USER MOD reduce.3.24.130724 H: found=0, std=0, add=877, rem=0, adj=39 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 28 THR OG1 : rot 91:sc= -7.86! USER MOD Set 1.2: A 30 LYS NZ :NH3+ -126:sc= -1.43! (180deg=-2.02!) USER MOD Set 1.3: A 107 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 92 GLN : amide:sc= -10.7! C(o=-11!,f=-11!) USER MOD Set 2.2: A 95 GLN :FLIP amide:sc= -0.142 F(o=-12,f=-11) USER MOD Set 3.1: A 81 LYS NZ :NH3+ -130:sc= -6.93! (180deg=-16.6!) USER MOD Set 3.2: A 93 TYR OH : rot 78:sc= -6.08! USER MOD Set 3.3: A 94 HIS : no HE2:sc= -29! C(o=-42!,f=-46!) USER MOD Set 4.1: A 69 THR OG1 : rot -114:sc= 0.329! USER MOD Set 4.2: A 70 ASN : amide:sc= -0.608 K(o=-0.28,f=-7.1!) USER MOD Set 5.1: A 44 THR OG1 : rot 63:sc= -2.45! USER MOD Set 5.2: A 46 THR OG1 : rot 66:sc= -2.53! USER MOD Set 5.3: A 65 HIS : no HE2:sc= -14.3! C(o=-19!,f=-26!) USER MOD Set 6.1: A 48 SER OG : rot 130:sc= -3.27! USER MOD Set 6.2: A 63 HIS : no HD1:sc= -4.94! C(o=-8.2!,f=-13!) USER MOD Set 7.1: A 62 LYS NZ :NH3+ -123:sc= 0.641 (180deg=0) USER MOD Set 7.2: A 64 TYR OH : rot -110:sc= -9.19! USER MOD Set 8.1: A 13 ASN :FLIP amide:sc= -8.12! C(o=-39!,f=-31!) USER MOD Set 8.2: A 35 MET CE :methyl -128:sc= -22.8! (180deg=-19.7!) USER MOD Single : A 4 ASN :FLIP amide:sc=0.000178 F(o=-2,f=0.00018) USER MOD Single : A 5 ASN : amide:sc= 0 X(o=0,f=-0.0082) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 TYR OH : rot 14:sc= -4.86! USER MOD Single : A 12 TYR OH : rot 180:sc= -3.7! USER MOD Single : A 14 LYS NZ :NH3+ 168:sc= -1.54! (180deg=-1.69!) USER MOD Single : A 15 SER OG : rot 11:sc= 0.615! USER MOD Single : A 17 SER OG : rot 180:sc= 0.00429 USER MOD Single : A 20 LYS NZ :NH3+ 152:sc= -0.058 (180deg=-0.687) USER MOD Single : A 23 LYS NZ :NH3+ 140:sc= -3.64! (180deg=-6.19!) USER MOD Single : A 39 SER OG : rot 180:sc= -0.578! USER MOD Single : A 41 THR OG1 : rot -175:sc= -7.89! USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 THR OG1 : rot 88:sc= -11.7! USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 58 ASN : amide:sc= -3.45! C(o=-3.5!,f=-5.6!) USER MOD Single : A 60 CYS SG : rot 131:sc= -32.3! USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 SER OG : rot -55:sc= 0.0707 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 TYR OH : rot 180:sc= -0.821 USER MOD Single : A 77 TYR OH : rot 180:sc= -2.11! USER MOD Single : A 82 TYR OH : rot 165:sc= 0 USER MOD Single : A 86 SER OG : rot 180:sc= -6.25! USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 ASN : amide:sc= -7.26! C(o=-7.3!,f=-18!) USER MOD Single : A 103 THR OG1 : rot -7:sc= -1.8! USER MOD Single : A 110 CYS SG : rot 41:sc= 0.244 USER MOD ----------------------------------------------------------------- HETATM 1 C ACE A 3 -12.928 11.314 5.274 1.00 0.00 C HETATM 2 O ACE A 3 -11.785 11.722 5.474 1.00 0.00 O HETATM 3 CH3 ACE A 3 -14.015 12.255 4.817 1.00 0.00 C HETATM 0 H1 ACE A 3 -14.403 11.922 3.854 1.00 0.00 H new HETATM 0 H2 ACE A 3 -14.821 12.263 5.550 1.00 0.00 H new HETATM 0 H3 ACE A 3 -13.607 13.261 4.716 1.00 0.00 H new ATOM 7 N ASN A 4 -13.284 10.045 5.442 1.00 0.00 N ATOM 8 CA ASN A 4 -12.328 9.036 5.882 1.00 0.00 C ATOM 9 C ASN A 4 -10.898 9.478 5.592 1.00 0.00 C ATOM 10 O ASN A 4 -10.265 10.144 6.411 1.00 0.00 O ATOM 11 CB ASN A 4 -12.611 7.700 5.193 1.00 0.00 C ATOM 12 CG ASN A 4 -13.768 6.955 5.829 1.00 0.00 C ATOM 13 OD1 ASN A 4 -14.638 7.686 6.515 1.00 0.00 O flip ATOM 14 ND2 ASN A 4 -13.878 5.734 5.705 1.00 0.00 N flip ATOM 0 H ASN A 4 -14.227 9.691 5.280 1.00 0.00 H new ATOM 0 HA ASN A 4 -12.439 8.912 6.959 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -12.831 7.877 4.140 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -11.717 7.078 5.232 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -13.186 5.211 5.168 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -14.662 5.246 6.139 1.00 0.00 H new ATOM 21 N ASN A 5 -10.395 9.104 4.420 1.00 0.00 N ATOM 22 CA ASN A 5 -9.040 9.463 4.020 1.00 0.00 C ATOM 23 C ASN A 5 -8.010 8.658 4.806 1.00 0.00 C ATOM 24 O ASN A 5 -8.348 7.684 5.478 1.00 0.00 O ATOM 25 CB ASN A 5 -8.803 10.959 4.229 1.00 0.00 C ATOM 26 CG ASN A 5 -9.286 11.791 3.057 1.00 0.00 C ATOM 27 OD1 ASN A 5 -10.469 11.775 2.716 1.00 0.00 O ATOM 28 ND2 ASN A 5 -8.370 12.522 2.433 1.00 0.00 N ATOM 0 H ASN A 5 -10.906 8.552 3.731 1.00 0.00 H new ATOM 0 HA ASN A 5 -8.927 9.229 2.961 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -9.315 11.282 5.135 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -7.739 11.137 4.383 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -8.636 13.101 1.636 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -7.401 12.505 2.750 1.00 0.00 H new ATOM 35 N LEU A 6 -6.750 9.073 4.715 1.00 0.00 N ATOM 36 CA LEU A 6 -5.668 8.391 5.416 1.00 0.00 C ATOM 37 C LEU A 6 -4.648 9.393 5.946 1.00 0.00 C ATOM 38 O LEU A 6 -4.653 9.732 7.130 1.00 0.00 O ATOM 39 CB LEU A 6 -4.980 7.391 4.488 1.00 0.00 C ATOM 40 CG LEU A 6 -5.800 6.966 3.268 1.00 0.00 C ATOM 41 CD1 LEU A 6 -4.946 6.146 2.317 1.00 0.00 C ATOM 42 CD2 LEU A 6 -7.025 6.175 3.697 1.00 0.00 C ATOM 0 H LEU A 6 -6.454 9.878 4.163 1.00 0.00 H new ATOM 0 HA LEU A 6 -6.099 7.854 6.261 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -4.042 7.826 4.142 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -4.726 6.501 5.063 1.00 0.00 H new ATOM 0 HG LEU A 6 -6.135 7.863 2.748 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -5.543 5.851 1.454 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -4.097 6.743 1.984 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -4.584 5.255 2.830 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -7.596 5.882 2.816 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -6.711 5.283 4.239 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -7.648 6.792 4.344 1.00 0.00 H new ATOM 54 N GLU A 7 -3.774 9.861 5.064 1.00 0.00 N ATOM 55 CA GLU A 7 -2.746 10.821 5.442 1.00 0.00 C ATOM 56 C GLU A 7 -2.459 10.750 6.935 1.00 0.00 C ATOM 57 O GLU A 7 -2.981 11.543 7.718 1.00 0.00 O ATOM 58 CB GLU A 7 -3.172 12.239 5.056 1.00 0.00 C ATOM 59 CG GLU A 7 -4.668 12.477 5.173 1.00 0.00 C ATOM 60 CD GLU A 7 -5.065 13.891 4.795 1.00 0.00 C ATOM 61 OE1 GLU A 7 -4.517 14.417 3.804 1.00 0.00 O ATOM 62 OE2 GLU A 7 -5.922 14.473 5.493 1.00 0.00 O ATOM 0 H GLU A 7 -3.757 9.591 4.081 1.00 0.00 H new ATOM 0 HA GLU A 7 -1.833 10.567 4.904 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -2.648 12.953 5.692 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -2.860 12.437 4.030 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -5.196 11.772 4.531 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -4.985 12.276 6.196 1.00 0.00 H new ATOM 69 N THR A 8 -1.625 9.791 7.320 1.00 0.00 N ATOM 70 CA THR A 8 -1.260 9.604 8.718 1.00 0.00 C ATOM 71 C THR A 8 -0.690 8.208 8.948 1.00 0.00 C ATOM 72 O THR A 8 -0.006 7.963 9.940 1.00 0.00 O ATOM 73 CB THR A 8 -2.476 9.824 9.619 1.00 0.00 C ATOM 74 OG1 THR A 8 -2.122 9.684 10.983 1.00 0.00 O ATOM 75 CG2 THR A 8 -3.610 8.862 9.338 1.00 0.00 C ATOM 0 H THR A 8 -1.187 9.128 6.680 1.00 0.00 H new ATOM 0 HA THR A 8 -0.494 10.337 8.969 1.00 0.00 H new ATOM 0 HB THR A 8 -2.817 10.836 9.402 1.00 0.00 H new ATOM 0 HG1 THR A 8 -2.913 9.830 11.543 1.00 0.00 H new ATOM 0 HG21 THR A 8 -4.441 9.072 10.011 1.00 0.00 H new ATOM 0 HG22 THR A 8 -3.940 8.980 8.306 1.00 0.00 H new ATOM 0 HG23 THR A 8 -3.267 7.839 9.494 1.00 0.00 H new ATOM 83 N TYR A 9 -0.983 7.295 8.026 1.00 0.00 N ATOM 84 CA TYR A 9 -0.502 5.924 8.133 1.00 0.00 C ATOM 85 C TYR A 9 0.977 5.829 7.809 1.00 0.00 C ATOM 86 O TYR A 9 1.420 6.280 6.753 1.00 0.00 O ATOM 87 CB TYR A 9 -1.285 5.011 7.197 1.00 0.00 C ATOM 88 CG TYR A 9 -2.743 4.942 7.561 1.00 0.00 C ATOM 89 CD1 TYR A 9 -3.191 4.041 8.514 1.00 0.00 C ATOM 90 CD2 TYR A 9 -3.670 5.794 6.972 1.00 0.00 C ATOM 91 CE1 TYR A 9 -4.522 3.983 8.870 1.00 0.00 C ATOM 92 CE2 TYR A 9 -5.003 5.745 7.326 1.00 0.00 C ATOM 93 CZ TYR A 9 -5.425 4.839 8.275 1.00 0.00 C ATOM 94 OH TYR A 9 -6.752 4.788 8.631 1.00 0.00 O ATOM 0 H TYR A 9 -1.550 7.481 7.199 1.00 0.00 H new ATOM 0 HA TYR A 9 -0.652 5.604 9.164 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -1.184 5.370 6.173 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -0.857 4.009 7.227 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -2.486 3.373 8.986 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -3.343 6.504 6.227 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -4.855 3.271 9.611 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -5.712 6.414 6.861 1.00 0.00 H new ATOM 0 HH TYR A 9 -6.850 4.266 9.454 1.00 0.00 H new ATOM 104 N GLU A 10 1.736 5.220 8.707 1.00 0.00 N ATOM 105 CA GLU A 10 3.160 5.051 8.486 1.00 0.00 C ATOM 106 C GLU A 10 3.396 4.652 7.043 1.00 0.00 C ATOM 107 O GLU A 10 4.492 4.803 6.506 1.00 0.00 O ATOM 108 CB GLU A 10 3.719 3.962 9.399 1.00 0.00 C ATOM 109 CG GLU A 10 2.642 3.098 10.018 1.00 0.00 C ATOM 110 CD GLU A 10 3.192 2.112 11.030 1.00 0.00 C ATOM 111 OE1 GLU A 10 4.253 1.512 10.758 1.00 0.00 O ATOM 112 OE2 GLU A 10 2.561 1.938 12.093 1.00 0.00 O ATOM 0 H GLU A 10 1.392 4.838 9.588 1.00 0.00 H new ATOM 0 HA GLU A 10 3.663 5.992 8.707 1.00 0.00 H new ATOM 0 HB2 GLU A 10 4.400 3.331 8.828 1.00 0.00 H new ATOM 0 HB3 GLU A 10 4.305 4.426 10.192 1.00 0.00 H new ATOM 0 HG2 GLU A 10 1.904 3.737 10.503 1.00 0.00 H new ATOM 0 HG3 GLU A 10 2.123 2.552 9.230 1.00 0.00 H new ATOM 119 N TRP A 11 2.355 4.100 6.437 1.00 0.00 N ATOM 120 CA TRP A 11 2.426 3.625 5.074 1.00 0.00 C ATOM 121 C TRP A 11 1.901 4.635 4.053 1.00 0.00 C ATOM 122 O TRP A 11 2.460 4.767 2.967 1.00 0.00 O ATOM 123 CB TRP A 11 1.626 2.339 4.975 1.00 0.00 C ATOM 124 CG TRP A 11 0.279 2.419 5.641 1.00 0.00 C ATOM 125 CD1 TRP A 11 -0.063 2.011 6.905 1.00 0.00 C ATOM 126 CD2 TRP A 11 -0.920 2.918 5.050 1.00 0.00 C ATOM 127 NE1 TRP A 11 -1.409 2.216 7.118 1.00 0.00 N ATOM 128 CE2 TRP A 11 -1.953 2.776 5.993 1.00 0.00 C ATOM 129 CE3 TRP A 11 -1.214 3.470 3.810 1.00 0.00 C ATOM 130 CZ2 TRP A 11 -3.261 3.166 5.726 1.00 0.00 C ATOM 131 CZ3 TRP A 11 -2.511 3.857 3.542 1.00 0.00 C ATOM 132 CH2 TRP A 11 -3.521 3.703 4.496 1.00 0.00 C ATOM 0 H TRP A 11 1.444 3.972 6.878 1.00 0.00 H new ATOM 0 HA TRP A 11 3.477 3.463 4.834 1.00 0.00 H new ATOM 0 HB2 TRP A 11 1.489 2.086 3.924 1.00 0.00 H new ATOM 0 HB3 TRP A 11 2.198 1.528 5.426 1.00 0.00 H new ATOM 0 HD1 TRP A 11 0.622 1.591 7.627 1.00 0.00 H new ATOM 0 HE1 TRP A 11 -1.917 1.988 7.973 1.00 0.00 H new ATOM 0 HE3 TRP A 11 -0.440 3.594 3.067 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 -4.042 3.049 6.463 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 -2.750 4.286 2.580 1.00 0.00 H new ATOM 0 HH2 TRP A 11 -4.527 4.015 4.257 1.00 0.00 H new ATOM 143 N TYR A 12 0.808 5.317 4.376 1.00 0.00 N ATOM 144 CA TYR A 12 0.217 6.268 3.437 1.00 0.00 C ATOM 145 C TYR A 12 1.069 7.510 3.223 1.00 0.00 C ATOM 146 O TYR A 12 1.651 8.063 4.156 1.00 0.00 O ATOM 147 CB TYR A 12 -1.179 6.695 3.884 1.00 0.00 C ATOM 148 CG TYR A 12 -1.899 7.503 2.825 1.00 0.00 C ATOM 149 CD1 TYR A 12 -2.419 6.886 1.696 1.00 0.00 C ATOM 150 CD2 TYR A 12 -2.048 8.879 2.948 1.00 0.00 C ATOM 151 CE1 TYR A 12 -3.069 7.615 0.720 1.00 0.00 C ATOM 152 CE2 TYR A 12 -2.698 9.615 1.975 1.00 0.00 C ATOM 153 CZ TYR A 12 -3.207 8.979 0.864 1.00 0.00 C ATOM 154 OH TYR A 12 -3.854 9.708 -0.107 1.00 0.00 O ATOM 0 H TYR A 12 0.318 5.233 5.267 1.00 0.00 H new ATOM 0 HA TYR A 12 0.157 5.736 2.488 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -1.768 5.810 4.125 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -1.101 7.285 4.797 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -2.314 5.818 1.579 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -1.650 9.381 3.817 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -3.468 7.119 -0.152 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -2.806 10.684 2.085 1.00 0.00 H new ATOM 0 HH TYR A 12 -3.866 10.654 0.148 1.00 0.00 H new ATOM 164 N ASN A 13 1.101 7.948 1.968 1.00 0.00 N ATOM 165 CA ASN A 13 1.833 9.139 1.563 1.00 0.00 C ATOM 166 C ASN A 13 1.030 9.881 0.496 1.00 0.00 C ATOM 167 O ASN A 13 0.874 9.395 -0.624 1.00 0.00 O ATOM 168 CB ASN A 13 3.213 8.757 1.034 1.00 0.00 C ATOM 169 CG ASN A 13 4.182 8.454 2.156 1.00 0.00 C ATOM 170 OD1 ASN A 13 3.992 7.310 2.797 1.00 0.00 O flip ATOM 171 ND2 ASN A 13 5.088 9.237 2.443 1.00 0.00 N flip ATOM 0 H ASN A 13 0.616 7.483 1.201 1.00 0.00 H new ATOM 0 HA ASN A 13 1.973 9.793 2.424 1.00 0.00 H new ATOM 0 HB2 ASN A 13 3.125 7.886 0.385 1.00 0.00 H new ATOM 0 HB3 ASN A 13 3.606 9.570 0.424 1.00 0.00 H new ATOM 0 HD21 ASN A 13 5.195 10.107 1.921 1.00 0.00 H new ATOM 0 HD22 ASN A 13 5.731 9.016 3.203 1.00 0.00 H new ATOM 178 N LYS A 14 0.490 11.041 0.862 1.00 0.00 N ATOM 179 CA LYS A 14 -0.331 11.825 -0.048 1.00 0.00 C ATOM 180 C LYS A 14 0.491 12.443 -1.175 1.00 0.00 C ATOM 181 O LYS A 14 0.421 12.003 -2.322 1.00 0.00 O ATOM 182 CB LYS A 14 -1.055 12.918 0.738 1.00 0.00 C ATOM 183 CG LYS A 14 -0.784 14.320 0.233 1.00 0.00 C ATOM 184 CD LYS A 14 -1.972 