USER MOD reduce.3.24.130724 H: found=0, std=0, add=840, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 840 hydrogens (0 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 97 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 104 GLN : amide:sc= -2.17! K(o=-2.2!,f=-0.0062) USER MOD Set 2.1: A 52 LYS NZ :NH3+ 145:sc= -3.14! (180deg=0) USER MOD Set 2.2: A 71 LYS NZ :NH3+ 157:sc= -5.03! (180deg=-2) USER MOD Set 3.1: A 66 ASN : amide:sc= -1.78! K(o=-2.4!,f=-0.76) USER MOD Set 3.2: A 67 ASN : amide:sc= -0.615! C(o=-2.4!,f=-3.6!) USER MOD Set 4.1: A 50 SER OG : rot 180:sc= 0.228 USER MOD Set 4.2: A 51 THR OG1 : rot 180:sc= 0.202 USER MOD Set 5.1: A 39 THR OG1 : rot 180:sc= -0.677! USER MOD Set 5.2: A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= 0 K(o=0,f=-0.68) USER MOD Single : A 23 TYR OH : rot 80:sc= -0.382 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 33 ASN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 54 HIS : no HE2:sc= -6.01! C(o=-6!,f=-9!) USER MOD Single : A 57 TYR OH : rot -83:sc= 0.237 USER MOD Single : A 58 THR OG1 : rot 37:sc= 0.258 USER MOD Single : A 60 THR OG1 : rot 33:sc= -0.685 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 HIS : no HE2:sc= -7.44! C(o=-7.4!,f=-11!) USER MOD Single : A 78 LYS NZ :NH3+ 147:sc= -0.212 (180deg=-0.82) USER MOD Single : A 79 TYR OH : rot -142:sc= 0.561 USER MOD Single : A 82 SER OG : rot 150:sc= -0.51 USER MOD Single : A 86 THR OG1 : rot -49:sc= 0.556 USER MOD Single : A 88 ASN : amide:sc= -1.9! C(o=-1.9!,f=-1.5!) USER MOD Single : A 89 SER OG : rot 130:sc= -1.25! USER MOD Single : A 95 ASN : amide:sc= -0.942! C(o=-0.94!,f=-3.4!) USER MOD Single : A 96 HIS : no HD1:sc= -1.88! K(o=-1.9!,f=-1.1) USER MOD Single : A 99 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 101 SER OG : rot 71:sc= -0.377 USER MOD Single : A 105 TYR OH : rot 30:sc= -0.393 USER MOD Single : A 106 ASN : amide:sc= -0.743 K(o=-0.74,f=-1.6) USER MOD Single : A 108 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.127) USER MOD Single : A 112 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0133) USER MOD Single : A 115 TYR OH : rot 180:sc= 0 USER MOD Single : A 118 SER OG : rot 150:sc= -0.0254 USER MOD Single : A 119 LYS NZ :NH3+ -162:sc= 0 (180deg=-0.00502) USER MOD Single : A 120 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 17 1.305 -9.131 -14.439 1.00 0.00 N ATOM 2 CA LEU A 17 2.262 -8.396 -13.575 1.00 0.00 C ATOM 3 C LEU A 17 3.647 -9.010 -13.702 1.00 0.00 C ATOM 4 O LEU A 17 4.303 -9.311 -12.723 1.00 0.00 O ATOM 5 CB LEU A 17 1.796 -8.473 -12.098 1.00 0.00 C ATOM 6 CG LEU A 17 2.094 -7.152 -11.372 1.00 0.00 C ATOM 7 CD1 LEU A 17 1.237 -7.081 -10.124 1.00 0.00 C ATOM 8 CD2 LEU A 17 3.567 -7.100 -10.981 1.00 0.00 C ATOM 0 HA LEU A 17 2.300 -7.353 -13.890 1.00 0.00 H new ATOM 0 HB2 LEU A 17 0.727 -8.684 -12.058 1.00 0.00 H new ATOM 0 HB3 LEU A 17 2.303 -9.295 -11.593 1.00 0.00 H new ATOM 0 HG LEU A 17 1.871 -6.311 -12.028 1.00 0.00 H new ATOM 0 HD11 LEU A 17 1.438 -6.148 -9.597 1.00 0.00 H new ATOM 0 HD12 LEU A 17 0.184 -7.121 -10.403 1.00 0.00 H new ATOM 0 HD13 LEU A 17 1.472 -7.923 -9.473 1.00 0.00 H new ATOM 0 HD21 LEU A 17 3.774 -6.162 -10.466 1.00 0.00 H new ATOM 0 HD22 LEU A 17 3.798 -7.935 -10.319 1.00 0.00 H new ATOM 0 HD23 LEU A 17 4.184 -7.166 -11.877 1.00 0.00 H new ATOM 22 N GLN A 18 4.074 -9.171 -14.913 1.00 0.00 N ATOM 23 CA GLN A 18 5.404 -9.759 -15.138 1.00 0.00 C ATOM 24 C GLN A 18 6.473 -8.777 -14.716 1.00 0.00 C ATOM 25 O GLN A 18 7.607 -9.141 -14.481 1.00 0.00 O ATOM 26 CB GLN A 18 5.552 -10.054 -16.638 1.00 0.00 C ATOM 27 CG GLN A 18 6.963 -10.571 -16.916 1.00 0.00 C ATOM 28 CD GLN A 18 7.032 -11.089 -18.353 1.00 0.00 C ATOM 29 OE1 GLN A 18 6.331 -10.620 -19.228 1.00 0.00 O ATOM 30 NE2 GLN A 18 7.860 -12.054 -18.640 1.00 0.00 N ATOM 0 H GLN A 18 3.557 -8.920 -15.756 1.00 0.00 H new ATOM 0 HA GLN A 18 5.511 -10.675 -14.556 1.00 0.00 H new ATOM 0 HB2 GLN A 18 4.814 -10.793 -16.949 1.00 0.00 H new ATOM 0 HB3 GLN A 18 5.363 -9.151 -17.218 1.00 0.00 H new ATOM 0 HG2 GLN A 18 7.691 -9.774 -16.768 1.00 0.00 H new ATOM 0 HG3 GLN A 18 7.216 -11.368 -16.217 1.00 0.00 H new ATOM 0 HE21 GLN A 18 8.451 -12.452 -17.911 1.00 0.00 H new ATOM 0 HE22 GLN A 18 7.917 -12.411 -19.594 1.00 0.00 H new ATOM 39 N ASP A 19 6.086 -7.543 -14.625 1.00 0.00 N ATOM 40 CA ASP A 19 7.042 -6.505 -14.222 1.00 0.00 C ATOM 41 C ASP A 19 6.312 -5.243 -13.813 1.00 0.00 C ATOM 42 O ASP A 19 6.836 -4.419 -13.091 1.00 0.00 O ATOM 43 CB ASP A 19 7.923 -6.192 -15.419 1.00 0.00 C ATOM 44 CG ASP A 19 9.395 -6.311 -15.019 1.00 0.00 C ATOM 45 OD1 ASP A 19 9.728 -7.353 -14.481 1.00 0.00 O ATOM 46 OD2 ASP A 19 10.104 -5.350 -15.274 1.00 0.00 O ATOM 0 H ASP A 19 5.140 -7.213 -14.815 1.00 0.00 H new ATOM 0 HA ASP A 19 7.632 -6.859 -13.377 1.00 0.00 H new ATOM 0 HB2 ASP A 19 7.701 -6.879 -16.236 1.00 0.00 H new ATOM 0 HB3 ASP A 19 7.715 -5.186 -15.783 1.00 0.00 H new ATOM 51 N ALA A 20 5.112 -5.118 -14.288 1.00 0.00 N ATOM 52 CA ALA A 20 4.306 -3.915 -13.948 1.00 0.00 C ATOM 53 C ALA A 20 5.104 -2.635 -14.181 1.00 0.00 C ATOM 54 O ALA A 20 6.244 -2.682 -14.600 1.00 0.00 O ATOM 55 CB ALA A 20 3.935 -3.985 -12.464 1.00 0.00 C ATOM 0 H ALA A 20 4.651 -5.794 -14.897 1.00 0.00 H new ATOM 0 HA ALA A 20 3.419 -3.898 -14.582 1.00 0.00 H new ATOM 0 HB1 ALA A 20 3.343 -3.110 -12.195 1.00 0.00 H new ATOM 0 HB2 ALA A 20 3.354 -4.888 -12.276 1.00 0.00 H new ATOM 0 HB3 ALA A 20 4.844 -4.007 -11.862 1.00 0.00 H new ATOM 61 N GLU A 21 4.478 -1.511 -13.899 1.00 0.00 N ATOM 62 CA GLU A 21 5.168 -0.203 -14.090 1.00 0.00 C ATOM 63 C GLU A 21 5.201 0.583 -12.780 1.00 0.00 C ATOM 64 O GLU A 21 6.214 1.144 -12.419 1.00 0.00 O ATOM 65 CB GLU A 21 4.389 0.607 -15.141 1.00 0.00 C ATOM 66 CG GLU A 21 4.707 2.095 -14.970 1.00 0.00 C ATOM 67 CD GLU A 21 4.385 2.833 -16.271 1.00 0.00 C ATOM 68 OE1 GLU A 21 5.110 2.593 -17.223 1.00 0.00 O ATOM 69 OE2 GLU A 21 3.432 3.595 -16.239 1.00 0.00 O ATOM 0 H GLU A 21 3.523 -1.450 -13.547 1.00 0.00 H new ATOM 0 HA GLU A 21 6.193 -0.380 -14.417 1.00 0.00 H new ATOM 0 HB2 GLU A 21 4.660 0.278 -16.144 1.00 0.00 H new ATOM 0 HB3 GLU A 21 3.318 0.437 -15.028 1.00 0.00 H new ATOM 0 HG2 GLU A 21 4.124 2.511 -14.148 1.00 0.00 H new ATOM 0 HG3 GLU A 21 5.758 2.227 -14.714 1.00 0.00 H new ATOM 76 N TRP A 22 4.091 0.606 -12.087 1.00 0.00 N ATOM 77 CA TRP A 22 4.053 1.353 -10.801 1.00 0.00 C ATOM 78 C TRP A 22 4.906 0.662 -9.752 1.00 0.00 C ATOM 79 O TRP A 22 5.491 1.298 -8.898 1.00 0.00 O ATOM 80 CB TRP A 22 2.611 1.396 -10.302 1.00 0.00 C ATOM 81 CG TRP A 22 1.677 0.941 -11.427 1.00 0.00 C ATOM 82 CD1 TRP A 22 1.157 1.756 -12.311 1.00 0.00 C ATOM 83 CD2 TRP A 22 1.314 -0.300 -11.657 1.00 0.00 C ATOM 84 NE1 TRP A 22 0.443 0.956 -13.116 1.00 0.00 N ATOM 85 CE2 TRP A 22 0.492 -0.373 -12.768 1.00 0.00 C ATOM 86 CE3 TRP A 22 1.631 -1.455 -10.972 1.00 0.00 C ATOM 87 CZ2 TRP A 22 -0.002 -1.583 -13.183 1.00 0.00 C ATOM 88 CZ3 TRP A 22 1.131 -2.663 -11.388 1.00 0.00 C ATOM 89 CH2 TRP A 22 0.318 -2.728 -12.493 1.00 0.00 C ATOM 0 H TRP A 22 3.221 0.145 -12.354 1.00 0.00 H new ATOM 0 HA TRP A 22 4.440 2.358 -10.967 1.00 0.00 H new ATOM 0 HB2 TRP A 22 2.495 0.749 -9.432 1.00 0.00 H new ATOM 0 HB3 TRP A 22 2.353 2.406 -9.985 1.00 0.00 H new ATOM 0 HD1 TRP A 22 1.276 2.827 -12.376 1.00 0.00 H new ATOM 0 HE1 TRP A 22 -0.089 1.302 -13.915 1.00 0.00 H new ATOM 0 HE3 TRP A 22 2.275 -1.408 -10.106 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 -0.642 -1.636 -14.051 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 1.377 -3.564 -10.846 1.00 0.00 H new ATOM 0 HH2 TRP A 22 -0.071 -3.681 -12.821 1.00 0.00 H new ATOM 100 N TYR A 23 4.960 -0.628 -9.844 1.00 0.00 N ATOM 101 CA TYR A 23 5.766 -1.409 -8.870 1.00 0.00 C ATOM 102 C TYR A 23 7.192 -1.556 -9.372 1.00 0.00 C ATOM 103 O TYR A 23 7.417 -1.875 -10.524 1.00 0.00 O ATOM 104 CB TYR A 23 5.141 -2.818 -8.745 1.00 0.00 C ATOM 105 CG TYR A 23 3.753 -2.782 -8.028 1.00 0.00 C ATOM 106 CD1 TYR A 23 3.098 -1.582 -7.702 1.00 0.00 C ATOM 107 CD2 TYR A 23 3.122 -3.974 -7.721 1.00 0.00 C ATOM 108 CE1 TYR A 23 1.861 -1.606 -7.094 1.00 0.00 C ATOM 109 CE2 TYR A 23 1.882 -3.982 -7.113 1.00 0.00 C ATOM 110 CZ TYR A 23 1.246 -2.801 -6.796 1.00 0.00 C ATOM 111 OH TYR A 23 0.005 -2.817 -6.193 1.00 0.00 O ATOM 0 H TYR A 23 4.480 -1.182 -10.553 1.00 0.00 H new ATOM 0 HA TYR A 23 5.774 -0.896 -7.908 1.00 0.00 H new ATOM 0 HB2 TYR A 23 5.025 -3.252 -9.738 1.00 0.00 H new ATOM 0 HB3 TYR A 23 5.819 -3.467 -8.190 1.00 0.00 H new ATOM 0 HD1 TYR A 23 3.566 -0.636 -7.929 1.00 0.00 H new ATOM 0 HD2 TYR A 23 3.605 -4.910 -7.960 1.00 0.00 H new ATOM 0 HE1 TYR A 23 1.369 -0.677 -6.849 1.00 0.00 H new ATOM 0 HE2 TYR A 23 1.406 -4.924 -6.883 1.00 0.00 H new ATOM 0 HH TYR A 23 -0.688 -2.659 -6.867 1.00 0.00 H new ATOM 121 N TRP A 24 8.137 -1.317 -8.504 1.00 0.00 N ATOM 122 CA TRP A 24 9.547 -1.441 -8.927 1.00 0.00 C ATOM 123 C TRP A 24 10.020 -2.854 -8.682 1.00 0.00 C ATOM 124 O TRP A 24 10.767 -3.420 -9.457 1.00 0.00 O ATOM 125 CB TRP A 24 10.435 -0.506 -8.074 1.00 0.00 C ATOM 126 CG TRP A 24 10.030 0.989 -8.212 1.00 0.00 C ATOM 127 CD1 TRP A 24 8.833 1.447 -8.597 1.00 0.00 C ATOM 128 CD2 TRP A 24 10.826 1.990 -7.891 1.00 0.00 C ATOM 129 NE1 TRP A 24 8.950 2.778 -8.482 1.00 0.00 N ATOM 130 CE2 TRP A 24 10.182 3.203 -8.043 1.00 0.00 C ATOM 131 CE3 TRP A 24 12.142 1.967 -7.451 1.00 0.00 C ATOM 132 CZ2 TRP A 24 10.837 4.376 -7.762 1.00 0.00 C ATOM 133 CZ3 TRP A 24 12.797 3.149 -7.170 1.00 0.00 C ATOM 134 CH2 TRP A 24 12.145 4.352 -7.326 1.00 0.00 C ATOM 0 H TRP A 24 7.990 -1.045 -7.532 1.00 0.00 H new ATOM 0 HA TRP A 24 9.618 -1.180 -9.983 1.00 0.00 H new ATOM 0 HB2 TRP A 24 10.368 -0.802 -7.027 1.00 0.00 H new ATOM 0 HB3 TRP A 24 11.476 -0.626 -8.373 1.00 0.00 H new ATOM 0 HD1 TRP A 24 7.975 0.879 -8.923 1.00 0.00 H new ATOM 0 HE1 TRP A 24 8.189 3.421 -8.702 1.00 0.00 H new ATOM 0 HE3 TRP A 24 12.654 1.024 -7.328 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 10.327 5.320 -7.883 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 13.821 3.130 -6.828 1.00 0.00 H new ATOM 0 HH2 TRP A 24 12.658 5.277 -7.107 1.00 0.00 H new ATOM 145 N GLY A 25 9.565 -3.393 -7.597 1.00 0.00 N ATOM 146 CA GLY A 25 9.949 -4.778 -7.228 1.00 0.00 C ATOM 147 C GLY A 25 10.235 -4.840 -5.735 1.00 0.00 C ATOM 148 O GLY A 25 11.340 -5.120 -5.321 1.00 0.00 O ATOM 0 H GLY A 25 8.936 -2.931 -6.940 1.00 0.00 H new ATOM 0 HA2 GLY A 25 9.148 -5.471 -7.485 1.00 0.00 H new ATOM 0 HA3 GLY A 25 10.830 -5.086 -7.792 1.00 0.00 H new ATOM 152 N ASP A 26 9.214 -4.583 -4.966 1.00 0.00 N ATOM 153 CA ASP A 26 9.355 -4.606 -3.490 1.00 0.00 C ATOM 154 C ASP A 26 10.693 -4.023 -3.050 1.00 0.00 C ATOM 155 O ASP A 26 11.696 -4.710 -3.037 1.00 0.00 O ATOM 156 CB ASP A 26 9.257 -6.061 -3.001 1.00 0.00 C ATOM 157 CG ASP A 26 9.269 -7.020 -4.194 1.00 0.00 C ATOM 158 OD1 ASP A 26 8.260 -7.043 -4.880 1.00 0.00 O ATOM 159 OD2 ASP A 26 10.286 -7.675 -4.351 1.00 0.00 O ATOM 0 H ASP A 26 8.279 -4.356 -5.304 1.00 0.00 H new ATOM 0 HA ASP A 26 8.559 -3.999 -3.059 1.00 0.00 H new ATOM 0 HB2 ASP A 26 10.091 -6.286 -2.336 1.00 0.00 H new ATOM 0 HB3 ASP A 26 8.342 -6.198 -2.424 1.00 0.00 H new ATOM 164 N ILE A 27 10.676 -2.758 -2.678 1.00 0.00 N ATOM 165 CA ILE A 27 11.942 -2.101 -2.231 1.00 0.00 C ATOM 166 C ILE A 27 11.894 -1.809 -0.728 1.00 0.00 C ATOM 167 O ILE A 27 11.713 -2.707 0.073 1.00 0.00 O ATOM 168 CB ILE A 27 12.133 -0.773 -2.999 1.00 0.00 C ATOM 169 CG1 ILE A 27 10.867 0.123 -2.887 1.00 0.00 C ATOM 170 CG2 ILE A 27 12.449 -1.092 -4.482 1.00 0.00 C ATOM 171 CD1 ILE A 27 9.862 -0.139 -4.033 1.00 0.00 C ATOM 0 H ILE A 27 9.848 -2.163 -2.666 1.00 0.00 H new ATOM 0 HA ILE A 27 12.775 -2.774 -2.435 1.00 0.00 H new ATOM 0 HB ILE A 27 12.963 -0.220 -2.560 1.00 0.00 H new ATOM 0 HG12 ILE A 27 10.379 -0.059 -1.929 1.00 0.00 H new ATOM 0 HG13 ILE A 27 11.164 1.172 -2.899 1.00 0.00 H new ATOM 0 HG21 ILE A 27 12.586 -0.162 -5.033 1.00 0.00 H new ATOM 0 HG22 ILE A 27 13.361 -1.686 -4.540 1.00 0.00 H new ATOM 0 HG23 ILE A 27 11.623 -1.654 -4.917 1.00 0.00 H new ATOM 0 HD11 ILE A 27 8.995 0.510 -3.912 1.00 0.00 H new ATOM 0 HD12 ILE A 27 10.340 0.069 -4.990 1.00 0.00 H new ATOM 0 HD13 ILE A 27 9.542 -1.181 -4.006 1.00 0.00 H new ATOM 183 N SER A 28 12.055 -0.564 -0.371 1.00 0.00 N ATOM 184 CA SER A 28 12.021 -0.203 1.060 1.00 0.00 C ATOM 185 C SER A 28 11.643 1.260 1.222 1.00 0.00 C ATOM 186 O SER A 28 11.563 1.991 0.256 1.00 0.00 O ATOM 187 CB SER A 28 13.422 -0.429 1.652 1.00 0.00 C ATOM 188 OG SER A 28 14.285 -0.397 0.524 1.00 0.00 O ATOM 0 H SER A 28 12.208 0.213 -1.014 1.00 0.00 H new ATOM 0 HA SER A 28 11.283 -0.818 1.575 1.00 0.00 H new ATOM 0 HB2 SER A 28 13.680 0.347 2.373 1.00 0.00 H new ATOM 0 HB3 SER A 28 13.485 -1.383 2.175 1.00 0.00 H new ATOM 0 HG SER A 28 15.210 -0.533 0.816 1.00 0.00 H new ATOM 194 N ARG A 29 11.418 1.665 2.435 1.00 0.00 N ATOM 195 CA ARG A 29 11.047 3.071 2.666 1.00 0.00 C ATOM 196 C ARG A 29 12.166 3.991 2.233 1.00 0.00 C ATOM 197 O ARG A 29 11.990 5.184 2.141 1.00 0.00 O ATOM 198 CB ARG A 29 10.781 3.275 4.165 1.00 0.00 C ATOM 199 CG ARG A 29 11.958 2.737 4.989 1.00 0.00 C ATOM 200 CD ARG A 29 11.401 1.954 6.169 1.00 0.00 C ATOM 201 NE ARG A 29 12.500 1.696 7.148 1.00 0.00 N ATOM 202 CZ ARG A 29 13.182 0.581 7.077 1.00 0.00 C ATOM 203 NH1 ARG A 29 12.559 -0.527 6.779 1.00 0.00 N ATOM 204 NH2 ARG A 29 14.467 0.614 7.308 1.00 0.00 N ATOM 0 H ARG A 29 11.476 1.082 3.270 1.00 0.00 H new ATOM 0 HA ARG A 29 10.154 3.304 2.085 1.00 0.00 H new ATOM 0 HB2 ARG A 29 10.635 4.334 4.375 1.00 0.00 H new ATOM 0 HB3 ARG A 29 9.862 2.763 4.452 1.00 0.00 H new ATOM 0 HG2 ARG A 29 12.590 2.097 4.374 1.00 0.00 H new ATOM 0 HG3 ARG A 29 12.582 3.559 5.340 1.00 0.00 H new ATOM 0 HD2 ARG A 29 10.597 2.514 6.646 1.00 0.00 H new ATOM 0 HD3 ARG A 29 10.974 1.012 5.827 1.00 0.00 H new ATOM 0 HE ARG A 29 12.718 2.385 7.868 1.00 0.00 H new ATOM 0 HH11 ARG A 29 11.554 -0.516 6.605 1.00 0.00 H new ATOM 0 HH12 ARG A 29 13.077 -1.404 6.720 1.00 0.00 H new ATOM 0 HH21 ARG A 29 14.921 1.498 7.539 1.00 0.00 H new ATOM 0 HH22 ARG A 29 15.016 -0.244 7.258 1.00 0.00 H new ATOM 218 N GLU A 30 13.300 3.420 1.966 1.00 0.00 N ATOM 219 CA GLU A 30 14.435 4.255 1.537 1.00 0.00 C ATOM 220 C GLU A 30 14.233 4.746 0.118 1.00 0.00 C ATOM 221 O GLU A 30 14.253 5.927 -0.136 1.00 0.00 O ATOM 222 CB GLU A 30 15.707 3.410 1.598 1.00 0.00 C ATOM 223 CG GLU A 30 15.840 2.831 3.000 1.00 0.00 C ATOM 224 CD GLU A 30 17.317 2.579 3.308 1.00 0.00 C ATOM 225 OE1 GLU A 30 17.995 2.151 2.389 1.00 0.00 O ATOM 226 OE2 GLU A 30 17.683 2.832 4.444 1.00 0.00 O ATOM 0 H GLU A 30 13.485 2.419 2.027 1.00 0.00 H new ATOM 0 HA GLU A 30 14.513 5.120 2.195 1.00 0.00 H new ATOM 0 HB2 GLU A 30 15.664 2.609 0.860 1.00 0.00 H new ATOM 0 HB3 GLU A 30 16.578 4.019 1.356 1.00 0.00 H new ATOM 0 HG2 GLU A 30 15.417 3.520 3.731 1.00 0.00 H new ATOM 0 HG3 GLU A 30 15.277 1.900 3.076 1.00 0.00 H new ATOM 233 N GLU A 31 14.035 3.836 -0.791 1.00 0.00 N ATOM 234 CA GLU A 31 13.832 4.267 -2.190 1.00 0.00 C ATOM 235 C GLU A 31 12.432 4.841 -2.357 1.00 0.00 C ATOM 236 O GLU A 31 12.257 5.895 -2.930 1.00 0.00 O ATOM 237 CB GLU A 31 14.000 3.050 -3.109 1.00 0.00 C ATOM 238 CG GLU A 31 15.399 2.461 -2.904 1.00 0.00 C ATOM 239 CD GLU A 31 16.452 3.478 -3.360 1.00 0.00 C ATOM 240 OE1 GLU A 31 16.603 3.595 -4.565 1.00 0.00 O ATOM 241 OE2 GLU A 31 17.043 4.078 -2.478 1.00 0.00 O ATOM 0 H GLU A 31 14.006 2.830 -0.626 1.00 0.00 H new ATOM 0 HA GLU A 31 14.562 5.035 -2.448 1.00 0.00 H new ATOM 0 HB2 GLU A 31 13.240 2.302 -2.886 1.00 0.00 H new ATOM 0 HB3 GLU A 31 13.863 3.342 -4.150 1.00 0.00 H new ATOM 0 HG2 GLU A 31 15.550 2.211 -1.854 1.00 0.00 H new ATOM 0 HG3 GLU A 31 15.502 1.535 -3.470 1.00 0.00 H new ATOM 248 N VAL A 32 11.456 4.139 -1.842 1.00 0.00 N ATOM 249 CA VAL A 32 10.060 4.637 -1.963 1.00 0.00 C ATOM 250 C VAL A 32 9.987 6.090 -1.499 1.00 0.00 C ATOM 251 O VAL A 32 9.659 6.974 -2.261 1.00 0.00 O ATOM 252 CB VAL A 32 9.159 3.763 -1.051 1.00 0.00 C ATOM 253 CG1 VAL A 32 7.941 4.581 -0.581 1.00 0.00 C ATOM 254 CG2 VAL A 32 8.672 2.526 -1.831 1.00 0.00 C ATOM 0 H VAL A 32 11.566 3.253 -1.349 1.00 0.00 H new ATOM 0 HA VAL A 32 9.729 4.580 -3.000 1.00 0.00 H new ATOM 0 HB VAL A 32 9.737 3.442 -0.184 1.00 0.00 H new ATOM 0 HG11 VAL A 32 7.312 3.962 0.059 1.00 0.00 H new ATOM 0 HG12 VAL A 32 8.282 5.452 -0.022 1.00 0.00 H new ATOM 0 HG13 VAL A 32 7.366 4.908 -1.447 1.00 0.00 H new ATOM 0 HG21 VAL A 32 8.040 1.915 -1.187 1.00 0.00 H new ATOM 0 HG22 VAL A 32 8.100 2.847 -2.702 1.00 0.00 H new ATOM 0 HG23 VAL A 32 9.531 1.940 -2.157 1.00 0.00 H new ATOM 264 N ASN A 33 10.308 6.304 -0.254 1.00 0.00 N ATOM 265 CA ASN A 33 10.269 7.688 0.294 1.00 0.00 C ATOM 266 C ASN A 33 11.134 8.648 -0.523 1.00 0.00 C ATOM 267 O ASN A 33 10.631 9.555 -1.169 1.00 0.00 O ATOM 268 CB ASN A 33 10.827 7.645 1.724 1.00 0.00 C ATOM 269 CG ASN A 33 10.536 8.973 2.424 1.00 0.00 C ATOM 270 OD1 ASN A 33 9.578 9.654 2.117 1.00 0.00 O ATOM 271 ND2 ASN A 33 11.339 9.376 3.372 1.00 0.00 N ATOM 0 H ASN A 33 10.595 5.582 0.407 1.00 0.00 H new ATOM 0 HA ASN A 33 9.239 8.043 0.263 1.00 0.00 H new ATOM 0 HB2 ASN A 33 10.374 6.823 2.278 1.00 0.00 H new ATOM 0 HB3 ASN A 33 11.901 7.461 1.701 1.00 0.00 H new ATOM 0 HD21 ASN A 33 11.160 10.259 3.851 1.00 0.00 H new ATOM 0 HD22 ASN A 33 12.145 8.808 3.634 1.00 0.00 H new ATOM 278 N GLU A 34 12.421 8.429 -0.470 1.00 0.00 N ATOM 279 CA GLU A 34 13.363 9.304 -1.225 1.00 0.00 C ATOM 280 C GLU A 34 12.810 9.720 -2.581 1.00 0.00 C ATOM 281 O GLU A 34 13.189 10.746 -3.113 1.00 0.00 O ATOM 282 CB GLU A 34 14.670 8.531 -1.445 1.00 0.00 C ATOM 283 CG GLU A 34 15.415 8.412 -0.112 1.00 0.00 C ATOM 284 CD GLU A 34 16.583 7.435 -0.276 1.00 0.00 C ATOM 285 OE1 GLU A 34 17.329 7.640 -1.219 1.00 0.00 O ATOM 286 OE2 GLU A 34 16.662 6.540 0.549 1.00 0.00 O ATOM 0 H GLU A 34 12.861 7.680 0.065 1.00 0.00 H new ATOM 0 HA GLU A 34 13.522 10.210 -0.640 1.00 0.00 H new ATOM 0 HB2 GLU A 34 14.457 7.540 -1.846 1.00 0.00 H new ATOM 0 HB3 GLU A 34 15.292 9.045 -2.178 1.00 0.00 H new ATOM 0 HG2 GLU A 34 15.783 9.389 0.201 1.00 0.00 H new ATOM 0 HG3 GLU A 34 14.738 8.061 0.667 1.00 0.00 H new ATOM 293 N LYS A 35 11.926 8.933 -3.119 1.00 0.00 N ATOM 294 CA LYS A 35 11.355 9.294 -4.443 1.00 0.00 C ATOM 295 C LYS A 35 10.076 10.089 -4.299 1.00 0.00 C ATOM 296 O LYS A 35 9.840 11.030 -5.030 1.00 0.00 O ATOM 297 CB LYS A 35 11.046 8.014 -5.211 1.00 0.00 C ATOM 298 CG LYS A 35 11.537 8.165 -6.656 1.00 0.00 C ATOM 299 CD LYS A 35 10.729 9.261 -7.360 1.00 0.00 C ATOM 300 CE LYS A 35 10.916 9.126 -8.873 1.00 0.00 C ATOM 301 NZ LYS A 35 10.422 10.346 -9.569 1.00 0.00 N ATOM 0 H LYS A 35 11.577 8.067 -2.707 1.00 0.00 H new ATOM 0 HA LYS A 35 12.085 9.906 -4.973 1.00 0.00 H new ATOM 0 HB2 LYS A 35 11.533 7.163 -4.735 1.00 0.00 H new ATOM 0 HB3 LYS A 35 9.974 7.816 -5.197 1.00 0.00 H new ATOM 0 HG2 LYS A 35 12.597 8.417 -6.666 1.00 0.00 H new ATOM 0 HG3 LYS A 35 11.429 7.220 -7.188 1.00 0.00 H new ATOM 0 HD2 LYS A 35 9.673 9.175 -7.102 1.00 0.00 H new ATOM 0 HD3 LYS A 35 11.059 10.245 -7.026 1.00 0.00 H new ATOM 0 HE2 LYS A 35 11.970 8.970 -9.103 1.00 0.00 H new ATOM 0 HE3 LYS A 35 10.378 8.250 -9.235 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 10.556 10.239 -10.595 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 9.411 10.477 -9.364 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 10.954 11.175 -9.235 1.00 0.00 H new ATOM 315 N LEU A 36 9.274 9.704 -3.364 1.00 0.00 N ATOM 316 CA LEU A 36 7.998 10.432 -3.160 1.00 0.00 C ATOM 317 C LEU A 36 8.242 11.836 -2.611 1.00 0.00 C ATOM 318 O LEU A 36 7.317 12.597 -2.416 1.00 0.00 O ATOM 319 CB LEU A 36 7.150 9.664 -2.140 1.00 0.00 C ATOM 320 CG LEU A 36 6.754 8.300 -2.716 1.00 0.00 C ATOM 321 CD1 LEU A 36 6.096 7.470 -1.612 1.00 0.00 C ATOM 322 CD2 LEU A 36 5.757 8.481 -3.862 1.00 0.00 C ATOM 0 H LEU A 36 9.440 8.921 -2.732 1.00 0.00 H new ATOM 0 HA LEU A 36 7.492 10.511 -4.122 1.00 0.00 H new ATOM 0 HB2 LEU A 36 7.711 9.529 -1.215 1.00 0.00 H new ATOM 0 HB3 LEU A 36 6.257 10.237 -1.891 1.00 0.00 H new ATOM 0 HG LEU A 36 7.644 7.796 -3.093 1.00 0.00 H new ATOM 0 HD11 LEU A 36 5.810 6.497 -2.010 1.00 0.00 H new ATOM 0 HD12 LEU A 36 6.800 7.333 -0.791 1.00 0.00 H new ATOM 0 HD13 LEU A 36 5.209 7.988 -1.247 1.00 0.00 H new ATOM 0 HD21 LEU A 36 5.483 7.505 -4.263 1.00 0.00 H new ATOM 0 HD22 LEU A 36 4.864 8.985 -3.491 1.00 0.00 H new ATOM 0 HD23 LEU A 36 6.212 9.082 -4.649 1.00 0.00 H new ATOM 334 N ARG A 37 9.476 12.152 -2.380 1.00 0.00 N ATOM 335 CA ARG A 37 9.802 13.496 -1.843 1.00 0.00 C ATOM 336 C ARG A 37 9.530 14.642 -2.832 1.00 0.00 C ATOM 337 O ARG A 37 8.489 15.265 -2.801 1.00 0.00 O ATOM 338 CB ARG A 37 11.290 13.504 -1.513 1.00 0.00 C ATOM 339 CG ARG A 37 11.505 12.985 -0.094 1.00 0.00 C ATOM 340 CD ARG A 37 11.564 14.180 0.858 1.00 0.00 C ATOM 341 NE ARG A 37 11.310 13.711 2.250 1.00 0.00 N ATOM 342 CZ ARG A 37 11.679 14.461 3.255 1.00 0.00 C ATOM 343 NH1 ARG A 37 12.897 14.927 3.278 1.00 0.00 N ATOM 344 NH2 ARG A 37 10.815 14.723 4.198 1.00 0.00 N ATOM 0 H ARG A 37 10.276 11.539 -2.539 1.00 0.00 H new ATOM 0 HA ARG A 37 9.164 13.667 -0.976 1.00 0.00 H new ATOM 0 HB2 ARG A 37 11.833 12.882 -2.224 1.00 0.00 H new ATOM 0 HB3 ARG A 37 11.687 14.515 -1.605 1.00 0.00 H new ATOM 0 HG2 ARG A 37 10.694 12.314 0.190 1.00 0.00 H new ATOM 0 HG3 ARG A 37 12.429 12.410 -0.037 1.00 0.00 H new ATOM 0 HD2 ARG A 37 12.540 14.662 0.796 1.00 0.00 H new ATOM 0 HD3 ARG A 37 10.822 14.925 0.572 1.00 0.00 H new ATOM 0 HE ARG A 37 10.853 12.814 2.416 1.00 0.00 H new ATOM 0 HH11 ARG A 37 13.543 14.704 2.520 1.00 0.00 H new ATOM 0 HH12 ARG A 37 13.204 15.514 4.054 1.00 0.00 H new ATOM 0 HH21 ARG A 37 9.870 14.344 4.143 1.00 0.00 H new ATOM 0 HH22 ARG A 37 11.085 15.306 4.990 1.00 0.00 H new ATOM 358 N ASP A 38 10.487 14.884 -3.676 1.00 0.00 N ATOM 359 CA ASP A 38 10.360 15.976 -4.689 1.00 0.00 C ATOM 360 C ASP A 38 9.375 15.672 -5.817 1.00 0.00 C ATOM 361 O ASP A 38 9.739 15.687 -6.976 1.00 0.00 O ATOM 362 CB ASP A 38 11.745 16.205 -5.310 1.00 0.00 C ATOM 363 CG ASP A 38 11.813 17.619 -5.889 1.00 0.00 C ATOM 364 OD1 ASP A 38 10.995 17.890 -6.752 1.00 0.00 O ATOM 365 OD2 ASP A 38 12.678 18.350 -5.434 1.00 0.00 O ATOM 0 H ASP A 38 11.366 14.368 -3.712 1.00 0.00 H new ATOM 0 HA ASP A 38 9.975 16.852 -4.167 1.00 0.00 H new ATOM 0 HB2 ASP A 38 12.521 16.071 -4.556 1.00 0.00 H new ATOM 0 HB3 ASP A 38 11.931 15.470 -6.093 1.00 0.00 H new ATOM 370 N THR A 39 8.159 15.403 -5.464 1.00 0.00 N ATOM 371 CA THR A 39 7.138 15.102 -6.520 1.00 0.00 C ATOM 372 C THR A 39 5.766 15.646 -6.114 1.00 0.00 C ATOM 373 O THR A 39 5.603 16.172 -5.031 1.00 0.00 O ATOM 374 CB THR A 39 7.041 13.588 -6.713 1.00 0.00 C ATOM 375 OG1 THR A 39 5.817 13.368 -7.382 1.00 0.00 O ATOM 376 CG2 THR A 39 6.881 12.885 -5.375 1.00 0.00 C ATOM 0 H THR A 39 7.819 15.376 -4.503 1.00 0.00 H new ATOM 0 HA THR A 39 7.445 15.580 -7.450 1.00 0.00 H new ATOM 0 HB THR A 39 7.928 13.225 -7.233 1.00 0.00 H new ATOM 0 HG1 THR A 39 5.697 12.408 -7.537 1.00 0.00 H new ATOM 0 HG21 THR A 39 6.814 11.809 -5.535 1.00 0.00 H new ATOM 0 HG22 THR A 39 7.742 13.105 -4.743 1.00 0.00 H new ATOM 0 HG23 THR A 39 5.973 13.236 -4.886 1.00 0.00 H new ATOM 384 N ALA A 40 4.805 15.514 -6.994 1.00 0.00 N ATOM 385 CA ALA A 40 3.444 16.021 -6.670 1.00 0.00 C ATOM 386 C ALA A 40 2.902 15.369 -5.401 1.00 0.00 C ATOM 387 O ALA A 40 3.574 14.574 -4.774 1.00 0.00 O ATOM 388 CB ALA A 40 2.504 15.676 -7.842 1.00 0.00 C ATOM 0 H ALA A 40 4.905 15.081 -7.912 1.00 0.00 H new ATOM 0 HA ALA A 40 3.499 17.098 -6.511 1.00 0.00 H new ATOM 0 HB1 ALA A 40 1.500 16.040 -7.623 1.00 0.00 H new ATOM 0 HB2 ALA A 40 2.870 16.148 -8.753 1.00 0.00 H new ATOM 0 HB3 ALA A 40 2.476 14.595 -7.980 1.00 0.00 H new ATOM 394 N ASP A 41 1.687 15.725 -5.051 1.00 0.00 N ATOM 395 CA ASP A 41 1.060 15.151 -3.831 1.00 0.00 C ATOM 396 C ASP A 41 -0.037 14.170 -4.217 1.00 0.00 C ATOM 397 O ASP A 41 -1.198 14.378 -3.923 1.00 0.00 O ATOM 398 CB ASP A 41 0.439 16.298 -3.018 1.00 0.00 C ATOM 399 CG ASP A 41 0.020 15.776 -1.643 1.00 0.00 C ATOM 400 OD1 ASP A 41 -1.114 15.338 -1.551 1.00 0.00 O ATOM 401 OD2 ASP A 41 0.858 15.846 -0.762 1.00 0.00 O ATOM 0 H ASP A 41 1.107 16.390 -5.563 1.00 0.00 H new ATOM 0 HA ASP A 41 1.816 14.627 -3.245 1.00 0.00 H new ATOM 0 HB2 ASP A 41 1.157 17.111 -2.908 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -0.425 16.705 -3.544 1.00 0.00 H new ATOM 406 N GLY A 42 0.360 13.121 -4.871 1.00 0.00 N ATOM 407 CA GLY A 42 -0.631 12.090 -5.304 1.00 0.00 C ATOM 408 C GLY A 42 0.062 11.022 -6.163 1.00 0.00 C ATOM 409 O GLY A 42 -0.311 10.793 -7.296 1.00 0.00 O ATOM 0 H GLY A 42 1.328 12.927 -5.128 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -1.089 11.625 -4.431 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -1.433 12.561 -5.872 1.00 0.00 H new ATOM 413 N THR A 43 1.057 10.397 -5.592 1.00 0.00 N ATOM 414 CA THR A 43 1.805 9.339 -6.334 1.00 0.00 C ATOM 415 C THR A 43 1.477 7.958 -5.769 1.00 0.00 C ATOM 416 O THR A 43 0.832 7.862 -4.750 1.00 0.00 O ATOM 417 CB THR A 43 3.281 9.602 -6.103 1.00 0.00 C ATOM 418 OG1 THR A 43 3.407 11.007 -6.051 1.00 0.00 