0 HE21 GLN A 95 1.004 -5.035 8.069 1.00 0.00 H new ATOM 0 HE22 GLN A 95 2.259 -4.023 7.346 1.00 0.00 H new ATOM 1521 N TYR A 96 -2.273 -8.169 7.900 1.00 0.00 N ATOM 1522 CA TYR A 96 -2.498 -9.359 8.701 1.00 0.00 C ATOM 1523 C TYR A 96 -3.133 -10.496 7.910 1.00 0.00 C ATOM 1524 O TYR A 96 -3.463 -11.538 8.476 1.00 0.00 O ATOM 1525 CB TYR A 96 -3.370 -9.017 9.899 1.00 0.00 C ATOM 1526 CG TYR A 96 -4.826 -9.138 9.612 1.00 0.00 C ATOM 1527 CD1 TYR A 96 -5.278 -9.066 8.319 1.00 0.00 C ATOM 1528 CD2 TYR A 96 -5.736 -9.331 10.628 1.00 0.00 C ATOM 1529 CE1 TYR A 96 -6.621 -9.185 8.029 1.00 0.00 C ATOM 1530 CE2 TYR A 96 -7.084 -9.450 10.361 1.00 0.00 C ATOM 1531 CZ TYR A 96 -7.524 -9.378 9.055 1.00 0.00 C ATOM 1532 OH TYR A 96 -8.866 -9.498 8.776 1.00 0.00 O ATOM 0 H TYR A 96 -3.124 -7.686 7.612 1.00 0.00 H new ATOM 0 HA TYR A 96 -1.520 -9.708 9.032 1.00 0.00 H new ATOM 0 HB2 TYR A 96 -3.113 -9.676 10.729 1.00 0.00 H new ATOM 0 HB3 TYR A 96 -3.152 -7.999 10.221 1.00 0.00 H new ATOM 0 HD1 TYR A 96 -4.572 -8.914 7.516 1.00 0.00 H new ATOM 0 HD2 TYR A 96 -5.389 -9.390 11.649 1.00 0.00 H new ATOM 0 HE1 TYR A 96 -6.964 -9.128 7.006 1.00 0.00 H new ATOM 0 HE2 TYR A 96 -7.788 -9.598 11.166 1.00 0.00 H new ATOM 0 HH TYR A 96 -9.363 -9.630 9.610 1.00 0.00 H new ATOM 1542 N ASN A 97 -3.299 -10.312 6.609 1.00 0.00 N ATOM 1543 CA ASN A 97 -3.889 -11.355 5.783 1.00 0.00 C ATOM 1544 C ASN A 97 -3.041 -11.615 4.542 1.00 0.00 C ATOM 1545 O ASN A 97 -2.293 -10.746 4.094 1.00 0.00 O ATOM 1546 CB ASN A 97 -5.321 -10.990 5.381 1.00 0.00 C ATOM 1547 CG ASN A 97 -6.334 -11.997 5.888 1.00 0.00 C ATOM 1548 OD1 ASN A 97 -6.963 -12.711 5.106 1.00 0.00 O ATOM 1549 ND2 ASN A 97 -6.496 -12.059 7.204 1.00 0.00 N ATOM 0 H ASN A 97 -3.038 -9.463 6.108 1.00 0.00 H new ATOM 0 HA ASN A 97 -3.920 -12.269 6.376 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -5.566 -10.003 5.773 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -5.386 -10.927 4.295 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -7.163 -12.718 7.605 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -5.953 -11.448 7.814 1.00 0.00 H new ATOM 1556 N GLY A 98 -3.152 -12.824 4.000 1.00 0.00 N ATOM 1557 CA GLY A 98 -2.381 -13.186 2.824 1.00 0.00 C ATOM 1558 C GLY A 98 -2.879 -12.517 1.556 1.00 0.00 C ATOM 1559 O GLY A 98 -3.605 -13.126 0.772 1.00 0.00 O ATOM 0 H GLY A 98 -3.763 -13.560 4.355 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -1.337 -12.916 2.984 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -2.414 -14.268 2.694 1.00 0.00 H new ATOM 1563 N GLY A 99 -2.478 -11.267 1.350 1.00 0.00 N ATOM 1564 CA GLY A 99 -2.889 -10.543 0.160 1.00 0.00 C ATOM 1565 C GLY A 99 -2.021 -10.879 -1.039 1.00 0.00 C ATOM 1566 O GLY A 99 -1.101 -11.690 -0.936 1.00 0.00 O ATOM 0 H GLY