15.238 0.470 1.00 0.00 C ATOM 185 CE LYS A 14 -3.289 14.523 0.215 1.00 0.00 C ATOM 186 NZ LYS A 14 -3.925 14.061 1.480 1.00 0.00 N ATOM 0 H LYS A 14 0.609 11.457 1.786 1.00 0.00 H new ATOM 0 HA LYS A 14 -1.056 11.155 -0.510 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -2.128 12.730 0.699 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -0.758 12.856 1.785 1.00 0.00 H new ATOM 0 HG2 LYS A 14 0.095 14.725 0.734 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -0.556 14.286 -0.832 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -1.950 15.606 1.496 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -1.897 16.108 -0.183 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -3.970 15.193 -0.310 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -3.117 13.668 -0.438 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -4.903 13.764 1.289 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -3.389 13.258 1.865 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -3.928 14.838 2.171 1.00 0.00 H new ATOM 200 N SER A 15 1.255 13.476 -0.842 1.00 0.00 N ATOM 201 CA SER A 15 2.079 14.173 -1.828 1.00 0.00 C ATOM 202 C SER A 15 3.061 13.222 -2.502 1.00 0.00 C ATOM 203 O SER A 15 3.739 13.589 -3.462 1.00 0.00 O ATOM 204 CB SER A 15 2.838 15.322 -1.165 1.00 0.00 C ATOM 205 OG SER A 15 3.979 15.685 -1.924 1.00 0.00 O ATOM 0 H SER A 15 1.323 13.852 0.104 1.00 0.00 H new ATOM 0 HA SER A 15 1.415 14.574 -2.594 1.00 0.00 H new ATOM 0 HB2 SER A 15 2.179 16.184 -1.059 1.00 0.00 H new ATOM 0 HB3 SER A 15 3.144 15.028 -0.161 1.00 0.00 H new ATOM 0 HG SER A 15 3.946 15.240 -2.797 1.00 0.00 H new ATOM 211 N ILE A 16 3.147 12.006 -1.980 1.00 0.00 N ATOM 212 CA ILE A 16 4.056 11.004 -2.507 1.00 0.00 C ATOM 213 C ILE A 16 3.762 10.625 -3.950 1.00 0.00 C ATOM 214 O ILE A 16 2.650 10.798 -4.450 1.00 0.00 O ATOM 215 CB ILE A 16 3.988 9.721 -1.678 1.00 0.00 C ATOM 216 CG1 ILE A 16 5.309 9.483 -0.977 1.00 0.00 C ATOM 217 CG2 ILE A 16 3.641 8.538 -2.565 1.00 0.00 C ATOM 218 CD1 ILE A 16 5.717 8.031 -0.977 1.00 0.00 C ATOM 0 H ILE A 16 2.592 11.690 -1.185 1.00 0.00 H new ATOM 0 HA ILE A 16 5.045 11.460 -2.457 1.00 0.00 H new ATOM 0 HB ILE A 16 3.207 9.831 -0.926 1.00 0.00 H new ATOM 0 HG12 ILE A 16 6.085 10.074 -1.464 1.00 0.00 H new ATOM 0 HG13 ILE A 16 5.238 9.836 0.052 1.00 0.00 H new ATOM 0 HG21 ILE A 16 3.596 7.631 -1.961 1.00 0.00 H new ATOM 0 HG22 ILE A 16 2.673 8.708 -3.037 1.00 0.00 H new ATOM 0 HG23 ILE A 16 4.404 8.424 -3.335 1.00 0.00 H new ATOM 0 HD11 ILE A 16 6.671 7.921 -0.461 1.00 0.00 H new ATOM 0 HD12 ILE A 16 4.958 7.440 -0.465 1.00 0.00 H new ATOM 0 HD13 ILE A 16 5.818 7.681 -2.004 1.00 0.00 H new ATOM 230 N SER A 17 4.779 10.062 -4.588 1.00 0.00 N ATOM 231 CA SER A 17 4.682 9.589 -5.957 1.00 0.00 C ATOM 232 C SER A 17 5.119 8.130 -6.020 1.00 0.00 C ATOM 233 O SER A 17 5.314 7.490 -4.987 1.00 0.00 O ATOM 234 CB SER A 17 5.544 10.446 -6.877 1.00 0.00 C ATOM 235 OG SER A 17 5.016 10.473 -8.193 1.00 0.00 O ATOM 0 H SER A 17 5.697 9.921 -4.167 1.00 0.00 H new ATOM 0 HA SER A 17 3.648 9.667 -6.293 1.00 0.00 H new ATOM 0 HB2 SER A 17 5.602 11.461 -6.484 1.00 0.00 H new ATOM 0 HB3 SER A 17 6.561 10.053 -6.898 1.00 0.00 H new ATOM 0 HG SER A 17 5.586 11.031 -8.763 1.00 0.00 H new ATOM 241 N ARG A 18 5.279 7.605 -7.226 1.00 0.00 N ATOM 242 CA ARG A 18 5.704 6.220 -7.395 1.00 0.00 C ATOM 243 C ARG A 18 7.191 6.054 -7.082 1.00 0.00 C ATOM 244 O ARG A 18 7.605 5.054 -6.496 1.00 0.00 O ATOM 245 CB ARG A 18 5.416 5.746 -8.821 1.00 0.00 C ATOM 246 CG ARG A 18 5.694 6.800 -9.881 1.00 0.00 C ATOM 247 CD ARG A 18 4.442 7.133 -10.676 1.00 0.00 C ATOM 248 NE ARG A 18 4.489 6.578 -12.026 1.00 0.00 N ATOM 249 CZ ARG A 18 5.297 7.030 -12.980 1.00 0.00 C ATOM 250 NH1 ARG A 18 6.120 8.039 -12.732 1.00 0.00 N ATOM 251 NH2 ARG A 18 5.282 6.473 -14.183 1.00 0.00 N ATOM 0 H ARG A 18 5.123 8.112 -8.097 1.00 0.00 H new ATOM 0 HA ARG A 18 5.137 5.609 -6.692 1.00 0.00 H new ATOM 0 HB2 ARG A 18 6.021 4.864 -9.031 1.00 0.00 H new ATOM 0 HB3 ARG A 18 4.372 5.441 -8.889 1.00 0.00 H new ATOM 0 HG2 ARG A 18 6.076 7.704 -9.406 1.00 0.00 H new ATOM 0 HG3 ARG A 18 6.471 6.442 -10.557 1.00 0.00 H new ATOM 0 HD2 ARG A 18 3.567 6.745 -10.154 1.00 0.00 H new ATOM 0 HD3 ARG A 18 4.325 8.215 -10.733 1.00 0.00 H new ATOM 0 HE ARG A 18 3.868 5.801 -12.249 1.00 0.00 H new ATOM 0 HH11 ARG A 18 6.134 8.470 -11.808 1.00 0.00 H new ATOM 0 HH12 ARG A 18 6.739 8.384 -13.465 1.00 0.00 H new ATOM 0 HH21 ARG A 18 4.650 5.697 -14.378 1.00 0.00 H new ATOM 0 HH22 ARG A 18 5.903 6.821 -14.914 1.00 0.00 H new ATOM 265 N ASP A 19 7.990 7.031 -7.499 1.00 0.00 N ATOM 266 CA ASP A 19 9.438 6.991 -7.291 1.00 0.00 C ATOM 267 C ASP A 19 9.839 7.253 -5.837 1.00 0.00 C ATOM 268 O ASP A 19 10.688 6.550 -5.289 1.00 0.00 O ATOM 269 CB ASP A 19 10.124 8.009 -8.202 1.00 0.00 C ATOM 270 CG ASP A 19 9.749 7.825 -9.660 1.00 0.00 C ATOM 271 OD1 ASP A 19 10.407 7.012 -10.344 1.00 0.00 O ATOM 272 OD2 ASP A 19 8.799 8.493 -10.119 1.00 0.00 O ATOM 0 H ASP A 19 7.660 7.865 -7.985 1.00 0.00 H new ATOM 0 HA ASP A 19 9.764 5.981 -7.538 1.00 0.00 H new ATOM 0 HB2 ASP A 19 9.854 9.016 -7.885 1.00 0.00 H new ATOM 0 HB3 ASP A 19 11.205 7.919 -8.094 1.00 0.00 H new ATOM 277 N LYS A 20 9.253 8.278 -5.222 1.00 0.00 N ATOM 278 CA LYS A 20 9.590 8.631 -3.843 1.00 0.00 C ATOM 279 C LYS A 20 9.325 7.479 -2.885 1.00 0.00 C ATOM 280 O LYS A 20 10.196 7.104 -2.092 1.00 0.00 O ATOM 281 CB LYS A 20 8.800 9.862 -3.397 1.00 0.00 C ATOM 282 CG LYS A 20 8.928 11.039 -4.345 1.00 0.00 C ATOM 283 CD LYS A 20 8.048 10.855 -5.567 1.00 0.00 C ATOM 284 CE LYS A 20 7.468 12.179 -6.037 1.00 0.00 C ATOM 285 NZ LYS A 20 8.478 13.272 -6.002 1.00 0.00 N ATOM 0 H LYS A 20 8.547 8.876 -5.652 1.00 0.00 H new ATOM 0 HA LYS A 20 10.656 8.855 -3.818 1.00 0.00 H new ATOM 0 HB2 LYS A 20 7.748 9.594 -3.303 1.00 0.00 H new ATOM 0 HB3 LYS A 20 9.142 10.164 -2.407 1.00 0.00 H new ATOM 0 HG2 LYS A 20 8.650 11.958 -3.828 1.00 0.00 H new ATOM 0 HG3 LYS A 20 9.967 11.149 -4.655 1.00 0.00 H new ATOM 0 HD2 LYS A 20 8.629 10.405 -6.372 1.00 0.00 H new ATOM 0 HD3 LYS A 20 7.238 10.164 -5.333 1.00 0.00 H new ATOM 0 HE2 LYS A 20 7.088 12.069 -7.053 1.00 0.00 H new ATOM 0 HE3 LYS A 20 6.620 12.448 -5.407 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 8.244 13.984 -6.723 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 8.476 13.717 -5.062 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 9.421 12.879 -6.197 1.00 0.00 H new ATOM 299 N ALA A 21 8.122 6.920 -2.950 1.00 0.00 N ATOM 300 CA ALA A 21 7.768 5.819 -2.069 1.00 0.00 C ATOM 301 C ALA A 21 8.849 4.747 -2.110 1.00 0.00 C ATOM 302 O ALA A 21 9.374 4.343 -1.076 1.00 0.00 O ATOM 303 CB ALA A 21 6.402 5.250 -2.416 1.00 0.00 C ATOM 0 H ALA A 21 7.386 7.208 -3.595 1.00 0.00 H new ATOM 0 HA ALA A 21 7.703 6.199 -1.049 1.00 0.00 H new ATOM 0 HB1 ALA A 21 6.167 4.429 -1.739 1.00 0.00 H new ATOM 0 HB2 ALA A 21 5.647 6.030 -2.316 1.00 0.00 H new ATOM 0 HB3 ALA A 21 6.411 4.883 -3.442 1.00 0.00 H new ATOM 309 N GLU A 22 9.216 4.309 -3.307 1.00 0.00 N ATOM 310 CA GLU A 22 10.267 3.313 -3.438 1.00 0.00 C ATOM 311 C GLU A 22 11.524 3.826 -2.746 1.00 0.00 C ATOM 312 O GLU A 22 12.157 3.118 -1.950 1.00 0.00 O ATOM 313 CB GLU A 22 10.554 3.023 -4.912 1.00 0.00 C ATOM 314 CG GLU A 22 9.358 2.469 -5.669 1.00 0.00 C ATOM 315 CD GLU A 22 9.728 1.320 -6.586 1.00 0.00 C ATOM 316 OE1 GLU A 22 10.827 1.363 -7.177 1.00 0.00 O ATOM 317 OE2 GLU A 22 8.919 0.377 -6.712 1.00 0.00 O ATOM 0 H GLU A 22 8.808 4.623 -4.188 1.00 0.00 H new ATOM 0 HA GLU A 22 9.943 2.384 -2.969 1.00 0.00 H new ATOM 0 HB2 GLU A 22 10.886 3.942 -5.396 1.00 0.00 H new ATOM 0 HB3 GLU A 22 11.377 2.312 -4.980 1.00 0.00 H new ATOM 0 HG2 GLU A 22 8.606 2.132 -4.956 1.00 0.00 H new ATOM 0 HG3 GLU A 22 8.904 3.267 -6.257 1.00 0.00 H new ATOM 324 N LYS A 23 11.856 5.085 -3.031 1.00 0.00 N ATOM 325 CA LYS A 23 13.008 5.726 -2.422 1.00 0.00 C ATOM 326 C LYS A 23 12.897 5.618 -0.912 1.00 0.00 C ATOM 327 O LYS A 23 13.820 5.158 -0.242 1.00 0.00 O ATOM 328 CB LYS A 23 13.099 7.193 -2.849 1.00 0.00 C ATOM 329 CG LYS A 23 12.778 8.177 -1.734 1.00 0.00 C ATOM 330 CD LYS A 23 13.922 8.287 -0.741 1.00 0.00 C ATOM 331 CE LYS A 23 13.588 9.247 0.390 1.00 0.00 C ATOM 332 NZ LYS A 23 13.279 8.527 1.656 1.00 0.00 N ATOM 0 H LYS A 23 11.339 5.677 -3.681 1.00 0.00 H new ATOM 0 HA LYS A 23 13.916 5.224 -2.756 1.00 0.00 H new ATOM 0 HB2 LYS A 23 14.105 7.393 -3.219 1.00 0.00 H new ATOM 0 HB3 LYS A 23 12.414 7.363 -3.680 1.00 0.00 H new ATOM 0 HG2 LYS A 23 12.571 9.158 -2.162 1.00 0.00 H new ATOM 0 HG3 LYS A 23 11.874 7.858 -1.215 1.00 0.00 H new ATOM 0 HD2 LYS A 23 14.144 7.302 -0.330 1.00 0.00 H new ATOM 0 HD3 LYS A 23 14.820 8.628 -1.256 1.00 0.00 H new ATOM 0 HE2 LYS A 23 14.428 9.923 0.552 1.00 0.00 H new ATOM 0 HE3 LYS A 23 12.734 9.862 0.104 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 13.701 9.038 2.458 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 12.248 8.474 1.783 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 13.672 7.565 1.613 1.00 0.00 H new ATOM 346 N LEU A 24 11.741 6.015 -0.383 1.00 0.00 N ATOM 347 CA LEU A 24 11.509 5.921 1.051 1.00 0.00 C ATOM 348 C LEU A 24 11.526 4.458 1.462 1.00 0.00 C ATOM 349 O LEU A 24 12.122 4.092 2.476 1.00 0.00 O ATOM 350 CB LEU A 24 10.177 6.559 1.442 1.00 0.00 C ATOM 351 CG LEU A 24 9.046 6.378 0.433 1.00 0.00 C ATOM 352 CD1 LEU A 24 8.308 5.066 0.675 1.00 0.00 C ATOM 353 CD2 LEU A 24 8.093 7.559 0.506 1.00 0.00 C ATOM 0 H LEU A 24 10.963 6.399 -0.919 1.00 0.00 H new ATOM 0 HA LEU A 24 12.300 6.463 1.569 1.00 0.00 H new ATOM 0 HB2 LEU A 24 9.860 6.141 2.398 1.00 0.00 H new ATOM 0 HB3 LEU A 24 10.336 7.626 1.597 1.00 0.00 H new ATOM 0 HG LEU A 24 9.474 6.337 -0.569 1.00 0.00 H new ATOM 0 HD11 LEU A 24 7.507 4.959 -0.056 1.00 0.00 H new ATOM 0 HD12 LEU A 24 9.004 4.233 0.575 1.00 0.00 H new ATOM 0 HD13 LEU A 24 7.885 5.066 1.680 1.00 0.00 H new ATOM 0 HD21 LEU A 24 7.289 7.423 -0.217 1.00 0.00 H new ATOM 0 HD22 LEU A 24 7.672 7.625 1.509 1.00 0.00 H new ATOM 0 HD23 LEU A 24 8.634 8.478 0.278 1.00 0.00 H new ATOM 365 N LEU A 25 10.892 3.618 0.647 1.00 0.00 N ATOM 366 CA LEU A 25 10.864 2.190 0.910 1.00 0.00 C ATOM 367 C LEU A 25 12.286 1.705 1.128 1.00 0.00 C ATOM 368 O LEU A 25 12.603 1.099 2.149 1.00 0.00 O ATOM 369 CB LEU A 25 10.246 1.426 -0.266 1.00 0.00 C ATOM 370 CG LEU A 25 8.753 1.100 -0.150 1.00 0.00 C ATOM 371 CD1 LEU A 25 8.481 0.237 1.071 1.00 0.00 C ATOM 372 CD2 LEU A 25 7.921 2.370 -0.100 1.00 0.00 C ATOM 0 H LEU A 25 10.394 3.904 -0.196 1.00 0.00 H new ATOM 0 HA LEU A 25 10.256 2.008 1.796 1.00 0.00 H new ATOM 0 HB2 LEU A 25 10.400 2.010 -1.173 1.00 0.00 H new ATOM 0 HB3 LEU A 25 10.792 0.491 -0.393 1.00 0.00 H new ATOM 0 HG LEU A 25 8.464 0.538 -1.038 1.00 0.00 H new ATOM 0 HD11 LEU A 25 7.415 0.019 1.132 1.00 0.00 H new ATOM 0 HD12 LEU A 25 9.038 -0.696 0.988 1.00 0.00 H new ATOM 0 HD13 LEU A 25 8.795 0.769 1.969 1.00 0.00 H new ATOM 0 HD21 LEU A 25 6.866 2.111 -0.018 1.00 0.00 H new ATOM 0 HD22 LEU A 25 8.217 2.965 0.764 1.00 0.00 H new ATOM 0 HD23 LEU A 25 8.083 2.947 -1.010 1.00 0.00 H new ATOM 384 N LEU A 26 13.141 1.991 0.149 1.00 0.00 N ATOM 385 CA LEU A 26 14.542 1.595 0.219 1.00 0.00 C ATOM 386 C LEU A 26 15.264 2.312 1.355 1.00 0.00 C ATOM 387 O LEU A 26 15.911 1.679 2.189 1.00 0.00 O ATOM 388 CB LEU A 26 15.239 1.897 -1.103 1.00 0.00 C ATOM 389 CG LEU A 26 15.624 0.668 -1.919 1.00 0.00 C ATOM 390 CD1 LEU A 26 15.052 0.765 -3.324 1.00 0.00 C ATOM 391 CD2 LEU A 26 17.136 0.512 -1.957 1.00 0.00 C ATOM 0 H LEU A 26 12.887 2.495 -0.701 1.00 0.00 H new ATOM 0 HA LEU A 26 14.577 0.523 0.413 1.00 0.00 H new ATOM 0 HB2 LEU A 26 14.585 2.526 -1.707 1.00 0.00 H new ATOM 0 HB3 LEU A 26 16.139 2.477 -0.899 1.00 0.00 H new ATOM 0 HG LEU A 26 15.203 -0.217 -1.442 1.00 0.00 H new ATOM 0 HD11 LEU A 26 15.336 -0.120 -3.894 1.00 0.00 H new ATOM 0 HD12 LEU A 26 13.965 0.829 -3.271 1.00 0.00 H new ATOM 0 HD13 LEU A 26 15.445 1.655 -3.816 1.00 0.00 H new ATOM 0 HD21 LEU A 26 17.396 -0.370 -2.543 1.00 0.00 H new ATOM 0 HD22 LEU A 26 17.582 1.396 -2.414 1.00 0.00 H new ATOM 0 HD23 LEU A 26 17.516 0.398 -0.942 1.00 0.00 H new ATOM 403 N ASP A 27 15.147 3.634 1.382 1.00 0.00 N ATOM 404 CA ASP A 27 15.790 4.437 2.415 1.00 0.00 C ATOM 405 C ASP A 27 15.358 3.974 3.801 1.00 0.00 C ATOM 406 O ASP A 27 16.061 4.187 4.788 1.00 0.00 O ATOM 407 CB ASP A 27 15.449 5.916 2.229 1.00 0.00 C ATOM 408 CG ASP A 27 14.983 6.569 3.516 1.00 0.00 C ATOM 409 OD1 ASP A 27 15.841 6.879 4.369 1.00 0.00 O ATOM 410 OD2 ASP A 27 13.761 6.771 3.670 1.00 0.00 O ATOM 0 H ASP A 27 14.613 4.173 0.700 1.00 0.00 H new ATOM 0 HA ASP A 27 16.869 4.309 2.325 1.00 0.00 H new ATOM 0 HB2 ASP A 27 16.326 6.444 1.854 1.00 0.00 H new ATOM 0 HB3 ASP A 27 14.670 6.014 1.473 1.00 0.00 H new ATOM 415 N THR A 28 14.193 3.341 3.861 1.00 0.00 N ATOM 416 CA THR A 28 13.655 2.845 5.119 1.00 0.00 C ATOM 417 C THR A 28 14.310 1.525 5.514 1.00 0.00 C ATOM 418 O THR A 28 14.632 1.306 6.682 1.00 0.00 O ATOM 419 CB THR A 28 12.141 2.668 5.005 1.00 0.00 C ATOM 420 OG1 