O ATOM 419 CG2 THR A 43 4.118 9.184 -7.308 1.00 0.00 C ATOM 0 H THR A 43 1.385 10.573 -4.642 1.00 0.00 H new ATOM 0 HA THR A 43 1.538 9.362 -7.391 1.00 0.00 H new ATOM 0 HB THR A 43 3.610 9.064 -5.214 1.00 0.00 H new ATOM 0 HG1 THR A 43 4.345 11.246 -5.901 1.00 0.00 H new ATOM 0 HG21 THR A 43 5.170 9.387 -7.108 1.00 0.00 H new ATOM 0 HG22 THR A 43 3.982 8.118 -7.493 1.00 0.00 H new ATOM 0 HG23 THR A 43 3.800 9.748 -8.185 1.00 0.00 H new ATOM 427 N PHE A 44 1.936 6.902 -6.427 1.00 0.00 N ATOM 428 CA PHE A 44 1.626 5.540 -5.889 1.00 0.00 C ATOM 429 C PHE A 44 2.544 4.438 -6.444 1.00 0.00 C ATOM 430 O PHE A 44 2.762 4.330 -7.635 1.00 0.00 O ATOM 431 CB PHE A 44 0.160 5.204 -6.226 1.00 0.00 C ATOM 432 CG PHE A 44 0.006 4.897 -7.715 1.00 0.00 C ATOM 433 CD1 PHE A 44 -0.034 5.919 -8.644 1.00 0.00 C ATOM 434 CD2 PHE A 44 -0.165 3.596 -8.150 1.00 0.00 C ATOM 435 CE1 PHE A 44 -0.248 5.638 -9.975 1.00 0.00 C ATOM 436 CE2 PHE A 44 -0.380 3.326 -9.479 1.00 0.00 C ATOM 437 CZ PHE A 44 -0.421 4.342 -10.389 1.00 0.00 C ATOM 0 H PHE A 44 2.491 6.929 -7.282 1.00 0.00 H new ATOM 0 HA PHE A 44 1.795 5.568 -4.813 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -0.167 4.347 -5.637 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -0.482 6.041 -5.954 1.00 0.00 H new ATOM 0 HD1 PHE A 44 0.103 6.942 -8.325 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -0.129 2.785 -7.438 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -0.280 6.442 -10.696 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -0.517 2.306 -9.805 1.00 0.00 H new ATOM 0 HZ PHE A 44 -0.589 4.126 -11.434 1.00 0.00 H new ATOM 447 N LEU A 45 3.064 3.638 -5.526 1.00 0.00 N ATOM 448 CA LEU A 45 3.975 2.518 -5.906 1.00 0.00 C ATOM 449 C LEU A 45 3.835 1.384 -4.871 1.00 0.00 C ATOM 450 O LEU A 45 2.876 1.368 -4.123 1.00 0.00 O ATOM 451 CB LEU A 45 5.443 3.028 -5.953 1.00 0.00 C ATOM 452 CG LEU A 45 5.665 4.134 -4.908 1.00 0.00 C ATOM 453 CD1 LEU A 45 5.444 3.568 -3.508 1.00 0.00 C ATOM 454 CD2 LEU A 45 7.105 4.638 -5.010 1.00 0.00 C ATOM 0 H LEU A 45 2.888 3.723 -4.525 1.00 0.00 H new ATOM 0 HA LEU A 45 3.707 2.140 -6.893 1.00 0.00 H new ATOM 0 HB2 LEU A 45 6.127 2.201 -5.766 1.00 0.00 H new ATOM 0 HB3 LEU A 45 5.669 3.410 -6.948 1.00 0.00 H new ATOM 0 HG LEU A 45 4.965 4.949 -5.091 1.00 0.00 H new ATOM 0 HD11 LEU A 45 5.602 4.353 -2.769 1.00 0.00 H new ATOM 0 HD12 LEU A 45 4.425 3.191 -3.425 1.00 0.00 H new ATOM 0 HD13 LEU A 45 6.147 2.755 -3.329 1.00 0.00 H new ATOM 0 HD21 LEU A 45 7.269 5.423 -4.271 1.00 0.00 H new ATOM 0 HD22 LEU A 45 7.793 3.814 -4.823 1.00 0.00 H new ATOM 0 HD23 LEU A 45 7.281 5.037 -6.009 1.00 0.00 H new ATOM 466 N VAL A 46 4.783 0.458 -4.837 1.00 0.00 N ATOM 467 CA VAL A 46 4.682 -0.670 -3.839 1.00 0.00 C ATOM 468 C VAL A 46 5.775 -0.586 -2.768 1.00 0.00 C ATOM 469 O VAL A 46 6.779 0.075 -2.940 1.00 0.00 O ATOM 470 CB VAL A 46 4.781 -2.028 -4.616 1.00 0.00 C ATOM 471 CG1 VAL A 46 5.936 -2.910 -4.092 1.00 0.00 C ATOM 472 CG2 VAL A 46 3.471 -2.794 -4.427 1.00 0.00 C ATOM 0 H VAL A 46 5.603 0.435 -5.443 1.00 0.00 H new ATOM 0 HA VAL A 46 3.726 -0.597 -3.320 1.00 0.00 H new ATOM 0 HB VAL A 46 4.970 -1.803 -5.666 1.00 0.00 H new ATOM 0 HG11 VAL A 46 5.969 -3.841 -4.658 1.00 0.00 H new ATOM 0 HG12 VAL A 46 6.881 -2.380 -4.211 1.00 0.00 H new ATOM 0 HG13 VAL A 46 5.774 -3.132 -3.037 1.00 0.00 H new ATOM 0 HG21 VAL A 46 3.524 -3.742 -4.962 1.00 0.00 H new ATOM 0 HG22 VAL A 46 3.311 -2.984 -3.366 1.00 0.00 H new ATOM 0 HG23 VAL A 46 2.644 -2.202 -4.818 1.00 0.00 H new ATOM 482 N ARG A 47 5.535 -1.268 -1.679 1.00 0.00 N ATOM 483 CA ARG A 47 6.504 -1.280 -0.558 1.00 0.00 C ATOM 484 C ARG A 47 6.699 -2.715 -0.087 1.00 0.00 C ATOM 485 O ARG A 47 5.756 -3.372 0.308 1.00 0.00 O ATOM 486 CB ARG A 47 5.916 -0.454 0.602 1.00 0.00 C ATOM 487 CG ARG A 47 7.037 0.320 1.302 1.00 0.00 C ATOM 488 CD ARG A 47 8.051 -0.670 1.877 1.00 0.00 C ATOM 489 NE ARG A 47 8.833 0.006 2.951 1.00 0.00 N ATOM 490 CZ ARG A 47 9.044 -0.616 4.079 1.00 0.00 C ATOM 491 NH1 ARG A 47 10.013 -1.486 4.146 1.00 0.00 N ATOM 492 NH2 ARG A 47 8.277 -0.348 5.100 1.00 0.00 N ATOM 0 H ARG A 47 4.694 -1.824 -1.522 1.00 0.00 H new ATOM 0 HA ARG A 47 7.458 -0.862 -0.879 1.00 0.00 H new ATOM 0 HB2 ARG A 47 5.164 0.238 0.224 1.00 0.00 H new ATOM 0 HB3 ARG A 47 5.416 -1.112 1.313 1.00 0.00 H new ATOM 0 HG2 ARG A 47 7.527 0.991 0.597 1.00 0.00 H new ATOM 0 HG3 ARG A 47 6.625 0.940 2.098 1.00 0.00 H new ATOM 0 HD2 ARG A 47 7.538 -1.544 2.278 1.00 0.00 H new ATOM 0 HD3 ARG A 47 8.718 -1.024 1.091 1.00 0.00 H new ATOM 0 HE ARG A 47 9.200 0.947 2.806 1.00 0.00 H new ATOM 0 HH11 ARG A 47 10.591 -1.670 3.326 1.00 0.00 H new ATOM 0 HH12 ARG A 47 10.193 -1.982 5.019 1.00 0.00 H new ATOM 0 HH21 ARG A 47 7.527 0.338 5.009 1.00 0.00 H new ATOM 0 HH22 ARG A 47 8.427 -0.824 5.989 1.00 0.00 H new ATOM 506 N ASP A 48 7.907 -3.181 -0.137 1.00 0.00 N ATOM 507 CA ASP A 48 8.162 -4.573 0.306 1.00 0.00 C ATOM 508 C ASP A 48 7.579 -4.850 1.687 1.00 0.00 C ATOM 509 O ASP A 48 7.769 -4.084 2.612 1.00 0.00 O ATOM 510 CB ASP A 48 9.677 -4.791 0.367 1.00 0.00 C ATOM 511 CG ASP A 48 9.965 -6.268 0.648 1.00 0.00 C ATOM 512 OD1 ASP A 48 9.055 -7.049 0.426 1.00 0.00 O ATOM 513 OD2 ASP A 48 11.079 -6.531 1.070 1.00 0.00 O ATOM 0 H ASP A 48 8.724 -2.665 -0.462 1.00 0.00 H new ATOM 0 HA ASP A 48 7.685 -5.248 -0.404 1.00 0.00 H new ATOM 0 HB2 ASP A 48 10.137 -4.492 -0.575 1.00 0.00 H new ATOM 0 HB3 ASP A 48 10.114 -4.168 1.148 1.00 0.00 H new ATOM 518 N ALA A 49 6.876 -5.951 1.795 1.00 0.00 N ATOM 519 CA ALA A 49 6.266 -6.312 3.101 1.00 0.00 C ATOM 520 C ALA A 49 7.135 -7.333 3.824 1.00 0.00 C ATOM 521 O ALA A 49 7.642 -8.255 3.217 1.00 0.00 O ATOM 522 CB ALA A 49 4.896 -6.949 2.836 1.00 0.00 C ATOM 0 H ALA A 49 6.702 -6.609 1.036 1.00 0.00 H new ATOM 0 HA ALA A 49 6.173 -5.416 3.715 1.00 0.00 H new ATOM 0 HB1 ALA A 49 4.432 -7.221 3.784 1.00 0.00 H new ATOM 0 HB2 ALA A 49 4.259 -6.237 2.311 1.00 0.00 H new ATOM 0 HB3 ALA A 49 5.022 -7.842 2.224 1.00 0.00 H new ATOM 528 N SER A 50 7.296 -7.159 5.106 1.00 0.00 N ATOM 529 CA SER A 50 8.132 -8.123 5.863 1.00 0.00 C ATOM 530 C SER A 50 7.479 -9.501 5.886 1.00 0.00 C ATOM 531 O SER A 50 6.926 -9.943 4.898 1.00 0.00 O ATOM 532 CB SER A 50 8.278 -7.619 7.306 1.00 0.00 C ATOM 533 OG SER A 50 9.313 -8.425 7.852 1.00 0.00 O ATOM 0 H SER A 50 6.890 -6.401 5.654 1.00 0.00 H new ATOM 0 HA SER A 50 9.106 -8.204 5.380 1.00 0.00 H new ATOM 0 HB2 SER A 50 8.540 -6.561 7.334 1.00 0.00 H new ATOM 0 HB3 SER A 50 7.348 -7.732 7.864 1.00 0.00 H new ATOM 0 HG SER A 50 9.474 -8.165 8.783 1.00 0.00 H new ATOM 539 N THR A 51 7.554 -10.157 7.012 1.00 0.00 N ATOM 540 CA THR A 51 6.941 -11.505 7.110 1.00 0.00 C ATOM 541 C THR A 51 5.424 -11.409 7.073 1.00 0.00 C ATOM 542 O THR A 51 4.824 -11.373 6.017 1.00 0.00 O ATOM 543 CB THR A 51 7.371 -12.131 8.441 1.00 0.00 C ATOM 544 OG1 THR A 51 7.522 -11.045 9.334 1.00 0.00 O ATOM 545 CG2 THR A 51 8.780 -12.735 8.329 1.00 0.00 C ATOM 0 H THR A 51 8.010 -9.819 7.860 1.00 0.00 H new ATOM 0 HA THR A 51 7.270 -12.114 6.268 1.00 0.00 H new ATOM 0 HB THR A 51 6.650 -12.891 8.742 1.00 0.00 H new ATOM 0 HG1 THR A 51 7.797 -11.380 10.213 1.00 0.00 H new ATOM 0 HG21 THR A 51 9.065 -13.174 9.285 1.00 0.00 H new ATOM 0 HG22 THR A 51 8.785 -13.507 7.560 1.00 0.00 H new ATOM 0 HG23 THR A 51 9.491 -11.953 8.063 1.00 0.00 H new ATOM 553 N LYS A 52 4.835 -11.367 8.226 1.00 0.00 N ATOM 554 CA LYS A 52 3.355 -11.273 8.292 1.00 0.00 C ATOM 555 C LYS A 52 2.698 -12.582 7.852 1.00 0.00 C ATOM 556 O LYS A 52 1.721 -12.580 7.129 1.00 0.00 O ATOM 557 CB LYS A 52 2.905 -10.138 7.351 1.00 0.00 C ATOM 558 CG LYS A 52 1.699 -9.412 7.962 1.00 0.00 C ATOM 559 CD LYS A 52 1.339 -8.210 7.086 1.00 0.00 C ATOM 560 CE LYS A 52 2.113 -6.981 7.578 1.00 0.00 C ATOM 561 NZ LYS A 52 2.091 -5.906 6.547 1.00 0.00 N ATOM 0 H LYS A 52 5.312 -11.394 9.127 1.00 0.00 H new ATOM 0 HA LYS A 52 3.054 -11.073 9.321 1.00 0.00 H new ATOM 0 HB2 LYS A 52 3.724 -9.436 7.194 1.00 0.00 H new ATOM 0 HB3 LYS A 52 2.642 -10.544 6.374 1.00 0.00 H new ATOM 0 HG2 LYS A 52 0.850 -10.091 8.036 1.00 0.00 H new ATOM 0 HG3 LYS A 52 1.932 -9.083 8.974 1.00 0.00 H new ATOM 0 HD2 LYS A 52 1.585 -8.417 6.044 1.00 0.00 H new ATOM 0 HD3 LYS A 52 0.266 -8.021 7.129 1.00 0.00 H new ATOM 0 HE2 LYS A 52 1.673 -6.613 8.505 1.00 0.00 H new ATOM 0 HE3 LYS A 52 3.143 -7.258 7.802 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 2.051 -4.978 7.014 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 2.952 -5.965 5.966 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 1.255 -6.024 5.940 1.00 0.00 H new ATOM 575 N MET A 53 3.252 -13.676 8.301 1.00 0.00 N ATOM 576 CA MET A 53 2.682 -14.997 7.927 1.00 0.00 C ATOM 577 C MET A 53 2.514 -15.127 6.418 1.00 0.00 C ATOM 578 O MET A 53 1.428 -15.364 5.933 1.00 0.00 O ATOM 579 CB MET A 53 1.300 -15.132 8.588 1.00 0.00 C ATOM 580 CG MET A 53 1.451 -14.981 10.102 1.00 0.00 C ATOM 581 SD MET A 53 0.695 -16.254 11.145 1.00 0.00 S ATOM 582 CE MET A 53 2.217 -16.832 11.936 1.00 0.00 C ATOM 0 H MET A 53 4.071 -13.710 8.908 1.00 0.00 H new ATOM 0 HA MET A 53 3.364 -15.778 8.264 1.00 0.00 H new ATOM 0 HB2 MET A 53 0.622 -14.372 8.200 1.00 0.00 H new ATOM 0 HB3 MET A 53 0.862 -16.101 8.349 1.00 0.00 H new ATOM 0 HG2 MET A 53 2.516 -14.945 10.333 1.00 0.00 H new ATOM 0 HG3 MET A 53 1.030 -14.017 10.388 1.00 0.00 H new ATOM 0 HE1 MET A 53 1.982 -17.635 12.635 1.00 0.00 H new ATOM 0 HE2 MET A 53 2.904 -17.203 11.175 1.00 0.00 H new ATOM 0 HE3 MET A 53 2.683 -16.007 12.475 1.00 0.00 H new ATOM 592 N HIS A 54 3.592 -14.964 5.700 1.00 0.00 N ATOM 593 CA HIS A 54 3.510 -15.077 4.238 1.00 0.00 C ATOM 594 C HIS A 54 2.601 -13.987 3.673 1.00 0.00 C ATOM 595 O HIS A 54 1.398 -13.990 3.858 1.00 0.00 O ATOM 596 CB HIS A 54 2.987 -16.504 3.877 1.00 0.00 C ATOM 597 CG HIS A 54 1.503 -16.476 3.500 1.00 0.00 C ATOM 598 ND1 HIS A 54 0.571 -16.856 4.241 1.00 0.00 N ATOM 599 CD2 HIS A 54 0.897 -16.057 2.332 1.00 0.00 C ATOM 600 CE1 HIS A 54 -0.556 -16.725 3.675 1.00 0.00 C ATOM 601 NE2 HIS A 54 -0.452 -16.220 2.445 1.00 0.00 N ATOM 0 H HIS A 54 4.519 -14.758 6.073 1.00 0.00 H new ATOM 0 HA HIS A 54 4.495 -14.938 3.793 1.00 0.00 H new ATOM 0 HB2 HIS A 54 3.567 -16.907 3.047 1.00 0.00 H new ATOM 0 HB3 HIS A 54 3.136 -17.173 4.724 1.00 0.00 H new ATOM 0 HD1 HIS A 54 0.701 -17.225 5.183 1.00 0.00 H new ATOM 0 HD2 HIS A 54 1.410 -15.663 1.467 1.00 0.00 H new ATOM 0 HE1 HIS A 54 -1.495 -16.992 4.137 1.00 0.00 H new ATOM 609 N GLY A 55 3.215 -13.038 3.044 1.00 0.00 N ATOM 610 CA GLY A 55 2.430 -11.919 2.448 1.00 0.00 C ATOM 611 C GLY A 55 3.111 -11.395 1.182 1.00 0.00 C ATOM 612 O GLY A 55 4.206 -11.802 0.848 1.00 0.00 O ATOM 0 H GLY A 55 4.225 -12.982 2.913 1.00 0.00 H new ATOM 0 HA2 GLY A 55 1.423 -12.261 2.210 1.00 0.00 H new ATOM 0 HA3 GLY A 55 2.329 -11.112 3.174 1.00 0.00 H new ATOM 616 N ASP A 56 2.443 -10.499 0.502 1.00 0.00 N ATOM 617 CA ASP A 56 3.030 -9.937 -0.740 1.00 0.00 C ATOM 618 C ASP A 56 3.779 -8.646 -0.446 1.00 0.00 C ATOM 619 O ASP A 56 4.930 -8.671 -0.060 1.00 0.00 O ATOM 620 CB ASP A 56 1.891 -9.634 -1.718 1.00 0.00 C ATOM 621 CG ASP A 56 2.413 -8.769 -2.872 1.00 0.00 C ATOM 622 OD1 ASP A 56 3.160 -9.316 -3.664 1.00 0.00 O ATOM 623 OD2 ASP A 56 2.034 -7.607 -2.892 1.00 0.00 O ATOM 0 H ASP A 56 1.523 -10.137 0.755 1.00 0.00 H new ATOM 0 HA ASP A 56 3.729 -10.659 -1.163 1.00 0.00 H new ATOM 0 HB2 ASP A 56 1.477 -10.564 -2.107 1.00 0.00 H new ATOM 0 HB3 ASP A 56 1.083 -9.117 -1.200 1.00 0.00 H new ATOM 628 N TYR A 57 3.108 -7.537 -0.640 1.00 0.00 N ATOM 629 CA TYR A 57 3.747 -6.238 -0.383 1.00 0.00 C ATOM 630 C TYR A 57 2.806 -5.300 0.339 1.00 0.00 C ATOM 631 O TYR A 57 1.942 -5.725 1.080 1.00 0.00 O ATOM 632 CB TYR A 57 4.133 -5.629 -1.730 1.00 0.00 C ATOM 633 CG TYR A 57 4.929 -6.668 -2.534 1.00 0.00 C ATOM 634 CD1 TYR A 57 6.040 -7.289 -1.986 1.00 0.00 C ATOM 635 CD2 TYR A 57 4.536 -7.017 -3.805 1.00 0.00 C ATOM 636 CE1 TYR A 57 6.734 -8.234 -2.693 1.00 0.00 C ATOM 637 CE2 TYR A 57 5.236 -7.967 -4.515 1.00 0.00 C ATOM 638 CZ TYR A 57 6.342 -8.584 -3.965 1.00 0.00 C ATOM 639 OH TYR A 57 7.045 -9.531 -4.679 1.00 0.00 O ATOM 0 H TYR A 57 2.143 -7.490 -0.967 1.00 0.00 H new ATOM 0 HA TYR A 57 4.623 -6.386 0.248 1.00 0.00 H new ATOM 0 HB2 TYR A 57 3.240 -5.331 -2.279 1.00 0.00 H new ATOM 0 HB3 TYR A 57 4.730 -4.730 -1.580 1.00 0.00 H new ATOM 0 HD1 TYR A 57 6.362 -7.024 -0.990 1.00 0.00 H new ATOM 0 HD2 TYR A 57 3.673 -6.543 -4.249 1.00 0.00 H new ATOM 0 HE1 TYR A 57 7.596 -8.709 -2.249 1.00 0.00 H new ATOM 0 HE2 TYR A 57 4.917 -8.232 -5.512 1.00 0.00 H new