A 99 -1.876 -10.742 1.985 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -3.928 -10.780 -0.067 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -2.841 -9.471 0.353 1.00 0.00 H new ATOM 1570 N GLY A 100 -2.311 -10.259 -2.178 1.00 0.00 N ATOM 1571 CA GLY A 100 -1.535 -10.517 -3.378 1.00 0.00 C ATOM 1572 C GLY A 100 -0.554 -9.403 -3.684 1.00 0.00 C ATOM 1573 O GLY A 100 -0.499 -8.906 -4.809 1.00 0.00 O ATOM 0 H GLY A 100 -3.067 -9.584 -2.292 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -0.991 -11.454 -3.261 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -2.211 -10.644 -4.224 1.00 0.00 H new ATOM 1577 N LEU A 101 0.223 -9.013 -2.680 1.00 0.00 N ATOM 1578 CA LEU A 101 1.210 -7.951 -2.840 1.00 0.00 C ATOM 1579 C LEU A 101 2.621 -8.489 -2.615 1.00 0.00 C ATOM 1580 O LEU A 101 2.803 -9.673 -2.332 1.00 0.00 O ATOM 1581 CB LEU A 101 0.922 -6.813 -1.860 1.00 0.00 C ATOM 1582 CG LEU A 101 -0.083 -5.769 -2.349 1.00 0.00 C ATOM 1583 CD1 LEU A 101 -1.332 -6.442 -2.898 1.00 0.00 C ATOM 1584 CD2 LEU A 101 -0.439 -4.815 -1.219 1.00 0.00 C ATOM 0 H LEU A 101 0.188 -9.417 -1.744 1.00 0.00 H new ATOM 0 HA LEU A 101 1.143 -7.569 -3.859 1.00 0.00 H new ATOM 0 HB2 LEU A 101 0.551 -7.242 -0.929 1.00 0.00 H new ATOM 0 HB3 LEU A 101 1.860 -6.309 -1.628 1.00 0.00 H new ATOM 0 HG LEU A 101 0.375 -5.197 -3.156 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -2.034 -5.682 -3.241 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -1.060 -7.088 -3.733 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -1.798 -7.039 -2.114 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -1.155 -4.076 -1.579 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -0.879 -5.376 -0.395 1.00 0.00 H new ATOM 0 HD23 LEU A 101 0.462 -4.309 -0.873 1.00 0.00 H new ATOM 1596 N VAL A 102 3.615 -7.614 -2.736 1.00 0.00 N ATOM 1597 CA VAL A 102 5.005 -8.014 -2.537 1.00 0.00 C ATOM 1598 C VAL A 102 5.134 -8.946 -1.342 1.00 0.00 C ATOM 1599 O VAL A 102 5.927 -9.888 -1.356 1.00 0.00 O ATOM 1600 CB VAL A 102 5.920 -6.797 -2.313 1.00 0.00 C ATOM 1601 CG1 VAL A 102 5.741 -5.780 -3.428 1.00 0.00 C ATOM 1602 CG2 VAL A 102 5.650 -6.167 -0.951 1.00 0.00 C ATOM 0 H VAL A 102 3.486 -6.629 -2.969 1.00 0.00 H new ATOM 0 HA VAL A 102 5.316 -8.530 -3.445 1.00 0.00 H new ATOM 0 HB VAL A 102 6.956 -7.137 -2.329 1.00 0.00 H new ATOM 0 HG11 VAL A 102 6.396 -4.927 -3.251 1.00 0.00 H new ATOM 0 HG12 VAL A 102 5.993 -6.240 -4.384 1.00 0.00 H new ATOM 0 HG13 VAL A 102 4.705 -5.443 -3.450 1.00 0.00 H new ATOM 0 HG21 VAL A 102 6.306 -5.308 -0.811 1.00 0.00 H new ATOM 0 HG22 VAL A 102 4.611 -5.842 -0.900 1.00 0.00 H new ATOM 0 HG23 VAL A 102 5.839 -6.900 -0.167 1.00 0.00 H new ATOM 1612 N THR A 103 4.348 -8.674 -0.310 1.00 0.00 N ATOM 1613 CA THR A 103 4.367 -9.482 0.901 