USER MOD reduce.3.24.130724 H: found=0, std=0, add=699, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 702 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 74 HIS : no HE2:sc= -7.15! C(o=-7.2!,f=-11!) USER MOD Set 1.2: A 79 TYR OH : rot 180:sc= -0.0237 USER MOD Set 2.1: A 33 ASN : amide:sc= -0.422 K(o=-2.1,f=-3.2) USER MOD Set 2.2: A 67 ASN :FLIP amide:sc= -1.66! C(o=-6.6!,f=-2.1!) USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 TYR OH : rot 180:sc= -2.04! USER MOD Single : A 28 SER OG : rot 180:sc= -0.558 USER MOD Single : A 35 LYS NZ :NH3+ -149:sc= -0.271 (180deg=-1.13) USER MOD Single : A 39 THR OG1 : rot 124:sc= 0.941 USER MOD Single : A 43 THR OG1 : rot 150:sc= -0.0241 USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 31:sc= 0.289 USER MOD Single : A 60 THR OG1 : rot -56:sc= 0.812 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 ASN :FLIP amide:sc= -0.695 F(o=-2.2,f=-0.7) USER MOD Single : A 68 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.15) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 ASN :FLIP amide:sc= -1.7! C(o=-2.6!,f=-1.7!) USER MOD Single : A 89 SER OG : rot 180:sc= -0.0576 USER MOD Single : A 95 ASN : amide:sc= -0.748! C(o=-0.75!,f=-2.1!) USER MOD Single : A 96 HIS : no HD1:sc= -0.0689 X(o=-0.069,f=-0.16) USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 101 SER OG : rot 180:sc= -0.174 USER MOD Single : A 112 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0835) USER MOD Single : A 115 TYR OH : rot 180:sc= 0 USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 17 1.098 -9.262 -14.872 1.00 0.00 N ATOM 2 CA LEU A 17 2.076 -8.725 -13.895 1.00 0.00 C ATOM 3 C LEU A 17 3.450 -9.326 -14.150 1.00 0.00 C ATOM 4 O LEU A 17 4.116 -9.771 -13.240 1.00 0.00 O ATOM 5 CB LEU A 17 1.631 -9.078 -12.464 1.00 0.00 C ATOM 6 CG LEU A 17 2.452 -8.251 -11.447 1.00 0.00 C ATOM 7 CD1 LEU A 17 1.540 -7.275 -10.686 1.00 0.00 C ATOM 8 CD2 LEU A 17 3.085 -9.192 -10.442 1.00 0.00 C ATOM 0 HA LEU A 17 2.126 -7.642 -14.008 1.00 0.00 H new ATOM 0 HB2 LEU A 17 0.568 -8.872 -12.342 1.00 0.00 H new ATOM 0 HB3 LEU A 17 1.772 -10.143 -12.281 1.00 0.00 H new ATOM 0 HG LEU A 17 3.214 -7.689 -11.987 1.00 0.00 H new ATOM 0 HD11 LEU A 17 2.134 -6.701 -9.975 1.00 0.00 H new ATOM 0 HD12 LEU A 17 1.064 -6.595 -11.393 1.00 0.00 H new ATOM 0 HD13 LEU A 17 0.774 -7.836 -10.150 1.00 0.00 H new ATOM 0 HD21 LEU A 17 3.666 -8.617 -9.721 1.00 0.00 H new ATOM 0 HD22 LEU A 17 2.304 -9.746 -9.920 1.00 0.00 H new ATOM 0 HD23 LEU A 17 3.741 -9.891 -10.961 1.00 0.00 H new ATOM 22 N GLN A 18 3.851 -9.329 -15.391 1.00 0.00 N ATOM 23 CA GLN A 18 5.177 -9.894 -15.721 1.00 0.00 C ATOM 24 C GLN A 18 6.230 -9.180 -14.906 1.00 0.00 C ATOM 25 O GLN A 18 7.204 -9.759 -14.468 1.00 0.00 O ATOM 26 CB GLN A 18 5.443 -9.646 -17.218 1.00 0.00 C ATOM 27 CG GLN A 18 6.704 -10.397 -17.646 1.00 0.00 C ATOM 28 CD GLN A 18 7.204 -9.827 -18.976 1.00 0.00 C ATOM 29 OE1 GLN A 18 8.205 -9.140 -19.034 1.00 0.00 O ATOM 30 NE2 GLN A 18 6.538 -10.087 -20.068 1.00 0.00 N ATOM 0 H GLN A 18 3.318 -8.966 -16.182 1.00 0.00 H new ATOM 0 HA GLN A 18 5.206 -10.961 -15.501 1.00 0.00 H new ATOM 0 HB2 GLN A 18 4.590 -9.980 -17.809 1.00 0.00 H new ATOM 0 HB3 GLN A 18 5.562 -8.579 -17.405 1.00 0.00 H new ATOM 0 HG2 GLN A 18 7.476 -10.300 -16.882 1.00 0.00 H new ATOM 0 HG3 GLN A 18 6.490 -11.461 -17.750 1.00 0.00 H new ATOM 0 HE21 GLN A 18 5.697 -10.663 -20.028 1.00 0.00 H new ATOM 0 HE22 GLN A 18 6.859 -9.714 -20.962 1.00 0.00 H new ATOM 39 N ASP A 19 5.999 -7.925 -14.726 1.00 0.00 N ATOM 40 CA ASP A 19 6.929 -7.091 -13.954 1.00 0.00 C ATOM 41 C ASP A 19 6.210 -5.846 -13.480 1.00 0.00 C ATOM 42 O ASP A 19 6.666 -5.148 -12.595 1.00 0.00 O ATOM 43 CB ASP A 19 8.059 -6.677 -14.875 1.00 0.00 C ATOM 44 CG ASP A 19 9.398 -7.104 -14.267 1.00 0.00 C ATOM 45 OD1 ASP A 19 9.939 -6.298 -13.527 1.00 0.00 O ATOM 46 OD2 ASP A 19 9.803 -8.213 -14.575 1.00 0.00 O ATOM 0 H ASP A 19 5.184 -7.432 -15.091 1.00 0.00 H new ATOM 0 HA ASP A 19 7.309 -7.644 -13.095 1.00 0.00 H new ATOM 0 HB2 ASP A 19 7.930 -7.136 -15.855 1.00 0.00 H new ATOM 0 HB3 ASP A 19 8.043 -5.597 -15.024 1.00 0.00 H new ATOM 51 N ALA A 20 5.082 -5.601 -14.090 1.00 0.00 N ATOM 52 CA ALA A 20 4.273 -4.403 -13.719 1.00 0.00 C ATOM 53 C ALA A 20 5.116 -3.135 -13.828 1.00 0.00 C ATOM 54 O ALA A 20 6.328 -3.202 -13.900 1.00 0.00 O ATOM 55 CB ALA A 20 3.784 -4.552 -12.269 1.00 0.00 C ATOM 0 H ALA A 20 4.685 -6.179 -14.830 1.00 0.00 H new ATOM 0 HA ALA A 20 3.425 -4.328 -14.400 1.00 0.00 H new ATOM 0 HB1 ALA A 20 3.192 -3.679 -11.993 1.00 0.00 H new ATOM 0 HB2 ALA A 20 3.170 -5.449 -12.182 1.00 0.00 H new ATOM 0 HB3 ALA A 20 4.642 -4.634 -11.602 1.00 0.00 H new ATOM 61 N GLU A 21 4.456 -2.001 -13.838 1.00 0.00 N ATOM 62 CA GLU A 21 5.197 -0.715 -13.942 1.00 0.00 C ATOM 63 C GLU A 21 5.204 0.020 -12.606 1.00 0.00 C ATOM 64 O GLU A 21 6.245 0.242 -12.019 1.00 0.00 O ATOM 65 CB GLU A 21 4.481 0.164 -14.982 1.00 0.00 C ATOM 66 CG GLU A 21 4.302 -0.631 -16.280 1.00 0.00 C ATOM 67 CD GLU A 21 3.670 0.272 -17.346 1.00 0.00 C ATOM 68 OE1 GLU A 21 2.470 0.473 -17.244 1.00 0.00 O ATOM 69 OE2 GLU A 21 4.423 0.706 -18.202 1.00 0.00 O ATOM 0 H GLU A 21 3.441 -1.916 -13.779 1.00 0.00 H new ATOM 0 HA GLU A 21 6.228 -0.918 -14.232 1.00 0.00 H new ATOM 0 HB2 GLU A 21 3.511 0.482 -14.600 1.00 0.00 H new ATOM 0 HB3 GLU A 21 5.060 1.067 -15.172 1.00 0.00 H new ATOM 0 HG2 GLU A 21 5.266 -1.003 -16.628 1.00 0.00 H new ATOM 0 HG3 GLU A 21 3.670 -1.501 -16.103 1.00 0.00 H new ATOM 76 N TRP A 22 4.038 0.384 -12.151 1.00 0.00 N ATOM 77 CA TRP A 22 3.948 1.110 -10.852 1.00 0.00 C ATOM 78 C TRP A 22 4.822 0.446 -9.801 1.00 0.00 C ATOM 79 O TRP A 22 5.360 1.095 -8.926 1.00 0.00 O ATOM 80 CB TRP A 22 2.494 1.083 -10.384 1.00 0.00 C ATOM 81 CG TRP A 22 1.616 0.548 -11.526 1.00 0.00 C ATOM 82 CD1 TRP A 22 1.130 1.304 -12.487 1.00 0.00 C ATOM 83 CD2 TRP A 22 1.302 -0.718 -11.718 1.00 0.00 C ATOM 84 NE1 TRP A 22 0.497 0.441 -13.295 1.00 0.00 N ATOM 85 CE2 TRP A 22 0.558 -0.869 -12.877 1.00 0.00 C ATOM 86 CE3 TRP A 22 1.603 -1.833 -10.963 1.00 0.00 C ATOM 87 CZ2 TRP A 22 0.128 -2.112 -13.268 1.00 0.00 C ATOM 88 CZ3 TRP A 22 1.169 -3.076 -11.357 1.00 0.00 C ATOM 89 CH2 TRP A 22 0.433 -3.214 -12.508 1.00 0.00 C ATOM 0 H TRP A 22 3.148 0.212 -12.618 1.00 0.00 H new ATOM 0 HA TRP A 22 4.292 2.135 -10.990 1.00 0.00 H new ATOM 0 HB2 TRP A 22 2.393 0.450 -9.502 1.00 0.00 H new ATOM 0 HB3 TRP A 22 2.171 2.084 -10.097 1.00 0.00 H new ATOM 0 HD1 TRP A 22 1.220 2.374 -12.599 1.00 0.00 H new ATOM 0 HE1 TRP A 22 0.013 0.730 -14.145 1.00 0.00 H new ATOM 0 HE3 TRP A 22 2.183 -1.728 -10.058 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 -0.450 -2.223 -14.173 