ATOM 0 HH TYR A 57 7.814 -9.108 -5.115 1.00 0.00 H new ATOM 649 N THR A 58 2.994 -4.045 0.112 1.00 0.00 N ATOM 650 CA THR A 58 2.137 -3.051 0.766 1.00 0.00 C ATOM 651 C THR A 58 2.001 -1.804 -0.095 1.00 0.00 C ATOM 652 O THR A 58 2.981 -1.150 -0.392 1.00 0.00 O ATOM 653 CB THR A 58 2.813 -2.691 2.079 1.00 0.00 C ATOM 654 OG1 THR A 58 2.156 -3.468 3.061 1.00 0.00 O ATOM 655 CG2 THR A 58 2.527 -1.244 2.480 1.00 0.00 C ATOM 0 H THR A 58 3.712 -3.664 -0.505 1.00 0.00 H new ATOM 0 HA THR A 58 1.137 -3.454 0.924 1.00 0.00 H new ATOM 0 HB THR A 58 3.888 -2.848 1.988 1.00 0.00 H new ATOM 0 HG1 THR A 58 1.932 -4.346 2.687 1.00 0.00 H new ATOM 0 HG21 THR A 58 3.026 -1.022 3.423 1.00 0.00 H new ATOM 0 HG22 THR A 58 2.898 -0.572 1.706 1.00 0.00 H new ATOM 0 HG23 THR A 58 1.452 -1.104 2.597 1.00 0.00 H new ATOM 663 N LEU A 59 0.795 -1.494 -0.488 1.00 0.00 N ATOM 664 CA LEU A 59 0.611 -0.288 -1.328 1.00 0.00 C ATOM 665 C LEU A 59 0.955 0.958 -0.544 1.00 0.00 C ATOM 666 O LEU A 59 0.675 1.056 0.631 1.00 0.00 O ATOM 667 CB LEU A 59 -0.875 -0.175 -1.750 1.00 0.00 C ATOM 668 CG LEU A 59 -1.073 -0.632 -3.205 1.00 0.00 C ATOM 669 CD1 LEU A 59 -1.175 -2.142 -3.233 1.00 0.00 C ATOM 670 CD2 LEU A 59 -2.383 -0.046 -3.739 1.00 0.00 C ATOM 0 H LEU A 59 -0.053 -2.016 -0.266 1.00 0.00 H new ATOM 0 HA LEU A 59 1.261 -0.377 -2.198 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -1.492 -0.782 -1.088 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -1.210 0.856 -1.641 1.00 0.00 H new ATOM 0 HG LEU A 59 -0.235 -0.297 -3.816 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -1.316 -2.478 -4.260 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -0.259 -2.576 -2.831 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -2.024 -2.461 -2.628 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -2.531 -0.366 -4.771 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -3.214 -0.397 -3.128 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -2.338 1.042 -3.699 1.00 0.00 H new ATOM 682 N THR A 60 1.558 1.889 -1.209 1.00 0.00 N ATOM 683 CA THR A 60 1.931 3.139 -0.536 1.00 0.00 C ATOM 684 C THR A 60 1.808 4.285 -1.514 1.00 0.00 C ATOM 685 O THR A 60 2.205 4.163 -2.655 1.00 0.00 O ATOM 686 CB THR A 60 3.376 3.034 -0.066 1.00 0.00 C ATOM 687 OG1 THR A 60 3.298 2.705 1.305 1.00 0.00 O ATOM 688 CG2 THR A 60 4.073 4.410 -0.096 1.00 0.00 C ATOM 0 H THR A 60 1.808 1.833 -2.196 1.00 0.00 H new ATOM 0 HA THR A 60 1.275 3.313 0.317 1.00 0.00 H new ATOM 0 HB THR A 60 3.915 2.324 -0.693 1.00 0.00 H new ATOM 0 HG1 THR A 60 2.512 2.141 1.462 1.00 0.00 H new ATOM 0 HG21 THR A 60 5.103 4.304 0.245 1.00 0.00 H new ATOM 0 HG22 THR A 60 4.066 4.799 -1.114 1.00 0.00 H new ATOM 0 HG23 THR A 60 3.543 5.101 0.560 1.00 0.00 H new ATOM 696 N LEU A 61 1.253 5.375 -1.073 1.00 0.00 N ATOM 697 CA LEU A 61 1.112 6.524 -2.003 1.00 0.00 C ATOM 698 C LEU A 61 1.254 7.842 -1.304 1.00 0.00 C ATOM 699 O LEU A 61 0.855 8.002 -0.171 1.00 0.00 O ATOM 700 CB LEU A 61 -0.279 6.494 -2.673 1.00 0.00 C ATOM 701 CG LEU A 61 -1.259 5.631 -1.865 1.00 0.00 C ATOM 702 CD1 LEU A 61 -2.672 6.129 -2.137 1.00 0.00 C ATOM 703 CD2 LEU A 61 -1.164 4.148 -2.293 1.00 0.00 C ATOM 0 H LEU A 61 0.897 5.520 -0.128 1.00 0.00 H new ATOM 0 HA LEU A 61 1.908 6.427 -2.741 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -0.668 7.509 -2.759 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -0.191 6.100 -3.685 1.00 0.00 H new ATOM 0 HG LEU A 61 -1.013 5.706 -0.806 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -3.385 5.528 -1.572 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -2.755 7.172 -1.833 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -2.889 6.043 -3.202 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -1.867 3.555 -1.708 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -1.407 4.059 -3.352 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -0.151 3.784 -2.121 1.00 0.00 H new ATOM 715 N ARG A 62 1.827 8.777 -2.002 1.00 0.00 N ATOM 716 CA ARG A 62 2.007 10.095 -1.407 1.00 0.00 C ATOM 717 C ARG A 62 0.693 10.805 -1.451 1.00 0.00 C ATOM 718 O ARG A 62 0.194 11.128 -2.516 1.00 0.00 O ATOM 719 CB ARG A 62 3.037 10.873 -2.217 1.00 0.00 C ATOM 720 CG ARG A 62 3.565 12.032 -1.371 1.00 0.00 C ATOM 721 CD ARG A 62 4.414 11.492 -0.200 1.00 0.00 C ATOM 722 NE ARG A 62 5.723 12.204 -0.184 1.00 0.00 N ATOM 723 CZ ARG A 62 6.273 12.510 0.959 1.00 0.00 C ATOM 724 NH1 ARG A 62 6.481 11.562 1.834 1.00 0.00 N ATOM 725 NH2 ARG A 62 6.598 13.752 1.190 1.00 0.00 N ATOM 0 H ARG A 62 2.173 8.672 -2.956 1.00 0.00 H new ATOM 0 HA ARG A 62 2.354 10.009 -0.377 1.00 0.00 H new ATOM 0 HB2 ARG A 62 3.857 10.218 -2.511 1.00 0.00 H new ATOM 0 HB3 ARG A 62 2.586 11.252 -3.134 1.00 0.00 H new ATOM 0 HG2 ARG A 62 4.166 12.699 -1.989 1.00 0.00 H new ATOM 0 HG3 ARG A 62 2.732 12.620 -0.985 1.00 0.00 H new ATOM 0 HD2 ARG A 62 3.892 11.642 0.745 1.00 0.00 H new ATOM 0 HD3 ARG A 62 4.570 10.419 -0.311 1.00 0.00 H new ATOM 0 HE ARG A 62 6.185 12.450 -1.059 1.00 0.00 H new ATOM 0 HH11 ARG A 62 6.214 10.601 1.618 1.00 0.00 H new ATOM 0 HH12 ARG A 62 6.910 11.783 2.733 1.00 0.00 H new ATOM 0 HH21 ARG A 62 6.421 14.465 0.483 1.00 0.00 H new ATOM 0 HH22 ARG A 62 7.029 14.010 2.078 1.00 0.00 H new ATOM 739 N LYS A 63 0.152 11.031 -0.299 1.00 0.00 N ATOM 740 CA LYS A 63 -1.142 11.714 -0.216 1.00 0.00 C ATOM 741 C LYS A 63 -1.127 12.747 0.899 1.00 0.00 C ATOM 742 O LYS A 63 -1.491 12.461 2.022 1.00 0.00 O ATOM 743 CB LYS A 63 -2.167 10.607 0.075 1.00 0.00 C ATOM 744 CG LYS A 63 -3.562 11.159 0.386 1.00 0.00 C ATOM 745 CD LYS A 63 -4.079 10.427 1.623 1.00 0.00 C ATOM 746 CE LYS A 63 -5.518 10.863 1.905 1.00 0.00 C ATOM 747 NZ LYS A 63 -6.149 9.962 2.908 1.00 0.00 N ATOM 0 H LYS A 63 0.561 10.766 0.597 1.00 0.00 H new ATOM 0 HA LYS A 63 -1.381 12.251 -1.134 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -2.228 9.939 -0.784 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -1.821 10.010 0.919 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -3.518 12.233 0.566 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -4.233 11.005 -0.459 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -4.038 9.349 1.465 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -3.445 10.648 2.482 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -5.528 11.889 2.272 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -6.096 10.850 0.981 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -7.125 10.272 3.088 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -6.157 8.988 2.543 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -5.606 9.995 3.795 1.00 0.00 H new ATOM 761 N GLY A 64 -0.702 13.929 0.560 1.00 0.00 N ATOM 762 CA GLY A 64 -0.650 15.017 1.585 1.00 0.00 C ATOM 763 C GLY A 64 0.768 15.192 2.116 1.00 0.00 C ATOM 764 O GLY A 64 0.966 15.579 3.251 1.00 0.00 O ATOM 0 H GLY A 64 -0.389 14.193 -0.374 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -0.997 15.953 1.147 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -1.325 14.781 2.408 1.00 0.00 H new ATOM 768 N GLY A 65 1.720 14.905 1.287 1.00 0.00 N ATOM 769 CA GLY A 65 3.137 15.047 1.720 1.00 0.00 C ATOM 770 C GLY A 65 3.516 13.906 2.664 1.00 0.00 C ATOM 771 O GLY A 65 4.644 13.817 3.110 1.00 0.00 O ATOM 0 H GLY A 65 1.585 14.579 0.330 1.00 0.00 H new ATOM 0 HA2 GLY A 65 3.793 15.042 0.850 1.00 0.00 H new ATOM 0 HA3 GLY A 65 3.278 16.005 2.220 1.00 0.00 H new ATOM 775 N ASN A 66 2.555 13.056 2.945 1.00 0.00 N ATOM 776 CA ASN A 66 2.814 11.909 3.853 1.00 0.00 C ATOM 777 C ASN A 66 2.443 10.595 3.181 1.00 0.00 C ATOM 778 O ASN A 66 1.310 10.390 2.792 1.00 0.00 O ATOM 779 CB ASN A 66 1.941 12.086 5.100 1.00 0.00 C ATOM 780 CG ASN A 66 2.520 11.254 6.246 1.00 0.00 C ATOM 781 OD1 ASN A 66 2.831 11.764 7.303 1.00 0.00 O ATOM 782 ND2 ASN A 66 2.681 9.970 6.075 1.00 0.00 N ATOM 0 H ASN A 66 1.604 13.113 2.581 1.00 0.00 H new ATOM 0 HA ASN A 66 3.873 11.883 4.109 1.00 0.00 H new ATOM 0 HB2 ASN A 66 1.901 13.138 5.383 1.00 0.00 H new ATOM 0 HB3 ASN A 66 0.918 11.773 4.889 1.00 0.00 H new ATOM 0 HD21 ASN A 66 3.067 9.400 6.828 1.00 0.00 H new ATOM 0 HD22 ASN A 66 2.421 9.537 5.189 1.00 0.00 H new ATOM 789 N ASN A 67 3.405 9.725 3.059 1.00 0.00 N ATOM 790 CA ASN A 67 3.131 8.417 2.416 1.00 0.00 C ATOM 791 C ASN A 67 2.057 7.641 3.168 1.00 0.00 C ATOM 792 O ASN A 67 2.254 7.250 4.301 1.00 0.00 O ATOM 793 CB ASN A 67 4.426 7.579 2.421 1.00 0.00 C ATOM 794 CG ASN A 67 5.514 8.301 3.219 1.00 0.00 C ATOM 795 OD1 ASN A 67 5.293 8.757 4.324 1.00 0.00 O ATOM 796 ND2 ASN A 67 6.706 8.422 2.698 1.00 0.00 N ATOM 0 H ASN A 67 4.364 9.864 3.376 1.00 0.00 H new ATOM 0 HA ASN A 67 2.782 8.603 1.400 1.00 0.00 H new ATOM 0 HB2 ASN A 67 4.233 6.599 2.858 1.00 0.00 H new ATOM 0 HB3 ASN A 67 4.764 7.411 1.398 1.00 0.00 H new ATOM 0 HD21 ASN A 67 7.444 8.897 3.218 1.00 0.00 H new ATOM 0 HD22 ASN A 67 6.899 8.042 1.771 1.00 0.00 H new ATOM 803 N LYS A 68 0.936 7.426 2.525 1.00 0.00 N ATOM 804 CA LYS A 68 -0.142 6.676 3.200 1.00 0.00 C ATOM 805 C LYS A 68 0.080 5.191 2.951 1.00 0.00 C ATOM 806 O LYS A 68 0.278 4.774 1.830 1.00 0.00 O ATOM 807 CB LYS A 68 -1.495 7.114 2.587 1.00 0.00 C ATOM 808 CG LYS A 68 -2.656 6.834 3.570 1.00 0.00 C ATOM 809 CD LYS A 68 -3.131 5.389 3.407 1.00 0.00 C ATOM 810 CE LYS A 68 -4.347 5.161 4.302 1.00 0.00 C ATOM 811 NZ LYS A 68 -5.582 5.665 3.639 1.00 0.00 N ATOM 0 H LYS A 68 0.731 7.736 1.575 1.00 0.00 H new ATOM 0 HA LYS A 68 -0.144 6.871 4.272 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -1.464 8.177 2.346 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -1.666 6.580 1.652 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -2.327 7.006 4.595 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -3.480 7.522 3.380 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -3.388 5.192 2.366 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -2.332 4.698 3.674 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -4.452 4.098 4.520 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -4.205 5.670 5.256 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -6.400 5.503 4.260 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -5.485 6.684 3.453 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -5.724 5.161 2.740 1.00 0.00 H new ATOM 825 N LEU A 69 0.043 4.417 4.002 1.00 0.00 N ATOM 826 CA LEU A 69 0.259 2.957 3.839 1.00 0.00 C ATOM 827 C LEU A 69 -1.037 2.163 3.703 1.00 0.00 C ATOM 828 O LEU A 69 -1.982 2.358 4.442 1.00 0.00 O ATOM 829 CB LEU A 69 1.000 2.450 5.089 1.00 0.00 C ATOM 830 CG LEU A 69 1.854 1.235 4.716 1.00 0.00 C ATOM 831 CD1 LEU A 69 3.281 1.703 4.403 1.00 0.00 C ATOM 832 CD2 LEU A 69 1.893 0.265 5.901 1.00 0.00 C ATOM 0 H LEU A 69 -0.126 4.732 4.957 1.00 0.00 H new ATOM 0 HA LEU A 69 0.826 2.810 2.920 1.00 0.00 H new ATOM 0 HB2 LEU A 69 1.630 3.240 5.497 1.00 0.00 H new ATOM 0 HB3 LEU A 69 0.284 2.181 5.865 1.00 0.00 H new ATOM 0 HG LEU A 69 1.428 0.737 3.845 1.00 0.00 H new ATOM 0 HD11 LEU A 69 3.896 0.843 4.136 1.00 0.00 H new ATOM 0 HD12 LEU A 69 3.259 2.406 3.570 1.00 0.00 H new ATOM 0 HD13 LEU A 69 3.704 2.193 5.280 1.00 0.00 H new ATOM 0 HD21 LEU A 69 2.500 -0.602 5.641 1.00 0.00 H new ATOM 0 HD22 LEU A 69 2.327 0.765 6.767 1.00 0.00 H new ATOM 0 HD23 LEU A 69 0.880 -0.059 6.139 1.00 0.00 H new ATOM 844 N ILE A 70 -1.035 1.273 2.744 1.00 0.00 N ATOM 845 CA ILE A 70 -2.226 0.419 2.495 1.00 0.00 C ATOM 846 C ILE A 70 -1.742 -1.022 2.330 1.00 0.00 C ATOM 847 O ILE A 70 -0.849 -1.288 1.551 1.00 0.00 O ATOM 848 CB ILE A 70 -2.922 0.894 1.218 1.00 0.00 C ATOM 849 CG1 ILE A 70 -3.573 2.255 1.474 1.00 0.00 C ATOM 850 CG2 ILE A 70 -4.038 -0.107 0.847 1.00 0.00 C ATOM 851 CD1 ILE A 70 -3.134 3.250 0.399 1.00 0.00 C ATOM 0 H ILE A 70 -0.248 1.103 2.118 1.00 0.00 H new ATOM 0 HA ILE A 70 -2.933 0.480 3.322 1.00 0.00 H new ATOM 0 HB ILE A 70 -2.190 0.967 0.414 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -4.658 2.156 1.469 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -3.291 2.623 2.460 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -4.538 0.226 -0.063 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -3.603 -1.092 0.682 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -4.762 -0.162 1.660 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -3.600 4.217 0.586 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -2.050 3.359 0.425 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -3.438 2.884 -0.582 1.00 0.00 H new ATOM 863 N LYS A 71 -2.333 -1.926 3.059 1.00 0.00 N ATOM 864 CA LYS A 71 -1.898 -3.350 2.949 1.00 0.00 C ATOM 865 C LYS A 71 -2.551 -4.110 