1.00 0.00 C ATOM 1614 C THR A 103 3.171 -9.148 1.782 1.00 0.00 C ATOM 1615 O THR A 103 3.313 -8.924 2.984 1.00 0.00 O ATOM 1616 CB THR A 103 5.666 -9.252 1.673 1.00 0.00 C ATOM 1617 OG1 THR A 103 5.706 -7.941 2.208 1.00 0.00 O ATOM 1618 CG2 THR A 103 6.907 -9.440 0.826 1.00 0.00 C ATOM 0 H THR A 103 3.687 -7.897 -0.287 1.00 0.00 H new ATOM 0 HA THR A 103 4.309 -10.532 0.615 1.00 0.00 H new ATOM 0 HB THR A 103 5.668 -10.002 2.464 1.00 0.00 H new ATOM 0 HG1 THR A 103 5.053 -7.378 1.743 1.00 0.00 H new ATOM 0 HG21 THR A 103 7.793 -9.262 1.435 1.00 0.00 H new ATOM 0 HG22 THR A 103 6.932 -10.458 0.438 1.00 0.00 H new ATOM 0 HG23 THR A 103 6.890 -8.735 -0.005 1.00 0.00 H new ATOM 1626 N ARG A 104 1.990 -9.111 1.172 1.00 0.00 N ATOM 1627 CA ARG A 104 0.767 -8.801 1.896 1.00 0.00 C ATOM 1628 C ARG A 104 1.035 -7.784 2.999 1.00 0.00 C ATOM 1629 O ARG A 104 0.961 -8.108 4.183 1.00 0.00 O ATOM 1630 CB ARG A 104 0.167 -10.075 2.495 1.00 0.00 C ATOM 1631 CG ARG A 104 1.156 -10.890 3.312 1.00 0.00 C ATOM 1632 CD ARG A 104 0.633 -11.163 4.713 1.00 0.00 C ATOM 1633 NE ARG A 104 1.519 -12.048 5.465 1.00 0.00 N ATOM 1634 CZ ARG A 104 2.023 -11.749 6.659 1.00 0.00 C ATOM 1635 NH1 ARG A 104 1.735 -10.590 7.236 1.00 0.00 N ATOM 1636 NH2 ARG A 104 2.819 -12.611 7.278 1.00 0.00 N ATOM 0 H ARG A 104 1.857 -9.292 0.177 1.00 0.00 H new ATOM 0 HA ARG A 104 0.055 -8.370 1.192 1.00 0.00 H new ATOM 0 HB2 ARG A 104 -0.678 -9.805 3.128 1.00 0.00 H new ATOM 0 HB3 ARG A 104 -0.224 -10.696 1.689 1.00 0.00 H new ATOM 0 HG2 ARG A 104 1.355 -11.835 2.807 1.00 0.00 H new ATOM 0 HG3 ARG A 104 2.104 -10.356 3.375 1.00 0.00 H new ATOM 0 HD2 ARG A 104 0.522 -10.220 5.249 1.00 0.00 H new ATOM 0 HD3 ARG A 104 -0.358 -11.612 4.649 1.00 0.00 H new ATOM 0 HE ARG A 104 1.765 -12.947 5.051 1.00 0.00 H new ATOM 0 HH11 ARG A 104 1.124 -9.923 6.764 1.00 0.00 H new ATOM 0 HH12 ARG A 104 2.124 -10.366 8.152 1.00 0.00 H new ATOM 0 HH21 ARG A 104 3.045 -13.503 6.838 1.00 0.00 H new ATOM 0 HH22 ARG A 104 3.205 -12.381 8.194 1.00 0.00 H new ATOM 1650 N LEU A 105 1.350 -6.553 2.605 1.00 0.00 N ATOM 1651 CA LEU A 105 1.628 -5.501 3.573 1.00 0.00 C ATOM 1652 C LEU A 105 2.461 -6.053 4.720 1.00 0.00 C ATOM 1653 O LEU A 105 1.931 -6.390 5.779 1.00 0.00 O ATOM 1654 CB LEU A 105 0.326 -4.919 4.112 1.00 0.00 C ATOM 1655 CG LEU A 105 -0.487 -4.116 3.107 1.00 0.00 C ATOM 1656 CD1 LEU A 105 0.053 -2.723 3.057 1.00 0.00 C ATOM 1657 CD2 LEU A 105 -0.440 -4.735 1.721 1.00 0.00 C ATOM 0 H LEU A 105 1.418 -6.263 1.630 1.00 0.00 H new ATOM 0 HA LEU A 105 2.188 -4.709 3.075 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -0.292 -5.736 4.486 1.00 0.00 H new ATOM 0 HB3 LEU A 105 0.557 -4.279 4.963 1.00 0.00 H new ATOM 0 HG LEU A 105 -1.529 -4.112 3.428 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -0.521 -2.136 2.340 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -0.024 -2.267 4.044 1.00 0.00 H new ATOM 0 HD13 LEU A 105 1.099 -2.749 2.750 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -1.033 -4.132 1.033 1.00 0.00 H new ATOM 0 HD22 LEU A 105 0.593 -4.772 1.374 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -0.846 -5.746 1.760 1.00 0.00 H new ATOM 1669 N ARG A 106 3.765 -6.164 4.498 1.00 0.00 N ATOM 1670 CA ARG A 106 4.659 -6.703 5.515 1.00 0.00 C ATOM 1671 C ARG A 106 5.059 -5.650 6.544 1.00 0.00 C ATOM 1672 O ARG A 106 5.293 -5.976 7.709 1.00 0.00 O ATOM 1673 CB ARG A 106 5.910 -7.298 4.874 1.00 0.00 C ATOM 1674 CG ARG A 106 6.980 -7.673 5.886 1.00 0.00 C ATOM 1675 CD ARG A 106 7.477 -9.095 5.677 1.00 0.00 C ATOM 1676 NE ARG A 106 7.796 -9.752 6.941 1.00 0.00 N ATOM 1677 CZ ARG A 106 8.664 -9.268 7.824 1.00 0.00 C ATOM 1678 NH1 ARG A 106 9.297 -8.130 7.578 1.00 0.00 N ATOM 1679 NH2 ARG A 106 8.899 -9.923 8.953 1.00 0.00 N ATOM 0 H ARG A 106 4.224 -5.890 3.629 1.00 0.00 H new ATOM 0 HA ARG A 106 4.110 -7.488 6.035 1.00 0.00 H new ATOM 0 HB2 ARG A 106 5.632 -8.184 4.304 1.00 0.00 H new ATOM 0 HB3 ARG A 106 6.324 -6.580 4.166 1.00 0.00 H new ATOM 0 HG2 ARG A 106 7.817 -6.979 5.805 1.00 0.00 H new ATOM 0 HG3 ARG A 106 6.579 -7.572 6.894 1.00 0.00 H new ATOM 0 HD2 ARG A 106 6.717 -9.671 5.150 1.00 0.00 H new ATOM 0 HD3 ARG A 106 8.363 -9.080 5.042 1.00 0.00 H new ATOM 0 HE ARG A 106 7.327 -10.631 7.159 1.00 0.00 H new ATOM 0 HH11 ARG A 106 9.118 -7.624 6.710 1.00 0.00 H new ATOM 0 HH12 ARG A 106 9.963 -7.760 8.256 1.00 0.00 H new ATOM 0 HH21 ARG A 106 8.414 -10.799 9.145 1.00 0.00 H new ATOM 0 HH22 ARG A 106 9.565 -9.550 9.630 1.00 0.00 H new ATOM 1693 N TYR A 107 5.145 -4.390 6.126 1.00 0.00 N ATOM 1694 CA TYR A 107 5.526 -3.326 7.050 1.00 0.00 C ATOM 1695 C TYR A 107 5.260 -1.943 6.478 1.00 0.00 C ATOM 1696 O TYR A 107 6.073 -1.409 5.724 1.00 0.00 O ATOM 1697 CB TYR A 107 7.007 -3.430 7.416 1.00 0.00 C ATOM 1698 CG TYR A 107 7.428 -2.409 8.450 1.00 0.00 C ATOM 1699 CD1 TYR A 107 7.001 -2.525 9.766 1.00 0.00 C ATOM 1700 CD2 TYR A 107 8.237 -1.323 8.114 1.00 0.00 C ATOM 1701 CE1 TYR A 107 7.366 -1.596 10.719 1.00 0.00 C ATOM 1702 CE2 TYR A 107 8.603 -0.391 9.066 1.00 0.00 C ATOM 1703 CZ TYR A 107 8.165 -0.532 10.365 1.00 0.00 C ATOM 1704 OH TYR A 107 8.529 0.396 11.314 1.00 0.00 O ATOM 0 H TYR A 107 4.960 -4.084 5.171 1.00 0.00 H new ATOM 0 HA TYR A 107 4.910 -3.457 7.940 1.00 0.00 H new ATOM 0 HB2 TYR A 107 7.214 -4.431 7.795 1.00 0.00 H new ATOM 0 HB3 TYR A 107 7.609 -3.299 6.517 1.00 0.00 H new ATOM 0 HD1 TYR A 107 6.372 -3.356 10.049 1.00 0.00 H new ATOM 0 HD2 TYR A 107 8.582 -1.209 7.097 1.00 0.00 H new ATOM 0 HE1 TYR A 107 7.026 -1.703 11.739 1.00 0.00 H new ATOM 