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 1.407 -3.945 -10.761 1.00 0.00 H new ATOM 0 HH2 TRP A 22 0.093 -4.192 -12.816 1.00 0.00 H new ATOM 100 N TYR A 23 4.936 -0.836 -9.910 1.00 0.00 N ATOM 101 CA TYR A 23 5.765 -1.596 -8.939 1.00 0.00 C ATOM 102 C TYR A 23 7.200 -1.676 -9.446 1.00 0.00 C ATOM 103 O TYR A 23 7.434 -1.993 -10.596 1.00 0.00 O ATOM 104 CB TYR A 23 5.175 -3.021 -8.832 1.00 0.00 C ATOM 105 CG TYR A 23 3.827 -3.025 -8.039 1.00 0.00 C ATOM 106 CD1 TYR A 23 3.139 -1.847 -7.709 1.00 0.00 C ATOM 107 CD2 TYR A 23 3.266 -4.231 -7.670 1.00 0.00 C ATOM 108 CE1 TYR A 23 1.940 -1.903 -7.042 1.00 0.00 C ATOM 109 CE2 TYR A 23 2.061 -4.274 -6.998 1.00 0.00 C ATOM 110 CZ TYR A 23 1.391 -3.113 -6.681 1.00 0.00 C ATOM 111 OH TYR A 23 0.185 -3.162 -6.016 1.00 0.00 O ATOM 0 H TYR A 23 4.490 -1.400 -10.633 1.00 0.00 H new ATOM 0 HA TYR A 23 5.763 -1.105 -7.966 1.00 0.00 H new ATOM 0 HB2 TYR A 23 5.012 -3.424 -9.831 1.00 0.00 H new ATOM 0 HB3 TYR A 23 5.892 -3.676 -8.337 1.00 0.00 H new ATOM 0 HD1 TYR A 23 3.556 -0.889 -7.982 1.00 0.00 H new ATOM 0 HD2 TYR A 23 3.776 -5.152 -7.910 1.00 0.00 H new ATOM 0 HE1 TYR A 23 1.422 -0.988 -6.798 1.00 0.00 H new ATOM 0 HE2 TYR A 23 1.639 -5.228 -6.718 1.00 0.00 H new ATOM 0 HH TYR A 23 -0.054 -4.096 -5.840 1.00 0.00 H new ATOM 121 N TRP A 24 8.138 -1.387 -8.584 1.00 0.00 N ATOM 122 CA TRP A 24 9.555 -1.444 -9.018 1.00 0.00 C ATOM 123 C TRP A 24 10.105 -2.841 -8.804 1.00 0.00 C ATOM 124 O TRP A 24 11.039 -3.257 -9.464 1.00 0.00 O ATOM 125 CB TRP A 24 10.400 -0.474 -8.154 1.00 0.00 C ATOM 126 CG TRP A 24 9.874 0.985 -8.209 1.00 0.00 C ATOM 127 CD1 TRP A 24 8.680 1.378 -8.669 1.00 0.00 C ATOM 128 CD2 TRP A 24 10.546 2.007 -7.741 1.00 0.00 C ATOM 129 NE1 TRP A 24 8.676 2.703 -8.435 1.00 0.00 N ATOM 130 CE2 TRP A 24 9.828 3.177 -7.851 1.00 0.00 C ATOM 131 CE3 TRP A 24 11.813 2.030 -7.187 1.00 0.00 C ATOM 132 CZ2 TRP A 24 10.365 4.361 -7.419 1.00 0.00 C ATOM 133 CZ3 TRP A 24 12.354 3.222 -6.751 1.00 0.00 C ATOM 134 CH2 TRP A 24 11.630 4.389 -6.867 1.00 0.00 C ATOM 0 H TRP A 24 7.984 -1.118 -7.612 1.00 0.00 H new ATOM 0 HA TRP A 24 9.606 -1.171 -10.072 1.00 0.00 H new ATOM 0 HB2 TRP A 24 10.398 -0.818 -7.120 1.00 0.00 H new ATOM 0 HB3 TRP A 24 11.435 -0.497 -8.495 1.00 0.00 H new ATOM 0 HD1 TRP A 24 7.905 0.776 -9.120 1.00 0.00 H new ATOM 0 HE1 TRP A 24 7.887 3.304 -8.670 1.00 0.00 H new ATOM 0 HE3 TRP A 24 12.379 1.115 -7.096 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 9.797 5.275 -7.511 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 13.344 3.241 -6.319 1.00 0.00 H new ATOM 0 HH2 TRP A 24 12.051 5.323 -6.527 1.00 0.00 H new ATOM 145 N GLY A 25 9.504 -3.536 -7.884 1.00 0.00 N ATOM 146 CA GLY A 25 9.954 -4.925 -7.578 1.00 0.00 C ATOM 147 C GLY A 25 10.195 -5.061 -6.080 1.00 0.00 C ATOM 148 O GLY A 25 11.068 -5.783 -5.647 1.00 0.00 O ATOM 0 H GLY A 25 8.717 -3.204 -7.327 1.00 0.00 H new ATOM 0 HA2 GLY A 25 9.201 -5.643 -7.903 1.00 0.00 H new ATOM 0 HA3 GLY A 25 10.868 -5.152 -8.127 1.00 0.00 H new ATOM 152 N ASP A 26 9.407 -4.353 -5.326 1.00 0.00 N ATOM 153 CA ASP A 26 9.546 -4.401 -3.847 1.00 0.00 C ATOM 154 C ASP A 26 10.830 -3.709 -3.411 1.00 0.00 C ATOM 155 O ASP A 26 11.905 -4.032 -3.879 1.00 0.00 O ATOM 156 CB ASP A 26 9.566 -5.883 -3.388 1.00 0.00 C ATOM 157 CG ASP A 26 11.000 -6.317 -3.031 1.00 0.00 C ATOM 158 OD1 ASP A 26 11.490 -5.813 -2.034 1.00 0.00 O ATOM 159 OD2 ASP A 26 11.517 -7.134 -3.774 1.00 0.00 O ATOM 0 H ASP A 26 8.669 -3.740 -5.672 1.00 0.00 H new ATOM 0 HA ASP A 26 8.703 -3.883 -3.390 1.00 0.00 H new ATOM 0 HB2 ASP A 26 8.915 -6.011 -2.523 1.00 0.00 H new ATOM 0 HB3 ASP A 26 9.173 -6.521 -4.180 1.00 0.00 H new ATOM 164 N ILE A 27 10.691 -2.749 -2.534 1.00 0.00 N ATOM 165 CA ILE A 27 11.893 -2.023 -2.053 1.00 0.00 C ATOM 166 C ILE A 27 11.768 -1.706 -0.557 1.00 0.00 C ATOM 167 O ILE A 27 11.642 -2.599 0.258 1.00 0.00 O ATOM 168 CB ILE A 27 12.045 -0.700 -2.840 1.00 0.00 C ATOM 169 CG1 ILE A 27 10.725 0.125 -2.807 1.00 0.00 C ATOM 170 CG2 ILE A 27 12.456 -1.024 -4.305 1.00 0.00 C ATOM 171 CD1 ILE A 27 9.797 -0.203 -3.995 1.00 0.00 C ATOM 0 H ILE A 27 9.804 -2.442 -2.136 1.00 0.00 H new ATOM 0 HA ILE A 27 12.767 -2.655 -2.210 1.00 0.00 H new ATOM 0 HB ILE A 27 12.820 -0.093 -2.372 1.00 0.00 H new ATOM 0 HG12 ILE A 27 10.199 -0.073 -1.873 1.00 0.00 H new ATOM 0 HG13 ILE A 27 10.964 1.188 -2.819 1.00 0.00 H new ATOM 0 HG21 ILE A 27 12.565 -0.096 -4.866 1.00 0.00 H new ATOM 0 HG22 ILE A 27 13.404 -1.562 -4.306 1.00 0.00 H new ATOM 0 HG23 ILE A 27 11.688 -1.641 -4.770 1.00 0.00 H new ATOM 0 HD11 ILE A 27 8.891 0.398 -3.926 1.00 0.00 H new ATOM 0 HD12 ILE A 27 10.310 0.021 -4.930 1.00 0.00 H new ATOM 0 HD13 ILE A 27 9.534 -1.260 -3.970 1.00 0.00 H new ATOM 183 N SER A 28 11.805 -0.443 -0.226 1.00 0.00 N ATOM 184 CA SER A 28 11.692 -0.050 1.195 1.00 0.00 C ATOM 185 C SER A 28 11.458 1.450 1.315 1.00 0.00 C ATOM 186 O SER A 28 11.693 2.189 0.379 1.00 0.00 O ATOM 187 CB SER A 28 13.007 -0.407 1.904 1.00 0.00 C ATOM 188 OG SER A 28 12.989 0.379 3.087 1.00 0.00 O ATOM 0 H SER A 28 11.909 0.329 -0.884 1.00 0.00 H new ATOM 0 HA SER A 28 10.852 -0.575 1.649 1.00 0.00 H new ATOM 0 HB2 SER A 28 13.060 -1.471 2.134 1.00 0.00 H new ATOM 0 HB3 SER A 28 13.871 -0.172 1.283 1.00 0.00 H new ATOM 0 HG SER A 28 13.803 0.208 3.606 1.00 0.00 H new ATOM 194 N ARG A 29 10.991 1.870 2.462 1.00 0.00 N ATOM 195 CA ARG A 29 10.733 3.316 2.668 1.00 0.00 C ATOM 196 C ARG A 29 11.839 4.150 2.074 1.00 0.00 C ATOM 197 O ARG A 29 11.609 5.181 1.491 1.00 0.00 O ATOM 198 CB ARG A 29 10.682 3.576 4.158 1.00 0.00 C ATOM 199 CG ARG A 29 9.546 2.765 4.754 1.00 0.00 C ATOM 200 CD ARG A 29 9.952 2.288 6.135 1.00 0.00 C ATOM 201 NE ARG A 29 10.432 3.452 6.934 1.00 0.00 N ATOM 202 CZ ARG A 29 10.933 3.249 8.121 1.00 0.00 C ATOM 203 NH1 ARG A 29 11.680 2.197 8.318 1.00 0.00 N ATOM 204 NH2 ARG A 29 10.672 4.104 9.070 1.00 0.00 N ATOM 0 H ARG A 29 10.779 1.271 3.260 1.00 0.00 H new ATOM 0 HA ARG A 29 9.794 3.584 2.183 1.00 0.00 H new ATOM 0 HB2 ARG A 29 11.628 3.299 4.623 1.00 0.00 H new ATOM 0 HB3 ARG A 29 10.530 4.638 4.351 1.00 0.00 H new ATOM 0 HG2 ARG A 29 8.642 3.371 4.816 1.00 0.00 H new ATOM 0 HG3 ARG A 29 9.315 1.913 4.114 1.00 0.00 H new ATOM 0 HD2 ARG A 29 9.106 1.814 6.633 1.00 0.00 H new ATOM 0 HD3 ARG A 29 10.738 1.536 6.057 1.00 0.00 H new ATOM 0 HE ARG A 29 10.369 4.397 6.556 1.00 0.00 H new ATOM 0 HH11 ARG A 29 11.863 1.551 7.551 1.00 0.00 H new ATOM 0 HH12 ARG A 29 12.081 2.021 9.239 1.00 0.00 H new ATOM 0 HH21 ARG A 29 10.085 4.915 8.878 1.00 0.00 H new ATOM 0 HH22 ARG A 29 11.055 3.961 10.004 1.00 0.00 H new ATOM 218 N GLU A 30 13.017 3.687 2.240 1.00 0.00 N ATOM 219 CA GLU A 30 14.170 4.430 1.694 1.00 