1.793 1.00 0.00 C ATOM 866 O LYS A 71 -3.636 -3.794 1.351 1.00 0.00 O ATOM 867 CB LYS A 71 -2.269 -4.061 4.261 1.00 0.00 C ATOM 868 CG LYS A 71 -1.562 -3.371 5.431 1.00 0.00 C ATOM 869 CD LYS A 71 -2.226 -3.799 6.742 1.00 0.00 C ATOM 870 CE LYS A 71 -1.144 -4.024 7.797 1.00 0.00 C ATOM 871 NZ LYS A 71 -0.306 -5.201 7.437 1.00 0.00 N ATOM 0 H LYS A 71 -3.089 -1.747 3.719 1.00 0.00 H new ATOM 0 HA LYS A 71 -0.825 -3.344 2.757 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -3.349 -4.036 4.408 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -1.978 -5.110 4.214 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -0.505 -3.637 5.441 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -1.617 -2.288 5.318 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -2.925 -3.033 7.077 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -2.801 -4.713 6.592 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -0.518 -3.136 7.881 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -1.605 -4.182 8.772 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 0.620 -5.124 7.904 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -0.779 -6.073 7.749 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -0.173 -5.230 6.406 1.00 0.00 H new ATOM 885 N ILE A 72 -1.833 -5.108 1.329 1.00 0.00 N ATOM 886 CA ILE A 72 -2.324 -5.955 0.208 1.00 0.00 C ATOM 887 C ILE A 72 -2.800 -7.293 0.779 1.00 0.00 C ATOM 888 O ILE A 72 -2.093 -7.893 1.564 1.00 0.00 O ATOM 889 CB ILE A 72 -1.115 -6.221 -0.723 1.00 0.00 C ATOM 890 CG1 ILE A 72 -1.014 -5.141 -1.811 1.00 0.00 C ATOM 891 CG2 ILE A 72 -1.259 -7.619 -1.386 1.00 0.00 C ATOM 892 CD1 ILE A 72 -1.984 -5.439 -2.975 1.00 0.00 C ATOM 0 H ILE A 72 -0.915 -5.370 1.689 1.00 0.00 H new ATOM 0 HA ILE A 72 -3.139 -5.469 -0.328 1.00 0.00 H new ATOM 0 HB ILE A 72 -0.206 -6.193 -0.122 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -1.243 -4.165 -1.383 1.00 0.00 H new ATOM 0 HG13 ILE A 72 0.008 -5.093 -2.187 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -0.406 -7.801 -2.040 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -1.294 -8.387 -0.613 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -2.178 -7.651 -1.971 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -1.894 -4.660 -3.732 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -1.737 -6.405 -3.416 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -3.007 -5.463 -2.599 1.00 0.00 H new ATOM 904 N PHE A 73 -3.973 -7.747 0.387 1.00 0.00 N ATOM 905 CA PHE A 73 -4.455 -9.049 0.932 1.00 0.00 C ATOM 906 C PHE A 73 -4.233 -10.171 -0.086 1.00 0.00 C ATOM 907 O PHE A 73 -5.057 -10.419 -0.933 1.00 0.00 O ATOM 908 CB PHE A 73 -5.959 -8.932 1.272 1.00 0.00 C ATOM 909 CG PHE A 73 -6.380 -7.458 1.303 1.00 0.00 C ATOM 910 CD1 PHE A 73 -5.648 -6.532 2.026 1.00 0.00 C ATOM 911 CD2 PHE A 73 -7.505 -7.036 0.616 1.00 0.00 C ATOM 912 CE1 PHE A 73 -6.033 -5.207 2.059 1.00 0.00 C ATOM 913 CE2 PHE A 73 -7.888 -5.709 0.650 1.00 0.00 C ATOM 914 CZ PHE A 73 -7.151 -4.795 1.371 1.00 0.00 C ATOM 0 H PHE A 73 -4.599 -7.281 -0.270 1.00 0.00 H new ATOM 0 HA PHE A 73 -3.893 -9.289 1.835 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -6.550 -9.471 0.532 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -6.158 -9.395 2.238 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -4.769 -6.849 2.568 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -8.087 -7.748 0.050 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -5.455 -4.492 2.626 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -8.767 -5.388 0.110 1.00 0.00 H new ATOM 0 HZ PHE A 73 -7.450 -3.758 1.396 1.00 0.00 H new ATOM 924 N HIS A 74 -3.092 -10.812 0.020 1.00 0.00 N ATOM 925 CA HIS A 74 -2.762 -11.926 -0.915 1.00 0.00 C ATOM 926 C HIS A 74 -2.796 -13.259 -0.168 1.00 0.00 C ATOM 927 O HIS A 74 -2.837 -13.277 1.047 1.00 0.00 O ATOM 928 CB HIS A 74 -1.341 -11.673 -1.454 1.00 0.00 C ATOM 929 CG HIS A 74 -0.595 -13.000 -1.625 1.00 0.00 C ATOM 930 ND1 HIS A 74 0.335 -13.393 -0.892 1.00 0.00 N ATOM 931 CD2 HIS A 74 -0.754 -13.989 -2.578 1.00 0.00 C ATOM 932 CE1 HIS A 74 0.785 -14.515 -1.271 1.00 0.00 C ATOM 933 NE2 HIS A 74 0.150 -14.980 -2.347 1.00 0.00 N ATOM 0 H HIS A 74 -2.376 -10.608 0.717 1.00 0.00 H new ATOM 0 HA HIS A 74 -3.484 -11.968 -1.730 1.00 0.00 H new ATOM 0 HB2 HIS A 74 -1.394 -11.152 -2.410 1.00 0.00 H new ATOM 0 HB3 HIS A 74 -0.794 -11.026 -0.768 1.00 0.00 H new ATOM 0 HD1 HIS A 74 0.689 -12.875 -0.088 1.00 0.00 H new ATOM 0 HD2 HIS A 74 -1.480 -13.977 -3.378 1.00 0.00 H new ATOM 0 HE1 HIS A 74 1.592 -15.036 -0.778 1.00 0.00 H new ATOM 941 N ARG A 75 -2.784 -14.355 -0.902 1.00 0.00 N ATOM 942 CA ARG A 75 -2.818 -15.687 -0.227 1.00 0.00 C ATOM 943 C ARG A 75 -1.770 -16.642 -0.793 1.00 0.00 C ATOM 944 O ARG A 75 -0.657 -16.701 -0.307 1.00 0.00 O ATOM 945 CB ARG A 75 -4.204 -16.294 -0.439 1.00 0.00 C ATOM 946 CG ARG A 75 -5.108 -15.892 0.725 1.00 0.00 C ATOM 947 CD ARG A 75 -4.953 -16.908 1.861 1.00 0.00 C ATOM 948 NE ARG A 75 -5.546 -18.206 1.435 1.00 0.00 N ATOM 949 CZ ARG A 75 -5.604 -19.193 2.288 1.00 0.00 C ATOM 950 NH1 ARG A 75 -4.533 -19.503 2.967 1.00 0.00 N ATOM 951 NH2 ARG A 75 -6.730 -19.837 2.432 1.00 0.00 N ATOM 0 H ARG A 75 -2.753 -14.379 -1.921 1.00 0.00 H new ATOM 0 HA ARG A 75 -2.600 -15.543 0.831 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -4.627 -15.946 -1.381 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -4.133 -17.380 -0.503 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -4.846 -14.894 1.076 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -6.147 -15.852 0.397 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -3.899 -17.039 2.108 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -5.449 -16.545 2.761 1.00 0.00 H new ATOM 0 HE ARG A 75 -5.903 -18.323 0.487 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -3.670 -18.977 2.827 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -4.559 -20.271 3.638 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -7.546 -19.567 1.883 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -6.794 -20.611 3.094 1.00 0.00 H new ATOM 965 N ASP A 76 -2.139 -17.370 -1.813 1.00 0.00 N ATOM 966 CA ASP A 76 -1.174 -18.324 -2.414 1.00 0.00 C ATOM 967 C ASP A 76 -0.352 -17.669 -3.513 1.00 0.00 C ATOM 968 O ASP A 76 0.818 -17.958 -3.669 1.00 0.00 O ATOM 969 CB ASP A 76 -1.965 -19.488 -3.019 1.00 0.00 C ATOM 970 CG ASP A 76 -1.623 -19.615 -4.504 1.00 0.00 C ATOM 971 OD1 ASP A 76 -0.664 -20.319 -4.779 1.00 0.00 O ATOM 972 OD2 ASP A 76 -2.339 -19.003 -5.278 1.00 0.00 O ATOM 0 H ASP A 76 -3.060 -17.343 -2.250 1.00 0.00 H new ATOM 0 HA ASP A 76 -0.491 -18.666 -1.636 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -1.725 -20.415 -2.498 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -3.035 -19.320 -2.894 1.00 0.00 H new ATOM 977 N GLY A 77 -0.970 -16.804 -4.260 1.00 0.00 N ATOM 978 CA GLY A 77 -0.222 -16.130 -5.354 1.00 0.00 C ATOM 979 C GLY A 77 -1.107 -15.118 -6.073 1.00 0.00 C ATOM 980 O GLY A 77 -0.645 -14.395 -6.934 1.00 0.00 O ATOM 0 H GLY A 77 -1.949 -16.535 -4.164 1.00 0.00 H new ATOM 0 HA2 GLY A 77 0.654 -15.627 -4.945 1.00 0.00 H new ATOM 0 HA3 GLY A 77 0.139 -16.873 -6.065 1.00 0.00 H new ATOM 984 N LYS A 78 -2.361 -15.082 -5.703 1.00 0.00 N ATOM 985 CA LYS A 78 -3.278 -14.130 -6.354 1.00 0.00 C ATOM 986 C LYS A 78 -3.302 -12.813 -5.560 1.00 0.00 C ATOM 987 O LYS A 78 -2.307 -12.454 -4.962 1.00 0.00 O ATOM 988 CB LYS A 78 -4.707 -14.776 -6.457 1.00 0.00 C ATOM 989 CG LYS A 78 -4.763 -16.158 -5.759 1.00 0.00 C ATOM 990 CD LYS A 78 -4.884 -15.967 -4.245 1.00 0.00 C ATOM 991 CE LYS A 78 -6.326 -16.279 -3.826 1.00 0.00 C ATOM 992 NZ LYS A 78 -6.649 -17.710 -4.086 1.00 0.00 N ATOM 0 H LYS A 78 -2.778 -15.671 -4.982 1.00 0.00 H new ATOM 0 HA LYS A 78 -2.936 -13.903 -7.364 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -5.441 -14.110 -6.004 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -4.982 -14.887 -7.506 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -5.612 -16.730 -6.132 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -3.865 -16.731 -5.992 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -4.188 -16.624 -3.724 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -4.623 -14.945 -3.971 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -6.459 -16.057 -2.767 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -7.017 -15.639 -4.375 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -7.313 -18.053 -3.363 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -7.083 -17.803 -5.027 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -5.776 -18.275 -4.050 1.00 0.00 H new ATOM 1006 N TYR A 79 -4.409 -12.109 -5.559 1.00 0.00 N ATOM 1007 CA TYR A 79 -4.440 -10.837 -4.798 1.00 0.00 C ATOM 1008 C TYR A 79 -5.814 -10.552 -4.231 1.00 0.00 C ATOM 1009 O TYR A 79 -6.804 -11.102 -4.672 1.00 0.00 O ATOM 1010 CB TYR A 79 -4.052 -9.707 -5.751 1.00 0.00 C ATOM 1011 CG TYR A 79 -2.537 -9.664 -5.855 1.00 0.00 C ATOM 1012 CD1 TYR A 79 -1.883 -10.418 -6.803 1.00 0.00 C ATOM 1013 CD2 TYR A 79 -1.802 -8.895 -4.986 1.00 0.00 C ATOM 1014 CE1 TYR A 79 -0.508 -10.405 -6.881 1.00 0.00 C ATOM 1015 CE2 TYR A 79 -0.426 -8.878 -5.060 1.00 0.00 C ATOM 1016 CZ TYR A 79 0.234 -9.634 -6.008 1.00 0.00 C ATOM 1017 OH TYR A 79 1.612 -9.627 -6.077 1.00 0.00 O ATOM 0 H TYR A 79 -5.271 -12.359 -6.043 1.00 0.00 H new ATOM 0 HA TYR A 79 -3.745 -10.914 -3.962 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -4.495 -9.871 -6.733 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -4.434 -8.754 -5.384 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -2.453 -11.025 -7.491 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -2.306 -8.299 -4.239 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -0.007 -11.001 -7.629 1.00 0.00 H new ATOM 0 HE2 TYR A 79 0.140 -8.269 -4.371 1.00 0.00 H new ATOM 0 HH TYR A 79 1.985 -9.593 -5.171 1.00 0.00 H new ATOM 1027 N GLY A 80 -5.841 -9.688 -3.253 1.00 0.00 N ATOM 1028 CA GLY A 80 -7.132 -9.325 -2.613 1.00 0.00 C ATOM 1029 C GLY A 80 -7.223 -7.818 -2.459 1.00 0.00 C ATOM 1030 O GLY A 80 -6.435 -7.217 -1.750 1.00 0.00 O ATOM 0 H GLY A 80 -5.021 -9.218 -2.870 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -7.963 -9.689 -3.217 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -7.213 -9.805 -1.638 1.00 0.00 H new ATOM 1034 N PHE A 81 -8.170 -7.234 -3.130 1.00 0.00 N ATOM 1035 CA PHE A 81 -8.322 -5.773 -3.032 1.00 0.00 C ATOM 1036 C PHE A 81 -9.780 -5.372 -3.165 1.00 0.00 C ATOM 1037 O PHE A 81 -10.204 -4.359 -2.645 1.00 0.00 O ATOM 1038 CB PHE A 81 -7.529 -5.135 -4.166 1.00 0.00 C ATOM 1039 CG PHE A 81 -6.617 -4.074 -3.575 1.00 0.00 C ATOM 1040 CD1 PHE A 81 -5.487 -4.435 -2.870 1.00 0.00 C ATOM 1041 CD2 PHE A 81 -6.934 -2.739 -3.699 1.00 0.00 C ATOM 1042 CE1 PHE A 81 -4.691 -3.471 -2.293 1.00 0.00 C ATOM 1043 CE2 PHE A 81 -6.138 -1.778 -3.121 1.00 0.00 C ATOM 1044 CZ PHE A 81 -5.018 -2.146 -2.418 1.00 0.00 C ATOM 0 H PHE A 81 -8.839 -7.707 -3.737 1.00 0.00 H new ATOM 0 HA PHE A 81 -7.958 -5.438 -2.061 1.00 0.00 H new ATOM 0 HB2 PHE A 81 -6.943 -5.890 -4.690 1.00 0.00 H new ATOM 0 HB3 PHE A 81 -8.204 -4.690 -4.898 1.00 0.00 H new ATOM 0 HD1 PHE A 81 -5.226 -5.478 -2.770 1.00 0.00 H new ATOM 0 HD2 PHE A 81 -7.813 -2.445 -4.254 1.00 0.00 H new ATOM 0 HE1 PHE A 81 -3.808 -3.759 -1.742 1.00 0.00 H new ATOM 0 HE2 PHE A 81 -6.394 -0.734 -3.220 1.00 0.00 H new ATOM 0 HZ PHE A 81 -4.394 -1.391 -1.963 1.00 0.00 H new ATOM 1054 N SER A 82 -10.517 -6.178 -3.862 1.00 0.00 N ATOM 1055 CA SER A 82 -11.963 -5.881 -4.056 1.00 0.00 C ATOM 1056 C SER A 82 -12.776 -7.147 -3.970 1.00 0.00 C ATOM 1057 O SER A 82 -13.587 -7.318 -3.078 1.00 0.00 O ATOM 1058 CB SER A 82 -12.154 -5.271 -5.449 1.00 0.00 C ATOM 1059 OG SER A 82 -11.260 -6.002 -6.269 1.00 0.00 O ATOM 0 H SER A 82 -10.185 -7.033 -4.309 1.00 0.00 H new ATOM 0 HA SER A 82 -12.293 -5.191 -3.280 1.00 0.00 H new ATOM 0 HB2 SER A 82 -13.184 -5.373 -5.792 1.00 0.00 H new ATOM 0 HB3 SER A 82 -11.920 -4.206 -5.454 1.00 0.00 H new ATOM 0 HG SER A 82 -11.616 -6.049 -7.181 1.00 0.00 H new ATOM 1065 N ASP A 83 -12.551 -8.011 -4.898 1.00 0.00 N ATOM 1066 CA ASP A 83 -13.294 -9.278 -4.901 1.00 0.00 C ATOM 1067 C ASP A 83 -12.694 -10.218 -3.829 1.00 0.00 C ATOM 1068 O ASP A 83 -11.524 -10.120 -3.532 1.00 0.00 O ATOM 1069 CB ASP A 83 -13.125 -9.914 -6.295 1.00 0.00 C ATOM 1070 CG ASP A 83 -14.432 -9.768 -7.085 1.00 0.00 C ATOM 1071 OD1 ASP A 83 -15.363 -10.471 -6.731 1.00 0.00 O ATOM 1072 OD2 ASP A 83 -14.422 -8.961 -8.001 1.00 0.00 O ATOM 0 H ASP A 83 -11.881 -7.894 -5.658 1.00 