0 HE2 TYR A 107 9.230 0.445 8.793 1.00 0.00 H new ATOM 0 HH TYR A 107 9.094 1.082 10.901 1.00 0.00 H new ATOM 1714 N PRO A 108 4.129 -1.330 6.844 1.00 0.00 N ATOM 1715 CA PRO A 108 3.785 0.006 6.379 1.00 0.00 C ATOM 1716 C PRO A 108 4.940 0.980 6.582 1.00 0.00 C ATOM 1717 O PRO A 108 5.311 1.289 7.714 1.00 0.00 O ATOM 1718 CB PRO A 108 2.586 0.408 7.249 1.00 0.00 C ATOM 1719 CG PRO A 108 2.478 -0.635 8.312 1.00 0.00 C ATOM 1720 CD PRO A 108 3.108 -1.873 7.746 1.00 0.00 C ATOM 0 HA PRO A 108 3.562 0.024 5.312 1.00 0.00 H new ATOM 0 HB2 PRO A 108 2.735 1.396 7.686 1.00 0.00 H new ATOM 0 HB3 PRO A 108 1.673 0.456 6.656 1.00 0.00 H new ATOM 0 HG2 PRO A 108 2.989 -0.319 9.221 1.00 0.00 H new ATOM 0 HG3 PRO A 108 1.436 -0.814 8.577 1.00 0.00 H new ATOM 0 HD2 PRO A 108 3.546 -2.497 8.525 1.00 0.00 H new ATOM 0 HD3 PRO A 108 2.383 -2.489 7.214 1.00 0.00 H new ATOM 1728 N VAL A 109 5.508 1.464 5.484 1.00 0.00 N ATOM 1729 CA VAL A 109 6.612 2.397 5.542 1.00 0.00 C ATOM 1730 C VAL A 109 6.103 3.818 5.415 1.00 0.00 C ATOM 1731 O VAL A 109 5.542 4.191 4.386 1.00 0.00 O ATOM 1732 CB VAL A 109 7.617 2.137 4.411 1.00 0.00 C ATOM 1733 CG1 VAL A 109 7.452 3.183 3.319 1.00 0.00 C ATOM 1734 CG2 VAL A 109 9.039 2.122 4.952 1.00 0.00 C ATOM 0 H VAL A 109 5.215 1.219 4.538 1.00 0.00 H new ATOM 0 HA VAL A 109 7.108 2.259 6.503 1.00 0.00 H new ATOM 0 HB VAL A 109 7.419 1.157 3.978 1.00 0.00 H new ATOM 0 HG11 VAL A 109 8.169 2.991 2.520 1.00 0.00 H new ATOM 0 HG12 VAL A 109 6.440 3.134 2.918 1.00 0.00 H new ATOM 0 HG13 VAL A 109 7.629 4.175 3.735 1.00 0.00 H new ATOM 0 HG21 VAL A 109 9.737 1.936 4.136 1.00 0.00 H new ATOM 0 HG22 VAL A 109 9.264 3.085 5.410 1.00 0.00 H new ATOM 0 HG23 VAL A 109 9.136 1.334 5.699 1.00 0.00 H new ATOM 1744 N CYS A 110 6.296 4.613 6.452 1.00 0.00 N ATOM 1745 CA CYS A 110 5.845 5.989 6.422 1.00 0.00 C ATOM 1746 C CYS A 110 7.010 6.936 6.663 1.00 0.00 C ATOM 1747 O CYS A 110 7.289 7.335 7.794 1.00 0.00 O ATOM 1748 CB CYS A 110 4.734 6.205 7.450 1.00 0.00 C ATOM 1749 SG CYS A 110 4.906 7.712 8.436 1.00 0.00 S ATOM 0 H CYS A 110 6.758 4.332 7.317 1.00 0.00 H new ATOM 0 HA CYS A 110 5.438 6.205 5.434 1.00 0.00 H new ATOM 0 HB2 CYS A 110 3.776 6.233 6.930 1.00 0.00 H new ATOM 0 HB3 CYS A 110 4.707 5.347 8.122 1.00 0.00 H new ATOM 0 HG CYS A 110 6.139 7.835 8.829 1.00 0.00 H new ATOM 1755 N GLY A 111 7.690 7.282 5.578 1.00 0.00 N ATOM 1756 CA GLY A 111 8.828 8.178 5.665 1.00 0.00 C ATOM 1757 C GLY A 111 8.498 9.582 5.199 1.00 0.00 C ATOM 1758 O GLY A 111 9.289 10.506 5.387 1.00 0.00 O ATOM 0 H GLY A 111 7.473 6.957 4.636 1.00 0.00 H new ATOM 0 HA2 GLY A 111 9.180 8.214 6.696 1.00 0.00 H new ATOM 0 HA3 GLY A 111 9.645 7.781 5.063 1.00 0.00 H new HETATM 1762 N NH2 A 112 7.332 9.752 4.587 1.00 0.00 N TER 1765 NH2 A 112