0.00 C ATOM 220 C GLU A 30 13.916 4.863 0.255 1.00 0.00 C ATOM 221 O GLU A 30 13.833 6.039 -0.028 1.00 0.00 O ATOM 222 CB GLU A 30 15.394 3.509 1.724 1.00 0.00 C ATOM 223 CG GLU A 30 15.575 2.971 3.141 1.00 0.00 C ATOM 224 CD GLU A 30 16.896 2.205 3.221 1.00 0.00 C ATOM 225 OE1 GLU A 30 17.882 2.858 3.524 1.00 0.00 O ATOM 226 OE2 GLU A 30 16.846 1.013 2.975 1.00 0.00 O ATOM 0 H GLU A 30 13.244 2.822 2.731 1.00 0.00 H new ATOM 0 HA GLU A 30 14.332 5.323 2.298 1.00 0.00 H new ATOM 0 HB2 GLU A 30 15.263 2.685 1.022 1.00 0.00 H new ATOM 0 HB3 GLU A 30 16.284 4.055 1.412 1.00 0.00 H new ATOM 0 HG2 GLU A 30 15.573 3.792 3.858 1.00 0.00 H new ATOM 0 HG3 GLU A 30 14.744 2.316 3.403 1.00 0.00 H new ATOM 233 N GLU A 31 13.790 3.907 -0.633 1.00 0.00 N ATOM 234 CA GLU A 31 13.542 4.268 -2.051 1.00 0.00 C ATOM 235 C GLU A 31 12.143 4.828 -2.211 1.00 0.00 C ATOM 236 O GLU A 31 11.958 5.916 -2.723 1.00 0.00 O ATOM 237 CB GLU A 31 13.674 2.997 -2.899 1.00 0.00 C ATOM 238 CG GLU A 31 15.125 2.522 -2.854 1.00 0.00 C ATOM 239 CD GLU A 31 15.310 1.359 -3.831 1.00 0.00 C ATOM 240 OE1 GLU A 31 15.353 1.648 -5.015 1.00 0.00 O ATOM 241 OE2 GLU A 31 15.399 0.245 -3.337 1.00 0.00 O ATOM 0 H GLU A 31 13.848 2.908 -0.435 1.00 0.00 H new ATOM 0 HA GLU A 31 14.261 5.022 -2.370 1.00 0.00 H new ATOM 0 HB2 GLU A 31 13.011 2.220 -2.519 1.00 0.00 H new ATOM 0 HB3 GLU A 31 13.374 3.197 -3.928 1.00 0.00 H new ATOM 0 HG2 GLU A 31 15.795 3.341 -3.115 1.00 0.00 H new ATOM 0 HG3 GLU A 31 15.385 2.207 -1.843 1.00 0.00 H new ATOM 248 N VAL A 32 11.185 4.069 -1.775 1.00 0.00 N ATOM 249 CA VAL A 32 9.780 4.523 -1.881 1.00 0.00 C ATOM 250 C VAL A 32 9.675 5.993 -1.460 1.00 0.00 C ATOM 251 O VAL A 32 9.262 6.833 -2.228 1.00 0.00 O ATOM 252 CB VAL A 32 8.937 3.631 -0.923 1.00 0.00 C ATOM 253 CG1 VAL A 32 7.766 4.428 -0.349 1.00 0.00 C ATOM 254 CG2 VAL A 32 8.379 2.426 -1.693 1.00 0.00 C ATOM 0 H VAL A 32 11.315 3.152 -1.349 1.00 0.00 H new ATOM 0 HA VAL A 32 9.419 4.438 -2.906 1.00 0.00 H new ATOM 0 HB VAL A 32 9.581 3.292 -0.111 1.00 0.00 H new ATOM 0 HG11 VAL A 32 7.185 3.792 0.319 1.00 0.00 H new ATOM 0 HG12 VAL A 32 8.147 5.285 0.206 1.00 0.00 H new ATOM 0 HG13 VAL A 32 7.130 4.776 -1.162 1.00 0.00 H new ATOM 0 HG21 VAL A 32 7.790 1.805 -1.019 1.00 0.00 H new ATOM 0 HG22 VAL A 32 7.747 2.777 -2.509 1.00 0.00 H new ATOM 0 HG23 VAL A 32 9.204 1.840 -2.099 1.00 0.00 H new ATOM 264 N ASN A 33 10.062 6.265 -0.251 1.00 0.00 N ATOM 265 CA ASN A 33 10.001 7.666 0.256 1.00 0.00 C ATOM 266 C ASN A 33 10.864 8.613 -0.580 1.00 0.00 C ATOM 267 O ASN A 33 10.360 9.528 -1.205 1.00 0.00 O ATOM 268 CB ASN A 33 10.545 7.673 1.697 1.00 0.00 C ATOM 269 CG ASN A 33 10.131 8.975 2.390 1.00 0.00 C ATOM 270 OD1 ASN A 33 8.966 9.318 2.447 1.00 0.00 O ATOM 271 ND2 ASN A 33 11.052 9.726 2.932 1.00 0.00 N ATOM 0 H ASN A 33 10.420 5.579 0.413 1.00 0.00 H new ATOM 0 HA ASN A 33 8.967 8.007 0.203 1.00 0.00 H new ATOM 0 HB2 ASN A 33 10.158 6.816 2.248 1.00 0.00 H new ATOM 0 HB3 ASN A 33 11.631 7.582 1.688 1.00 0.00 H new ATOM 0 HD21 ASN A 33 10.792 10.594 3.400 1.00 0.00 H new ATOM 0 HD22 ASN A 33 12.031 9.444 2.888 1.00 0.00 H new ATOM 278 N GLU A 34 12.150 8.373 -0.565 1.00 0.00 N ATOM 279 CA GLU A 34 13.089 9.240 -1.345 1.00 0.00 C ATOM 280 C GLU A 34 12.507 9.692 -2.680 1.00 0.00 C ATOM 281 O GLU A 34 12.906 10.708 -3.211 1.00 0.00 O ATOM 282 CB GLU A 34 14.370 8.441 -1.628 1.00 0.00 C ATOM 283 CG GLU A 34 15.259 8.450 -0.382 1.00 0.00 C ATOM 284 CD GLU A 34 16.245 9.617 -0.476 1.00 0.00 C ATOM 285 OE1 GLU A 34 15.823 10.643 -0.982 1.00 0.00 O ATOM 286 OE2 GLU A 34 17.366 9.415 -0.037 1.00 0.00 O ATOM 0 H GLU A 34 12.592 7.614 -0.047 1.00 0.00 H new ATOM 0 HA GLU A 34 13.283 10.131 -0.747 1.00 0.00 H new ATOM 0 HB2 GLU A 34 14.120 7.416 -1.903 1.00 0.00 H new ATOM 0 HB3 GLU A 34 14.904 8.876 -2.473 1.00 0.00 H new ATOM 0 HG2 GLU A 34 14.647 8.546 0.515 1.00 0.00 H new ATOM 0 HG3 GLU A 34 15.800 7.507 -0.299 1.00 0.00 H new ATOM 293 N LYS A 35 11.583 8.942 -3.196 1.00 0.00 N ATOM 294 CA LYS A 35 10.981 9.333 -4.497 1.00 0.00 C ATOM 295 C LYS A 35 9.708 10.144 -4.316 1.00 0.00 C ATOM 296 O LYS A 35 9.463 11.090 -5.038 1.00 0.00 O ATOM 297 CB LYS A 35 10.655 8.066 -5.275 1.00 0.00 C ATOM 298 CG LYS A 35 9.964 8.427 -6.604 1.00 0.00 C ATOM 299 CD LYS A 35 10.788 9.467 -7.379 1.00 0.00 C ATOM 300 CE LYS A 35 10.412 9.397 -8.864 1.00 0.00 C ATOM 301 NZ LYS A 35 10.759 8.063 -9.433 1.00 0.00 N ATOM 0 H LYS A 35 11.220 8.084 -2.781 1.00 0.00 H new ATOM 0 HA LYS A 35 11.697 9.956 -5.033 1.00 0.00 H new ATOM 0 HB2 LYS A 35 11.569 7.505 -5.471 1.00 0.00 H new ATOM 0 HB3 LYS A 35 10.006 7.422 -4.682 1.00 0.00 H new ATOM 0 HG2 LYS A 35 9.839 7.530 -7.210 1.00 0.00 H new ATOM 0 HG3 LYS A 35 8.967 8.820 -6.406 1.00 0.00 H new ATOM 0 HD2 LYS A 35 10.596 10.466 -6.989 1.00 0.00 H new ATOM 0 HD3 LYS A 35 11.853 9.275 -7.251 1.00 0.00 H new ATOM 0 HE2 LYS A 35 9.344 9.582 -8.983 1.00 0.00 H new ATOM 0 HE3 LYS A 35 10.935 10.180 -9.414 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 11.004 8.167 -10.438 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 11.571 7.667 -8.918 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 9.944 7.423 -9.340 1.00 0.00 H new ATOM 315 N LEU A 36 8.923 9.773 -3.358 1.00 0.00 N ATOM 316 CA LEU A 36 7.661 10.524 -3.131 1.00 0.00 C ATOM 317 C LEU A 36 7.928 11.883 -2.500 1.00 0.00 C ATOM 318 O LEU A 36 7.021 12.674 -2.325 1.00 0.00 O ATOM 319 CB LEU A 36 6.761 9.725 -2.173 1.00 0.00 C ATOM 320 CG LEU A 36 6.515 8.314 -2.722 1.00 0.00 C ATOM 321 CD1 LEU A 36 6.069 7.419 -1.568 1.00 0.00 C ATOM 322 CD2 LEU A 36 5.408 8.336 -3.780 1.00 0.00 C ATOM 0 H LEU A 36 9.093 8.991 -2.725 1.00 0.00 H new ATOM 0 HA LEU A 36 7.180 10.668 -4.099 1.00 0.00 H new ATOM 0 HB2 LEU A 36 7.229 9.663 -1.191 1.00 0.00 H new ATOM 0 HB3 LEU A 36 5.810 10.242 -2.041 1.00 0.00 H new ATOM 0 HG LEU A 36 7.433 7.940 -3.176 1.00 0.00 H new ATOM 0 HD11 LEU A 36 5.889 6.410 -1.939 1.00 0.00 H new ATOM 0 HD12 LEU A 36 6.848 7.392 -0.806 1.00 0.00 H new ATOM 0 HD13 LEU A 36 5.151 7.815 -1.134 1.00 0.00 H new ATOM 0 HD21 LEU A 36 5.247 7.327 -4.159 1.00 0.00 H new ATOM 0 HD22 LEU A 36 4.486 8.708 -3.334 1.00 0.00 H new ATOM 0 HD23 LEU A 36 5.703 8.989 -4.601 1.00 0.00 H new ATOM 334 N ARG A 37 9.159 12.135 -2.172 1.00 0.00 N ATOM 335 CA ARG A 37 9.491 13.433 -1.554 1.00 0.00 C ATOM 336 C ARG A 37 8.993 14.590 -2.394 1.00 0.00 C ATOM 337 O ARG A 37 7.886 15.062 -2.223 1.00 0.00 O ATOM 338 CB ARG A 37 11.007 13.528 -1.444 1.00 0.00 C ATOM 339 CG ARG A 37 11.459 12.824 -0.169 1.00 0.00 C ATOM 340 CD ARG A 37 11.542 13.850 0.960 1.00 0.00 C ATOM 341 NE ARG A 37 11.699 13.132 2.258 1.00 0.00 N ATOM 342 CZ ARG A 37 11.210 13.660 