THR A 28 11.517 2.875 6.259 1.00 0.00 O ATOM 421 CG2 THR A 28 11.733 1.299 4.501 1.00 0.00 C ATOM 0 H THR A 28 13.602 3.159 3.050 1.00 0.00 H new ATOM 0 HA THR A 28 13.874 3.577 5.896 1.00 0.00 H new ATOM 0 HB THR A 28 11.816 3.412 4.278 1.00 0.00 H new ATOM 0 HG1 THR A 28 11.269 3.819 6.349 1.00 0.00 H new ATOM 0 HG21 THR A 28 10.646 1.241 4.444 1.00 0.00 H new ATOM 0 HG22 THR A 28 12.158 1.134 3.511 1.00 0.00 H new ATOM 0 HG23 THR A 28 12.102 0.535 5.185 1.00 0.00 H new ATOM 429 N GLY A 29 14.505 0.649 4.534 1.00 0.00 N ATOM 430 CA GLY A 29 15.120 -0.637 4.801 1.00 0.00 C ATOM 431 C GLY A 29 14.281 -1.502 5.721 1.00 0.00 C ATOM 432 O GLY A 29 14.577 -1.624 6.909 1.00 0.00 O ATOM 0 H GLY A 29 14.248 0.807 3.560 1.00 0.00 H new ATOM 0 HA2 GLY A 29 15.280 -1.162 3.859 1.00 0.00 H new ATOM 0 HA3 GLY A 29 16.101 -0.481 5.249 1.00 0.00 H new ATOM 436 N LYS A 30 13.228 -2.098 5.171 1.00 0.00 N ATOM 437 CA LYS A 30 12.338 -2.952 5.950 1.00 0.00 C ATOM 438 C LYS A 30 11.840 -4.141 5.146 1.00 0.00 C ATOM 439 O LYS A 30 11.681 -4.064 3.928 1.00 0.00 O ATOM 440 CB LYS A 30 11.132 -2.157 6.447 1.00 0.00 C ATOM 441 CG LYS A 30 11.406 -1.343 7.692 1.00 0.00 C ATOM 442 CD LYS A 30 11.751 0.099 7.366 1.00 0.00 C ATOM 443 CE LYS A 30 10.496 0.940 7.177 1.00 0.00 C ATOM 444 NZ LYS A 30 10.413 2.049 8.169 1.00 0.00 N ATOM 0 H LYS A 30 12.970 -2.005 4.189 1.00 0.00 H new ATOM 0 HA LYS A 30 12.919 -3.322 6.795 1.00 0.00 H new ATOM 0 HB2 LYS A 30 10.798 -1.488 5.654 1.00 0.00 H new ATOM 0 HB3 LYS A 30 10.312 -2.847 6.649 1.00 0.00 H new ATOM 0 HG2 LYS A 30 10.531 -1.368 8.341 1.00 0.00 H new ATOM 0 HG3 LYS A 30 12.228 -1.795 8.247 1.00 0.00 H new ATOM 0 HD2 LYS A 30 12.356 0.521 8.169 1.00 0.00 H new ATOM 0 HD3 LYS A 30 12.355 0.134 6.459 1.00 0.00 H new ATOM 0 HE2 LYS A 30 10.485 1.354 6.169 1.00 0.00 H new ATOM 0 HE3 LYS A 30 9.616 0.304 7.270 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 9.501 2.002 8.667 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 11.188 1.958 8.857 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 10.492 2.962 7.677 1.00 0.00 H new ATOM 458 N GLU A 31 11.561 -5.235 5.848 1.00 0.00 N ATOM 459 CA GLU A 31 11.040 -6.431 5.211 1.00 0.00 C ATOM 460 C GLU A 31 9.534 -6.291 5.043 1.00 0.00 C ATOM 461 O GLU A 31 8.783 -6.336 6.018 1.00 0.00 O ATOM 462 CB GLU A 31 11.368 -7.672 6.044 1.00 0.00 C ATOM 463 CG GLU A 31 11.662 -8.906 5.207 1.00 0.00 C ATOM 464 CD GLU A 31 12.139 -10.076 6.043 1.00 0.00 C ATOM 465 OE1 GLU A 31 11.873 -10.083 7.263 1.00 0.00 O ATOM 466 OE2 GLU A 31 12.780 -10.987 5.478 1.00 0.00 O ATOM 0 H GLU A 31 11.688 -5.314 6.857 1.00 0.00 H new ATOM 0 HA GLU A 31 11.507 -6.548 4.233 1.00 0.00 H new ATOM 0 HB2 GLU A 31 12.230 -7.458 6.676 1.00 0.00 H new ATOM 0 HB3 GLU A 31 10.531 -7.885 6.709 1.00 0.00 H new ATOM 0 HG2 GLU A 31 10.762 -9.195 4.664 1.00 0.00 H new ATOM 0 HG3 GLU A 31 12.420 -8.663 4.462 1.00 0.00 H new ATOM 473 N GLY A 32 9.101 -6.103 3.806 1.00 0.00 N ATOM 474 CA GLY A 32 7.693 -5.939 3.534 1.00 0.00 C ATOM 475 C GLY A 32 7.207 -4.534 3.843 1.00 0.00 C ATOM 476 O GLY A 32 6.019 -4.332 4.096 1.00 0.00 O ATOM 0 H GLY A 32 9.704 -6.061 2.984 1.00 0.00 H new ATOM 0 HA2 GLY A 32 7.499 -6.166 2.486 1.00 0.00 H new ATOM 0 HA3 GLY A 32 7.125 -6.656 4.126 1.00 0.00 H new ATOM 480 N ALA A 33 8.115 -3.554 3.817 1.00 0.00 N ATOM 481 CA ALA A 33 7.732 -2.180 4.092 1.00 0.00 C ATOM 482 C ALA A 33 6.523 -1.817 3.254 1.00 0.00 C ATOM 483 O ALA A 33 6.456 -2.148 2.069 1.00 0.00 O ATOM 484 CB ALA A 33 8.884 -1.226 3.832 1.00 0.00 C ATOM 0 H ALA A 33 9.105 -3.690 3.611 1.00 0.00 H new ATOM 0 HA ALA A 33 7.473 -2.090 5.147 1.00 0.00 H new ATOM 0 HB1 ALA A 33 8.567 -0.205 4.047 1.00 0.00 H new ATOM 0 HB2 ALA A 33 9.725 -1.487 4.474 1.00 0.00 H new ATOM 0 HB3 ALA A 33 9.189 -1.299 2.788 1.00 0.00 H new ATOM 490 N PHE A 34 5.556 -1.174 3.885 1.00 0.00 N ATOM 491 CA PHE A 34 4.326 -0.811 3.206 1.00 0.00 C ATOM 492 C PHE A 34 4.065 0.684 3.198 1.00 0.00 C ATOM 493 O PHE A 34 4.249 1.371 4.199 1.00 0.00 O ATOM 494 CB PHE A 34 3.158 -1.506 3.870 1.00 0.00 C ATOM 495 CG PHE A 34 1.871 -0.774 3.645 1.00 0.00 C ATOM 496 CD1 PHE A 34 1.383 -0.598 2.367 1.00 0.00 C ATOM 497 CD2 PHE A 34 1.151 -0.258 4.700 1.00 0.00 C ATOM 498 CE1 PHE A 34 0.205 0.083 2.146 1.00 0.00 C ATOM 499 CE2 PHE A 34 -0.015 0.416 4.484 1.00 0.00 C ATOM 500 CZ PHE A 34 -0.493 0.594 3.210 1.00 0.00 C ATOM 0 H PHE A 34 5.599 -0.893 4.865 1.00 0.00 H new ATOM 0 HA PHE A 34 4.437 -1.128 2.169 1.00 0.00 H new ATOM 0 HB2 PHE A 34 3.071 -2.521 3.482 1.00 0.00 H new ATOM 0 HB3 PHE A 34 3.346 -1.589 4.940 1.00 0.00 H new ATOM 0 HD1 PHE A 34 1.931 -0.999 1.528 1.00 0.00 H new ATOM 0 HD2 PHE A 34 1.514 -0.389 5.709 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -0.166 0.213 1.140 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -0.567 0.813 5.323 1.00 0.00 H new ATOM 0 HZ PHE A 34 -1.414 1.134 3.046 1.00 0.00 H new ATOM 510 N MET A 35 3.604 1.174 2.062 1.00 0.00 N ATOM 511 CA MET A 35 3.284 2.580 1.915 1.00 0.00 C ATOM 512 C MET A 35 2.065 2.751 1.021 1.00 0.00 C ATOM 513 O MET A 35 1.665 1.815 0.334 1.00 0.00 O ATOM 514 CB MET A 35 4.480 3.325 1.338 1.00 0.00 C ATOM 515 CG MET A 35 4.164 4.731 0.884 1.00 0.00 C ATOM 516 SD MET A 35 5.645 5.721 0.694 1.00 0.00 S ATOM 517 CE MET A 35 6.024 5.998 2.416 1.00 0.00 C ATOM 0 H MET A 35 3.443 0.615 1.224 1.00 0.00 H new ATOM 0 HA MET A 35 3.052 2.997 2.895 1.00 0.00 H new ATOM 0 HB2 MET A 35 5.268 3.365 2.090 1.00 0.00 H new ATOM 0 HB3 MET A 35 4.874 2.761 0.493 1.00 0.00 H new ATOM 0 HG2 MET A 35 3.628 4.694 -0.064 1.00 0.00 H new ATOM 0 HG3 MET A 35 3.501 5.205 1.607 1.00 0.00 H new ATOM 0 HE1 MET A 35 6.158 7.065 2.592 1.00 0.00 H new ATOM 0 HE2 MET A 35 5.205 5.629 3.033 1.00 0.00 H new ATOM 0 HE3 MET A 35 6.941 5.469 2.676 1.00 0.00 H new ATOM 527 N VAL A 36 1.475 3.940 1.030 1.00 0.00 N ATOM 528 CA VAL A 36 0.298 4.197 0.206 1.00 0.00 C ATOM 529 C VAL A 36 0.287 5.607 -0.352 1.00 0.00 C ATOM 530 O VAL A 36 0.826 6.534 0.251 1.00 0.00 O ATOM 531 CB VAL A 36 -1.014 3.953 0.972 1.00 0.00 C ATOM 532 CG1 VAL A 36 -2.216 4.251 0.091 1.00 0.00 C ATOM 533 CG2 VAL A 36 -1.060 2.525 1.473 1.00 0.00 C ATOM 0 H VAL A 36 1.786 4.733 1.591 1.00 0.00 H new ATOM 0 HA VAL A 36 0.362 3.489 -0.620 1.00 0.00 H new ATOM 0 HB VAL A 36 -1.050 4.627 1.828 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -3.132 4.072 0.653 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -2.184 5.293 -0.228 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -2.195 3.603 -0.785 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -1.991 2.359 2.014 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -1.005 1.840 0.626 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -0.216 2.346 2.139 1.00 0.00 H new ATOM 543 N ARG A 37 -0.328 5.755 -1.516 1.00 0.00 N ATOM 544 CA ARG A 37 -0.412 7.046 -2.173 1.00 0.00 C ATOM 545 C ARG A 37 -1.697 7.158 -2.991 1.00 0.00 C ATOM 546 O ARG A 37 -1.953 6.353 -3.886 1.00 0.00 O ATOM 547 CB ARG A 37 0.827 7.251 -3.043 1.00 0.00 C ATOM 548 CG ARG A 37 0.604 7.031 -4.526 1.00 0.00 C ATOM 549 CD ARG A 37 1.787 6.301 -5.140 1.00 0.00 C ATOM 550 NE ARG A 37 1.835 6.455 -6.591 1.00 0.00 N ATOM 551 CZ ARG A 37 1.878 7.632 -7.208 1.00 0.00 C ATOM 552 NH1 ARG A 37 1.897 8.754 -6.503 1.00 0.00 N ATOM 553 NH2 ARG A 37 1.908 7.687 -8.533 1.00 0.00 N ATOM 0 H ARG A 37 -0.777 4.993 -2.024 1.00 0.00 H new ATOM 0 HA ARG A 37 -0.444 7.834 -1.420 1.00 0.00 H new ATOM 0 HB2 ARG A 37 1.197 8.265 -2.892 1.00 0.00 H new ATOM 0 HB3 ARG A 37 1.609 6.573 -2.703 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -0.307 6.453 -4.681 1.00 0.00 H new ATOM 0 HG3 ARG A 37 0.462 7.990 -5.025 1.00 0.00 H new ATOM 0 HD2 ARG A 37 2.712 6.680 -4.705 1.00 0.00 H new ATOM 0 HD3 ARG A 37 1.728 5.242 -4.890 1.00 0.00 H new ATOM 0 HE ARG A 37 1.836 5.611 -7.164 1.00 0.00 H new ATOM 0 HH11 ARG A 37 1.879 8.716 -5.484 1.00 0.00 H new ATOM 0 HH12 ARG A 37 1.930 9.655 -6.980 1.00 0.00 H new ATOM 0 HH21 ARG A 37 1.898 6.826 -9.080 1.00 0.00 H new ATOM 0 HH22 ARG A 37 1.941 8.590 -9.005 1.00 0.00 H new ATOM 567 N ASP A 38 -2.512 8.154 -2.654 1.00 0.00 N ATOM 568 CA ASP A 38 -3.787 8.373 -3.329 1.00 0.00 C ATOM 569 C ASP A 38 -3.593 8.740 -4.797 1.00 0.00 C ATOM 570 O ASP A 38 -2.605 9.374 -5.168 1.00 0.00 O ATOM 571 CB ASP A 38 -4.577 9.475 -2.620 1.00 0.00 C ATOM 572 CG ASP A 38 -5.665 10.063 -3.497 1.00 0.00 C ATOM 573 OD1 ASP A 38 -6.463 9.283 -4.058 1.00 0.00 O ATOM 574 OD2 ASP A 38 -5.718 11.305 -3.624 1.00 0.00 O ATOM 0 H ASP A 38 -2.310 8.825 -1.913 1.00 0.00 H new ATOM 0 HA ASP A 38 -4.346 7.438 -3.287 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -5.025 9.070 -1.712 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -3.894 10.267 -2.313 1.00 0.00 H new ATOM 579 N SER A 39 -4.552 8.337 -5.625 1.00 0.00 N ATOM 580 CA SER A 39 -4.507 8.617 -7.054 1.00 0.00 C ATOM 581 C SER A 39 -5.612 9.597 -7.448 1.00 0.00 C ATOM 582 O SER A 39 -6.100 10.361 -6.616 1.00 0.00 O ATOM 583 CB SER A 39 -4.647 7.319 -7.851 1.00 0.00 C ATOM 584 OG SER A 39 -5.809 7.338 -8.661 1.00 0.00 O ATOM 0 H SER A 39 -5.374 7.812 -5.327 1.00 0.00 H new ATOM 0 HA SER A 39 -3.544 9.072 -7.284 1.00 0.00 H new ATOM 0 HB2 SER A 39 -3.766 7.177 -8.477 1.00 0.00 H new ATOM 0 HB3 SER A 39 -4.691 6.472 -7.167 1.00 0.00 H new ATOM 0 HG SER A 39 -5.873 6.497 -9.161 1.00 0.00 H new ATOM 590 N ARG A 40 -6.002 9.567 -8.719 1.00 0.00 N ATOM 591 CA ARG A 40 -7.050 10.451 -9.219 1.00 0.00 C ATOM 592 C ARG A 40 -8.208 9.645 -9.802 1.00 0.00 C ATOM 593 O ARG A 40 -9.345 10.113 -9.850 1.00 0.00 O ATOM 594 CB ARG A 40 -6.485 11.396 -10.281 1.00 0.00 C ATOM 595 CG ARG A 40 -7.081 12.793 -10.231 1.00 0.00 C ATOM 596 CD ARG A 40 -6.835 13.550 -11.527 1.00 0.00 C ATOM 597 NE ARG A 40 -6.242 14.864 -11.288 1.00 0.00 N ATOM 598 CZ ARG A 40 -5.079 15.045 -10.674 1.00 0.00 C ATOM 599 NH1 ARG A 40 -4.387 14.003 -10.238 1.00 0.00 N ATOM 600 NH2 ARG A 40 -4.606 16.272 -10.494 1.00 0.00 N ATOM 0 H ARG A 40 -5.608 8.941 -9.421 1.00 0.00 H new ATOM 0 HA ARG A 40 -7.425 11.040 -8.382 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -5.405 11.466 -10.155 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -6.664 10.969 -11.268 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -8.153 12.726 -10.045 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -6.647 13.345 -9.398 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -6.176 12.966 -12.169 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -7.777 13.669 -12.062 1.00 0.00 H new ATOM 0 HE ARG A 40 -6.750 15.688 -11.611 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -4.747 13.059 -10.374 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -3.494 14.145 -9.767 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -5.136 17.077 -10.828 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -3.712 16.410 -10.022 1.00 0.00 H new ATOM 614 N THR A 41 -7.903 8.429 -10.243 1.00 0.00 N ATOM 615 CA THR A 41 -8.906 7.544 -10.824 1.00 0.00 C ATOM 616 C THR A 41 -10.153 7.473 -9.930 1.00 0.00 C ATOM 617 O THR A 41 -10.373 8.359 -9.104 1.00 0.00 O ATOM 618 CB THR A 41 -8.290 6.160 -11.039 1.00 0.00 C ATOM 619 OG1 THR A 41 -8.887 5.500 -12.140 1.00 0.00 O ATOM 620 CG2 THR A 41 -8.400 5.258 -9.830 1.00 0.00 C ATOM 0 H THR A 41 -6.964 8.032 -10.209 1.00 0.00 H new ATOM 0 HA THR A 41 -9.226 7.939 -11.788 1.00 0.00 H new ATOM 0 HB THR A 41 -7.233 6.346 -11.230 1.00 0.00 H new ATOM 0 HG1 THR A 41 -8.531 4.589 -12.208 1.00 0.00 H new ATOM 0 HG21 THR A 41 -7.943 4.294 -10.053 1.00 0.00 H new ATOM 0 HG22 THR A 41 -7.886 5.717 -8.986 1.00 0.00 H new ATOM 0 HG23 THR A 41 -9.451 5.112 -9.579 1.00 0.00 H new ATOM 628 N PRO A 42 -10.998 6.431 -10.085 1.00 0.00 N ATOM 629 CA PRO A 42 -12.226 6.275 -9.295 1.00 0.00 C ATOM 630 C PRO A 42 -12.084 6.686 -7.828 1.00 0.00 C ATOM 631 O PRO A 42 -13.074 6.738 -7.099 1.00 0.00 O ATOM 632 CB PRO A 42 -12.504 4.782 -9.417 1.00 0.00 C ATOM 633 CG PRO A 42 -12.039 4.444 -10.789 1.00 0.00 C ATOM 634 CD PRO A 42 -10.842 5.326 -11.054 1.00 0.00 C ATOM 0 HA PRO A 42 -13.024 6.922 -9.659 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -11.965 4.212 -8.660 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -13.563 4.561 -9.288 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -11.770 3.390 -10.861 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -12.825 4.623 -11.522 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -9.907 4.788 -10.900 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -10.834 5.692 -12.081 1.00 0.00 H new ATOM 642 N GLY A 43 -10.863 6.988 -7.397 1.00 0.00 N ATOM 643 CA GLY A 43 -10.653 7.400 -6.019 1.00 0.00 C ATOM 644 C GLY A 43 -9.858 6.399 -5.214 1.00 0.00 C ATOM 645 O GLY A 43 -9.843 6.449 -3.984 1.00 0.00 O ATOM 0 H GLY A 43 -10.021 6.956 -7.971 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -10.135 8.359 -6.008 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -11.620 7.555 -5.541 1.00 0.00 H new ATOM 649 N THR A 44 -9.195 5.494 -5.908 1.00 0.00 N ATOM 650 CA THR A 44 -8.386 4.475 -5.261 1.00 0.00 C ATOM 651 C THR A 44 -7.115 5.078 -4.672 1.00 0.00 C ATOM 652 O THR A 44 -6.785 6.237 -4.926 1.00 0.00 O ATOM 653 CB THR A 44 -8.012 3.399 -6.275 1.00 0.00 C ATOM 654 OG1 THR A 44 -6.705 2.910 -6.031 1.00 0.00 O ATOM 655 CG2 THR A 44 -8.055 3.897 -7.700 1.00 0.00 C ATOM 0 H THR A 44 -9.200 5.443 -6.927 1.00 0.00 H new ATOM 0 HA THR A 44 -8.970 4.037 -4.451 1.00 0.00 H new ATOM 0 HB THR A 44 -8.754 2.610 -6.153 1.00 0.00 H new ATOM 0 HG1 THR A 44 -6.673 2.490 -5.146 1.00 0.00 H new ATOM 0 HG21 THR A 44 -7.780 3.088 -8.377 1.00 0.00 H new ATOM 0 HG22 THR A 44 -9.063 4.240 -7.935 1.00 0.00 H new ATOM 0 HG23 THR A 44 -7.354 4.723 -7.818 1.00 0.00 H new ATOM 663 N TYR A 45 -6.399 4.274 -3.897 1.00 0.00 N ATOM 664 CA TYR A 45 -5.151 4.705 -3.279 1.00 0.00 C ATOM 665 C TYR A 45 -4.011 3.788 -3.702 1.00 0.00 C ATOM 666 O TYR A 45 -4.242 2.656 -4.120 1.00 0.00 O ATOM 667 CB TYR A 45 -5.276 4.695 -1.758 1.00 0.00 C ATOM 668 CG TYR A 45 -6.424 5.522 -1.238 1.00 0.00 C ATOM 669 CD1 TYR A 45 -7.732 5.148 -1.496 1.00 0.00 C ATOM 670 CD2 TYR A 45 -6.200 6.670 -0.491 1.00 0.00 C ATOM 671 CE1 TYR A 45 -8.794 5.895 -1.025 1.00 0.00 C ATOM 672 CE2 TYR A 45 -7.255 7.425 -0.013 1.00 0.00 C ATOM 673 CZ TYR A 45 -8.551 7.033 -0.283 1.00 0.00 C ATOM 674 OH TYR A 45 -9.605 7.780 0.189 1.00 0.00 O ATOM 0 H TYR A 45 -6.663 3.313 -3.680 1.00 0.00 H new ATOM 0 HA TYR A 45 -4.938 5.721 -3.610 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -5.398 3.666 -1.419 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -4.347 5.065 -1.324 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -7.925 4.257 -2.075 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -5.187 6.978 -0.280 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -9.808 5.590 -1.236 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -7.067 8.316 0.568 1.00 0.00 H new ATOM 0 HH TYR A 45 -9.262 8.547 0.693 1.00 0.00 H new ATOM 684 N THR A 46 -2.781 4.271 -3.589 1.00 0.00 N ATOM 685 CA THR A 46 -1.616 3.469 -3.957 1.00 0.00 C ATOM 686 C THR A 46 -0.948 2.902 -2.710 1.00 0.00 C ATOM 687 O THR A 46 -1.007 3.506 -1.646 1.00 0.00 O ATOM 688 CB THR A 46 -0.609 4.302 -4.745 1.00 0.00 C ATOM 689 OG1 THR A 46 -1.264 5.109 -5.708 1.00 0.00 O ATOM 690 CG2 THR A 46 0.415 3.456 -5.470 1.00 0.00 C ATOM 0 H THR A 46 -2.562 5.207 -3.248 1.00 0.00 H new ATOM 0 HA THR A 46 -1.958 2.648 -4.586 1.00 0.00 H new ATOM 0 HB THR A 46 -0.097 4.918 -4.006 1.00 0.00 H new ATOM 0 HG1 THR A 46 -1.822 5.774 -5.253 1.00 0.00 H new ATOM 0 HG21 THR A 46 1.104 4.104 -6.012 1.00 0.00 H new ATOM 0 HG22 THR A 46 0.971 2.859 -4.747 1.00 0.00 H new ATOM 0 HG23 THR A 46 -0.091 2.795 -6.173 1.00 0.00 H new ATOM 698 N VAL A 47 -0.316 1.741 -2.849 1.00 0.00 N ATOM 699 CA VAL A 47 0.360 1.099 -1.723 1.00 0.00 C ATOM 700 C VAL A 47 1.775 0.666 -2.088 1.00 0.00 C ATOM 701 O VAL A 47 1.962 -0.269 -2.859 1.00 0.00 O ATOM 702 CB VAL A 47 -0.396 -0.148 -1.228 1.00 0.00 C ATOM 703 CG1 VAL A 47 0.501 -0.967 -0.306 1.00 0.00 C ATOM 704 CG2 VAL A 47 -1.688 0.238 -0.526 1.00 0.00 C ATOM 0 H VAL A 47 -0.257 1.225 -3.727 1.00 0.00 H new ATOM 0 HA VAL A 47 0.389 1.850 -0.933 1.00 0.00 H new ATOM 0 HB VAL A 47 -0.662 -0.758 -2.091 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -0.040 -1.847 0.040 1.00 0.00 H new ATOM 0 HG12 VAL A 47 1.393 -1.280 -0.849 1.00 0.00 H new ATOM 0 HG13 VAL A 47 0.793 -0.360 0.551 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -2.201 -0.662 -0.187 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -1.461 0.871 0.332 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -2.330 0.782 -1.219 1.00 0.00 H new ATOM 714 N SER A 48 2.769 1.321 -1.506 1.00 0.00 N ATOM 715 CA SER A 48 4.156 0.952 -1.768 1.00 0.00 C ATOM 716 C SER A 48 4.593 -0.134 -0.792 1.00 0.00 C ATOM 717 O SER A 48 4.688 0.104 0.414 1.00 0.00 O ATOM 718 CB SER A 48 5.106 2.150 -1.658 1.00 0.00 C ATOM 719 OG SER A 48 6.405 1.808 -2.111 1.00 0.00 O ATOM 0 H SER A 48 2.647 2.099 -0.858 1.00 0.00 H new ATOM 0 HA SER A 48 4.207 0.582 -2.792 1.00 0.00 H new ATOM 0 HB2 SER A 48 4.719 2.982 -2.246 1.00 0.00 H new ATOM 0 HB3 SER A 48 5.154 2.487 -0.623 1.00 0.00 H new ATOM 0 HG SER A 48 6.714 2.479 -2.754 1.00 0.00 H new ATOM 725 N VAL A 49 4.856 -1.322 -1.320 1.00 0.00 N ATOM 726 CA VAL A 49 5.289 -2.446 -0.502 1.00 0.00 C ATOM 727 C VAL A 49 6.677 -2.901 -0.931 1.00 0.00 C ATOM 728 O VAL A 49 6.872 -3.325 -2.072 1.00 0.00 O ATOM 729 CB VAL A 49 4.309 -3.632 -0.606 1.00 0.00 C ATOM 730 CG1 VAL A 49 2.893 -3.194 -0.268 1.00 0.00 C ATOM 731 CG2 VAL A 49 4.362 -4.248 -1.997 1.00 0.00 C ATOM 0 H VAL A 49 4.776 -1.532 -2.315 1.00 0.00 H new ATOM 0 HA VAL A 49 5.313 -2.109 0.534 1.00 0.00 H new ATOM 0 HB VAL A 49 4.612 -4.389 0.118 1.00 0.00 H new ATOM 0 HG11 VAL A 49 2.219 -4.047 -0.348 1.00 0.00 H new ATOM 0 HG12 VAL A 49 2.866 -2.804 0.750 1.00 0.00 H new ATOM 0 HG13 VAL A 49 2.577 -2.416 -0.963 1.00 0.00 H new ATOM 0 HG21 VAL A 49 3.664 -5.083 -2.052 1.00 0.00 H new ATOM 0 HG22 VAL A 49 4.088 -3.497 -2.738 1.00 0.00 H new ATOM 0 HG23 VAL A 49 5.372 -4.605 -2.198 1.00 0.00 H new ATOM 741 N PHE A 50 7.648 -2.799 -0.027 1.00 0.00 N ATOM 742 CA PHE A 50 9.014 -3.196 -0.354 1.00 0.00 C ATOM 743 C PHE A 50 9.649 -4.031 0.755 1.00 0.00 C ATOM 744 O PHE A 50 9.394 -3.820 1.950 1.00 0.00 O ATOM 745 CB PHE A 50 9.871 -1.963 -0.668 1.00 0.00 C ATOM 746 CG PHE A 50 10.966 -1.697 0.324 1.00 0.00 C ATOM 747 CD1 PHE A 50 10.663 -1.366 1.631 1.00 0.00 C ATOM 748 CD2 PHE A 50 12.299 -1.759 -0.056 1.00 0.00 C ATOM 749 CE1 PHE A 50 11.665 -1.105 2.545 1.00 0.00 C ATOM 750 CE2 PHE A 50 13.305 -1.495 0.849 1.00 0.00 C ATOM 751 CZ PHE A 50 12.987 -1.169 2.152 1.00 0.00 C ATOM 0 H PHE A 50 7.518 -2.451 0.923 1.00 0.00 H new ATOM 0 HA PHE A 50 8.968 -3.826 -1.242 1.00 0.00 H new ATOM 0 HB2 PHE A 50 10.315 -2.087 -1.656 1.00 0.00 H new ATOM 0 HB3 PHE A 50 9.222 -1.088 -0.717 1.00 0.00 H new ATOM 0 HD1 PHE A 50 9.630 -1.311 1.942 1.00 0.00 H new ATOM 0 HD2 PHE A 50 12.552 -2.017 -1.074 1.00 0.00 H new ATOM 0 HE1 PHE A 50 11.415 -0.851 3.565 1.00 0.00 H new ATOM 0 HE2 PHE A 50 14.339 -1.543 0.539 1.00 0.00 H new ATOM 0 HZ PHE A 50 13.772 -0.964 2.864 1.00 0.00 H new ATOM 761 N THR A 51 10.469 -4.996 0.338 1.00 0.00 N ATOM 762 CA THR A 51 11.142 -5.891 1.268 1.00 0.00 C ATOM 763 C THR A 51 12.589 -6.132 0.863 1.00 0.00 C ATOM 764 O THR A 51 12.865 -6.927 -0.034 1.00 0.00 O ATOM 765 CB THR A 51 10.413 -7.232 1.312 1.00 0.00 C ATOM 766 OG1 THR A 51 9.144 -7.103 1.927 1.00 0.00 O ATOM 767 CG2 THR A 51 11.182 -8.304 2.048 1.00 0.00 C ATOM 0 H THR A 51 10.681 -5.175 -0.643 1.00 0.00 H new ATOM 0 HA THR A 51 11.130 -5.418 2.250 1.00 0.00 H new ATOM 0 HB THR A 51 10.308 -7.535 0.270 1.00 0.00 H new ATOM 0 HG1 THR A 51 8.476 -6.860 1.252 1.00 0.00 H new ATOM 0 HG21 THR A 51 10.609 -9.231 2.043 1.00 0.00 H new ATOM 0 HG22 THR A 51 12.141 -8.467 1.556 1.00 0.00 H new ATOM 0 HG23 THR A 51 11.352 -7.988 3.077 1.00 0.00 H new ATOM 775 N LYS A 52 13.513 -5.462 1.539 1.00 0.00 N ATOM 776 CA LYS A 52 14.922 -5.634 1.250 1.00 0.00 C ATOM 777 C LYS A 52 15.186 -7.040 0.718 1.00 0.00 C ATOM 778 O LYS A 52 15.146 -8.022 1.460 1.00 0.00 O ATOM 779 CB LYS A 52 15.760 -5.383 2.504 1.00 0.00 C ATOM 780 CG LYS A 52 15.476 -4.044 3.166 1.00 0.00 C ATOM 781 CD LYS A 52 15.532 -4.148 4.682 1.00 0.00 C ATOM 782 CE LYS A 52 16.404 -5.310 5.129 1.00 0.00 C ATOM 783 NZ LYS A 52 17.174 -4.985 6.360 1.00 0.00 N ATOM 0 H LYS A 52 13.309 -4.799 2.287 1.00 0.00 H new ATOM 0 HA LYS A 52 15.208 -4.909 0.488 1.00 0.00 H new ATOM 0 HB2 LYS A 52 15.573 -6.181 3.222 1.00 0.00 H new ATOM 0 HB3 LYS A 52 16.817 -5.432 2.241 1.00 0.00 H new ATOM 0 HG2 LYS A 52 16.202 -3.307 2.824 1.00 0.00 H new ATOM 0 HG3 LYS A 52 14.492 -3.688 2.861 1.00 0.00 H new ATOM 0 HD2 LYS A 52 15.922 -3.219 5.097 1.00 0.00 H new ATOM 0 HD3 LYS A 52 14.524 -4.275 5.076 1.00 0.00 H new ATOM 0 HE2 LYS A 52 15.779 -6.184 5.312 1.00 0.00 H new ATOM 0 HE3 LYS A 52 17.095 -5.575 4.328 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 17.756 -5.803 6.632 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 17.790 -4.167 6.178 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 16.515 -4.757 7.132 1.00 0.00 H new ATOM 797 N ALA A 53 15.462 -7.113 -0.578 1.00 0.00 N ATOM 798 CA ALA A 53 15.742 -8.379 -1.233 1.00 0.00 C ATOM 799 C ALA A 53 16.155 -8.171 -2.687 1.00 0.00 C ATOM 800 O ALA A 53 16.690 -7.122 -3.047 1.00 0.00 O ATOM 801 CB ALA A 53 14.528 -9.289 -1.148 1.00 0.00 C ATOM 0 H ALA A 53 15.497 -6.303 -1.197 1.00 0.00 H new ATOM 0 HA ALA A 53 16.577 -8.853 -0.716 1.00 0.00 H new ATOM 0 HB1 ALA A 53 14.748 -10.236 -1.642 1.00 0.00 H new ATOM 0 HB2 ALA A 53 14.284 -9.473 -0.102 1.00 0.00 H new ATOM 0 HB3 ALA A 53 13.680 -8.812 -1.639 1.00 0.00 H new ATOM 807 N ILE A 54 15.907 -9.179 -3.517 1.00 0.00 N ATOM 808 CA ILE A 54 16.258 -9.107 -4.929 1.00 0.00 C ATOM 809 C ILE A 54 17.771 -9.058 -5.111 1.00 0.00 C ATOM 810 O ILE A 54 18.341 -8.000 -5.376 1.00 0.00 O ATOM 811 CB ILE A 54 15.627 -7.874 -5.605 1.00 0.00 C ATOM 812 CG1 ILE A 54 14.212 -8.198 -6.090 1.00 0.00 C ATOM 813 CG2 ILE A 54 16.494 -7.402 -6.762 1.00 0.00 C ATOM 814 CD1 ILE A 54 13.149 -8.019 -5.028 1.00 0.00 C ATOM 0 H ILE A 54 15.465 -10.054 -3.236 1.00 0.00 H new ATOM 0 HA ILE A 54 15.865 -10.007 -5.402 1.00 0.00 H new ATOM 0 HB ILE A 54 15.564 -7.070 -4.872 1.00 0.00 H new ATOM 0 HG12 ILE A 54 13.974 -7.560 -6.941 1.00 0.00 H new ATOM 0 HG13 ILE A 54 14.187 -9.228 -6.447 1.00 0.00 H new ATOM 0 HG21 ILE A 54 16.035 -6.531 -7.229 1.00 0.00 H new ATOM 0 HG22 ILE A 54 17.483 -7.135 -6.390 1.00 0.00 H new ATOM 0 HG23 ILE A 54 16.586 -8.201 -7.497 1.00 0.00 H new ATOM 0 HD11 ILE A 54 12.173 -8.267 -5.445 1.00 0.00 H new ATOM 0 HD12 ILE A 54 13.362 -8.677 -4.186 1.00 0.00 H new ATOM 0 HD13 ILE A 54 13.146 -6.984 -4.687 1.00 0.00 H new ATOM 826 N ILE A 55 18.416 -10.211 -4.963 1.00 0.00 N ATOM 827 CA ILE A 55 19.864 -10.301 -5.107 1.00 0.00 C ATOM 828 C ILE A 55 20.369 -9.382 -6.213 1.00 0.00 C ATOM 829 O ILE A 55 21.500 -8.900 -6.165 1.00 0.00 O ATOM 830 CB ILE A 55 20.309 -11.745 -5.413 1.00 0.00 C ATOM 831 CG1 ILE A 55 20.633 -12.487 -4.115 1.00 0.00 C ATOM 832 CG2 ILE A 55 21.512 -11.743 -6.344 1.00 0.00 C ATOM 833 CD1 ILE A 55 20.578 -13.994 -4.251 1.00 0.00 C ATOM 0 H ILE A 55 17.958 -11.096 -4.743 1.00 0.00 H new ATOM 0 HA ILE A 55 20.294 -9.988 -4.156 1.00 0.00 H new ATOM 0 HB ILE A 55 19.491 -12.264 -5.912 1.00 0.00 H new ATOM 0 HG12 ILE A 55 21.628 -12.197 -3.778 1.00 0.00 H new ATOM 0 HG13 ILE A 55 19.931 -12.174 -3.342 1.00 0.00 H new ATOM 0 HG21 ILE A 55 21.814 -12.770 -6.550 1.00 0.00 H new ATOM 0 HG22 ILE A 55 21.248 -11.248 -7.278 1.00 0.00 H new ATOM 0 HG23 ILE A 55 22.337 -11.210 -5.871 1.00 0.00 H new ATOM 0 HD11 ILE A 55 20.818 -14.455 -3.293 1.00 0.00 H new ATOM 0 HD12 ILE A 55 19.576 -14.295 -4.557 1.00 0.00 H new ATOM 0 HD13 ILE A 55 21.300 -14.318 -5.001 1.00 0.00 H new ATOM 845 N SER A 56 19.523 -9.143 -7.209 1.00 0.00 N ATOM 846 CA SER A 56 19.885 -8.280 -8.327 1.00 0.00 C ATOM 847 C SER A 56 19.795 -6.809 -7.932 1.00 0.00 C ATOM 848 O SER A 56 19.337 -5.974 -8.711 1.00 0.00 O ATOM 849 CB SER A 56 18.976 -8.555 -9.527 1.00 0.00 C ATOM 850 OG SER A 56 18.731 -9.942 -9.674 1.00 0.00 O ATOM 0 H SER A 56 18.583 -9.534 -7.265 1.00 0.00 H new ATOM 0 HA SER A 56 20.916 -8.500 -8.603 1.00 0.00 H new ATOM 0 HB2 SER A 56 18.031 -8.027 -9.400 1.00 0.00 H new ATOM 0 HB3 SER A 56 19.439 -8.166 -10.434 1.00 0.00 H new ATOM 0 HG SER A 56 18.147 -10.091 -10.446 1.00 0.00 H new ATOM 856 N GLU A 57 20.233 -6.500 -6.715 1.00 0.00 N ATOM 857 CA GLU A 57 20.201 -5.129 -6.217 1.00 0.00 C ATOM 858 C GLU A 57 19.021 -4.366 -6.809 1.00 0.00 C ATOM 859 O GLU A 57 19.052 -3.962 -7.971 1.00 0.00 O ATOM 860 CB GLU A 57 21.509 -4.411 -6.553 1.00 0.00 C ATOM 861 CG GLU A 57 21.308 -3.075 -7.248 1.00 0.00 C ATOM 862 CD GLU A 57 22.575 -2.245 -7.295 1.00 0.00 C ATOM 863 OE1 GLU A 57 22.852 -1.527 -6.310 1.00 0.00 O ATOM 864 OE2 GLU A 57 23.292 -2.313 -8.315 1.00 0.00 O ATOM 0 H GLU A 57 20.614 -7.180 -6.056 1.00 0.00 H new ATOM 0 HA GLU A 57 20.083 -5.163 -5.134 1.00 0.00 H new ATOM 0 HB2 GLU A 57 22.073 -4.252 -5.634 1.00 0.00 H new ATOM 0 HB3 GLU A 57 22.114 -5.055 -7.191 1.00 0.00 H new ATOM 0 HG2 GLU A 57 20.954 -3.248 -8.264 1.00 0.00 H new ATOM 0 HG3 GLU A 57 20.530 -2.514 -6.730 1.00 0.00 H new ATOM 871 N ASN A 58 17.982 -4.174 -6.004 1.00 0.00 N ATOM 872 CA ASN A 58 16.792 -3.461 -6.454 1.00 0.00 C ATOM 873 C ASN A 58 16.404 -2.356 -5.474 1.00 0.00 C ATOM 874 O ASN A 58 16.474 -1.173 -5.807 1.00 0.00 O ATOM 875 CB ASN A 58 15.628 -4.432 -6.641 1.00 0.00 C ATOM 876 CG ASN A 58 15.300 -4.666 -8.103 1.00 0.00 C ATOM 877 OD1 ASN A 58 16.023 -4.217 -8.993 1.00 0.00 O ATOM 878 ND2 ASN A 58 14.204 -5.370 -8.358 1.00 0.00 N ATOM 0 H ASN A 58 17.939 -4.501 -5.039 1.00 0.00 H new ATOM 0 HA ASN A 58 17.024 -2.997 -7.413 1.00 0.00 H new ATOM 0 HB2 ASN A 58 15.873 -5.384 -6.169 1.00 0.00 H new ATOM 0 HB3 ASN A 58 14.747 -4.041 -6.132 1.00 0.00 H new ATOM 0 HD21 ASN A 58 