0.00 H new ATOM 0 HA ASP A 83 -14.349 -9.112 -4.681 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -12.308 -9.431 -6.830 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -12.863 -10.967 -6.197 1.00 0.00 H new ATOM 1077 N PRO A 84 -13.505 -11.114 -3.253 1.00 0.00 N ATOM 1078 CA PRO A 84 -12.999 -12.034 -2.231 1.00 0.00 C ATOM 1079 C PRO A 84 -11.897 -12.935 -2.808 1.00 0.00 C ATOM 1080 O PRO A 84 -12.108 -14.107 -3.045 1.00 0.00 O ATOM 1081 CB PRO A 84 -14.238 -12.877 -1.809 1.00 0.00 C ATOM 1082 CG PRO A 84 -15.405 -12.481 -2.759 1.00 0.00 C ATOM 1083 CD PRO A 84 -14.933 -11.275 -3.587 1.00 0.00 C ATOM 0 HA PRO A 84 -12.553 -11.508 -1.387 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -14.023 -13.943 -1.886 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -14.503 -12.679 -0.770 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -15.670 -13.314 -3.410 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -16.297 -12.228 -2.186 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -15.071 -11.451 -4.654 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -15.500 -10.378 -3.336 1.00 0.00 H new ATOM 1091 N LEU A 85 -10.734 -12.351 -3.013 1.00 0.00 N ATOM 1092 CA LEU A 85 -9.593 -13.128 -3.571 1.00 0.00 C ATOM 1093 C LEU A 85 -10.081 -14.185 -4.556 1.00 0.00 C ATOM 1094 O LEU A 85 -9.840 -15.365 -4.382 1.00 0.00 O ATOM 1095 CB LEU A 85 -8.852 -13.797 -2.398 1.00 0.00 C ATOM 1096 CG LEU A 85 -7.856 -12.790 -1.815 1.00 0.00 C ATOM 1097 CD1 LEU A 85 -7.763 -12.974 -0.309 1.00 0.00 C ATOM 1098 CD2 LEU A 85 -6.480 -13.019 -2.430 1.00 0.00 C ATOM 0 H LEU A 85 -10.534 -11.370 -2.816 1.00 0.00 H new ATOM 0 HA LEU A 85 -8.924 -12.459 -4.113 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -9.561 -14.114 -1.634 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -8.331 -14.691 -2.740 1.00 0.00 H new ATOM 0 HG LEU A 85 -8.197 -11.779 -2.040 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -7.053 -12.256 0.102 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -8.744 -12.812 0.139 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -7.425 -13.986 -0.086 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -5.772 -12.302 -2.015 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -6.145 -14.032 -2.205 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -6.538 -12.887 -3.510 1.00 0.00 H new ATOM 1110 N THR A 86 -10.772 -13.725 -5.577 1.00 0.00 N ATOM 1111 CA THR A 86 -11.300 -14.662 -6.601 1.00 0.00 C ATOM 1112 C THR A 86 -10.857 -14.252 -8.000 1.00 0.00 C ATOM 1113 O THR A 86 -11.086 -14.971 -8.952 1.00 0.00 O ATOM 1114 CB THR A 86 -12.832 -14.625 -6.544 1.00 0.00 C ATOM 1115 OG1 THR A 86 -13.148 -14.215 -5.229 1.00 0.00 O ATOM 1116 CG2 THR A 86 -13.421 -16.041 -6.657 1.00 0.00 C ATOM 0 H THR A 86 -10.988 -12.741 -5.737 1.00 0.00 H new ATOM 0 HA THR A 86 -10.918 -15.662 -6.394 1.00 0.00 H new ATOM 0 HB THR A 86 -13.214 -13.988 -7.342 1.00 0.00 H new ATOM 0 HG1 THR A 86 -12.646 -14.759 -4.587 1.00 0.00 H new ATOM 0 HG21 THR A 86 -14.509 -15.987 -6.614 1.00 0.00 H new ATOM 0 HG22 THR A 86 -13.117 -16.487 -7.604 1.00 0.00 H new ATOM 0 HG23 THR A 86 -13.055 -16.654 -5.833 1.00 0.00 H new ATOM 1124 N PHE A 87 -10.227 -13.103 -8.113 1.00 0.00 N ATOM 1125 CA PHE A 87 -9.782 -12.678 -9.460 1.00 0.00 C ATOM 1126 C PHE A 87 -8.445 -13.303 -9.770 1.00 0.00 C ATOM 1127 O PHE A 87 -8.363 -14.503 -9.942 1.00 0.00 O ATOM 1128 CB PHE A 87 -9.692 -11.128 -9.555 1.00 0.00 C ATOM 1129 CG PHE A 87 -9.056 -10.505 -8.303 1.00 0.00 C ATOM 1130 CD1 PHE A 87 -9.720 -10.511 -7.086 1.00 0.00 C ATOM 1131 CD2 PHE A 87 -7.836 -9.845 -8.396 1.00 0.00 C ATOM 1132 CE1 PHE A 87 -9.174 -9.866 -5.992 1.00 0.00 C ATOM 1133 CE2 PHE A 87 -7.301 -9.205 -7.303 1.00 0.00 C ATOM 1134 CZ PHE A 87 -7.967 -9.214 -6.106 1.00 0.00 C ATOM 0 H PHE A 87 -10.011 -12.464 -7.348 1.00 0.00 H new ATOM 0 HA PHE A 87 -10.516 -13.014 -10.193 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -9.107 -10.853 -10.433 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -10.691 -10.716 -9.696 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -10.667 -11.021 -6.992 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -7.303 -9.835 -9.336 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -9.695 -9.874 -5.046 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -6.353 -8.694 -7.388 1.00 0.00 H new ATOM 0 HZ PHE A 87 -7.544 -8.709 -5.250 1.00 0.00 H new ATOM 1144 N ASN A 88 -7.412 -12.521 -9.839 1.00 0.00 N ATOM 1145 CA ASN A 88 -6.099 -13.155 -10.146 1.00 0.00 C ATOM 1146 C ASN A 88 -4.936 -12.174 -10.230 1.00 0.00 C ATOM 1147 O ASN A 88 -3.797 -12.584 -10.144 1.00 0.00 O ATOM 1148 CB ASN A 88 -6.214 -13.877 -11.499 1.00 0.00 C ATOM 1149 CG ASN A 88 -7.253 -13.167 -12.371 1.00 0.00 C ATOM 1150 OD1 ASN A 88 -8.176 -13.774 -12.874 1.00 0.00 O ATOM 1151 ND2 ASN A 88 -7.139 -11.884 -12.573 1.00 0.00 N ATOM 0 H ASN A 88 -7.410 -11.510 -9.703 1.00 0.00 H new ATOM 0 HA ASN A 88 -5.881 -13.834 -9.321 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -5.247 -13.886 -12.002 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -6.503 -14.917 -11.345 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -7.823 -11.396 -13.151 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -6.366 -11.368 -12.153 1.00 0.00 H new ATOM 1158 N SER A 89 -5.202 -10.914 -10.394 1.00 0.00 N ATOM 1159 CA SER A 89 -4.042 -9.985 -10.474 1.00 0.00 C ATOM 1160 C SER A 89 -4.377 -8.540 -10.173 1.00 0.00 C ATOM 1161 O SER A 89 -5.528 -8.106 -10.191 1.00 0.00 O ATOM 1162 CB SER A 89 -3.467 -10.049 -11.869 1.00 0.00 C ATOM 1163 OG SER A 89 -2.497 -9.021 -11.887 1.00 0.00 O ATOM 0 H SER A 89 -6.129 -10.497 -10.474 1.00 0.00 H new ATOM 0 HA SER A 89 -3.337 -10.313 -9.710 1.00 0.00 H new ATOM 0 HB2 SER A 89 -3.021 -11.022 -12.072 1.00 0.00 H new ATOM 0 HB3 SER A 89 -4.235 -9.886 -12.625 1.00 0.00 H new ATOM 0 HG SER A 89 -1.650 -9.376 -12.230 1.00 0.00 H new ATOM 1169 N VAL A 90 -3.333 -7.806 -9.966 1.00 0.00 N ATOM 1170 CA VAL A 90 -3.484 -6.379 -9.659 1.00 0.00 C ATOM 1171 C VAL A 90 -3.542 -5.570 -10.929 1.00 0.00 C ATOM 1172 O VAL A 90 -4.352 -4.676 -11.062 1.00 0.00 O ATOM 1173 CB VAL A 90 -2.267 -5.937 -8.828 1.00 0.00 C ATOM 1174 CG1 VAL A 90 -2.686 -4.831 -7.856 1.00 0.00 C ATOM 1175 CG2 VAL A 90 -1.746 -7.135 -8.025 1.00 0.00 C ATOM 0 H VAL A 90 -2.371 -8.143 -9.998 1.00 0.00 H new ATOM 0 HA VAL A 90 -4.409 -6.219 -9.105 1.00 0.00 H new ATOM 0 HB VAL A 90 -1.488 -5.565 -9.493 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -1.824 -4.518 -7.267 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -3.070 -3.980 -8.418 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -3.463 -5.207 -7.190 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -0.883 -6.829 -7.433 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -2.531 -7.497 -7.361 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -1.453 -7.932 -8.709 1.00 0.00 H new ATOM 1185 N VAL A 91 -2.690 -5.901 -11.849 1.00 0.00 N ATOM 1186 CA VAL A 91 -2.686 -5.157 -13.117 1.00 0.00 C ATOM 1187 C VAL A 91 -4.088 -5.069 -13.630 1.00 0.00 C ATOM 1188 O VAL A 91 -4.477 -4.093 -14.212 1.00 0.00 O ATOM 1189 CB VAL A 91 -1.821 -5.919 -14.139 1.00 0.00 C ATOM 1190 CG1 VAL A 91 -1.207 -4.942 -15.152 1.00 0.00 C ATOM 1191 CG2 VAL A 91 -0.703 -6.626 -13.410 1.00 0.00 C ATOM 0 H VAL A 91 -2.002 -6.651 -11.774 1.00 0.00 H new ATOM 0 HA VAL A 91 -2.283 -4.156 -12.964 1.00 0.00 H new ATOM 0 HB VAL A 91 -2.448 -6.638 -14.666 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -0.598 -5.495 -15.868 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -2.003 -4.418 -15.681 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -0.583 -4.219 -14.627 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -0.086 -7.168 -14.127 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -0.090 -5.893 -12.885 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -1.125 -7.328 -12.691 1.00 0.00 H new ATOM 1201 N GLU A 92 -4.828 -6.105 -13.403 1.00 0.00 N ATOM 1202 CA GLU A 92 -6.219 -6.106 -13.867 1.00 0.00 C ATOM 1203 C GLU A 92 -7.001 -5.130 -13.024 1.00 0.00 C ATOM 1204 O GLU A 92 -7.687 -4.263 -13.534 1.00 0.00 O ATOM 1205 CB GLU A 92 -6.803 -7.512 -13.677 1.00 0.00 C ATOM 1206 CG GLU A 92 -8.020 -7.674 -14.587 1.00 0.00 C ATOM 1207 CD GLU A 92 -8.654 -9.046 -14.348 1.00 0.00 C ATOM 1208 OE1 GLU A 92 -7.884 -9.984 -14.232 1.00 0.00 O ATOM 1209 OE2 GLU A 92 -9.873 -9.078 -14.296 1.00 0.00 O ATOM 0 H GLU A 92 -4.526 -6.949 -12.916 1.00 0.00 H new ATOM 0 HA GLU A 92 -6.271 -5.823 -14.918 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -6.053 -8.266 -13.914 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -7.089 -7.663 -12.636 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -8.746 -6.886 -14.386 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -7.723 -7.575 -15.631 1.00 0.00 H new ATOM 1216 N LEU A 93 -6.880 -5.284 -11.732 1.00 0.00 N ATOM 1217 CA LEU A 93 -7.605 -4.371 -10.823 1.00 0.00 C ATOM 1218 C LEU A 93 -7.045 -2.959 -10.942 1.00 0.00 C ATOM 1219 O LEU A 93 -7.689 -2.069 -11.471 1.00 0.00 O ATOM 1220 CB LEU A 93 -7.387 -4.877 -9.385 1.00 0.00 C ATOM 1221 CG LEU A 93 -8.077 -3.938 -8.393 1.00 0.00 C ATOM 1222 CD1 LEU A 93 -9.017 -4.749 -7.515 1.00 0.00 C ATOM 1223 CD2 LEU A 93 -7.027 -3.264 -7.503 1.00 0.00 C ATOM 0 H LEU A 93 -6.313 -5.999 -11.276 1.00 0.00 H new ATOM 0 HA LEU A 93 -8.664 -4.350 -11.078 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -7.785 -5.886 -9.281 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -6.320 -4.931 -9.167 1.00 0.00 H new ATOM 0 HG LEU A 93 -8.634 -3.178 -8.941 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -9.513 -4.087 -6.805 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -9.765 -5.239 -8.138 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -8.448 -5.503 -6.972 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -7.522 -2.596 -6.798 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -6.473 -4.025 -6.954 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -6.338 -2.691 -8.123 1.00 0.00 H new ATOM 1235 N ILE A 94 -5.863 -2.784 -10.428 1.00 0.00 N ATOM 1236 CA ILE A 94 -5.215 -1.455 -10.482 1.00 0.00 C ATOM 1237 C ILE A 94 -5.490 -0.757 -11.817 1.00 0.00 C ATOM 1238 O ILE A 94 -5.646 0.447 -11.862 1.00 0.00 O ATOM 1239 CB ILE A 94 -3.688 -1.672 -10.279 1.00 0.00 C ATOM 1240 CG1 ILE A 94 -3.169 -0.862 -9.078 1.00 0.00 C ATOM 1241 CG2 ILE A 94 -2.885 -1.263 -11.546 1.00 0.00 C ATOM 1242 CD1 ILE A 94 -3.563 0.628 -9.185 1.00 0.00 C ATOM 0 H ILE A 94 -5.316 -3.513 -9.970 1.00 0.00 H new ATOM 0 HA ILE A 94 -5.618 -0.810 -9.701 1.00 0.00 H new ATOM 0 HB ILE A 94 -3.542 -2.736 -10.090 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -3.571 -1.280 -8.155 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -2.084 -0.949 -9.021 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -1.822 -1.427 -11.371 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -3.211 -1.866 -12.394 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -3.059 -0.209 -11.763 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -3.180 1.169 -8.320 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -3.139 1.052 -10.095 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -4.649 0.716 -9.216 1.00 0.00 H new ATOM 1254 N ASN A 95 -5.540 -1.519 -12.881 1.00 0.00 N ATOM 1255 CA ASN A 95 -5.807 -0.887 -14.198 1.00 0.00 C ATOM 1256 C ASN A 95 -7.182 -0.256 -14.201 1.00 0.00 C ATOM 1257 O ASN A 95 -7.348 0.895 -14.574 1.00 0.00 O ATOM 1258 CB ASN A 95 -5.770 -1.962 -15.292 1.00 0.00 C ATOM 1259 CG ASN A 95 -6.477 -1.431 -16.539 1.00 0.00 C ATOM 1260 OD1 ASN A 95 -7.688 -1.352 -16.591 1.00 0.00 O ATOM 1261 ND2 ASN A 95 -5.762 -1.056 -17.565 1.00 0.00 N ATOM 0 H ASN A 95 -5.410 -2.531 -12.892 1.00 0.00 H new ATOM 0 HA ASN A 95 -5.050 -0.125 -14.383 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -4.738 -2.224 -15.527 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -6.258 -2.872 -14.942 1.00 0.00 H new ATOM 0 HD21 ASN A 95 -6.221 -0.699 -18.403 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -4.745 -1.120 -17.528 1.00 0.00 H new ATOM 1268 N HIS A 96 -8.157 -1.021 -13.773 1.00 0.00 N ATOM 1269 CA HIS A 96 -9.532 -0.489 -13.742 1.00 0.00 C ATOM 1270 C HIS A 96 -9.614 0.743 -12.853 1.00 0.00 C ATOM 1271 O HIS A 96 -10.550 1.509 -12.946 1.00 0.00 O ATOM 1272 CB HIS A 96 -10.461 -1.575 -13.177 1.00 0.00 C ATOM 1273 CG HIS A 96 -11.920 -1.156 -13.396 1.00 0.00 C ATOM 1274 ND1 HIS A 96 -12.619 -0.544 -12.562 1.00 0.00 N ATOM 1275 CD2 HIS A 96 -12.738 -1.348 -14.493 1.00 0.00 C ATOM 1276 CE1 HIS A 96 -13.787 -0.325 -13.005 1.00 0.00 C ATOM 1277 NE2 HIS A 96 -13.961 -0.805 -14.237 1.00 0.00 N ATOM 0 H HIS A 96 -8.050 -1.982 -13.448 1.00 0.00 H new ATOM 0 HA HIS A 96 -9.829 -0.209 -14.753 1.00 0.00 H new ATOM 0 HB2 HIS A 96 -10.266 -2.528 -13.668 1.00 0.00 H new ATOM 0 HB3 HIS A 96 -10.267 -1.719 -12.114 1.00 0.00 H new ATOM 0 HD2 HIS A 96 -12.453 -1.848 -15.407 1.00 0.00 H new ATOM 0 HE1 HIS A 96 -14.554 0.192 -12.447 1.00 0.00 H new ATOM 0 HE2 HIS A 96 -14.790 -0.774 -14.830 1.00 0.00 H new ATOM 1285 N TYR A 97 -8.627 0.914 -12.002 1.00 0.00 N ATOM 1286 CA TYR A 97 -8.640 2.101 -11.101 1.00 0.00 C ATOM 1287 C TYR A 97 -7.724 3.203 -11.618 1.00 0.00 C ATOM 1288 O TYR A 97 -7.951 4.370 -11.364 1.00 0.00 O ATOM 1289 CB TYR A 97 -8.157 1.659 -9.716 1.00 0.00 C ATOM 1290 CG TYR A 97 -9.334 1.048 -8.959 1.00 0.00 C ATOM 1291 CD1 TYR A 97 -10.430 1.816 -8.640 1.00 0.00 C ATOM 1292 CD2 TYR A 97 -9.327 -0.278 -8.609 1.00 0.00 C ATOM 1293 CE1 TYR A 97 -11.506 1.268 -7.981 1.00 0.00 C ATOM 1294 CE2 TYR A 97 -10.402 -0.834 -7.949 1.00 0.00 C ATOM 1295 CZ TYR A 97 -11.502 -0.065 -7.628 1.00 0.00 C ATOM 1296 OH TYR A 97 -12.578 -0.619 -6.964 1.00 0.00 O ATOM 0 H TYR A 97 -7.827 0.290 -11.897 1.00 0.00 H new ATOM 0 HA TYR A 97 -9.654 2.497 -11.057 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -7.351 0.932 -9.811 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -7.755 2.510 -9.166 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -10.446 2.862 -8.910 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -8.472 -0.892 -8.852 1.00 0.00 H new ATOM 0 HE1 TYR A 97 -12.359 1.885 -7.739 1.00 0.00 H new ATOM 0 HE2 TYR A 97 -10.383 -1.880 -7.681 1.00 0.00 H new ATOM 0 HH TYR A 97 -12.405 -1.569 -6.795 1.00 0.00 H new ATOM 1306 N ARG A 98 -6.706 2.822 -12.335 1.00 0.00 N ATOM 1307 CA ARG A 98 -5.771 3.844 -12.872 1.00 0.00 C ATOM 1308 C ARG A 98 -6.494 4.775 -13.827 1.00 0.00 C ATOM 1309 O ARG A 98 -6.211 5.955 -13.888 1.00 0.00 O ATOM 1310 CB ARG A 98 -4.657 3.121 -13.638 1.00 0.00 C ATOM 1311 CG ARG A 98 -3.315 3.397 -12.960 1.00 0.00 C ATOM 1312 CD ARG A 98 -2.230 2.558 -13.643 1.00 0.00 C ATOM 1313 NE ARG A 98 -2.001 3.094 -15.016 1.00 0.00 N ATOM 1314 CZ ARG A 98 -0.904 2.785 -15.652 1.00 0.00 C ATOM 1315 NH1 ARG A 98 0.245 2.991 -15.067 1.00 0.00 N ATOM 1316 NH2 ARG A 98 -0.991 2.284 -16.855 1.00 0.00 N ATOM 0 H ARG A 98 -6.483 1.855 -12.571 1.00 0.00 H new ATOM 0 HA ARG A 98 -5.364 4.430 -12.048 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -4.852 2.049 -13.660 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -4.631 3.462 -14.673 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -3.070 4.457 -13.028 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -3.371 3.150 -11.900 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -1.306 2.593 -13.065 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -2.536 1.513 -13.692 1.00 0.00 H new ATOM 0 HE ARG A 98 -2.697 3.698 -15.455 1.00 0.00 H new ATOM 0 HH11 ARG A 98 0.275 3.388 -14.128 1.00 0.00 H new ATOM 0 HH12 ARG A 98 1.112 2.755 -15.549 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -1.906 2.140 -17.283 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -0.144 2.037 -17.367 1.00 0.00 H new ATOM 1330 N ASN A 99 -7.414 4.226 -14.554 1.00 0.00 N ATOM 1331 CA ASN A 99 -8.178 5.050 -15.520 1.00 0.00 C ATOM 1332 C ASN A 99 -9.413 5.651 -14.869 1.00 0.00 C ATOM 1333 O ASN A 99 -10.044 6.529 -15.422 1.00 0.00 O ATOM 1334 CB ASN A 99 -8.639 4.130 -16.632 1.00 0.00 C ATOM 1335 CG ASN A 99 -8.036 4.584 -17.964 1.00 0.00 C ATOM 1336 OD1 ASN A 99 -8.443 5.575 -18.535 1.00 0.00 O ATOM 1337 ND2 ASN A 99 -7.065 3.888 -18.492 1.00 0.00 N ATOM 0 H ASN A 99 -7.672 3.240 -14.522 1.00 0.00 H new ATOM 0 HA ASN A 99 -7.545 5.859 -15.885 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -8.338 3.105 -16.417 1.00 0.00 H new ATOM 0 HB3 ASN A 99 -9.727 4.136 -16.694 1.00 0.00 H new ATOM 0 HD21 ASN A 99 -6.653 4.178 -19.379 1.00 0.00 H new ATOM 0 HD22 ASN A 99 -6.718 3.054 -18.017 1.00 0.00 H new ATOM 1344 N GLU A 100 -9.725 5.159 -13.704 1.00 0.00 N ATOM 1345 CA GLU A 100 -10.922 5.669 -12.970 1.00 0.00 C ATOM 1346 C GLU A 100 -10.574 6.306 -11.623 1.00 0.00 C ATOM 1347 O GLU A 100 -10.076 7.411 -11.573 1.00 0.00 O ATOM 1348 CB GLU A 100 -11.857 4.482 -12.733 1.00 0.00 C ATOM 1349 CG GLU A 100 -12.243 3.886 -14.087 1.00 0.00 C ATOM 1350 CD GLU A 100 -13.657 3.310 -14.004 1.00 0.00 C ATOM 1351 OE1 GLU A 100 -13.805 2.341 -13.280 1.00 0.00 O ATOM 1352 OE2 GLU A 100 -14.511 3.872 -14.670 1.00 0.00 O ATOM 0 H GLU A 100 -9.204 4.425 -13.225 1.00 0.00 H new ATOM 0 HA GLU A 100 -11.386 6.448 -13.575 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -11.365 3.731 -12.116 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -12.748 4.804 -12.194 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -12.195 4.652 -14.861 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -11.536 3.105 -14.368 1.00 0.00 H new ATOM 1359 N SER A 101 -10.837 5.590 -10.553 1.00 0.00 N ATOM 1360 CA SER A 101 -10.532 6.144 -9.205 1.00 0.00 C ATOM 1361 C SER A 101 -11.047 5.210 -8.127 1.00 0.00 C ATOM 1362 O SER A 101 -12.035 4.527 -8.321 1.00 0.00 O ATOM 1363 CB SER A 101 -11.262 7.486 -9.058 1.00 0.00 C ATOM 1364 OG SER A 101 -10.316 8.450 -9.481 1.00 0.00 O ATOM 0 H SER A 101 -11.246 4.655 -10.560 1.00 0.00 H new ATOM 0 HA SER A 101 -9.454 6.264 -9.101 1.00 0.00 H new ATOM 0 HB2 SER A 101 -12.163 7.518 -9.671 1.00 0.00 H new ATOM 0 HB3 SER A 101 -11.572 7.659 -8.027 1.00 0.00 H new ATOM 0 HG SER A 101 -10.190 8.381 -10.450 1.00 0.00 H new ATOM 1370 N LEU A 102 -10.383 5.191 -7.008 1.00 0.00 N ATOM 1371 CA LEU A 102 -10.839 4.295 -5.920 1.00 0.00 C ATOM 1372 C LEU A 102 -11.805 5.007 -4.991 1.00 0.00 C ATOM 1373 O LEU A 102 -11.403 5.627 -4.023 1.00 0.00 O ATOM 1374 CB LEU A 102 -9.622 3.833 -5.104 1.00 0.00 C ATOM 1375 CG LEU A 102 -8.562 3.249 -6.048 1.00 0.00 C ATOM 1376 CD1 LEU A 102 -7.256 4.005 -5.845 1.00 0.00 C ATOM 1377 CD2 LEU A 102 -8.338 1.771 -5.716 1.00 0.00 C ATOM 0 H LEU A 102 -9.555 5.750 -6.803 1.00 0.00 H new ATOM 0 HA LEU A 102 -11.349 3.444 -6.370 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -9.205 4.672 -4.547 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -9.925 3.084 -4.373 1.00 0.00 H new ATOM 0 HG LEU A 102 -8.897 3.343 -7.081 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -6.494 3.600 -6.510 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -7.408 5.061 -6.068 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -6.930 3.896 -4.811 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -7.585 1.357 -6.387 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -7.996 1.677 -4.685 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -9.273 1.225 -5.839 1.00 0.00 H new ATOM 1389 N ALA A 103 -13.064 4.928 -5.315 1.00 0.00 N ATOM 1390 CA ALA A 103 -14.076 5.589 -4.463 1.00 0.00 C ATOM 1391 C ALA A 103 -14.589 4.615 -3.411 1.00 0.00 C ATOM 1392 O ALA A 103 -15.501 4.920 -2.667 1.00 0.00 O ATOM 1393 CB ALA A 103 -15.252 6.031 -5.351 1.00 0.00 C ATOM 0 H ALA A 103 -13.430 4.436 -6.130 1.00 0.00 H new ATOM 0 HA ALA A 103 -13.627 6.449 -3.966 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -16.008 6.521 -4.737 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -14.894 6.727 -6.109 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -15.689 5.159 -5.837 1.00 0.00 H new ATOM 1399 N GLN A 104 -13.988 3.454 -3.371 1.00 0.00 N ATOM 1400 CA GLN A 104 -14.410 2.440 -2.390 1.00 0.00 C ATOM 1401 C GLN A 104 -13.849 2.725 -0.999 1.00 0.00 C ATOM 1402 O GLN A 104 -14.444 2.345 -0.010 1.00 0.00 O ATOM 1403 CB GLN A 104 -13.856 1.110 -2.877 1.00 0.00 C ATOM 1404 CG GLN A 104 -14.632 -0.042 -2.257 1.00 0.00 C ATOM 1405 CD GLN A 104 -14.176 -1.323 -2.933 1.00 0.00 C ATOM 1406 OE1 GLN A 104 -14.633 -2.407 -2.625 1.00 0.00 O ATOM 1407 NE2 GLN A 104 -13.265 -1.238 -3.866 1.00 0.00 N ATOM 0 H GLN A 104 -13.221 3.174 -3.983 1.00 0.00 H new ATOM 0 HA GLN A 104 -15.497 2.439 -2.310 1.00 0.00 H new ATOM 0 HB2 GLN A 104 -13.920 1.057 -3.964 1.00 0.00 H new ATOM 0 HB3 GLN A 104 -12.801 1.030 -2.615 1.00 0.00 H new ATOM 0 HG2 GLN A 104 -14.451 -0.091 -1.183 1.00 0.00 H new ATOM 0 HG3 GLN A 104 -15.704 0.102 -2.393 1.00 0.00 H new ATOM 0 HE21 GLN A 104 -12.882 -0.328 -4.124 1.00 0.00 H new ATOM 0 HE22 GLN A 104 -12.937 -2.081 -4.337 1.00 0.00 H new ATOM 1416 N TYR A 105 -12.705 3.377 -0.945 1.00 0.00 N ATOM 1417 CA TYR A 105 -12.101 3.685 0.386 1.00 0.00 C ATOM 1418 C TYR A 105 -13.170 4.081 1.405 1.00 0.00 C ATOM 1419 O TYR A 105 -13.695 3.234 2.104 1.00 0.00 O ATOM 1420 CB TYR A 105 -11.105 4.844 0.216 1.00 0.00 C ATOM 1421 CG TYR A 105 -9.695 4.271 -0.009 1.00 0.00 C ATOM 1422 CD1 TYR A 105 -9.281 3.897 -1.274 1.00 0.00 C ATOM 1423 CD2 TYR A 105 -8.816 4.124 1.050 1.00 0.00 C ATOM 1424 CE1 TYR A 105 -8.014 3.389 -1.476 1.00 0.00 C ATOM 1425 CE2 TYR A 105 -7.551 3.616 0.844 1.00 0.00 C ATOM 1426 CZ TYR A 105 -7.140 3.245 -0.420 1.00 0.00 C ATOM 1427 OH TYR A 105 -5.871 2.741 -0.624 1.00 0.00 O ATOM 0 H TYR A 105 -12.175 3.702 -1.754 1.00 0.00 H new ATOM 0 HA TYR A 105 -11.597 2.793 0.757 1.00 0.00 H new ATOM 0 HB2 TYR A 105 -11.396 5.468 -0.629 1.00 0.00 H new ATOM 0 HB3 TYR A 105 -11.115 5.480 1.101 1.00 0.00 H new ATOM 0 HD1 TYR A 105 -9.955 4.003 -2.111 1.00 0.00 H new ATOM 0 HD2 TYR A 105 -9.123 4.409 2.045 1.00 0.00 H new ATOM 0 HE1 TYR A 105 -7.705 3.102 -2.470 1.00 0.00 H new ATOM 0 HE2 TYR A 105 -6.875 3.507 1.680 1.00 0.00 H new ATOM 0 HH TYR A 105 -5.568 2.973 -1.527 1.00 0.00 H new ATOM 1437 N ASN A 106 -13.471 5.354 1.470 1.00 0.00 N ATOM 1438 CA ASN A 106 -14.505 5.828 2.437 1.00 0.00 C ATOM 1439 C ASN A 106 -15.635 6.585 1.706 1.00 0.00 C ATOM 1440 O ASN A 106 -15.454 7.034 0.591 1.00 0.00 O ATOM 1441 CB ASN A 106 -13.821 6.794 3.415 1.00 0.00 C ATOM 1442 CG ASN A 106 -13.703 6.129 4.789 1.00 0.00 C ATOM 1443 OD1 ASN A 106 -14.387 6.489 5.728 1.00 0.00 O ATOM 1444 ND2 ASN A 106 -12.845 5.159 4.949 1.00 0.00 N ATOM 0 H ASN A 106 -13.046 6.083 0.897 1.00 0.00 H new ATOM 0 HA ASN A 106 -14.939 4.972 2.954 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -12.833 7.065 3.044 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -14.396 7.717 3.494 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -12.750 4.707 5.858 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -12.269 4.853 4.165 1.00 0.00 H new ATOM 1451 N PRO A 107 -16.800 6.717 2.354 1.00 0.00 N ATOM 1452 CA PRO A 107 -17.934 7.420 1.748 1.00 0.00 C ATOM 1453 C PRO A 107 -17.611 8.886 1.501 1.00 0.00 C ATOM 1454 O PRO A 107 -16.697 9.429 2.090 1.00 0.00 O ATOM 1455 CB PRO A 107 -19.063 7.328 2.787 1.00 0.00 C ATOM 1456 CG PRO A 107 -18.470 6.653 4.059 1.00 0.00 C ATOM 1457 CD PRO A 107 -17.051 6.181 3.705 1.00 0.00 C ATOM 0 HA PRO A 107 -18.195 6.980 0.786 1.00 0.00 H new ATOM 0 HB2 PRO A 107 -19.449 8.320 3.023 1.00 0.00 H new ATOM 0 HB3 PRO A 107 -19.898 6.745 2.397 1.00 0.00 H new ATOM 0 HG2 PRO A 107 -18.445 7.356 4.891 1.00 0.00 H new ATOM 0 HG3 PRO A 107 -19.088 5.812 4.371 1.00 0.00 H new ATOM 0 HD2 PRO A 107 -16.320 6.556 4.421 1.00 0.00 H new ATOM 0 HD3 PRO A 107 -16.981 5.093 3.718 1.00 0.00 H new ATOM 1465 N LYS A 108 -18.377 9.506 0.642 1.00 0.00 N ATOM 1466 CA LYS A 108 -18.133 10.934 0.345 1.00 0.00 C ATOM 1467 C LYS A 108 -16.645 11.210 0.170 1.00 0.00 C ATOM 1468 O LYS A 108 -16.210 12.342 0.249 1.00 0.00 O ATOM 1469 CB LYS A 108 -18.645 11.758 1.529 1.00 0.00 C ATOM 1470 CG LYS A 108 -20.151 11.974 1.388 1.00 0.00 C ATOM 1471 CD LYS A 108 -20.663 12.722 2.622 1.00 0.00 C ATOM 1472 CE LYS A 108 -21.662 13.797 2.186 1.00 0.00 C ATOM 1473 NZ LYS A 108 -22.822 13.178 1.485 1.00 0.00 N ATOM 0 H LYS A 108 -19.156 9.081 0.139 1.00 0.00 H new ATOM 0 HA LYS A 108 -18.646 11.199 -0.579 1.00 0.00 H new ATOM 0 HB2 LYS A 108 -18.427 11.243 2.465 1.00 0.00 H new ATOM 0 HB3 LYS A 108 -18.131 12.719 1.566 1.00 0.00 H new ATOM 0 HG2 LYS A 108 -20.367 12.545 0.485 1.00 0.00 H new ATOM 0 HG3 LYS A 108 -20.662 11.016 1.289 1.00 0.00 H new ATOM 0 HD2 LYS A 108 -21.139 12.025 3.312 1.00 0.00 H new ATOM 0 HD3 LYS A 108 -19.830 13.179 3.156 1.00 0.00 H new ATOM 0 HE2 LYS A 108 -22.010 14.353 3.057 1.00 0.00 H new ATOM 0 HE3 LYS A 108 -21.171 14.512 1.527 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 -23.585 13.878 1.392 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 -22.527 12.860 0.540 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 -23.165 12.363 2.033 1.00 0.00 H new ATOM 1487 N