3.348 1.00 0.00 C ATOM 343 NH1 ARG A 37 11.900 14.577 3.970 1.00 0.00 N ATOM 344 NH2 ARG A 37 10.046 13.253 3.780 1.00 0.00 N ATOM 0 H ARG A 37 9.945 11.498 -2.306 1.00 0.00 H new ATOM 0 HA ARG A 37 9.012 13.491 -0.576 1.00 0.00 H new ATOM 0 HB2 ARG A 37 11.477 13.069 -2.314 1.00 0.00 H new ATOM 0 HB3 ARG A 37 11.318 14.572 -1.428 1.00 0.00 H new ATOM 0 HG2 ARG A 37 10.758 12.031 0.093 1.00 0.00 H new ATOM 0 HG3 ARG A 37 12.430 12.353 -0.322 1.00 0.00 H new ATOM 0 HD2 ARG A 37 12.385 14.522 0.797 1.00 0.00 H new ATOM 0 HD3 ARG A 37 10.642 14.465 0.976 1.00 0.00 H new ATOM 0 HE ARG A 37 12.184 12.236 2.294 1.00 0.00 H new ATOM 0 HH11 ARG A 37 12.806 14.870 3.603 1.00 0.00 H new ATOM 0 HH12 ARG A 37 11.534 15.000 4.823 1.00 0.00 H new ATOM 0 HH21 ARG A 37 9.535 12.534 3.268 1.00 0.00 H new ATOM 0 HH22 ARG A 37 9.649 13.654 4.629 1.00 0.00 H new ATOM 358 N ASP A 38 9.821 15.019 -3.286 1.00 0.00 N ATOM 359 CA ASP A 38 9.438 16.150 -4.165 1.00 0.00 C ATOM 360 C ASP A 38 8.890 15.638 -5.485 1.00 0.00 C ATOM 361 O ASP A 38 9.418 15.940 -6.537 1.00 0.00 O ATOM 362 CB ASP A 38 10.695 16.994 -4.439 1.00 0.00 C ATOM 363 CG ASP A 38 10.346 18.125 -5.410 1.00 0.00 C ATOM 364 OD1 ASP A 38 9.323 18.745 -5.174 1.00 0.00 O ATOM 365 OD2 ASP A 38 11.125 18.305 -6.333 1.00 0.00 O ATOM 0 H ASP A 38 10.752 14.637 -3.449 1.00 0.00 H new ATOM 0 HA ASP A 38 8.668 16.745 -3.675 1.00 0.00 H new ATOM 0 HB2 ASP A 38 11.080 17.406 -3.506 1.00 0.00 H new ATOM 0 HB3 ASP A 38 11.482 16.368 -4.860 1.00 0.00 H new ATOM 370 N THR A 39 7.834 14.865 -5.399 1.00 0.00 N ATOM 371 CA THR A 39 7.217 14.309 -6.638 1.00 0.00 C ATOM 372 C THR A 39 5.705 14.560 -6.676 1.00 0.00 C ATOM 373 O THR A 39 4.938 13.849 -6.062 1.00 0.00 O ATOM 374 CB THR A 39 7.463 12.798 -6.649 1.00 0.00 C ATOM 375 OG1 THR A 39 8.753 12.633 -7.200 1.00 0.00 O ATOM 376 CG2 THR A 39 6.524 12.094 -7.638 1.00 0.00 C ATOM 0 H THR A 39 7.377 14.598 -4.527 1.00 0.00 H new ATOM 0 HA THR A 39 7.664 14.798 -7.504 1.00 0.00 H new ATOM 0 HB THR A 39 7.325 12.396 -5.645 1.00 0.00 H new ATOM 0 HG1 THR A 39 9.315 12.131 -6.573 1.00 0.00 H new ATOM 0 HG21 THR A 39 6.720 11.022 -7.626 1.00 0.00 H new ATOM 0 HG22 THR A 39 5.489 12.277 -7.350 1.00 0.00 H new ATOM 0 HG23 THR A 39 6.695 12.483 -8.642 1.00 0.00 H new ATOM 384 N ALA A 40 5.316 15.574 -7.404 1.00 0.00 N ATOM 385 CA ALA A 40 3.865 15.903 -7.510 1.00 0.00 C ATOM 386 C ALA A 40 3.146 15.790 -6.165 1.00 0.00 C ATOM 387 O ALA A 40 3.765 15.679 -5.125 1.00 0.00 O ATOM 388 CB ALA A 40 3.221 14.910 -8.492 1.00 0.00 C ATOM 0 H ALA A 40 5.940 16.187 -7.929 1.00 0.00 H new ATOM 0 HA ALA A 40 3.773 16.934 -7.852 1.00 0.00 H new ATOM 0 HB1 ALA A 40 2.158 15.130 -8.587 1.00 0.00 H new ATOM 0 HB2 ALA A 40 3.699 15.001 -9.467 1.00 0.00 H new ATOM 0 HB3 ALA A 40 3.349 13.894 -8.119 1.00 0.00 H new ATOM 394 N ASP A 41 1.833 15.826 -6.231 1.00 0.00 N ATOM 395 CA ASP A 41 1.008 15.726 -4.999 1.00 0.00 C ATOM 396 C ASP A 41 -0.014 14.607 -5.160 1.00 0.00 C ATOM 397 O ASP A 41 -1.197 14.848 -5.314 1.00 0.00 O ATOM 398 CB ASP A 41 0.269 17.062 -4.821 1.00 0.00 C ATOM 399 CG ASP A 41 -0.216 17.192 -3.376 1.00 0.00 C ATOM 400 OD1 ASP A 41 -1.190 16.525 -3.069 1.00 0.00 O ATOM 401 OD2 ASP A 41 0.415 17.952 -2.660 1.00 0.00 O ATOM 0 H ASP A 41 1.301 15.921 -7.096 1.00 0.00 H new ATOM 0 HA ASP A 41 1.637 15.513 -4.135 1.00 0.00 H new ATOM 0 HB2 ASP A 41 0.931 17.891 -5.069 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -0.578 17.115 -5.505 1.00 0.00 H new ATOM 406 N GLY A 42 0.466 13.403 -5.113 1.00 0.00 N ATOM 407 CA GLY A 42 -0.437 12.237 -5.263 1.00 0.00 C ATOM 408 C GLY A 42 0.287 11.180 -6.079 1.00 0.00 C ATOM 409 O GLY A 42 0.365 11.290 -7.278 1.00 0.00 O ATOM 0 H GLY A 42 1.451 13.174 -4.976 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -0.712 11.841 -4.286 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -1.362 12.533 -5.759 1.00 0.00 H new ATOM 413 N THR A 43 0.824 10.185 -5.414 1.00 0.00 N ATOM 414 CA THR A 43 1.552 9.121 -6.163 1.00 0.00 C ATOM 415 C THR A 43 1.270 7.726 -5.586 1.00 0.00 C ATOM 416 O THR A 43 0.667 7.606 -4.549 1.00 0.00 O ATOM 417 CB THR A 43 3.028 9.436 -6.011 1.00 0.00 C ATOM 418 OG1 THR A 43 3.221 10.654 -6.701 1.00 0.00 O ATOM 419 CG2 THR A 43 3.890 8.433 -6.758 1.00 0.00 C ATOM 0 H THR A 43 0.790 10.067 -4.401 1.00 0.00 H new ATOM 0 HA THR A 43 1.231 9.107 -7.205 1.00 0.00 H new ATOM 0 HB THR A 43 3.291 9.442 -4.953 1.00 0.00 H new ATOM 0 HG1 THR A 43 3.952 11.155 -6.282 1.00 0.00 H new ATOM 0 HG21 THR A 43 4.942 8.689 -6.628 1.00 0.00 H new ATOM 0 HG22 THR A 43 3.708 7.433 -6.365 1.00 0.00 H new ATOM 0 HG23 THR A 43 3.640 8.457 -7.819 1.00 0.00 H new ATOM 427 N PHE A 44 1.719 6.682 -6.275 1.00 0.00 N ATOM 428 CA PHE A 44 1.461 5.307 -5.741 1.00 0.00 C ATOM 429 C PHE A 44 2.437 4.251 -6.272 1.00 0.00 C ATOM 430 O PHE A 44 2.725 4.191 -7.452 1.00 0.00 O ATOM 431 CB PHE A 44 0.035 4.891 -6.133 1.00 0.00 C ATOM 432 CG PHE A 44 -0.068 4.682 -7.655 1.00 0.00 C ATOM 433 CD1 PHE A 44 -0.343 5.750 -8.494 1.00 0.00 C ATOM 434 CD2 PHE A 44 0.022 3.408 -8.202 1.00 0.00 C ATOM 435 CE1 PHE A 44 -0.533 5.541 -9.849 1.00 0.00 C ATOM 436 CE2 PHE A 44 -0.171 3.213 -9.551 1.00 0.00 C ATOM 437 CZ PHE A 44 -0.448 4.275 -10.369 1.00 0.00 C ATOM 0 H PHE A 44 2.235 6.729 -7.154 1.00 0.00 H new ATOM 0 HA PHE A 44 1.595 5.354 -4.660 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -0.237 3.972 -5.615 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -0.673 5.657 -5.817 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -0.409 6.749 -8.089 1.00 0.00 H new ATOM 0 HD2 PHE A 44 0.245 2.565 -7.565 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -0.749 6.377 -10.498 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -0.104 2.218 -9.966 1.00 0.00 H new ATOM 0 HZ PHE A 44 -0.600 4.115 -11.426 1.00 0.00 H new ATOM 447 N LEU A 45 2.934 3.439 -5.358 1.00 0.00 N ATOM 448 CA LEU A 45 3.889 2.365 -5.731 1.00 0.00 C ATOM 449 C LEU A 45 3.763 1.200 -4.726 1.00 0.00 C ATOM 450 O LEU A 45 2.762 1.101 -4.039 1.00 0.00 O ATOM 451 CB LEU A 45 5.333 2.929 -5.737 1.00 0.00 C ATOM 452 CG LEU A 45 5.468 4.079 -4.736 1.00 0.00 C ATOM 453 CD1 LEU A 45 5.169 3.573 -3.327 1.00 0.00 C ATOM 454 CD2 LEU A 45 6.900 4.594 -4.775 1.00 0.00 C ATOM 0 H LEU A 45 2.709 3.485 -4.364 1.00 0.00 H new ATOM 0 HA LEU A 45 3.659 1.995 -6.730 1.00 0.00 H new ATOM 0 HB2 LEU A 45 6.039 2.137 -5.487 1.00 0.00 H new ATOM 0 HB3 LEU A 45 5.588 3.279 -6.737 1.00 0.00 H new ATOM 0 HG LEU A 45 4.768 4.873 -4.995 1.00 0.00 H new ATOM 0 HD11 LEU A 45 5.266 4.394 -2.617 1.00 0.00 H new ATOM 0 HD12 LEU A 45 4.153 3.179 -3.290 1.00 0.00 H new ATOM 0 HD13 LEU A 45 5.874 2.783 -3.067 1.00 0.00 H new ATOM 0 HD21 LEU