13.932 -5.558 -9.323 1.00 0.00 H new ATOM 0 HD22 ASN A 58 13.634 -5.723 -7.589 1.00 0.00 H new ATOM 885 N PRO A 59 15.984 -2.720 -4.249 1.00 0.00 N ATOM 886 CA PRO A 59 15.882 -4.105 -3.806 1.00 0.00 C ATOM 887 C PRO A 59 14.526 -4.727 -4.115 1.00 0.00 C ATOM 888 O PRO A 59 14.402 -5.555 -5.017 1.00 0.00 O ATOM 889 CB PRO A 59 16.078 -3.986 -2.296 1.00 0.00 C ATOM 890 CG PRO A 59 15.557 -2.631 -1.936 1.00 0.00 C ATOM 891 CD PRO A 59 15.575 -1.789 -3.191 1.00 0.00 C ATOM 0 HA PRO A 59 16.603 -4.751 -4.308 1.00 0.00 H new ATOM 0 HB2 PRO A 59 15.536 -4.769 -1.766 1.00 0.00 H new ATOM 0 HB3 PRO A 59 17.129 -4.088 -2.027 1.00 0.00 H new ATOM 0 HG2 PRO A 59 14.545 -2.703 -1.537 1.00 0.00 H new ATOM 0 HG3 PRO A 59 16.174 -2.177 -1.161 1.00 0.00 H new ATOM 0 HD2 PRO A 59 14.594 -1.360 -3.396 1.00 0.00 H new ATOM 0 HD3 PRO A 59 16.274 -0.957 -3.102 1.00 0.00 H new ATOM 899 N CYS A 60 13.508 -4.338 -3.356 1.00 0.00 N ATOM 900 CA CYS A 60 12.173 -4.879 -3.560 1.00 0.00 C ATOM 901 C CYS A 60 11.084 -3.876 -3.191 1.00 0.00 C ATOM 902 O CYS A 60 10.569 -3.898 -2.076 1.00 0.00 O ATOM 903 CB CYS A 60 12.000 -6.158 -2.737 1.00 0.00 C ATOM 904 SG CYS A 60 13.539 -7.065 -2.457 1.00 0.00 S ATOM 0 H CYS A 60 13.582 -3.656 -2.601 1.00 0.00 H new ATOM 0 HA CYS A 60 12.068 -5.103 -4.622 1.00 0.00 H new ATOM 0 HB2 CYS A 60 11.561 -5.901 -1.773 1.00 0.00 H new ATOM 0 HB3 CYS A 60 11.292 -6.812 -3.246 1.00 0.00 H new ATOM 0 HG CYS A 60 13.649 -7.353 -1.194 1.00 0.00 H new ATOM 910 N ILE A 61 10.709 -3.022 -4.144 1.00 0.00 N ATOM 911 CA ILE A 61 9.647 -2.047 -3.916 1.00 0.00 C ATOM 912 C ILE A 61 8.497 -2.294 -4.874 1.00 0.00 C ATOM 913 O ILE A 61 8.669 -2.241 -6.091 1.00 0.00 O ATOM 914 CB ILE A 61 10.101 -0.582 -4.085 1.00 0.00 C ATOM 915 CG1 ILE A 61 11.615 -0.451 -3.941 1.00 0.00 C ATOM 916 CG2 ILE A 61 9.385 0.302 -3.070 1.00 0.00 C ATOM 917 CD1 ILE A 61 12.151 -1.037 -2.658 1.00 0.00 C ATOM 0 H ILE A 61 11.123 -2.987 -5.075 1.00 0.00 H new ATOM 0 HA ILE A 61 9.342 -2.184 -2.879 1.00 0.00 H new ATOM 0 HB ILE A 61 9.837 -0.254 -5.090 1.00 0.00 H new ATOM 0 HG12 ILE A 61 12.096 -0.945 -4.785 1.00 0.00 H new ATOM 0 HG13 ILE A 61 11.887 0.603 -3.991 1.00 0.00 H new ATOM 0 HG21 ILE A 61 9.710 1.335 -3.194 1.00 0.00 H new ATOM 0 HG22 ILE A 61 8.308 0.239 -3.228 1.00 0.00 H new ATOM 0 HG23 ILE A 61 9.624 -0.035 -2.061 1.00 0.00 H new ATOM 0 HD11 ILE A 61 13.233 -0.908 -2.623 1.00 0.00 H new ATOM 0 HD12 ILE A 61 11.698 -0.527 -1.808 1.00 0.00 H new ATOM 0 HD13 ILE A 61 11.910 -2.099 -2.615 1.00 0.00 H new ATOM 929 N LYS A 62 7.324 -2.559 -4.324 1.00 0.00 N ATOM 930 CA LYS A 62 6.152 -2.805 -5.146 1.00 0.00 C ATOM 931 C LYS A 62 5.071 -1.783 -4.850 1.00 0.00 C ATOM 932 O LYS A 62 4.849 -1.416 -3.698 1.00 0.00 O ATOM 933 CB LYS A 62 5.608 -4.210 -4.905 1.00 0.00 C ATOM 934 CG LYS A 62 4.924 -4.807 -6.125 1.00 0.00 C ATOM 935 CD LYS A 62 4.747 -6.310 -5.986 1.00 0.00 C ATOM 936 CE LYS A 62 3.999 -6.895 -7.172 1.00 0.00 C ATOM 937 NZ LYS A 62 2.537 -7.002 -6.910 1.00 0.00 N ATOM 0 H LYS A 62 7.159 -2.609 -3.319 1.00 0.00 H new ATOM 0 HA LYS A 62 6.450 -2.717 -6.191 1.00 0.00 H new ATOM 0 HB2 LYS A 62 6.427 -4.862 -4.601 1.00 0.00 H new ATOM 0 HB3 LYS A 62 4.899 -4.181 -4.077 1.00 0.00 H new ATOM 0 HG2 LYS A 62 3.951 -4.337 -6.264 1.00 0.00 H new ATOM 0 HG3 LYS A 62 5.513 -4.590 -7.016 1.00 0.00 H new ATOM 0 HD2 LYS A 62 5.724 -6.786 -5.900 1.00 0.00 H new ATOM 0 HD3 LYS A 62 4.203 -6.530 -5.067 1.00 0.00 H new ATOM 0 HE2 LYS A 62 4.166 -6.271 -8.050 1.00 0.00 H new ATOM 0 HE3 LYS A 62 4.400 -7.882 -7.402 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 2.234 -7.989 -7.032 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 2.335 -6.696 -5.937 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 2.019 -6.396 -7.578 1.00 0.00 H new ATOM 951 N HIS A 63 4.393 -1.332 -5.893 1.00 0.00 N ATOM 952 CA HIS A 63 3.332 -0.359 -5.721 1.00 0.00 C ATOM 953 C HIS A 63 1.974 -1.034 -5.854 1.00 0.00 C ATOM 954 O HIS A 63 1.558 -1.418 -6.946 1.00 0.00 O ATOM 955 CB HIS A 63 3.465 0.761 -6.755 1.00 0.00 C ATOM 956 CG HIS A 63 4.519 1.767 -6.414 1.00 0.00 C ATOM 957 ND1 HIS A 63 4.554 2.473 -5.232 1.00 0.00 N ATOM 958 CD2 HIS A 63 5.596 2.180 -7.129 1.00 0.00 C ATOM 959 CE1 HIS A 63 5.625 3.277 -5.266 1.00 0.00 C ATOM 960 NE2 HIS A 63 6.292 3.138 -6.395 1.00 0.00 N ATOM 0 H HIS A 63 4.557 -1.622 -6.857 1.00 0.00 H new ATOM 0 HA HIS A 63 3.415 0.074 -4.724 1.00 0.00 H new ATOM 0 HB2 HIS A 63 3.693 0.322 -7.726 1.00 0.00 H new ATOM 0 HB3 HIS A 63 2.506 1.270 -6.853 1.00 0.00 H new ATOM 0 HD2 HIS A 63 5.870 1.823 -8.111 1.00 0.00 H new ATOM 0 HE1 HIS A 63 5.906 3.952 -4.471 1.00 0.00 H new ATOM 0 HE2 HIS A 63 7.141 3.630 -6.673 1.00 0.00 H new ATOM 968 N TYR A 64 1.293 -1.167 -4.728 1.00 0.00 N ATOM 969 CA TYR A 64 -0.020 -1.784 -4.687 1.00 0.00 C ATOM 970 C TYR A 64 -1.108 -0.727 -4.686 1.00 0.00 C ATOM 971 O TYR A 64 -1.250 0.019 -3.721 1.00 0.00 O ATOM 972 CB TYR A 64 -0.160 -2.642 -3.433 1.00 0.00 C ATOM 973 CG TYR A 64 0.635 -3.912 -3.497 1.00 0.00 C ATOM 974 CD1 TYR A 64 1.949 -3.899 -3.931 1.00 0.00 C ATOM 975 CD2 TYR A 64 0.071 -5.124 -3.135 1.00 0.00 C ATOM 976 CE1 TYR A 64 2.682 -5.058 -4.003 1.00 0.00 C ATOM 977 CE2 TYR A 64 0.798 -6.292 -3.202 1.00 0.00 C ATOM 978 CZ TYR A 64 2.105 -6.257 -3.638 1.00 0.00 C ATOM 979 OH TYR A 64 2.838 -7.419 -3.708 1.00 0.00 O ATOM 0 H TYR A 64 1.634 -0.851 -3.820 1.00 0.00 H new ATOM 0 HA TYR A 64 -0.127 -2.409 -5.574 1.00 0.00 H new ATOM 0 HB2 TYR A 64 0.160 -2.063 -2.567 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -1.212 -2.886 -3.283 1.00 0.00 H new ATOM 0 HD1 TYR A 64 2.405 -2.963 -4.218 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -0.954 -5.154 -2.795 1.00 0.00 H new ATOM 0 HE1 TYR A 64 3.706 -5.031 -4.344 1.00 0.00 H new ATOM 0 HE2 TYR A 64 0.346 -7.230 -2.914 1.00 0.00 H new ATOM 0 HH TYR A 64 2.495 -7.979 -4.435 1.00 0.00 H new ATOM 989 N HIS A 65 -1.888 -0.666 -5.752 1.00 0.00 N ATOM 990 CA HIS A 65 -2.960 0.305 -5.809 1.00 0.00 C ATOM 991 C HIS A 65 -4.213 -0.267 -5.190 1.00 0.00 C ATOM 992 O HIS A 65 -4.497 -1.459 -5.316 1.00 0.00 O ATOM 993 CB HIS A 65 -3.254 0.766 -7.228 1.00 0.00 C ATOM 994 CG HIS A 65 -3.479 2.234 -7.301 1.00 0.00 C ATOM 995 ND1 HIS A 65 -3.500 3.047 -6.201 1.00 0.00 N ATOM 996 CD2 HIS A 65 -3.701 3.031 -8.363 1.00 0.00 C ATOM 997 CE1 HIS A 65 -3.734 4.293 -6.618 1.00 0.00 C ATOM 998 NE2 HIS A 65 -3.864 4.340 -7.928 1.00 0.00 N ATOM 0 H HIS A 65 -1.800 -1.265 -6.573 1.00 0.00 H new ATOM 0 HA HIS A 65 -2.630 1.177 -5.244 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -2.422 0.494 -7.877 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -4.135 0.245 -7.603 1.00 0.00 H new ATOM 0 HD1 HIS A 65 -3.361 2.753 -5.234 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -3.745 2.704 -9.391 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -3.807 5.151 -5.966 1.00 0.00 H new ATOM 1006 N ILE A 66 -4.963 0.587 -4.523 1.00 0.00 N ATOM 1007 CA ILE A 66 -6.191 0.156 -3.889 1.00 0.00 C ATOM 1008 C ILE A 66 -7.354 0.332 -4.847 1.00 0.00 C ATOM 1009 O ILE A 66 -7.817 1.445 -5.072 1.00 0.00 O ATOM 1010 CB ILE A 66 -6.467 0.952 -2.597 1.00 0.00 C ATOM 1011 CG1 ILE A 66 -5.154 1.343 -1.919 1.00 0.00 C ATOM 1012 CG2 ILE A 66 -7.328 0.144 -1.646 1.00 0.00 C ATOM 1013 CD1 ILE A 66 -4.078 0.284 -2.025 1.00 0.00 C ATOM 0 H ILE A 66 -4.745 1.577 -4.407 1.00 0.00 H new ATOM 0 HA ILE A 66 -6.081 -0.896 -3.627 1.00 0.00 H new ATOM 0 HB ILE A 66 -7.006 1.861 -2.864 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -4.787 2.268 -2.364 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -5.346 1.550 -0.866 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -7.512 0.723 -0.741 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -8.278 -0.091 -2.126 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -6.814 -0.782 -1.387 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -3.175 0.631 -1.522 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -4.425 -0.636 -1.555 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -3.857 0.093 -3.075 1.00 0.00 H new ATOM 1025 N LYS A 67 -7.827 -0.772 -5.404 1.00 0.00 N ATOM 1026 CA LYS A 67 -8.939 -0.728 -6.336 1.00 0.00 C ATOM 1027 C LYS A 67 -10.226 -0.423 -5.587 1.00 0.00 C ATOM 1028 O LYS A 67 -10.400 -0.873 -4.457 1.00 0.00 O ATOM 1029 CB LYS A 67 -9.062 -2.053 -7.087 1.00 0.00 C ATOM 1030 CG LYS A 67 -9.979 -1.984 -8.297 1.00 0.00 C ATOM 1031 CD LYS A 67 -9.611 -0.825 -9.209 1.00 0.00 C ATOM 1032 CE LYS A 67 -8.105 -0.636 -9.289 1.00 0.00 C ATOM 1033 NZ LYS A 67 -7.500 -1.449 -10.381 1.00 0.00 N ATOM 0 H LYS A 67 -7.458 -1.706 -5.227 1.00 0.00 H new ATOM 0 HA LYS A 67 -8.756 0.062 -7.065 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -8.071 -2.371 -7.410 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -9.434 -2.816 -6.403 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -9.920 -2.919 -8.854 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -11.012 -1.875 -7.966 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -10.010 -1.005 -10.207 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -10.075 0.090 -8.841 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -7.880 0.418 -9.453 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -7.653 -0.914 -8.337 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -6.472 -1.292 -10.402 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -7.693 -2.457 -10.211 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -7.912 -1.167 -11.293 1.00 0.00 H new ATOM 1047 N GLU A 68 -11.114 0.348 -6.217 1.00 0.00 N ATOM 1048 CA GLU A 68 -12.387 0.730 -5.603 1.00 0.00 C ATOM 1049 C GLU A 68 -13.567 0.134 -6.371 1.00 0.00 C ATOM 1050 O GLU A 68 -13.578 0.127 -7.602 1.00 0.00 O ATOM 1051 CB GLU A 68 -12.525 2.258 -5.577 1.00 0.00 C ATOM 1052 CG GLU A 68 -11.404 2.972 -4.836 1.00 0.00 C ATOM 1053 CD GLU A 68 -11.867 4.260 -4.186 1.00 0.00 C ATOM 1054 OE1 GLU A 68 -12.966 4.740 -4.535 1.00 0.00 O ATOM 1055 OE2 GLU A 68 -11.130 4.791 -3.328 1.00 0.00 O ATOM 0 H GLU A 68 -10.974 0.721 -7.156 1.00 0.00 H new ATOM 0 HA GLU A 68 -12.396 0.342 -4.585 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -12.560 2.626 -6.602 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -13.476 2.518 -5.112 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -10.998 2.309 -4.072 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -10.594 3.191 -5.532 1.00 0.00 H new ATOM 1062 N THR A 69 -14.561 -0.359 -5.635 1.00 0.00 N ATOM 1063 CA THR A 69 -15.748 -0.951 -6.244 1.00 0.00 C ATOM 1064 C THR A 69 -17.013 -0.252 -5.754 1.00 0.00 C ATOM 1065 O THR A 69 -16.968 0.902 -5.329 1.00 0.00 O ATOM 1066 CB THR A 69 -15.819 -2.446 -5.925 1.00 0.00 C ATOM 1067 OG1 THR A 69 -16.922 -2.726 -5.082 1.00 0.00 O ATOM 1068 CG2 THR A 69 -14.575 -2.972 -5.243 1.00 0.00 C ATOM 0 H THR A 69 -14.567 -0.360 -4.615 1.00 0.00 H new ATOM 0 HA THR A 69 -15.677 -0.822 -7.324 1.00 0.00 H new ATOM 0 HB THR A 69 -15.922 -2.943 -6.890 1.00 0.00 H new ATOM 0 HG1 THR A 69 -16.597 -3.032 -4.209 1.00 0.00 H new ATOM 0 HG21 THR A 69 -14.691 -4.038 -5.045 1.00 0.00 H new ATOM 0 HG22 THR A 69 -13.712 -2.815 -5.890 1.00 0.00 H new ATOM 0 HG23 THR A 69 -14.424 -2.443 -4.302 1.00 0.00 H new ATOM 1076 N ASN A 70 -18.141 -0.957 -5.814 1.00 0.00 N ATOM 1077 CA ASN A 70 -19.414 -0.396 -5.371 1.00 0.00 C ATOM 1078 C ASN A 70 -19.507 -0.397 -3.857 1.00 0.00 C ATOM 1079 O ASN A 70 -20.237 0.396 -3.264 1.00 0.00 O ATOM 1080 CB ASN A 70 -20.584 -1.177 -5.974 1.00 0.00 C ATOM 1081 CG ASN A 70 -20.250 -2.638 -6.196 1.00 0.00 C ATOM 1082 OD1 ASN A 70 -19.429 -3.216 -5.483 1.00 0.00 O ATOM 1083 ND2 ASN A 70 -20.885 -3.247 -7.191 1.00 0.00 N ATOM 0 H ASN A 70 -18.199 -1.913 -6.164 1.00 0.00 H new ATOM 0 HA ASN A 70 -19.467 0.636 -5.718 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -21.447 -1.101 -5.313 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -20.869 -0.724 -6.924 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -20.700 -4.230 -7.388 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -21.558 -2.731 -7.758 1.00 0.00 H new ATOM 1090 N ASP A 71 -18.749 -1.284 -3.243 1.00 0.00 N ATOM 1091 CA ASP A 71 -18.717 -1.398 -1.799 1.00 0.00 C ATOM 1092 C ASP A 71 -20.117 -1.441 -1.193 1.00 0.00 C ATOM 1093 O ASP A 71 -21.013 -0.716 -1.623 1.00 0.00 O ATOM 1094 CB ASP A 71 -17.923 -0.239 -1.193 1.00 0.00 C ATOM 1095 CG ASP A 71 -18.774 0.638 -0.297 1.00 0.00 C ATOM 1096 OD1 ASP A 71 -18.991 0.259 0.873 1.00 0.00 O ATOM 1097 OD2 ASP A 71 -19.226 1.704 -0.765 1.00 0.00 O ATOM 0 H ASP A 71 -18.141 -1.943 -3.729 1.00 0.00 H new ATOM 0 HA ASP A 71 -18.226 -2.342 -1.561 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -17.086 -0.636 -0.619 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -17.501 0.367 -1.995 1.00 0.00 H new ATOM 1102 N SER A 72 -20.295 -2.295 -0.185 1.00 0.00 N ATOM 1103 CA SER A 72 -21.583 -2.424 0.481 1.00 0.00 C ATOM 1104 C SER A 72 -21.510 -3.354 1.696 1.00 0.00 C ATOM 1105 O SER A 72 -22.437 -4.125 1.941 1.00 0.00 O ATOM 1106 CB SER A 72 -22.634 -2.940 -0.502 