LEU A 109 -15.890 10.170 -0.061 1.00 0.00 N ATOM 1488 CA LEU A 109 -14.430 10.354 -0.242 1.00 0.00 C ATOM 1489 C LEU A 109 -13.887 9.399 -1.291 1.00 0.00 C ATOM 1490 O LEU A 109 -14.125 8.209 -1.237 1.00 0.00 O ATOM 1491 CB LEU A 109 -13.735 10.060 1.095 1.00 0.00 C ATOM 1492 CG LEU A 109 -12.355 10.722 1.098 1.00 0.00 C ATOM 1493 CD1 LEU A 109 -12.468 12.111 1.726 1.00 0.00 C ATOM 1494 CD2 LEU A 109 -11.388 9.872 1.923 1.00 0.00 C ATOM 0 H LEU A 109 -16.223 9.208 -0.131 1.00 0.00 H new ATOM 0 HA LEU A 109 -14.241 11.376 -0.569 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -14.335 10.439 1.922 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -13.636 8.984 1.239 1.00 0.00 H new ATOM 0 HG LEU A 109 -11.985 10.808 0.076 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -11.488 12.589 1.731 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -13.164 12.717 1.146 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -12.833 12.019 2.749 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -10.404 10.341 1.927 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -11.756 9.792 2.946 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -11.314 8.877 1.485 1.00 0.00 H new ATOM 1506 N ASP A 110 -13.166 9.941 -2.229 1.00 0.00 N ATOM 1507 CA ASP A 110 -12.594 9.089 -3.294 1.00 0.00 C ATOM 1508 C ASP A 110 -11.288 9.679 -3.794 1.00 0.00 C ATOM 1509 O ASP A 110 -11.091 10.877 -3.738 1.00 0.00 O ATOM 1510 CB ASP A 110 -13.598 9.029 -4.458 1.00 0.00 C ATOM 1511 CG ASP A 110 -13.885 10.447 -4.954 1.00 0.00 C ATOM 1512 OD1 ASP A 110 -13.985 11.309 -4.097 1.00 0.00 O ATOM 1513 OD2 ASP A 110 -13.991 10.586 -6.161 1.00 0.00 O ATOM 0 H ASP A 110 -12.951 10.935 -2.301 1.00 0.00 H new ATOM 0 HA ASP A 110 -12.401 8.091 -2.900 1.00 0.00 H new ATOM 0 HB2 ASP A 110 -13.195 8.423 -5.269 1.00 0.00 H new ATOM 0 HB3 ASP A 110 -14.522 8.552 -4.132 1.00 0.00 H new ATOM 1518 N VAL A 111 -10.410 8.828 -4.269 1.00 0.00 N ATOM 1519 CA VAL A 111 -9.105 9.335 -4.776 1.00 0.00 C ATOM 1520 C VAL A 111 -8.738 8.689 -6.090 1.00 0.00 C ATOM 1521 O VAL A 111 -9.292 7.676 -6.473 1.00 0.00 O ATOM 1522 CB VAL A 111 -8.021 9.001 -3.737 1.00 0.00 C ATOM 1523 CG1 VAL A 111 -8.147 7.533 -3.329 1.00 0.00 C ATOM 1524 CG2 VAL A 111 -6.624 9.241 -4.328 1.00 0.00 C ATOM 0 H VAL A 111 -10.542 7.818 -4.326 1.00 0.00 H new ATOM 0 HA VAL A 111 -9.183 10.411 -4.935 1.00 0.00 H new ATOM 0 HB VAL A 111 -8.155 9.644 -2.867 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -7.380 7.293 -2.593 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -9.132 7.359 -2.897 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -8.019 6.899 -4.206 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -5.867 9.001 -3.582 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -6.485 8.606 -5.203 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -6.527 10.287 -4.619 1.00 0.00 H new ATOM 1534 N LYS A 112 -7.809 9.302 -6.753 1.00 0.00 N ATOM 1535 CA LYS A 112 -7.350 8.776 -8.061 1.00 0.00 C ATOM 1536 C LYS A 112 -5.842 8.642 -8.066 1.00 0.00 C ATOM 1537 O LYS A 112 -5.151 9.445 -7.470 1.00 0.00 O ATOM 1538 CB LYS A 112 -7.744 9.777 -9.161 1.00 0.00 C ATOM 1539 CG LYS A 112 -8.761 10.781 -8.604 1.00 0.00 C ATOM 1540 CD LYS A 112 -9.262 11.668 -9.752 1.00 0.00 C ATOM 1541 CE LYS A 112 -9.914 12.934 -9.181 1.00 0.00 C ATOM 1542 NZ LYS A 112 -11.170 12.596 -8.457 1.00 0.00 N ATOM 0 H LYS A 112 -7.342 10.154 -6.443 1.00 0.00 H new ATOM 0 HA LYS A 112 -7.807 7.802 -8.235 1.00 0.00 H new ATOM 0 HB2 LYS A 112 -6.860 10.302 -9.522 1.00 0.00 H new ATOM 0 HB3 LYS A 112 -8.170 9.247 -10.013 1.00 0.00 H new ATOM 0 HG2 LYS A 112 -9.596 10.255 -8.142 1.00 0.00 H new ATOM 0 HG3 LYS A 112 -8.301 11.393 -7.828 1.00 0.00 H new ATOM 0 HD2 LYS A 112 -8.432 11.938 -10.405 1.00 0.00 H new ATOM 0 HD3 LYS A 112 -9.981 11.120 -10.361 1.00 0.00 H new ATOM 0 HE2 LYS A 112 -9.221 13.433 -8.504 1.00 0.00 H new ATOM 0 HE3 LYS A 112 -10.130 13.634 -9.988 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 -11.649 13.472 -8.166 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 -11.796 12.051 -9.084 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 -10.944 12.029 -7.615 1.00 0.00 H new ATOM 1556 N LEU A 113 -5.353 7.622 -8.727 1.00 0.00 N ATOM 1557 CA LEU A 113 -3.886 7.424 -8.780 1.00 0.00 C ATOM 1558 C LEU A 113 -3.426 7.119 -10.219 1.00 0.00 C ATOM 1559 O LEU A 113 -3.480 6.013 -10.695 1.00 0.00 O ATOM 1560 CB LEU A 113 -3.501 6.292 -7.747 1.00 0.00 C ATOM 1561 CG LEU A 113 -3.419 4.865 -8.360 1.00 0.00 C ATOM 1562 CD1 LEU A 113 -3.217 3.877 -7.215 1.00 0.00 C ATOM 1563 CD2 LEU A 113 -4.718 4.470 -9.089 1.00 0.00 C ATOM 0 H LEU A 113 -5.908 6.927 -9.226 1.00 0.00 H new ATOM 0 HA LEU A 113 -3.362 8.336 -8.495 1.00 0.00 H new ATOM 0 HB2 LEU A 113 -2.538 6.538 -7.299 1.00 0.00 H new ATOM 0 HB3 LEU A 113 -4.235 6.287 -6.942 1.00 0.00 H new ATOM 0 HG LEU A 113 -2.601 4.850 -9.080 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -3.156 2.865 -7.614 1.00 0.00 H new ATOM 0 HD12 LEU A 113 -2.294 4.116 -6.687 1.00 0.00 H new ATOM 0 HD13 LEU A 113 -4.057 3.944 -6.524 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -4.613 3.466 -9.500 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -5.550 4.489 -8.385 1.00 0.00 H new ATOM 0 HD23 LEU A 113 -4.910 5.175 -9.898 1.00 0.00 H new ATOM 1575 N LEU A 114 -3.029 8.169 -10.902 1.00 0.00 N ATOM 1576 CA LEU A 114 -2.561 8.013 -12.292 1.00 0.00 C ATOM 1577 C LEU A 114 -1.230 8.748 -12.456 1.00 0.00 C ATOM 1578 O LEU A 114 -0.935 9.331 -13.482 1.00 0.00 O ATOM 1579 CB LEU A 114 -3.636 8.565 -13.295 1.00 0.00 C ATOM 1580 CG LEU A 114 -4.629 9.541 -12.609 1.00 0.00 C ATOM 1581 CD1 LEU A 114 -5.554 10.117 -13.683 1.00 0.00 C ATOM 1582 CD2 LEU A 114 -5.506 8.801 -11.587 1.00 0.00 C ATOM 0 H LEU A 114 -3.014 9.124 -10.544 1.00 0.00 H new ATOM 0 HA LEU A 114 -2.413 6.956 -12.513 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -3.135 9.077 -14.117 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -4.189 7.731 -13.728 1.00 0.00 H new ATOM 0 HG LEU A 114 -4.061 10.320 -12.101 1.00 0.00 H new ATOM 0 HD11 LEU A 114 -6.261 10.807 -13.222 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -4.961 10.649 -14.427 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -6.100 9.306 -14.166 1.00 0.00 H new ATOM 0 HD21 LEU A 114 -6.194 9.506 -11.120 1.00 0.00 H new ATOM 0 HD22 LEU A 114 -6.075 8.021 -12.093 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -4.873 8.351 -10.823 1.00 0.00 H new ATOM 1594 N TYR A 115 -0.451 8.685 -11.405 1.00 0.00 N ATOM 1595 CA TYR A 115 0.880 9.341 -11.395 1.00 0.00 C ATOM 1596 C TYR A 115 1.889 8.411 -10.722 1.00 0.00 C ATOM 1597 O TYR A 115 2.338 8.671 -9.621 1.00 0.00 O ATOM 1598 CB TYR A 115 0.788 10.622 -10.555 1.00 0.00 C ATOM 1599 CG TYR A 115 -0.253 11.557 -11.153 1.00 0.00 C ATOM 1600 CD1 TYR A 115 0.110 12.490 -12.097 1.00 0.00 C ATOM 1601 CD2 TYR A 115 -1.569 11.491 -10.748 1.00 0.00 C ATOM 1602 CE1 TYR A 115 -0.828 13.348 -12.629 1.00 0.00 C ATOM 1603 CE2 TYR A 115 -2.508 12.348 -11.277 1.00 0.00 C ATOM 1604 CZ TYR A 115 -2.146 13.285 -12.224 1.00 0.00 C ATOM 1605 OH TYR A 115 -3.086 14.141 -12.760 1.00 0.00 O ATOM 0 H TYR A 115 -0.691 8.197 -10.542 1.00 0.00 H new ATOM 0 HA TYR A 115 1.189 9.566 -12.416 1.00 0.00 H new ATOM 0 HB2 TYR A 115 0.521 10.376 -9.527 1.00 0.00 H new ATOM 0 HB3 TYR A 115 1.759 11.117 -10.522 1.00 0.00 H new ATOM 0 HD1 TYR A 115 1.138 12.550 -12.423 1.00 0.00 H new ATOM 0 HD2 TYR A 115 -1.866 10.761 -10.010 1.00 0.00 H new ATOM 0 HE1 TYR A 115 -0.529 14.076 -13.369 1.00 0.00 H new ATOM 0 HE2 TYR A 115 -3.535 12.287 -10.949 1.00 0.00 H new ATOM 0 HH TYR A 115 -3.962 13.956 -12.361 1.00 0.00 H new ATOM 1615 N PRO A 116 2.229 7.334 -11.399 1.00 0.00 N ATOM 1616 CA PRO A 116 3.177 6.369 -10.865 1.00 0.00 C ATOM 1617 C PRO A 116 4.604 6.873 -10.944 1.00 0.00 C ATOM 1618 O PRO A 116 4.875 7.894 -11.548 1.00 0.00 O ATOM 1619 CB PRO A 116 3.048 5.153 -11.789 1.00 0.00 C ATOM 1620 CG PRO A 116 2.232 5.611 -13.039 1.00 0.00 C ATOM 1621 CD PRO A 116 1.706 7.018 -12.740 1.00 0.00 C ATOM 0 HA PRO A 116 2.966 6.161 -9.816 1.00 0.00 H new ATOM 0 HB2 PRO A 116 4.032 4.787 -12.084 1.00 0.00 H new ATOM 0 HB3 PRO A 116 2.543 4.333 -11.278 1.00 0.00 H new ATOM 0 HG2 PRO A 116 2.861 5.616 -13.929 1.00 0.00 H new ATOM 0 HG3 PRO A 116 1.408 4.925 -13.234 1.00 0.00 H new ATOM 0 HD2 PRO A 116 2.055 7.737 -13.481 1.00 0.00 H new ATOM 0 HD3 PRO A 116 0.616 7.046 -12.757 1.00 0.00 H new ATOM 1629 N VAL A 117 5.489 6.142 -10.330 1.00 0.00 N ATOM 1630 CA VAL A 117 6.913 6.532 -10.343 1.00 0.00 C ATOM 1631 C VAL A 117 7.741 5.322 -10.685 1.00 0.00 C ATOM 1632 O VAL A 117 7.655 4.312 -10.030 1.00 0.00 O ATOM 1633 CB VAL A 117 7.325 7.025 -8.956 1.00 0.00 C ATOM 1634 CG1 VAL A 117 7.133 8.544 -8.880 1.00 0.00 C ATOM 1635 CG2 VAL A 117 6.459 6.349 -7.896 1.00 0.00 C ATOM 0 H VAL A 117 5.280 5.285 -9.817 1.00 0.00 H new ATOM 0 HA VAL A 117 7.067 7.324 -11.075 1.00 0.00 H new ATOM 0 HB VAL A 117 8.372 6.780 -8.778 1.00 0.00 H new ATOM 0 HG11 VAL A 117 7.426 8.899 -7.892 1.00 0.00 H new ATOM 0 HG12 VAL A 117 7.751 9.027 -9.637 1.00 0.00 H new ATOM 0 HG13 VAL A 117 6.085 8.788 -9.057 1.00 0.00 H new ATOM 0 HG21 VAL A 117 6.753 6.701 -6.907 1.00 0.00 H new ATOM 0 HG22 VAL A 117 5.411 6.594 -8.072 1.00 0.00 H new ATOM 0 HG23 VAL A 117 6.593 5.269 -7.951 1.00 0.00 H new ATOM 1645 N SER A 118 8.509 5.425 -11.709 1.00 0.00 N ATOM 1646 CA SER A 118 9.325 4.294 -12.089 1.00 0.00 C ATOM 1647 C SER A 118 10.531 4.728 -12.905 1.00 0.00 C ATOM 1648 O SER A 118 10.821 5.904 -13.018 1.00 0.00 O ATOM 1649 CB SER A 118 8.445 3.404 -12.940 1.00 0.00 C ATOM 1650 OG SER A 118 7.424 4.274 -13.406 1.00 0.00 O ATOM 0 H SER A 118 8.600 6.254 -12.297 1.00 0.00 H new ATOM 0 HA SER A 118 9.699 3.784 -11.201 1.00 0.00 H new ATOM 0 HB2 SER A 118 9.003 2.964 -13.767 1.00 0.00 H new ATOM 0 HB3 SER A 118 8.032 2.579 -12.360 1.00 0.00 H new ATOM 0 HG SER A 118 7.110 3.970 -14.283 1.00 0.00 H new ATOM 1656 N LYS A 119 11.208 3.757 -13.455 1.00 0.00 N ATOM 1657 CA LYS A 119 12.403 4.046 -14.275 1.00 0.00 C ATOM 1658 C LYS A 119 12.191 3.534 -15.692 1.00 0.00 C ATOM 1659 O LYS A 119 13.065 3.625 -16.530 1.00 0.00 O ATOM 1660 CB LYS A 119 13.596 3.312 -13.648 1.00 0.00 C ATOM 1661 CG LYS A 119 13.719 3.723 -12.169 1.00 0.00 C ATOM 1662 CD LYS A 119 14.099 5.210 -12.078 1.00 0.00 C ATOM 1663 CE LYS A 119 14.888 5.447 -10.789 1.00 0.00 C ATOM 1664 NZ LYS A 119 16.312 5.041 -10.963 1.00 0.00 N ATOM 0 H LYS A 119 10.976 2.768 -13.366 1.00 0.00 H new ATOM 0 HA LYS A 119 12.584 5.120 -14.309 1.00 0.00 H new ATOM 0 HB2 LYS A 119 13.459 2.234 -13.729 1.00 0.00 H new ATOM 0 HB3 LYS A 119 14.513 3.558 -14.184 1.00 0.00 H new ATOM 0 HG2 LYS A 119 12.776 3.546 -11.652 1.00 0.00 H new ATOM 0 HG3 LYS A 119 14.474 3.113 -11.673 1.00 0.00 H new ATOM 0 HD2 LYS A 119 14.696 5.499 -12.943 1.00 0.00 H new ATOM 0 HD3 LYS A 119 13.202 5.829 -12.089 1.00 0.00 H new ATOM 0 HE2 LYS A 119 14.836 6.500 -10.513 1.00 0.00 H new ATOM 0 HE3 LYS A 119 14.440 4.881 -9.973 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 16.754 4.916 -10.030 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 16.356 4.145 -11.489 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 16.821 5.778 -11.491 1.00 0.00 H new ATOM 1678 N TYR A 120 11.019 2.995 -15.926 1.00 0.00 N ATOM 1679 CA TYR A 120 10.701 2.462 -17.273 1.00 0.00 C ATOM 1680 C TYR A 120 11.172 3.417 -18.366 1.00 0.00 C ATOM 1681 O TYR A 120 11.464 4.547 -18.010 1.00 0.00 O ATOM 1682 CB TYR A 120 9.181 2.312 -17.376 1.00 0.00 C ATOM 1683 CG TYR A 120 8.823 0.852 -17.668 1.00 0.00 C ATOM 1684 CD1 TYR A 120 8.851 -0.094 -16.661 1.00 0.00 C ATOM 1685 CD2 TYR A 120 8.461 0.458 -18.942 1.00 0.00 C ATOM 1686 CE1 TYR A 120 8.521 -1.409 -16.922 1.00 0.00 C ATOM 1687 CE2 TYR A 120 8.133 -0.857 -19.203 1.00 0.00 C ATOM 1688 CZ TYR A 120 8.160 -1.801 -18.195 1.00 0.00 C ATOM 1689 OH TYR A 120 7.831 -3.116 -18.458 1.00 0.00 O ATOM 1690 OXT TYR A 120 11.210 2.965 -19.500 1.00 0.00 O ATOM 0 H TYR A 120 10.273 2.904 -15.237 1.00 0.00 H new ATOM 0 HA TYR A 120 11.207 1.506 -17.407 1.00 0.00 H new ATOM 0 HB2 TYR A 120 8.711 2.632 -16.446 1.00 0.00 H new ATOM 0 HB3 TYR A 120 8.795 2.956 -18.167 1.00 0.00 H new ATOM 0 HD1 TYR A 120 9.134 0.198 -15.660 1.00 0.00 H new ATOM 0 HD2 TYR A 120 8.435 1.185 -19.740 1.00 0.00 H new ATOM 0 HE1 TYR A 120 8.546 -2.136 -16.124 1.00 0.00 H new ATOM 0 HE2 TYR A 120 7.853 -1.150 -20.204 1.00 0.00 H new ATOM 0 HH TYR A 120 7.601 -3.212 -19.406 1.00 0.00 H new TER 1700 TYR A 120