A 45 7.011 5.414 -4.066 1.00 0.00 H new ATOM 0 HD22 LEU A 45 7.584 3.788 -4.508 1.00 0.00 H new ATOM 0 HD23 LEU A 45 7.132 4.948 -5.779 1.00 0.00 H new ATOM 466 N VAL A 46 4.773 0.349 -4.650 1.00 0.00 N ATOM 467 CA VAL A 46 4.704 -0.805 -3.692 1.00 0.00 C ATOM 468 C VAL A 46 5.778 -0.710 -2.599 1.00 0.00 C ATOM 469 O VAL A 46 6.755 0.000 -2.735 1.00 0.00 O ATOM 470 CB VAL A 46 4.884 -2.116 -4.521 1.00 0.00 C ATOM 471 CG1 VAL A 46 6.101 -2.936 -4.042 1.00 0.00 C ATOM 472 CG2 VAL A 46 3.633 -2.970 -4.359 1.00 0.00 C ATOM 0 H VAL A 46 5.628 0.406 -5.203 1.00 0.00 H new ATOM 0 HA VAL A 46 3.741 -0.795 -3.181 1.00 0.00 H new ATOM 0 HB VAL A 46 5.047 -1.839 -5.562 1.00 0.00 H new ATOM 0 HG11 VAL A 46 6.191 -3.840 -4.645 1.00 0.00 H new ATOM 0 HG12 VAL A 46 7.007 -2.338 -4.147 1.00 0.00 H new ATOM 0 HG13 VAL A 46 5.966 -3.210 -2.996 1.00 0.00 H new ATOM 0 HG21 VAL A 46 3.744 -3.890 -4.933 1.00 0.00 H new ATOM 0 HG22 VAL A 46 3.493 -3.214 -3.306 1.00 0.00 H new ATOM 0 HG23 VAL A 46 2.766 -2.418 -4.722 1.00 0.00 H new ATOM 482 N ARG A 47 5.555 -1.443 -1.531 1.00 0.00 N ATOM 483 CA ARG A 47 6.517 -1.447 -0.395 1.00 0.00 C ATOM 484 C ARG A 47 6.667 -2.870 0.147 1.00 0.00 C ATOM 485 O ARG A 47 5.774 -3.391 0.784 1.00 0.00 O ATOM 486 CB ARG A 47 5.954 -0.545 0.718 1.00 0.00 C ATOM 487 CG ARG A 47 7.105 0.050 1.546 1.00 0.00 C ATOM 488 CD ARG A 47 7.853 -1.069 2.276 1.00 0.00 C ATOM 489 NE ARG A 47 8.406 -0.528 3.550 1.00 0.00 N ATOM 490 CZ ARG A 47 7.653 -0.506 4.621 1.00 0.00 C ATOM 491 NH1 ARG A 47 6.357 -0.456 4.483 1.00 0.00 N ATOM 492 NH2 ARG A 47 8.225 -0.533 5.793 1.00 0.00 N ATOM 0 H ARG A 47 4.739 -2.041 -1.403 1.00 0.00 H new ATOM 0 HA ARG A 47 7.489 -1.084 -0.729 1.00 0.00 H new ATOM 0 HB2 ARG A 47 5.357 0.256 0.281 1.00 0.00 H new ATOM 0 HB3 ARG A 47 5.291 -1.121 1.363 1.00 0.00 H new ATOM 0 HG2 ARG A 47 7.790 0.593 0.895 1.00 0.00 H new ATOM 0 HG3 ARG A 47 6.713 0.768 2.267 1.00 0.00 H new ATOM 0 HD2 ARG A 47 7.180 -1.901 2.481 1.00 0.00 H new ATOM 0 HD3 ARG A 47 8.657 -1.456 1.650 1.00 0.00 H new ATOM 0 HE ARG A 47 9.363 -0.178 3.587 1.00 0.00 H new ATOM 0 HH11 ARG A 47 5.944 -0.435 3.551 1.00 0.00 H new ATOM 0 HH12 ARG A 47 5.757 -0.438 5.307 1.00 0.00 H new ATOM 0 HH21 ARG A 47 9.242 -0.571 5.863 1.00 0.00 H new ATOM 0 HH22 ARG A 47 7.655 -0.517 6.639 1.00 0.00 H new ATOM 506 N ASP A 48 7.791 -3.470 -0.121 1.00 0.00 N ATOM 507 CA ASP A 48 8.024 -4.859 0.363 1.00 0.00 C ATOM 508 C ASP A 48 7.542 -5.052 1.794 1.00 0.00 C ATOM 509 O ASP A 48 7.657 -4.169 2.617 1.00 0.00 O ATOM 510 CB ASP A 48 9.528 -5.128 0.319 1.00 0.00 C ATOM 511 CG ASP A 48 9.780 -6.628 0.481 1.00 0.00 C ATOM 512 OD1 ASP A 48 9.292 -7.355 -0.369 1.00 0.00 O ATOM 513 OD2 ASP A 48 10.445 -6.965 1.447 1.00 0.00 O ATOM 0 H ASP A 48 8.558 -3.060 -0.654 1.00 0.00 H new ATOM 0 HA ASP A 48 7.468 -5.545 -0.276 1.00 0.00 H new ATOM 0 HB2 ASP A 48 9.944 -4.778 -0.626 1.00 0.00 H new ATOM 0 HB3 ASP A 48 10.031 -4.576 1.113 1.00 0.00 H new ATOM 518 N ALA A 49 7.013 -6.216 2.061 1.00 0.00 N ATOM 519 CA ALA A 49 6.517 -6.493 3.430 1.00 0.00 C ATOM 520 C ALA A 49 7.603 -7.103 4.317 1.00 0.00 C ATOM 521 O ALA A 49 8.490 -7.785 3.840 1.00 0.00 O ATOM 522 CB ALA A 49 5.372 -7.493 3.317 1.00 0.00 C ATOM 0 H ALA A 49 6.905 -6.979 1.392 1.00 0.00 H new ATOM 0 HA ALA A 49 6.199 -5.554 3.882 1.00 0.00 H new ATOM 0 HB1 ALA A 49 4.985 -7.717 4.311 1.00 0.00 H new ATOM 0 HB2 ALA A 49 4.576 -7.067 2.705 1.00 0.00 H new ATOM 0 HB3 ALA A 49 5.735 -8.410 2.853 1.00 0.00 H new ATOM 616 N ASP A 56 2.758 -10.622 -0.536 1.00 0.00 N ATOM 617 CA ASP A 56 1.981 -9.702 0.315 1.00 0.00 C ATOM 618 C ASP A 56 2.803 -8.501 0.694 1.00 0.00 C ATOM 619 O ASP A 56 3.336 -8.438 1.774 1.00 0.00 O ATOM 620 CB ASP A 56 1.586 -10.437 1.592 1.00 0.00 C ATOM 621 CG ASP A 56 0.910 -9.457 2.557 1.00 0.00 C ATOM 622 OD1 ASP A 56 -0.297 -9.331 2.440 1.00 0.00 O ATOM 623 OD2 ASP A 56 1.640 -8.893 3.357 1.00 0.00 O ATOM 0 HA ASP A 56 1.102 -9.371 -0.238 1.00 0.00 H new ATOM 0 HB2 ASP A 56 0.909 -11.258 1.357 1.00 0.00 H new ATOM 0 HB3 ASP A 56 2.468 -10.875 2.060 1.00 0.00 H new ATOM 628 N TYR A 57 2.895 -7.563 -0.198 1.00 0.00 N ATOM 629 CA TYR A 57 3.683 -6.364 0.111 1.00 0.00 C ATOM 630 C TYR A 57 2.820 -5.343 0.797 1.00 0.00 C ATOM 631 O TYR A 57 1.944 -5.684 1.568 1.00 0.00 O ATOM 632 CB TYR A 57 4.203 -5.767 -1.204 1.00 0.00 C ATOM 633 CG TYR A 57 4.812 -6.881 -2.056 1.00 0.00 C ATOM 634 CD1 TYR A 57 5.823 -7.676 -1.550 1.00 0.00 C ATOM 635 CD2 TYR A 57 4.354 -7.116 -3.335 1.00 0.00 C ATOM 636 CE1 TYR A 57 6.364 -8.687 -2.310 1.00 0.00 C ATOM 637 CE2 TYR A 57 4.895 -8.128 -4.097 1.00 0.00 C ATOM 638 CZ TYR A 57 5.905 -8.925 -3.591 1.00 0.00 C ATOM 639 OH TYR A 57 6.444 -9.942 -4.353 1.00 0.00 O ATOM 0 H TYR A 57 2.459 -7.580 -1.120 1.00 0.00 H new ATOM 0 HA TYR A 57 4.511 -6.634 0.766 1.00 0.00 H new ATOM 0 HB2 TYR A 57 3.389 -5.283 -1.744 1.00 0.00 H new ATOM 0 HB3 TYR A 57 4.950 -5.000 -0.999 1.00 0.00 H new ATOM 0 HD1 TYR A 57 6.191 -7.502 -0.550 1.00 0.00 H new ATOM 0 HD2 TYR A 57 3.565 -6.502 -3.743 1.00 0.00 H new ATOM 0 HE1 TYR A 57 7.154 -9.300 -1.902 1.00 0.00 H new ATOM 0 HE2 TYR A 57 4.527 -8.300 -5.098 1.00 0.00 H new ATOM 0 HH TYR A 57 6.001 -9.966 -5.227 1.00 0.00 H new ATOM 649 N THR A 58 3.078 -4.119 0.517 1.00 0.00 N ATOM 650 CA THR A 58 2.286 -3.058 1.142 1.00 0.00 C ATOM 651 C THR A 58 2.132 -1.876 0.204 1.00 0.00 C ATOM 652 O THR A 58 3.085 -1.183 -0.096 1.00 0.00 O ATOM 653 CB THR A 58 3.020 -2.619 2.394 1.00 0.00 C ATOM 654 OG1 THR A 58 2.460 -3.387 3.439 1.00 0.00 O ATOM 655 CG2 THR A 58 2.679 -1.171 2.757 1.00 0.00 C ATOM 0 H THR A 58 3.808 -3.804 -0.122 1.00 0.00 H new ATOM 0 HA THR A 58 1.289 -3.429 1.379 1.00 0.00 H new ATOM 0 HB THR A 58 4.094 -2.728 2.247 1.00 0.00 H new ATOM 0 HG1 THR A 58 2.179 -4.258 3.090 1.00 0.00 H new ATOM 0 HG21 THR A 58 3.220 -0.885 3.659 1.00 0.00 H new ATOM 0 HG22 THR A 58 2.967 -0.513 1.937 1.00 0.00 H new ATOM 0 HG23 THR A 58 1.607 -1.083 2.934 1.00 0.00 H new ATOM 663 N LEU A 59 0.934 -1.677 -0.260 1.00 0.00 N ATOM 664 CA LEU A 59 0.692 -0.548 -1.178 1.00 0.00 C ATOM 665 C LEU A 59 0.856 0.766 -0.422 1.00 0.00 C ATOM 666 O LEU A 59 0.385 0.902 0.688 1.00 0.00 O ATOM 667 CB LEU A 59 -0.749 -0.664 -1.714 1.00 0.00 C ATOM 668 CG LEU A 59 -0.788 -0.226 -3.178 1.00 0.00 C ATOM 669 CD1 LEU A 59 -0.388 -1.401 -4.068 1.00 0.00 C ATOM 670 CD2 LEU A 59 -2.214 0.206 -3.539 1.00 0.00 C ATOM 0 H LEU A 59 0.118 -2.248 -0.041 1.00 0.00 H new ATOM 0 HA LEU A 59 1.403 -0.571 -2.004 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -1.100 -1.692 -1.622 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -1.420 -0.043 -1.120 1.00 0.00 H new ATOM 0 HG LEU A 59 -0.098 0.605 -3.328 