1.00 0.00 C ATOM 1107 OG SER A 72 -23.944 -2.643 -0.051 1.00 0.00 O ATOM 0 H SER A 72 -19.565 -2.904 0.184 1.00 0.00 H new ATOM 0 HA SER A 72 -21.866 -1.433 0.837 1.00 0.00 H new ATOM 0 HB2 SER A 72 -22.472 -2.490 -1.481 1.00 0.00 H new ATOM 0 HB3 SER A 72 -22.524 -4.017 -0.625 1.00 0.00 H new ATOM 0 HG SER A 72 -24.070 -3.006 0.851 1.00 0.00 H new ATOM 1113 N PRO A 73 -20.411 -3.306 2.476 1.00 0.00 N ATOM 1114 CA PRO A 73 -19.273 -2.429 2.259 1.00 0.00 C ATOM 1115 C PRO A 73 -18.084 -3.160 1.630 1.00 0.00 C ATOM 1116 O PRO A 73 -17.542 -4.097 2.214 1.00 0.00 O ATOM 1117 CB PRO A 73 -18.939 -2.027 3.691 1.00 0.00 C ATOM 1118 CG PRO A 73 -19.274 -3.241 4.515 1.00 0.00 C ATOM 1119 CD PRO A 73 -20.185 -4.118 3.675 1.00 0.00 C ATOM 0 HA PRO A 73 -19.487 -1.606 1.577 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -17.888 -1.757 3.792 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -19.522 -1.161 4.006 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -18.368 -3.781 4.791 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -19.767 -2.952 5.443 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -19.716 -5.072 3.434 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -21.118 -4.343 4.192 1.00 0.00 H new ATOM 1127 N LYS A 74 -17.692 -2.730 0.437 1.00 0.00 N ATOM 1128 CA LYS A 74 -16.581 -3.338 -0.281 1.00 0.00 C ATOM 1129 C LYS A 74 -16.215 -2.496 -1.501 1.00 0.00 C ATOM 1130 O LYS A 74 -16.701 -2.745 -2.604 1.00 0.00 O ATOM 1131 CB LYS A 74 -16.950 -4.754 -0.722 1.00 0.00 C ATOM 1132 CG LYS A 74 -18.335 -5.210 -0.285 1.00 0.00 C ATOM 1133 CD LYS A 74 -19.419 -4.668 -1.203 1.00 0.00 C ATOM 1134 CE LYS A 74 -19.442 -5.406 -2.532 1.00 0.00 C ATOM 1135 NZ LYS A 74 -20.825 -5.548 -3.064 1.00 0.00 N ATOM 0 H LYS A 74 -18.133 -1.954 -0.057 1.00 0.00 H new ATOM 0 HA LYS A 74 -15.721 -3.386 0.387 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -16.889 -4.810 -1.809 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -16.210 -5.449 -0.325 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -18.375 -6.299 -0.278 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -18.523 -4.878 0.736 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -20.390 -4.762 -0.717 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -19.251 -3.605 -1.378 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -18.828 -4.870 -3.256 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -18.998 -6.394 -2.407 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -20.798 -6.056 -3.971 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -21.405 -6.082 -2.385 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -21.240 -4.605 -3.208 1.00 0.00 H new ATOM 1149 N ARG A 75 -15.380 -1.485 -1.293 1.00 0.00 N ATOM 1150 CA ARG A 75 -14.982 -0.593 -2.378 1.00 0.00 C ATOM 1151 C ARG A 75 -13.555 -0.831 -2.846 1.00 0.00 C ATOM 1152 O ARG A 75 -13.325 -1.229 -3.988 1.00 0.00 O ATOM 1153 CB ARG A 75 -15.115 0.862 -1.940 1.00 0.00 C ATOM 1154 CG ARG A 75 -15.010 1.057 -0.440 1.00 0.00 C ATOM 1155 CD ARG A 75 -15.627 2.376 -0.003 1.00 0.00 C ATOM 1156 NE ARG A 75 -16.636 2.846 -0.949 1.00 0.00 N ATOM 1157 CZ ARG A 75 -16.437 3.842 -1.806 1.00 0.00 C ATOM 1158 NH1 ARG A 75 -15.269 4.471 -1.837 1.00 0.00 N ATOM 1159 NH2 ARG A 75 -17.405 4.210 -2.634 1.00 0.00 N ATOM 0 H ARG A 75 -14.966 -1.262 -0.388 1.00 0.00 H new ATOM 0 HA ARG A 75 -15.650 -0.808 -3.212 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -14.340 1.452 -2.430 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -16.075 1.249 -2.282 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -15.510 0.234 0.070 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -13.962 1.028 -0.141 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -16.080 2.256 0.981 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -14.844 3.128 0.096 1.00 0.00 H new ATOM 0 HE ARG A 75 -17.545 2.383 -0.952 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -14.522 4.190 -1.202 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -15.119 5.235 -2.496 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -18.304 3.728 -2.614 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -17.251 4.975 -3.291 1.00 0.00 H new ATOM 1173 N TYR A 76 -12.599 -0.531 -1.981 1.00 0.00 N ATOM 1174 CA TYR A 76 -11.196 -0.654 -2.340 1.00 0.00 C ATOM 1175 C TYR A 76 -10.656 -2.065 -2.186 1.00 0.00 C ATOM 1176 O TYR A 76 -11.161 -2.863 -1.403 1.00 0.00 O ATOM 1177 CB TYR A 76 -10.372 0.334 -1.525 1.00 0.00 C ATOM 1178 CG TYR A 76 -11.050 1.671 -1.407 1.00 0.00 C ATOM 1179 CD1 TYR A 76 -12.176 1.950 -2.165 1.00 0.00 C ATOM 1180 CD2 TYR A 76 -10.575 2.645 -0.546 1.00 0.00 C ATOM 1181 CE1 TYR A 76 -12.815 3.164 -2.070 1.00 0.00 C ATOM 1182 CE2 TYR A 76 -11.208 3.867 -0.442 1.00 0.00 C ATOM 1183 CZ TYR A 76 -12.329 4.123 -1.206 1.00 0.00 C ATOM 1184 OH TYR A 76 -12.964 5.341 -1.107 1.00 0.00 O ATOM 0 H TYR A 76 -12.768 -0.202 -1.030 1.00 0.00 H new ATOM 0 HA TYR A 76 -11.114 -0.419 -3.401 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -10.198 -0.074 -0.529 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -9.395 0.463 -1.991 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -12.558 1.201 -2.842 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -9.698 2.446 0.052 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -13.692 3.365 -2.668 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -10.828 4.619 0.234 1.00 0.00 H new ATOM 0 HH TYR A 76 -12.496 5.902 -0.454 1.00 0.00 H new ATOM 1194 N TYR A 77 -9.616 -2.358 -2.956 1.00 0.00 N ATOM 1195 CA TYR A 77 -8.979 -3.672 -2.927 1.00 0.00 C ATOM 1196 C TYR A 77 -7.721 -3.691 -3.788 1.00 0.00 C ATOM 1197 O TYR A 77 -7.568 -2.883 -4.702 1.00 0.00 O ATOM 1198 CB TYR A 77 -9.952 -4.748 -3.412 1.00 0.00 C ATOM 1199 CG TYR A 77 -10.230 -4.689 -4.894 1.00 0.00 C ATOM 1200 CD1 TYR A 77 -11.110 -3.747 -5.414 1.00 0.00 C ATOM 1201 CD2 TYR A 77 -9.615 -5.570 -5.777 1.00 0.00 C ATOM 1202 CE1 TYR A 77 -11.370 -3.683 -6.767 1.00 0.00 C ATOM 1203 CE2 TYR A 77 -9.870 -5.509 -7.135 1.00 0.00 C ATOM 1204 CZ TYR A 77 -10.747 -4.564 -7.624 1.00 0.00 C ATOM 1205 OH TYR A 77 -11.004 -4.502 -8.974 1.00 0.00 O ATOM 0 H TYR A 77 -9.193 -1.701 -3.612 1.00 0.00 H new ATOM 0 HA TYR A 77 -8.696 -3.882 -1.895 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -9.547 -5.730 -3.166 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -10.892 -4.646 -2.870 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -11.599 -3.053 -4.747 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -8.929 -6.312 -5.397 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -12.059 -2.946 -7.153 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -9.384 -6.199 -7.810 1.00 0.00 H new ATOM 0 HH TYR A 77 -10.484 -5.191 -9.438 1.00 0.00 H new ATOM 1215 N VAL A 78 -6.827 -4.628 -3.495 1.00 0.00 N ATOM 1216 CA VAL A 78 -5.584 -4.767 -4.244 1.00 0.00 C ATOM 1217 C VAL A 78 -5.374 -6.212 -4.654 1.00 0.00 C ATOM 1218 O VAL A 78 -4.397 -6.845 -4.253 1.00 0.00 O ATOM 1219 CB VAL A 78 -4.367 -4.314 -3.419 1.00 0.00 C ATOM 1220 CG1 VAL A 78 -4.431 -2.821 -3.136 1.00 0.00 C ATOM 1221 CG2 VAL A 78 -4.280 -5.112 -2.127 1.00 0.00 C ATOM 0 H VAL A 78 -6.941 -5.305 -2.741 1.00 0.00 H new ATOM 0 HA VAL A 78 -5.671 -4.131 -5.125 1.00 0.00 H new ATOM 0 HB VAL A 78 -3.464 -4.503 -4.000 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -3.560 -2.524 -2.552 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -4.440 -2.272 -4.078 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -5.338 -2.595 -2.576 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -3.414 -4.781 -1.553 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -5.186 -4.955 -1.541 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -4.177 -6.172 -2.360 1.00 0.00 H new ATOM 1231 N ALA A 79 -6.303 -6.738 -5.437 1.00 0.00 N ATOM 1232 CA ALA A 79 -6.220 -8.120 -5.874 1.00 0.00 C ATOM 1233 C ALA A 79 -7.591 -8.649 -6.250 1.00 0.00 C ATOM 1234 O ALA A 79 -7.898 -9.810 -5.981 1.00 0.00 O ATOM 1235 CB ALA A 79 -5.651 -8.977 -4.752 1.00 0.00 C ATOM 0 H ALA A 79 -7.119 -6.231 -5.781 1.00 0.00 H new ATOM 0 HA ALA A 79 -5.570 -8.164 -6.748 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -5.589 -10.014 -5.082 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -4.655 -8.620 -4.490 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -6.301 -8.912 -3.879 1.00 0.00 H new ATOM 1241 N GLU A 80 -8.442 -7.805 -6.828 1.00 0.00 N ATOM 1242 CA GLU A 80 -9.782 -8.261 -7.151 1.00 0.00 C ATOM 1243 C GLU A 80 -10.199 -9.174 -6.019 1.00 0.00 C ATOM 1244 O GLU A 80 -10.977 -10.113 -6.187 1.00 0.00 O ATOM 1245 CB GLU A 80 -9.802 -9.010 -8.486 1.00 0.00 C ATOM 1246 CG GLU A 80 -9.159 -8.237 -9.626 1.00 0.00 C ATOM 1247 CD GLU A 80 -7.934 -8.935 -10.184 1.00 0.00 C ATOM 1248 OE1 GLU A 80 -7.757 -10.139 -9.903 1.00 0.00 O ATOM 1249 OE2 GLU A 80 -7.151 -8.277 -10.902 1.00 0.00 O ATOM 0 H GLU A 80 -8.235 -6.837 -7.073 1.00 0.00 H new ATOM 0 HA GLU A 80 -10.467 -7.420 -7.258 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -9.285 -9.962 -8.367 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -10.835 -9.238 -8.750 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -9.889 -8.098 -10.424 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -8.879 -7.244 -9.274 1.00 0.00 H new ATOM 1256 N LYS A 81 -9.606 -8.890 -4.861 1.00 0.00 N ATOM 1257 CA LYS A 81 -9.815 -9.663 -3.657 1.00 0.00 C ATOM 1258 C LYS A 81 -10.140 -8.760 -2.469 1.00 0.00 C ATOM 1259 O LYS A 81 -9.914 -7.550 -2.512 1.00 0.00 O ATOM 1260 CB LYS A 81 -8.548 -10.472 -3.386 1.00 0.00 C ATOM 1261 CG LYS A 81 -8.023 -10.358 -1.968 1.00 0.00 C ATOM 1262 CD LYS A 81 -6.836 -9.409 -1.894 1.00 0.00 C ATOM 1263 CE LYS A 81 -7.263 -7.974 -2.143 1.00 0.00 C ATOM 1264 NZ LYS A 81 -8.191 -7.490 -1.087 1.00 0.00 N ATOM 0 H LYS A 81 -8.963 -8.108 -4.740 1.00 0.00 H new ATOM 0 HA LYS A 81 -10.666 -10.330 -3.794 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -8.748 -11.521 -3.603 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -7.769 -10.147 -4.076 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -8.817 -10.003 -1.311 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -7.727 -11.343 -1.607 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -6.366 -9.486 -0.914 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -6.087 -9.701 -2.630 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -6.383 -7.332 -2.177 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -7.748 -7.901 -3.116 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -9.028 -7.061 -1.531 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -8.486 -8.290 -0.491 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -7.709 -6.780 -0.500 1.00 0.00 H new ATOM 1278 N TYR A 82 -10.682 -9.360 -1.416 1.00 0.00 N ATOM 1279 CA TYR A 82 -11.059 -8.629 -0.211 1.00 0.00 C ATOM 1280 C TYR A 82 -10.978 -7.131 -0.413 1.00 0.00 C ATOM 1281 O TYR A 82 -9.938 -6.516 -0.182 1.00 0.00 O ATOM 1282 CB TYR A 82 -10.180 -8.991 0.983 1.00 0.00 C ATOM 1283 CG TYR A 82 -9.239 -10.141 0.765 1.00 0.00 C ATOM 1284 CD1 TYR A 82 -9.679 -11.452 0.843 1.00 0.00 C ATOM 1285 CD2 TYR A 82 -7.896 -9.909 0.531 1.00 0.00 C ATOM 1286 CE1 TYR A 82 -8.800 -12.504 0.679 1.00 0.00 C ATOM 1287 CE2 TYR A 82 -7.011 -10.948 0.377 1.00 0.00 C ATOM 1288 CZ TYR A 82 -7.464 -12.247 0.449 1.00 0.00 C ATOM 1289 OH TYR A 82 -6.581 -13.290 0.295 1.00 0.00 O ATOM 0 H TYR A 82 -10.872 -10.361 -1.372 1.00 0.00 H new ATOM 0 HA TYR A 82 -12.089 -8.921 -0.006 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -9.596 -8.114 1.262 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -10.825 -9.227 1.829 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -10.723 -11.654 1.034 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -7.537 -8.893 0.468 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -9.156 -13.522 0.730 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -5.965 -10.747 0.200 1.00 0.00 H new ATOM 0 HH TYR A 82 -5.744 -12.956 -0.090 1.00 0.00 H new ATOM 1299 N VAL A 83 -12.087 -6.539 -0.801 1.00 0.00 N ATOM 1300 CA VAL A 83 -12.139 -5.105 -0.983 1.00 0.00 C ATOM 1301 C VAL A 83 -12.461 -4.450 0.352 1.00 0.00 C ATOM 1302 O VAL A 83 -12.918 -5.121 1.278 1.00 0.00 O ATOM 1303 CB VAL A 83 -13.172 -4.703 -2.045 1.00 0.00 C ATOM 1304 CG1 VAL A 83 -12.848 -5.381 -3.366 1.00 0.00 C ATOM 1305 CG2 VAL A 83 -14.572 -5.056 -1.586 1.00 0.00 C ATOM 0 H VAL A 83 -12.962 -7.026 -0.996 1.00 0.00 H new ATOM 0 HA VAL A 83 -11.168 -4.763 -1.340 1.00 0.00 H new ATOM 0 HB VAL A 83 -13.128 -3.623 -2.189 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -13.585 -5.091 -4.114 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -11.855 -5.076 -3.697 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -12.871 -6.463 -3.235 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -15.291 -4.764 -2.352 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -14.639 -6.131 -1.417 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -14.795 -4.528 -0.659 1.00 0.00 H new ATOM 1315 N PHE A 84 -12.198 -3.159 0.475 1.00 0.00 N ATOM 1316 CA PHE A 84 -12.444 -2.474 1.731 1.00 0.00 C ATOM 1317 C PHE A 84 -12.969 -1.063 1.506 1.00 0.00 C ATOM 1318 O PHE A 84 -12.986 -0.562 0.380 1.00 0.00 O ATOM 1319 CB PHE A 84 -11.156 -2.454 2.559 1.00 0.00 C ATOM 1320 CG PHE A 84 -10.475 -3.799 2.627 1.00 0.00 C ATOM 1321 CD1 PHE A 84 -9.567 -4.189 1.650 1.00 0.00 C ATOM 1322 CD2 PHE A 84 -10.752 -4.676 3.663 1.00 0.00 C ATOM 1323 CE1 PHE A 84 -8.950 -5.431 1.710 1.00 0.00 C ATOM 1324 CE2 PHE A 84 -10.141 -5.917 3.725 1.00 0.00 C ATOM 1325 CZ PHE A 84 -9.239 -6.293 2.747 1.00 0.00 C ATOM 0 H PHE A 84 -11.820 -2.572 -0.269 1.00 0.00 H new ATOM 0 HA PHE A 84 -13.215 -3.016 2.278 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -10.467 -1.726 2.131 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -11.386 -2.119 3.570 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -9.339 -3.518 0.835 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -11.453 -4.388 4.432 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -8.245 -5.722 0.946 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -10.369 -6.591 4.537 1.00 0.00 H new ATOM 0 HZ PHE A 84 -8.761 -7.260 2.795 1.00 0.00 H new ATOM 1335 N ASP A 85 -13.410 -0.432 2.589 1.00 0.00 N ATOM 1336 CA ASP A 85 -13.955 0.917 2.525 1.00 0.00 C ATOM 1337 C ASP A 85 -12.870 1.963 2.741 1.00 0.00 C ATOM 1338 O ASP A 85 -13.155 3.159 2.802 1.00 0.00 O ATOM 1339 CB ASP A 85 -15.059 1.091 3.570 1.00 0.00 C ATOM 1340 CG ASP A 85 -15.396 2.548 3.817 1.00 0.00 C ATOM 1341 OD1 ASP A 85 -15.791 3.238 2.853 1.00 0.00 O ATOM 1342 OD2 ASP A 85 -15.266 3.000 4.974 1.00 0.00 O ATOM 0 H ASP A 85 -13.400 -0.836 3.525 1.00 0.00 H new ATOM 0 HA ASP A 85 -14.374 1.061 1.529 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -15.955 0.565 3.240 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -14.745 0.630 4.506 1.00 0.00 H new ATOM 1347 N SER A 86 -11.625 1.512 2.855 1.00 0.00 N ATOM 1348 CA SER A 86 -10.515 2.429 3.063 1.00 0.00 C ATOM 1349 C SER A 86 -9.173 1.701 3.062 1.00 0.00 C ATOM 1350 O SER A 86 -9.058 0.542 3.500 1.00 0.00 O ATOM 1351 CB SER A 86 -10.695 3.189 4.379 1.00 0.00 C ATOM 1352 OG SER A 86 -10.086 2.500 5.457 1.00 0.00 O ATOM 0 H SER A 86 -11.363 0.527 2.807 1.00 0.00 H new ATOM 0 HA SER A 86 -10.513 3.136 2.233 1.00 0.00 H new ATOM 0 HB2 SER A 86 -10.261 4.185 4.289 1.00 0.00 H new ATOM 0 HB3 SER A 86 -11.758 3.322 4.583 1.00 0.00 H new ATOM 0 HG SER A 86 -10.215 3.009 6.285 1.00 0.00 H new ATOM 1358 N ILE A 87 -8.153 2.395 2.575 1.00 0.00 N ATOM 1359 CA ILE A 87 -6.818 1.836 2.523 1.00 0.00 C ATOM 1360 C ILE A 87 -6.403 1.337 3.898 1.00 0.00 C ATOM 1361 O ILE A 87 -5.805 0.277 4.023 1.00 0.00 O ATOM 1362 CB ILE A 87 -5.782 2.866 2.038 1.00 0.00 C ATOM 1363 CG1 ILE A 87 -6.012 3.243 0.576 1.00 0.00 C ATOM 1364 CG2 ILE A 87 -4.377 2.317 2.218 1.00 0.00 C ATOM 1365 CD1 ILE A 87 -7.245 2.618 -0.029 1.00 0.00 C ATOM 0 H ILE A 87 -8.229 3.345 2.212 1.00 0.00 H new ATOM 0 HA ILE A 87 -6.845 1.010 1.813 1.00 0.00 H new ATOM 0 HB ILE A 87 -5.898 3.767 2.640 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -6.091 4.327 0.499 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -5.141 2.944 -0.008 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -3.652 3.053 1.872 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -4.202 2.103 3.272 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -4.268 1.400 1.639 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -7.340 2.933 -1.068 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -7.161 1.532 0.015 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -8.126 2.937 0.529 1.00 0.00 H new ATOM 1377 N PRO A 88 -6.723 2.096 4.961 1.00 0.00 N ATOM 1378 CA PRO A 88 -6.370 1.704 6.325 1.00 0.00 C ATOM 1379 C PRO A 88 -6.846 0.294 6.640 1.00 0.00 C ATOM 1380 O PRO A 88 -6.068 -0.541 7.102 1.00 0.00 O ATOM 1381 CB PRO A 88 -7.088 2.729 7.200 1.00 0.00 C ATOM 1382 CG PRO A 88 -7.308 3.911 6.314 1.00 0.00 C ATOM 1383 CD PRO A 88 -7.446 3.375 4.913 1.00 0.00 C ATOM 0 HA PRO A 88 -5.292 1.691 6.486 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -8.033 2.335 7.574 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -6.487 2.995 8.070 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -8.204 4.457 6.611 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -6.473 4.608 6.382 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -8.491 3.235 4.638 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -7.012 4.054 4.179 1.00 0.00 H new ATOM 1391 N LEU A 89 -8.109 0.007 6.339 1.00 0.00 N ATOM 1392 CA LEU A 89 -8.625 -1.335 6.555 1.00 0.00 C ATOM 1393 C LEU A 89 -8.002 -2.228 5.502 1.00 0.00 C ATOM 1394 O LEU A 89 -7.476 -3.310 5.803 1.00 0.00 O ATOM 1395 CB LEU A 89 -10.155 -1.397 6.465 1.00 0.00 C ATOM 1396 CG LEU A 89 -10.879 -0.053 6.407 1.00 0.00 C ATOM 1397 CD1 LEU A 89 -11.292 0.259 4.978 1.00 0.00 C ATOM 1398 CD2 LEU A 89 -12.095 -0.068 7.321 1.00 0.00 C ATOM 0 H LEU A 89 -8.780 0.672 5.953 1.00 0.00 H new ATOM 0 HA LEU A 89 -8.367 -1.662 7.562 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -10.424 -1.970 5.578 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -10.527 -1.951 7.327 1.00 0.00 H new ATOM 0 HG LEU A 89 -10.199 0.726 6.750 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -11.807 1.219 4.950 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -10.406 0.304 4.345 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -11.960 -0.522 4.614 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -12.601 0.896 7.269 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -12.779 -0.854 7.003 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -11.777 -0.256 8.346 1.00 0.00 H new ATOM 1410 N LEU A 90 -8.021 -1.735 4.263 1.00 0.00 N ATOM 1411 CA LEU A 90 -7.416 -2.457 3.160 1.00 0.00 C ATOM 1412 C LEU A 90 -5.949 -2.713 3.490 1.00 0.00 C ATOM 1413 O LEU A 90 -5.366 -3.720 3.091 1.00 0.00 O ATOM 1414 CB LEU A 90 -7.556 -1.657 1.865 1.00 0.00 C ATOM 1415 CG LEU A 90 -7.169 -2.414 0.595 1.00 0.00 C ATOM 1416 CD1 LEU A 90 -8.108 -2.060 -0.545 1.00 0.00 C ATOM 1417 CD2 LEU A 90 -5.726 -2.112 0.219 1.00 0.00 C ATOM 0 H LEU A 90 -8.447 -0.845 4.006 1.00 0.00 H new ATOM 0 HA LEU A 90 -7.923 -3.411 3.015 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -8.590 -1.324 1.771 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -6.938 -0.762 1.939 1.00 0.00 H new ATOM 0 HG LEU A 90 -7.258 -3.483 0.787 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -7.816 -2.609 -1.440 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -9.129 -2.327 -0.272 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -8.054 -0.989 -0.742 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -5.464 -2.658 -0.687 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -5.612 -1.042 0.044 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -5.067 -2.419 1.031 1.00 0.00 H new ATOM 1429 N ILE A 91 -5.368 -1.795 4.254 1.00 0.00 N ATOM 1430 CA ILE A 91 -3.987 -1.920 4.689 1.00 0.00 C ATOM 1431 C ILE A 91 -3.912 -2.858 5.879 1.00 0.00 C ATOM 1432 O ILE A 91 -3.098 -3.781 5.915 1.00 0.00 O ATOM 1433 CB ILE A 91 -3.379 -0.560 5.075 1.00 0.00 C ATOM 1434 CG1 ILE A 91 -3.369 0.363 3.866 1.00 0.00 C ATOM 1435 CG2 ILE A 91 -1.965 -0.741 5.602 1.00 0.00 C ATOM 1436 CD1 ILE A 91 -2.836 -0.302 2.624 1.00 0.00 C ATOM 0 H ILE A 91 -5.838 -0.952 4.585 1.00 0.00 H new ATOM 0 HA ILE A 91 -3.413 -2.319 3.853 1.00 0.00 H new ATOM 0 HB ILE A 91 -3.989 -0.115 5.861 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -4.383 0.716 3.676 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -2.763 1.241 4.091 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -1.550 0.230 5.870 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -1.984 -1.383 6.483 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -1.346 -1.200 4.832 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -2.854 0.406 1.796 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -1.811 -0.631 2.798 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -3.456 -1.164 2.378 1.00 0.00 H new ATOM 1448 N GLN A 92 -4.783 -2.610 6.852 1.00 0.00 N ATOM 1449 CA GLN A 92 -4.841 -3.424 8.050 1.00 0.00 C ATOM 1450 C GLN A 92 -5.055 -4.888 7.693 1.00 0.00 C ATOM 1451 O GLN A 92 -4.417 -5.771 8.269 1.00 0.00 O ATOM 1452 CB GLN A 92 -5.959 -2.935 8.972 1.00 0.00 C ATOM 1453 CG GLN A 92 -5.594 -1.691 9.768 1.00 0.00 C ATOM 1454 CD GLN A 92 -4.563 -0.822 9.071 1.00 0.00 C ATOM 1455 OE1 GLN A 92 -4.874 0.273 8.602 1.00 0.00 O ATOM 1456 NE2 GLN A 92 -3.327 -1.301 9.007 1.00 0.00 N ATOM 0 H GLN A 92 -5.459 -1.847 6.829 1.00 0.00 H new ATOM 0 HA GLN A 92 -3.890 -3.332 8.574 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -6.846 -2.726 8.374 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -6.223 -3.734 9.664 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -6.495 -1.104 9.947 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -5.209 -1.990 10.743 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -3.112 -2.214 9.409 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -2.592 -0.757 8.556 1.00 0.00 H new ATOM 1465 N TYR A 93 -5.947 -5.154 6.738 1.00 0.00 N ATOM 1466 CA TYR A 93 -6.203 -6.532 6.334 1.00 0.00 C ATOM 1467 C TYR A 93 -4.946 -7.155 5.732 1.00 0.00 C ATOM 1468 O TYR A 93 -4.622 -8.304 6.032 1.00 0.00 O ATOM 1469 CB TYR A 93 -7.376 -6.625 5.354 1.00 0.00 C ATOM 1470 CG TYR A 93 -6.963 -6.646 3.903 1.00 0.00 C ATOM 1471 CD1 TYR A 93 -6.753 -5.462 3.221 1.00 0.00 C ATOM 1472 CD2 TYR A 93 -6.789 -7.843 3.213 1.00 0.00 C ATOM 1473 CE1 TYR A 93 -6.379 -5.457 1.893 1.00 0.00 C ATOM 1474 CE2 TYR A 93 -6.419 -7.846 1.885 1.00 0.00 C ATOM 1475 CZ TYR A 93 -6.214 -6.650 1.229 1.00 0.00 C ATOM 1476 OH TYR A 93 -5.849 -6.648 -0.097 1.00 0.00 O ATOM 0 H TYR A 93 -6.492 -4.450 6.241 1.00 0.00 H new ATOM 0 HA TYR A 93 -6.478 -7.093 7.227 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -7.947 -7.527 5.572 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -8.042 -5.778 5.519 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -6.884 -4.523 3.738 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -6.946 -8.781 3.725 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -6.217 -4.522 1.378 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -6.290 -8.781 1.360 1.00 0.00 H new ATOM 0 HH TYR A 93 -4.890 -6.461 -0.172 1.00 0.00 H new ATOM 1486 N HIS A 94 -4.216 -6.399 4.904 1.00 0.00 N ATOM 1487 CA HIS A 94 -2.990 -6.924 4.321 1.00 0.00 C ATOM 1488 C HIS A 94 -1.858 -6.830 5.337 1.00 0.00 C ATOM 1489 O HIS A 94 -0.861 -7.542 5.242 1.00 0.00 O ATOM 1490 CB HIS A 94 -2.631 -6.180 3.037 1.00 0.00 C ATOM 1491 CG HIS A 94 -3.088 -6.872 1.795 1.00 0.00 C ATOM 1492 ND1 HIS A 94 -4.061 -7.845 1.799 1.00 0.00 N ATOM 1493 CD2 HIS A 94 -2.728 -6.705 0.500 1.00 0.00 C ATOM 1494 CE1 HIS A 94 -4.289 -8.244 0.561 1.00 0.00 C ATOM 1495 NE2 HIS A 94 -3.490 -7.570 -0.246 1.00 0.00 N ATOM 0 H HIS A 94 -4.450 -5.445 4.631 1.00 0.00 H new ATOM 0 HA HIS A 94 -3.146 -7.971 4.061 1.00 0.00 H new ATOM 0 HB2 HIS A 94 -3.071 -5.183 3.070 1.00 0.00 H new ATOM 0 HB3 HIS A 94 -1.550 -6.050 2.993 1.00 0.00 H new ATOM 0 HD1 HIS A 94 -4.533 -8.203 2.629 1.00 0.00 H new ATOM 0 HD2 HIS A 94 -1.982 -6.020 0.125 1.00 0.00 H new ATOM 0 HE1 HIS A 94 -5.006 -8.993 0.260 1.00 0.00 H new ATOM 1504 N GLN A 95 -2.036 -5.956 6.323 1.00 0.00 N ATOM 1505 CA GLN A 95 -1.048 -5.772 7.381 1.00 0.00 C ATOM 1506 C GLN A 95 -1.073 -6.958 8.338 1.00 0.00 C ATOM 1507 O GLN A 95 -0.059 -7.312 8.937 1.00 0.00 O ATOM 1508 CB GLN A 95 -1.334 -4.482 8.150 1.00 0.00 C ATOM 1509 CG GLN A 95 -0.201 -3.472 8.103 1.00 0.00 C ATOM 1510 CD GLN A 95 -0.053 -2.701 9.400 1.00 0.00 C ATOM 1511 OE1 GLN A 95 -0.522 -1.458 9.406 1.00 0.00 O flip ATOM 1512 NE2 GLN A 95 0.475 -3.215 10.385 1.00 0.00 N flip ATOM 0 H GLN A 95 -2.860 -5.361 6.411 1.00 0.00 H new ATOM 0 HA GLN A 95 -0.060 -5.704 6.926 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -2.235 -4.021 7.745 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -1.543 -4.730 9.191 1.00 0.00 H new ATOM 0 HG2 GLN A 95 0.733 -3.989 7.884 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -0.377 -2.772 7.286 1.00 0.00 H new ATOM 0 HE21 GLN A 95 0.822 -4.173 10.336 1.00 0.00 H new ATOM 0 HE22 GLN A 95 0.566 -2.683 11.251 1.00 0.00 H new ATOM 1521 N TYR A 96 -2.250 -7.563 8.476 1.00 0.00 N ATOM 1522 CA TYR A 96 -2.429 -8.707 9.359 1.00 0.00 C ATOM 1523 C TYR A 96 -2.837 -9.949 8.576 1.00 0.00 C ATOM 1524 O TYR A 96 -2.793 -11.064 9.096 1.00 0.00 O ATOM 1525 CB TYR A 96 -3.491 -8.389 10.412 1.00 0.00 C ATOM 1526 CG TYR A 96 -3.006 -7.457 11.497 1.00 0.00 C ATOM 1527 CD1 TYR A 96 -2.549 -6.185 11.186 1.00 0.00 C ATOM 1528 CD2 TYR A 96 -3.005 -7.848 12.829 1.00 0.00 C ATOM 1529 CE1 TYR A 96 -2.104 -5.326 12.170 1.00 0.00 C ATOM 1530 CE2 TYR A 96 -2.561 -6.996 13.822 1.00 0.00 C ATOM 1531 CZ TYR A 96 -2.112 -5.736 13.487 1.00 0.00 C ATOM 1532 OH TYR A 96 -1.668 -4.883 14.472 1.00 0.00 O ATOM 0 H TYR A 96 -3.096 -7.277 7.984 1.00 0.00 H new ATOM 