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -0.415 -1.092 -5.113 1.00 0.00 H new ATOM 0 HD12 LEU A 59 0.621 -1.725 -3.811 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -1.084 -2.226 -3.916 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -2.246 0.519 -4.583 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -2.896 -0.631 -3.390 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -2.515 1.037 -2.901 1.00 0.00 H new ATOM 682 N THR A 60 1.538 1.700 -1.028 1.00 0.00 N ATOM 683 CA THR A 60 1.743 3.014 -0.359 1.00 0.00 C ATOM 684 C THR A 60 1.586 4.153 -1.361 1.00 0.00 C ATOM 685 O THR A 60 1.887 3.998 -2.525 1.00 0.00 O ATOM 686 CB THR A 60 3.171 3.037 0.213 1.00 0.00 C ATOM 687 OG1 THR A 60 3.016 2.836 1.603 1.00 0.00 O ATOM 688 CG2 THR A 60 3.814 4.438 0.102 1.00 0.00 C ATOM 0 H THR A 60 1.960 1.610 -1.952 1.00 0.00 H new ATOM 0 HA THR A 60 1.003 3.144 0.431 1.00 0.00 H new ATOM 0 HB THR A 60 3.780 2.304 -0.316 1.00 0.00 H new ATOM 0 HG1 THR A 60 2.415 3.519 1.967 1.00 0.00 H new ATOM 0 HG21 THR A 60 4.821 4.410 0.517 1.00 0.00 H new ATOM 0 HG22 THR A 60 3.862 4.735 -0.946 1.00 0.00 H new ATOM 0 HG23 THR A 60 3.213 5.159 0.656 1.00 0.00 H new ATOM 696 N LEU A 61 1.111 5.278 -0.897 1.00 0.00 N ATOM 697 CA LEU A 61 0.935 6.427 -1.826 1.00 0.00 C ATOM 698 C LEU A 61 1.100 7.743 -1.120 1.00 0.00 C ATOM 699 O LEU A 61 0.835 7.861 0.051 1.00 0.00 O ATOM 700 CB LEU A 61 -0.476 6.405 -2.468 1.00 0.00 C ATOM 701 CG LEU A 61 -1.543 5.854 -1.501 1.00 0.00 C ATOM 702 CD1 LEU A 61 -2.578 6.949 -1.236 1.00 0.00 C ATOM 703 CD2 LEU A 61 -2.238 4.656 -2.153 1.00 0.00 C ATOM 0 H LEU A 61 0.841 5.448 0.072 1.00 0.00 H new ATOM 0 HA LEU A 61 1.704 6.326 -2.592 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -0.751 7.415 -2.774 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -0.454 5.794 -3.370 1.00 0.00 H new ATOM 0 HG LEU A 61 -1.077 5.545 -0.565 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -3.339 6.572 -0.553 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -2.087 7.814 -0.791 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -3.047 7.242 -2.176 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -2.994 4.261 -1.475 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -2.713 4.972 -3.082 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -1.502 3.881 -2.367 1.00 0.00 H new ATOM 715 N ARG A 62 1.524 8.723 -1.860 1.00 0.00 N ATOM 716 CA ARG A 62 1.716 10.046 -1.265 1.00 0.00 C ATOM 717 C ARG A 62 0.388 10.753 -1.207 1.00 0.00 C ATOM 718 O ARG A 62 -0.230 10.974 -2.232 1.00 0.00 O ATOM 719 CB ARG A 62 2.667 10.839 -2.168 1.00 0.00 C ATOM 720 CG ARG A 62 3.101 12.118 -1.455 1.00 0.00 C ATOM 721 CD ARG A 62 3.966 11.774 -0.229 1.00 0.00 C ATOM 722 NE ARG A 62 5.108 12.733 -0.152 1.00 0.00 N ATOM 723 CZ ARG A 62 5.868 12.746 0.915 1.00 0.00 C ATOM 724 NH1 ARG A 62 6.139 11.617 1.513 1.00 0.00 N ATOM 725 NH2 ARG A 62 6.329 13.888 1.349 1.00 0.00 N ATOM 0 H ARG A 62 1.744 8.654 -2.854 1.00 0.00 H new ATOM 0 HA ARG A 62 2.128 9.959 -0.260 1.00 0.00 H new ATOM 0 HB2 ARG A 62 3.539 10.234 -2.415 1.00 0.00 H new ATOM 0 HB3 ARG A 62 2.173 11.084 -3.108 1.00 0.00 H new ATOM 0 HG2 ARG A 62 3.664 12.752 -2.140 1.00 0.00 H new ATOM 0 HG3 ARG A 62 2.224 12.685 -1.143 1.00 0.00 H new ATOM 0 HD2 ARG A 62 3.368 11.828 0.680 1.00 0.00 H new ATOM 0 HD3 ARG A 62 4.338 10.752 -0.306 1.00 0.00 H new ATOM 0 HE ARG A 62 5.295 13.373 -0.924 1.00 0.00 H new ATOM 0 HH11 ARG A 62 5.761 10.743 1.148 1.00 0.00 H new ATOM 0 HH12 ARG A 62 6.729 11.609 2.345 1.00 0.00 H new ATOM 0 HH21 ARG A 62 6.096 14.752 0.859 1.00 0.00 H new ATOM 0 HH22 ARG A 62 6.922 13.917 2.178 1.00 0.00 H new ATOM 739 N LYS A 63 -0.044 11.088 -0.016 1.00 0.00 N ATOM 740 CA LYS A 63 -1.351 11.787 0.107 1.00 0.00 C ATOM 741 C LYS A 63 -1.197 13.294 -0.043 1.00 0.00 C ATOM 742 O LYS A 63 -2.037 14.061 0.386 1.00 0.00 O ATOM 743 CB LYS A 63 -1.962 11.461 1.472 1.00 0.00 C ATOM 744 CG LYS A 63 -0.840 11.185 2.442 1.00 0.00 C ATOM 745 CD LYS A 63 -1.392 11.125 3.873 1.00 0.00 C ATOM 746 CE LYS A 63 -1.418 12.536 4.484 1.00 0.00 C ATOM 747 NZ LYS A 63 -2.290 12.559 5.693 1.00 0.00 N ATOM 0 H LYS A 63 0.446 10.909 0.861 1.00 0.00 H new ATOM 0 HA LYS A 63 -2.005 11.441 -0.693 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -2.571 12.294 1.824 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -2.619 10.595 1.396 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -0.353 10.243 2.190 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -0.082 11.965 2.367 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -2.397 10.703 3.867 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -0.774 10.466 4.483 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -0.407 12.843 4.750 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -1.785 13.252 3.748 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -2.299 13.518 6.096 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -3.258 12.286 5.428 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -1.922 11.890 6.399 1.00 0.00 H new ATOM 761 N GLY A 64 -0.132 13.686 -0.660 1.00 0.00 N ATOM 762 CA GLY A 64 0.111 15.146 -0.860 1.00 0.00 C ATOM 763 C GLY A 64 0.993 15.737 0.240 1.00 0.00 C ATOM 764 O GLY A 64 0.960 16.926 0.488 1.00 0.00 O ATOM 0 H GLY A 64 0.586 13.068 -1.038 1.00 0.00 H new ATOM 0 HA2 GLY A 64 0.585 15.305 -1.829 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -0.843 15.673 -0.881 1.00 0.00 H new ATOM 768 N GLY A 65 1.758 14.911 0.874 1.00 0.00 N ATOM 769 CA GLY A 65 2.641 15.434 1.957 1.00 0.00 C ATOM 770 C GLY A 65 3.332 14.298 2.689 1.00 0.00 C ATOM 771 O GLY A 65 4.518 14.358 2.956 1.00 0.00 O ATOM 0 H GLY A 65 1.817 13.908 0.700 1.00 0.00 H new ATOM 0 HA2 GLY A 65 3.387 16.105 1.531 1.00 0.00 H new ATOM 0 HA3 GLY A 65 2.051 16.020 2.661 1.00 0.00 H new ATOM 775 N ASN A 66 2.574 13.291 2.994 1.00 0.00 N ATOM 776 CA ASN A 66 3.141 12.122 3.711 1.00 0.00 C ATOM 777 C ASN A 66 2.817 10.837 2.978 1.00 0.00 C ATOM 778 O ASN A 66 1.911 10.789 2.173 1.00 0.00 O ATOM 779 CB ASN A 66 2.504 12.062 5.100 1.00 0.00 C ATOM 780 CG ASN A 66 3.388 11.224 6.024 1.00 0.00 C ATOM 781 OD1 ASN A 66 3.311 9.924 5.961 1.00 0.00 O flip ATOM 782 ND2 ASN A 66 4.156 11.745 6.809 1.00 0.00 N flip ATOM 0 H ASN A 66 1.580 13.225 2.777 1.00 0.00 H new ATOM 0 HA ASN A 66 4.224 12.229 3.774 1.00 0.00 H new ATOM 0 HB2 ASN A 66 2.387 13.068 5.503 1.00 0.00 H new ATOM 0 HB3 ASN A 66 1.507 11.626 5.037 1.00 0.00 H new ATOM 0 HD21 ASN A 66 4.220 12.762 6.862 1.00 0.00 H new ATOM 0 HD22 ASN A 66 4.737 11.166 7.415 1.00 0.00 H new ATOM 789 N ASN A 67 3.562 9.819 3.264 1.00 0.00 N ATOM 790 CA ASN A 67 3.309 8.533 2.593 1.00 0.00 C ATOM 791 C ASN