0 HA TYR A 96 -1.476 -8.910 9.849 1.00 0.00 H new ATOM 0 HB2 TYR A 96 -4.356 -7.943 9.921 1.00 0.00 H new ATOM 0 HB3 TYR A 96 -3.829 -9.320 10.868 1.00 0.00 H new ATOM 0 HD1 TYR A 96 -2.541 -5.861 10.156 1.00 0.00 H new ATOM 0 HD2 TYR A 96 -3.357 -8.834 13.093 1.00 0.00 H new ATOM 0 HE1 TYR A 96 -1.752 -4.339 11.911 1.00 0.00 H new ATOM 0 HE2 TYR A 96 -2.566 -7.315 14.854 1.00 0.00 H new ATOM 0 HH TYR A 96 -1.740 -5.324 15.344 1.00 0.00 H new ATOM 1542 N ASN A 97 -3.244 -9.750 7.328 1.00 0.00 N ATOM 1543 CA ASN A 97 -3.670 -10.857 6.481 1.00 0.00 C ATOM 1544 C ASN A 97 -2.766 -10.998 5.261 1.00 0.00 C ATOM 1545 O ASN A 97 -2.440 -10.013 4.598 1.00 0.00 O ATOM 1546 CB ASN A 97 -5.120 -10.649 6.044 1.00 0.00 C ATOM 1547 CG ASN A 97 -5.942 -9.960 7.115 1.00 0.00 C ATOM 1548 OD1 ASN A 97 -5.406 -9.499 8.123 1.00 0.00 O ATOM 1549 ND2 ASN A 97 -7.250 -9.886 6.906 1.00 0.00 N ATOM 0 H ASN A 97 -3.288 -8.834 6.881 1.00 0.00 H new ATOM 0 HA ASN A 97 -3.597 -11.778 7.060 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -5.142 -10.054 5.131 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -5.569 -11.613 5.806 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -7.852 -9.434 7.594 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -7.654 -10.281 6.057 1.00 0.00 H new ATOM 1556 N GLY A 98 -2.362 -12.231 4.976 1.00 0.00 N ATOM 1557 CA GLY A 98 -1.495 -12.488 3.842 1.00 0.00 C ATOM 1558 C GLY A 98 -1.859 -11.660 2.625 1.00 0.00 C ATOM 1559 O GLY A 98 -1.227 -10.642 2.347 1.00 0.00 O ATOM 0 H GLY A 98 -2.621 -13.059 5.512 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -0.463 -12.277 4.124 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -1.545 -13.546 3.584 1.00 0.00 H new ATOM 1563 N GLY A 99 -2.878 -12.102 1.895 1.00 0.00 N ATOM 1564 CA GLY A 99 -3.301 -11.386 0.708 1.00 0.00 C ATOM 1565 C GLY A 99 -2.750 -12.008 -0.560 1.00 0.00 C ATOM 1566 O GLY A 99 -3.456 -12.128 -1.561 1.00 0.00 O ATOM 0 H GLY A 99 -3.417 -12.942 2.105 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -4.390 -11.373 0.662 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -2.973 -10.349 0.775 1.00 0.00 H new ATOM 1570 N GLY A 100 -1.484 -12.412 -0.513 1.00 0.00 N ATOM 1571 CA GLY A 100 -0.858 -13.030 -1.667 1.00 0.00 C ATOM 1572 C GLY A 100 0.022 -12.068 -2.442 1.00 0.00 C ATOM 1573 O GLY A 100 -0.095 -11.960 -3.663 1.00 0.00 O ATOM 0 H GLY A 100 -0.881 -12.322 0.304 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -0.259 -13.879 -1.339 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -1.631 -13.422 -2.328 1.00 0.00 H new ATOM 1577 N LEU A 101 0.910 -11.371 -1.738 1.00 0.00 N ATOM 1578 CA LEU A 101 1.810 -10.422 -2.381 1.00 0.00 C ATOM 1579 C LEU A 101 3.209 -10.482 -1.773 1.00 0.00 C ATOM 1580 O LEU A 101 3.491 -11.320 -0.916 1.00 0.00 O ATOM 1581 CB LEU A 101 1.255 -9.001 -2.277 1.00 0.00 C ATOM 1582 CG LEU A 101 0.048 -8.825 -1.350 1.00 0.00 C ATOM 1583 CD1 LEU A 101 0.330 -7.744 -0.317 1.00 0.00 C ATOM 1584 CD2 LEU A 101 -1.196 -8.479 -2.156 1.00 0.00 C ATOM 0 H LEU A 101 1.024 -11.446 -0.727 1.00 0.00 H new ATOM 0 HA LEU A 101 1.884 -10.699 -3.433 1.00 0.00 H new ATOM 0 HB2 LEU A 101 2.053 -8.343 -1.933 1.00 0.00 H new ATOM 0 HB3 LEU A 101 0.975 -8.666 -3.276 1.00 0.00 H new ATOM 0 HG LEU A 101 -0.130 -9.766 -0.829 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -0.536 -7.629 0.335 1.00 0.00 H new ATOM 0 HD12 LEU A 101 1.198 -8.027 0.279 1.00 0.00 H new ATOM 0 HD13 LEU A 101 0.530 -6.800 -0.824 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -2.044 -8.357 -1.482 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -1.030 -7.550 -2.701 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -1.406 -9.282 -2.863 1.00 0.00 H new ATOM 1596 N VAL A 102 4.083 -9.587 -2.228 1.00 0.00 N ATOM 1597 CA VAL A 102 5.459 -9.532 -1.740 1.00 0.00 C ATOM 1598 C VAL A 102 5.551 -9.974 -0.284 1.00 0.00 C ATOM 1599 O VAL A 102 6.477 -10.687 0.100 1.00 0.00 O ATOM 1600 CB VAL A 102 6.051 -8.115 -1.877 1.00 0.00 C ATOM 1601 CG1 VAL A 102 5.306 -7.324 -2.941 1.00 0.00 C ATOM 1602 CG2 VAL A 102 6.022 -7.383 -0.541 1.00 0.00 C ATOM 0 H VAL A 102 3.862 -8.888 -2.937 1.00 0.00 H new ATOM 0 HA VAL A 102 6.037 -10.219 -2.358 1.00 0.00 H new ATOM 0 HB VAL A 102 7.092 -8.210 -2.187 1.00 0.00 H new ATOM 0 HG11 VAL A 102 5.739 -6.327 -3.023 1.00 0.00 H new ATOM 0 HG12 VAL A 102 5.390 -7.836 -3.900 1.00 0.00 H new ATOM 0 HG13 VAL A 102 4.255 -7.242 -2.664 1.00 0.00 H new ATOM 0 HG21 VAL A 102 6.445 -6.386 -0.663 1.00 0.00 H new ATOM 0 HG22 VAL A 102 4.992 -7.300 -0.194 1.00 0.00 H new ATOM 0 HG23 VAL A 102 6.608 -7.938 0.191 1.00 0.00 H new ATOM 1612 N THR A 103 4.588 -9.544 0.521 1.00 0.00 N ATOM 1613 CA THR A 103 4.563 -9.894 1.935 1.00 0.00 C ATOM 1614 C THR A 103 3.517 -9.068 2.676 1.00 0.00 C ATOM 1615 O THR A 103 3.750 -8.619 3.798 1.00 0.00 O ATOM 1616 CB THR A 103 5.941 -9.678 2.565 1.00 0.00 C ATOM 1617 OG1 THR A 103 5.821 -9.390 3.947 1.00 0.00 O ATOM 1618 CG2 THR A 103 6.725 -8.548 1.929 1.00 0.00 C ATOM 0 H THR A 103 3.814 -8.952 0.219 1.00 0.00 H new ATOM 0 HA THR A 103 4.299 -10.948 2.018 1.00 0.00 H new ATOM 0 HB THR A 103 6.481 -10.610 2.399 1.00 0.00 H new ATOM 0 HG1 THR A 103 4.875 -9.278 4.177 1.00 0.00 H new ATOM 0 HG21 THR A 103 7.691 -8.451 2.425 1.00 0.00 H new ATOM 0 HG22 THR A 103 6.880 -8.763 0.872 1.00 0.00 H new ATOM 0 HG23 THR A 103 6.169 -7.616 2.033 1.00 0.00 H new ATOM 1626 N ARG A 104 2.363 -8.875 2.042 1.00 0.00 N ATOM 1627 CA ARG A 104 1.282 -8.105 2.641 1.00 0.00 C ATOM 1628 C ARG A 104 1.830 -6.886 3.372 1.00 0.00 C ATOM 1629 O ARG A 104 3.042 -6.676 3.421 1.00 0.00 O ATOM 1630 CB ARG A 104 0.487 -8.979 3.610 1.00 0.00 C ATOM 1631 CG ARG A 104 1.051 -10.381 3.782 1.00 0.00 C ATOM 1632 CD ARG A 104 1.108 -10.781 5.248 1.00 0.00 C ATOM 1633 NE ARG A 104 2.473 -11.058 5.688 1.00 0.00 N ATOM 1634 CZ ARG A 104 3.152 -10.279 6.526 1.00 0.00 C ATOM 1635 NH1 ARG A 104 2.594 -9.178 7.014 1.00 0.00 N ATOM 1636 NH2 ARG A 104 4.388 -10.602 6.878 1.00 0.00 N ATOM 0 H ARG A 104 2.155 -9.242 1.113 1.00 0.00 H new ATOM 0 HA ARG A 104 0.622 -7.764 1.844 1.00 0.00 H new ATOM 0 HB2 ARG A 104 0.455 -8.489 4.583 1.00 0.00 H new ATOM 0 HB3 ARG A 104 -0.542 -9.053 3.257 1.00 0.00 H new ATOM 0 HG2 ARG A 104 0.434 -11.093 3.233 1.00 0.00 H new ATOM 0 HG3 ARG A 104 2.051 -10.428 3.352 1.00 0.00 H new ATOM 0 HD2 ARG A 104 0.686 -9.983 5.858 1.00 0.00 H new ATOM 0 HD3 ARG A 104 0.490 -11.665 5.407 1.00 0.00 H new ATOM 0 HE ARG A 104 2.932 -11.897 5.332 1.00 0.00 H new ATOM 0 HH11 ARG A 104 1.642 -8.927 6.747 1.00 0.00 H new ATOM 0 HH12 ARG A 104 3.117 -8.583 7.656 1.00 0.00 H new ATOM 0 HH21 ARG A 104 4.819 -11.448 6.506 1.00 0.00 H new ATOM 0 HH22 ARG A 104 4.908 -10.004 7.520 1.00 0.00 H new ATOM 1650 N LEU A 105 0.939 -6.088 3.950 1.00 0.00 N ATOM 1651 CA LEU A 105 1.358 -4.903 4.687 1.00 0.00 C ATOM 1652 C LEU A 105 2.264 -5.307 5.846 1.00 0.00 C ATOM 1653 O LEU A 105 1.938 -5.095 7.012 1.00 0.00 O ATOM 1654 CB LEU A 105 0.143 -4.121 5.199 1.00 0.00 C ATOM 1655 CG LEU A 105 -0.524 -3.226 4.168 1.00 0.00 C ATOM 1656 CD1 LEU A 105 0.463 -2.863 3.094 1.00 0.00 C ATOM 1657 CD2 LEU A 105 -1.725 -3.900 3.548 1.00 0.00 C ATOM 0 H LEU A 105 -0.069 -6.239 3.923 1.00 0.00 H new ATOM 0 HA LEU A 105 1.915 -4.252 4.013 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -0.595 -4.830 5.575 1.00 0.00 H new ATOM 0 HB3 LEU A 105 0.454 -3.507 6.044 1.00 0.00 H new ATOM 0 HG LEU A 105 -0.865 -2.324 4.675 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -0.020 -2.221 2.357 1.00 0.00 H new ATOM 0 HD12 LEU A 105 1.306 -2.334 3.538 1.00 0.00 H new ATOM 0 HD13 LEU A 105 0.820 -3.770 2.606 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -2.179 -3.233 2.815 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -1.412 -4.821 3.056 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -2.453 -4.134 4.325 1.00 0.00 H new ATOM 1669 N ARG A 106 3.400 -5.909 5.504 1.00 0.00 N ATOM 1670 CA ARG A 106 4.361 -6.369 6.500 1.00 0.00 C ATOM 1671 C ARG A 106 4.791 -5.243 7.434 1.00 0.00 C ATOM 1672 O ARG A 106 4.934 -5.449 8.639 1.00 0.00 O ATOM 1673 CB ARG A 106 5.588 -6.964 5.810 1.00 0.00 C ATOM 1674 CG ARG A 106 6.272 -8.055 6.617 1.00 0.00 C ATOM 1675 CD ARG A 106 5.860 -8.008 8.080 1.00 0.00 C ATOM 1676 NE ARG A 106 6.558 -9.012 8.877 1.00 0.00 N ATOM 1677 CZ ARG A 106 6.654 -8.963 10.202 1.00 0.00 C ATOM 1678 NH1 ARG A 106 6.099 -7.963 10.872 1.00 0.00 N ATOM 1679 NH2 ARG A 106 7.306 -9.915 10.857 1.00 0.00 N ATOM 0 H ARG A 106 3.678 -6.090 4.539 1.00 0.00 H new ATOM 0 HA ARG A 106 3.870 -7.134 7.101 1.00 0.00 H new ATOM 0 HB2 ARG A 106 5.289 -7.372 4.844 1.00 0.00 H new ATOM 0 HB3 ARG A 106 6.305 -6.167 5.612 1.00 0.00 H new ATOM 0 HG2 ARG A 106 6.021 -9.030 6.199 1.00 0.00 H new ATOM 0 HG3 ARG A 106 7.353 -7.943 6.539 1.00 0.00 H new ATOM 0 HD2 ARG A 106 6.067 -7.017 8.483 1.00 0.00 H new ATOM 0 HD3 ARG A 106 4.784 -8.166 8.159 1.00 0.00 H new ATOM 0 HE ARG A 106 6.996 -9.794 8.391 1.00 0.00 H new ATOM 0 HH11 ARG A 106 5.597 -7.230 10.371 1.00 0.00 H new ATOM 0 HH12 ARG A 106 6.173 -7.927 11.889 1.00 0.00 H new ATOM 0 HH21 ARG A 106 7.734 -10.686 10.344 1.00 0.00 H new ATOM 0 HH22 ARG A 106 7.379 -9.876 11.874 1.00 0.00 H new ATOM 1693 N TYR A 107 5.010 -4.057 6.877 1.00 0.00 N ATOM 1694 CA TYR A 107 5.439 -2.917 7.681 1.00 0.00 C ATOM 1695 C TYR A 107 5.240 -1.602 6.939 1.00 0.00 C ATOM 1696 O TYR A 107 6.073 -1.208 6.123 1.00 0.00 O ATOM 1697 CB TYR A 107 6.910 -3.071 8.063 1.00 0.00 C ATOM 1698 CG TYR A 107 7.426 -1.949 8.930 1.00 0.00 C ATOM 1699 CD1 TYR A 107 6.923 -1.752 10.209 1.00 0.00 C ATOM 1700 CD2 TYR A 107 8.414 -1.089 8.473 1.00 0.00 C ATOM 1701 CE1 TYR A 107 7.391 -0.729 11.008 1.00 0.00 C ATOM 1702 CE2 TYR A 107 8.889 -0.066 9.267 1.00 0.00 C ATOM 1703 CZ TYR A 107 8.374 0.113 10.534 1.00 0.00 C ATOM 1704 OH TYR A 107 8.845 1.134 11.327 1.00 0.00 O ATOM 0 H TYR A 107 4.899 -3.860 5.882 1.00 0.00 H new ATOM 0 HA TYR A 107 4.824 -2.896 8.581 1.00 0.00 H new ATOM 0 HB2 TYR A 107 7.044 -4.017 8.588 1.00 0.00 H new ATOM 0 HB3 TYR A 107 7.510 -3.123 7.154 1.00 0.00 H new ATOM 0 HD1 TYR A 107 6.153 -2.410 10.584 1.00 0.00 H new ATOM 0 HD2 TYR A 107 8.817 -1.223 7.480 1.00 0.00 H new ATOM 0 HE1 TYR A 107 6.989 -0.589 12.000 1.00 0.00 H new ATOM 0 HE2 TYR A 107 9.661 0.592 8.898 1.00 0.00 H new ATOM 0 HH TYR A 107 9.536 1.632 10.843 1.00 0.00 H new ATOM 1714 N PRO A 108 4.138 -0.897 7.223 1.00 0.00 N ATOM 1715 CA PRO A 108 3.833 0.387 6.593 1.00 0.00 C ATOM 1716 C PRO A 108 4.992 1.374 6.706 1.00 0.00 C ATOM 1717 O PRO A 108 5.257 1.920 7.777 1.00 0.00 O ATOM 1718 CB PRO A 108 2.611 0.893 7.372 1.00 0.00 C ATOM 1719 CG PRO A 108 2.546 0.046 8.597 1.00 0.00 C ATOM 1720 CD PRO A 108 3.103 -1.283 8.188 1.00 0.00 C ATOM 0 HA PRO A 108 3.652 0.283 5.523 1.00 0.00 H new ATOM 0 HB2 PRO A 108 2.717 1.947 7.628 1.00 0.00 H new ATOM 0 HB3 PRO A 108 1.701 0.799 6.780 1.00 0.00 H new ATOM 0 HG2 PRO A 108 3.127 0.483 9.409 1.00 0.00 H new ATOM 0 HG3 PRO A 108 1.521 -0.050 8.955 1.00 0.00 H new ATOM 0 HD2 PRO A 108 3.518 -1.829 9.035 1.00 0.00 H new ATOM 0 HD3 PRO A 108 2.344 -1.922 7.738 1.00 0.00 H new ATOM 1728 N VAL A 109 5.677 1.594 5.590 1.00 0.00 N ATOM 1729 CA VAL A 109 6.806 2.505 5.537 1.00 0.00 C ATOM 1730 C VAL A 109 6.339 3.943 5.363 1.00 0.00 C ATOM 1731 O VAL A 109 5.607 4.257 4.425 1.00 0.00 O ATOM 1732 CB VAL A 109 7.737 2.141 4.369 1.00 0.00 C ATOM 1733 CG1 VAL A 109 7.540 3.109 3.215 1.00 0.00 C ATOM 1734 CG2 VAL A 109 9.186 2.114 4.824 1.00 0.00 C ATOM 0 H VAL A 109 5.463 1.145 4.699 1.00 0.00 H new ATOM 0 HA VAL A 109 7.345 2.414 6.480 1.00 0.00 H new ATOM 0 HB VAL A 109 7.482 1.141 4.019 1.00 0.00 H new ATOM 0 HG11 VAL A 109 8.206 2.839 2.396 1.00 0.00 H new ATOM 0 HG12 VAL A 109 6.506 3.062 2.873 1.00 0.00 H new ATOM 0 HG13 VAL A 109 7.766 4.122 3.547 1.00 0.00 H new ATOM 0 HG21 VAL A 109 9.827 1.854 3.982 1.00 0.00 H new ATOM 0 HG22 VAL A 109 9.466 3.096 5.204 1.00 0.00 H new ATOM 0 HG23 VAL A 109 9.306 1.372 5.613 1.00 0.00 H new ATOM 1744 N CYS A 110 6.766 4.816 6.265 1.00 0.00 N ATOM 1745 CA CYS A 110 6.388 6.219 6.194 1.00 0.00 C ATOM 1746 C CYS A 110 7.599 7.088 5.878 1.00 0.00 C ATOM 1747 O CYS A 110 8.273 7.592 6.776 1.00 0.00 O ATOM 1748 CB CYS A 110 5.740 6.664 7.507 1.00 0.00 C ATOM 1749 SG CYS A 110 6.916 7.089 8.813 1.00 0.00 S ATOM 0 H CYS A 110 7.371 4.578 7.051 1.00 0.00 H new ATOM 0 HA CYS A 110 5.662 6.338 5.390 1.00 0.00 H new ATOM 0 HB2 CYS A 110 5.106 7.528 7.310 1.00 0.00 H new ATOM 0 HB3 CYS A 110 5.090 5.866 7.866 1.00 0.00 H new ATOM 0 HG CYS A 110 7.914 7.747 8.301 1.00 0.00 H new ATOM 1755 N GLY A 111 7.869 7.257 4.588 1.00 0.00 N ATOM 1756 CA GLY A 111 8.997 8.065 4.165 1.00 0.00 C ATOM 1757 C GLY A 111 10.241 7.801 4.990 1.00 0.00 C ATOM 1758 O GLY A 111 10.542 6.654 5.322 1.00 0.00 O ATOM 0 H GLY A 111 7.326 6.848 3.827 1.00 0.00 H new ATOM 0 HA2 GLY A 111 9.211 7.863 3.115 1.00 0.00 H new ATOM 0 HA3 GLY A 111 8.733 9.120 4.239 1.00 0.00 H new HETATM 1762 N NH2 A 112 10.975 8.857 5.325 1.00 0.00 N TER 1765 NH2 A 112