A 67 2.265 7.727 3.351 1.00 0.00 C ATOM 792 O ASN A 67 2.441 7.414 4.511 1.00 0.00 O ATOM 793 CB ASN A 67 4.624 7.740 2.563 1.00 0.00 C ATOM 794 CG ASN A 67 5.654 8.428 3.461 1.00 0.00 C ATOM 795 OD1 ASN A 67 6.419 9.359 2.955 1.00 0.00 O flip ATOM 796 ND2 ASN A 67 5.773 8.124 4.632 1.00 0.00 N flip ATOM 0 H ASN A 67 4.333 9.823 3.932 1.00 0.00 H new ATOM 0 HA ASN A 67 2.940 8.719 1.584 1.00 0.00 H new ATOM 0 HB2 ASN A 67 4.453 6.719 2.903 1.00 0.00 H new ATOM 0 HB3 ASN A 67 5.000 7.677 1.542 1.00 0.00 H new ATOM 0 HD21 ASN A 67 5.179 7.398 5.033 1.00 0.00 H new ATOM 0 HD22 ASN A 67 6.467 8.595 5.213 1.00 0.00 H new ATOM 803 N LYS A 68 1.197 7.403 2.680 1.00 0.00 N ATOM 804 CA LYS A 68 0.134 6.624 3.330 1.00 0.00 C ATOM 805 C LYS A 68 0.429 5.138 3.186 1.00 0.00 C ATOM 806 O LYS A 68 0.958 4.712 2.178 1.00 0.00 O ATOM 807 CB LYS A 68 -1.174 6.948 2.612 1.00 0.00 C ATOM 808 CG LYS A 68 -2.345 6.706 3.549 1.00 0.00 C ATOM 809 CD LYS A 68 -3.536 6.260 2.715 1.00 0.00 C ATOM 810 CE LYS A 68 -4.815 6.399 3.543 1.00 0.00 C ATOM 811 NZ LYS A 68 -4.753 5.535 4.755 1.00 0.00 N ATOM 0 H LYS A 68 1.023 7.650 1.706 1.00 0.00 H new ATOM 0 HA LYS A 68 0.070 6.870 4.390 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -1.170 7.986 2.279 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -1.274 6.328 1.721 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -2.091 5.945 4.286 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -2.586 7.615 4.100 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -3.607 6.864 1.810 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -3.405 5.225 2.398 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -4.952 7.439 3.838 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -5.678 6.123 2.937 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -5.682 5.524 5.222 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -4.493 4.567 4.478 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -4.040 5.910 5.413 1.00 0.00 H new ATOM 825 N LEU A 69 0.081 4.377 4.193 1.00 0.00 N ATOM 826 CA LEU A 69 0.338 2.911 4.131 1.00 0.00 C ATOM 827 C LEU A 69 -0.947 2.108 3.941 1.00 0.00 C ATOM 828 O LEU A 69 -1.944 2.352 4.592 1.00 0.00 O ATOM 829 CB LEU A 69 0.981 2.492 5.464 1.00 0.00 C ATOM 830 CG LEU A 69 1.855 1.253 5.240 1.00 0.00 C ATOM 831 CD1 LEU A 69 3.301 1.692 4.977 1.00 0.00 C ATOM 832 CD2 LEU A 69 1.815 0.380 6.496 1.00 0.00 C ATOM 0 H LEU A 69 -0.367 4.707 5.048 1.00 0.00 H new ATOM 0 HA LEU A 69 0.986 2.709 3.278 1.00 0.00 H new ATOM 0 HB2 LEU A 69 1.583 3.308 5.862 1.00 0.00 H new ATOM 0 HB3 LEU A 69 0.208 2.277 6.202 1.00 0.00 H new ATOM 0 HG LEU A 69 1.483 0.689 4.385 1.00 0.00 H new ATOM 0 HD11 LEU A 69 3.925 0.813 4.817 1.00 0.00 H new ATOM 0 HD12 LEU A 69 3.333 2.326 4.091 1.00 0.00 H new ATOM 0 HD13 LEU A 69 3.674 2.250 5.836 1.00 0.00 H new ATOM 0 HD21 LEU A 69 2.435 -0.504 6.345 1.00 0.00 H new ATOM 0 HD22 LEU A 69 2.194 0.948 7.346 1.00 0.00 H new ATOM 0 HD23 LEU A 69 0.788 0.074 6.694 1.00 0.00 H new ATOM 844 N ILE A 70 -0.883 1.159 3.045 1.00 0.00 N ATOM 845 CA ILE A 70 -2.068 0.305 2.769 1.00 0.00 C ATOM 846 C ILE A 70 -1.612 -1.142 2.617 1.00 0.00 C ATOM 847 O ILE A 70 -0.605 -1.406 1.994 1.00 0.00 O ATOM 848 CB ILE A 70 -2.710 0.777 1.473 1.00 0.00 C ATOM 849 CG1 ILE A 70 -3.598 1.969 1.752 1.00 0.00 C ATOM 850 CG2 ILE A 70 -3.572 -0.359 0.894 1.00 0.00 C ATOM 851 CD1 ILE A 70 -3.495 2.935 0.580 1.00 0.00 C ATOM 0 H ILE A 70 -0.055 0.940 2.491 1.00 0.00 H new ATOM 0 HA ILE A 70 -2.787 0.374 3.586 1.00 0.00 H new ATOM 0 HB ILE A 70 -1.931 1.057 0.764 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -4.631 1.648 1.888 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -3.293 2.461 2.676 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -4.035 -0.027 -0.035 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -2.944 -1.228 0.696 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -4.348 -0.628 1.610 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -4.130 3.801 0.766 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -2.461 3.261 0.467 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -3.820 2.436 -0.333 1.00 0.00 H new ATOM 863 N LYS A 71 -2.354 -2.057 3.177 1.00 0.00 N ATOM 864 CA LYS A 71 -1.945 -3.484 3.060 1.00 0.00 C ATOM 865 C LYS A 71 -2.553 -4.184 1.850 1.00 0.00 C ATOM 866 O LYS A 71 -3.623 -3.843 1.384 1.00 0.00 O ATOM 867 CB LYS A 71 -2.400 -4.228 4.327 1.00 0.00 C ATOM 868 CG LYS A 71 -1.719 -3.607 5.558 1.00 0.00 C ATOM 869 CD LYS A 71 -2.660 -2.592 6.212 1.00 0.00 C ATOM 870 CE LYS A 71 -3.571 -3.323 7.202 1.00 0.00 C ATOM 871 NZ LYS A 71 -4.653 -2.418 7.677 1.00 0.00 N ATOM 0 H LYS A 71 -3.211 -1.883 3.702 1.00 0.00 H new ATOM 0 HA LYS A 71 -0.862 -3.501 2.939 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -3.484 -4.167 4.428 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -2.146 -5.285 4.252 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -1.457 -4.387 6.273 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -0.790 -3.119 5.264 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -2.085 -1.823 6.727 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -3.257 -2.088 5.452 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -4.006 -4.201 6.725 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -2.986 -3.678 8.051 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -5.263 -2.928 8.348 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -4.233 -1.593 8.150 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -5.221 -2.100 6.866 1.00 0.00 H new ATOM 885 N ILE A 72 -1.828 -5.159 1.371 1.00 0.00 N ATOM 886 CA ILE A 72 -2.281 -5.944 0.197 1.00 0.00 C ATOM 887 C ILE A 72 -2.692 -7.331 0.691 1.00 0.00 C ATOM 888 O ILE A 72 -1.913 -7.992 1.350 1.00 0.00 O ATOM 889 CB ILE A 72 -1.077 -6.086 -0.752 1.00 0.00 C ATOM 890 CG1 ILE A 72 -0.909 -4.814 -1.608 1.00 0.00 C ATOM 891 CG2 ILE A 72 -1.284 -7.317 -1.668 1.00 0.00 C ATOM 892 CD1 ILE A 72 -1.887 -4.805 -2.801 1.00 0.00 C ATOM 0 H ILE A 72 -0.927 -5.446 1.753 1.00 0.00 H new ATOM 0 HA ILE A 72 -3.117 -5.464 -0.312 1.00 0.00 H new ATOM 0 HB ILE A 72 -0.173 -6.223 -0.158 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -1.079 -3.933 -0.990 1.00 0.00 H new ATOM 0 HG13 ILE A 72 0.116 -4.753 -1.975 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -0.432 -7.418 -2.340 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -1.372 -8.215 -1.056 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -2.194 -7.186 -2.253 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -1.742 -3.895 -3.383 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -1.699 -5.674 -3.432 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -2.912 -4.840 -2.432 1.00 0.00 H new ATOM 904 N PHE A 73 -3.890 -7.763 0.376 1.00 0.00 N ATOM 905 CA PHE A 73 -4.303 -9.109 0.855 1.00 0.00 C ATOM 906 C PHE A 73 -3.944 -10.180 -0.170 1.00 0.00 C ATOM 907 O PHE A 73 -4.649 -10.389 -1.131 1.00 0.00 O ATOM 908 CB PHE A 73 -5.829 -9.111 1.123 1.00 0.00 C ATOM 909 CG PHE A 73 -6.368 -7.664 1.145 1.00 0.00 C ATOM 910 CD1 PHE A 73 -5.704 -6.674 1.856 1.00 0.00 C ATOM 911 CD2 PHE A 73 -7.502 -7.321 0.425 1.00 0.00 C ATOM 912 CE1 PHE A 73 -6.159 -5.373 1.842 1.00 0.00 C ATOM 913 CE2 PHE A 73 -7.956 -6.013 0.414 1.00 0.00 C ATOM 914 CZ PHE A 73 -7.281 -5.041 1.122 1.00 0.00 C ATOM 0 H PHE A 73 -4.580 -7.254 -0.177 1.00 0.00 H new ATOM 0 HA PHE A 73 -3.772 -9.336 1.779 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -6.341 -9.686 0.351 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -6.038 -9.599 2.075 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -4.822 -6.926 2.426 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -8.035 -8.079 -0.131 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -5.632 -4.612 2.399 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -8.840 -5.754 -0.150 1.00 0.00 H new ATOM 0 HZ PHE A 73 -7.634 -4.020 1.111 1.00 0.00 H new ATOM 924 N HIS A 74 -2.827 -10.823 0.069 1.00 0.00 N ATOM 925 CA HIS A 74 -2.348 -11.899 -0.850 1.00 0.00 C ATOM 926 C HIS A 74 -2.450 -13.255 -0.153 1.00 0.00 C ATOM 927 O HIS A 74 -2.229 -13.346 1.040 1.00 0.00 O ATOM 928 CB HIS A 74 -0.860 -11.610 -1.146 1.00 0.00 C ATOM 929 CG HIS A 74 -0.458 -12.079 -2.549 1.00 0.00 C ATOM 930 ND1 HIS A 74 0.419 -11.529 -3.248 1.00 0.00 N ATOM 931 CD2 HIS A 74 -0.888 -13.161 -3.289 1.00 0.00 C ATOM 932 CE1 HIS A 74 0.597 -12.141 -4.342 1.00 0.00 C ATOM 933 NE2 HIS A 74 -0.197 -13.202 -4.463 1.00 0.00 N ATOM 0 H HIS A 74 -2.222 -10.645 0.870 1.00 0.00 H new ATOM 0 HA HIS A 74 -2.945 -11.920 -1.762 1.00 0.00 H new ATOM 0 HB2 HIS A 74 -0.672 -10.540 -1.052 1.00 0.00 H new ATOM 0 HB3 HIS A 74 -0.238 -12.110 -0.403 1.00 0.00 H new ATOM 0 HD1 HIS A 74 0.929 -10.690 -2.971 1.00 0.00 H new ATOM 0 HD2 HIS A 74 -1.650 -13.863 -2.986 1.00 0.00 H new ATOM 0 HE1 HIS A 74 1.312 -11.836 -5.092 1.00 0.00 H new ATOM 941 N ARG A 75 -2.782 -14.286 -0.905 1.00 0.00 N ATOM 942 CA ARG A 75 -2.901 -15.641 -0.285 1.00 0.00 C ATOM 943 C ARG A 75 -1.815 -16.588 -0.794 1.00 0.00 C ATOM 944 O ARG A 75 -1.195 -17.290 -0.019 1.00 0.00 O ATOM 945 CB ARG A 75 -4.278 -16.214 -0.655 1.00 0.00 C ATOM 946 CG ARG A 75 -4.546 -17.479 0.170 1.00 0.00 C ATOM 947 CD ARG A 75 -6.041 -17.801 0.120 1.00 0.00 C ATOM 948 NE ARG A 75 -6.315 -18.963 1.007 1.00 0.00 N ATOM 949 CZ ARG A 75 -7.529 -19.433 1.086 1.00 0.00 C ATOM 950 NH1 ARG A 75 -8.075 -19.951 0.020 1.00 0.00 N ATOM 951 NH2 ARG A 75 -8.158 -19.366 2.227 1.00 0.00 N ATOM 0 H ARG A 75 -2.972 -14.244 -1.906 1.00 0.00 H new ATOM 0 HA ARG A 75 -2.785 -15.547 0.795 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -5.055 -15.473 -0.466 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -4.312 -16.447 -1.719 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -3.968 -18.315 -0.224 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -4.228 -17.330 1.202 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -6.623 -16.937 0.440 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -6.343 -18.028 -0.902 1.00 0.00 H new ATOM 0 HE ARG A 75 -5.562 -19.388 1.548 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -7.553 -19.983 -0.856 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -9.024 -20.324 0.063 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -7.700 -18.951 3.038 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -9.108 -19.728 2.308 1.00 0.00 H new ATOM 965 N ASP A 76 -1.602 -16.598 -2.080 1.00 0.00 N ATOM 966 CA ASP A 76 -0.559 -17.499 -2.632 1.00 0.00 C ATOM 967 C ASP A 76 0.059 -16.914 -3.897 1.00 0.00 C ATOM 968 O ASP A 76 1.264 -16.889 -4.050 1.00 0.00 O ATOM 969 CB ASP A 76 -1.213 -18.839 -2.971 1.00 0.00 C ATOM 970 CG ASP A 76 -0.638 -19.368 -4.285 1.00 0.00 C ATOM 971 OD1 ASP A 76 0.438 -19.938 -4.212 1.00 0.00 O ATOM 972 OD2 ASP A 76 -1.307 -19.171 -5.286 1.00 0.00 O ATOM 0 H ASP A 76 -2.099 -16.028 -2.764 1.00 0.00 H new ATOM 0 HA ASP A 76 0.231 -17.624 -1.891 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -1.036 -19.556 -2.169 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -2.293 -18.718 -3.057 1.00 0.00 H new ATOM 977 N GLY A 77 -0.781 -16.455 -4.782 1.00 0.00 N ATOM 978 CA GLY A 77 -0.269 -15.861 -6.053 1.00 0.00 C ATOM 979 C GLY A 77 -1.337 -14.958 -6.664 1.00 0.00 C ATOM 980 O GLY A 77 -1.178 -14.446 -7.756 1.00 0.00 O ATOM 0 H GLY A 77 -1.796 -16.464 -4.683 1.00 0.00 H new ATOM 0 HA2 GLY A 77 0.638 -15.288 -5.859 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -0.003 -16.652 -6.754 1.00 0.00 H new ATOM 984 N LYS A 78 -2.404 -14.788 -5.934 1.00 0.00 N ATOM 985 CA LYS A 78 -3.508 -13.939 -6.411 1.00 0.00 C ATOM 986 C LYS A 78 -3.477 -12.609 -5.662 1.00 0.00 C ATOM 987 O LYS A 78 -2.469 -12.259 -5.102 1.00 0.00 O ATOM 988 CB LYS A 78 -4.824 -14.697 -6.111 1.00 0.00 C ATOM 989 CG LYS A 78 -4.567 -15.742 -5.011 1.00 0.00 C ATOM 990 CD LYS A 78 -5.896 -16.361 -4.578 1.00 0.00 C ATOM 991 CE LYS A 78 -5.789 -17.882 -4.694 1.00 0.00 C ATOM 992 NZ LYS A 78 -7.035 -18.536 -4.202 1.00 0.00 N ATOM 0 H LYS A 78 -2.551 -15.210 -5.017 1.00 0.00 H new ATOM 0 HA LYS A 78 -3.424 -13.732 -7.478 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -5.596 -13.997 -5.791 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -5.191 -15.185 -7.014 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -3.895 -16.517 -5.380 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -4.076 -15.275 -4.158 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -6.129 -16.076 -3.552 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -6.707 -15.990 -5.204 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -5.611 -18.161 -5.733 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -4.934 -18.237 -4.118 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -6.943 -19.568 -4.289 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -7.188 -18.285 -3.204 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -7.844 -18.212 -4.769 1.00 0.00 H new ATOM 1006 N TYR A 79 -4.555 -11.875 -5.676 1.00 0.00 N ATOM 1007 CA TYR A 79 -4.526 -10.582 -4.947 1.00 0.00 C ATOM 1008 C TYR A 79 -5.879 -10.195 -4.431 1.00 0.00 C ATOM 1009 O TYR A 79 -6.886 -10.457 -5.056 1.00 0.00 O ATOM 1010 CB TYR A 79 -4.041 -9.498 -5.894 1.00 0.00 C ATOM 1011 CG TYR A 79 -2.536 -9.585 -5.989 1.00 0.00 C ATOM 1012 CD1 TYR A 79 -1.957 -10.393 -6.934 1.00 0.00 C ATOM 1013 CD2 TYR A 79 -1.729 -8.861 -5.136 1.00 0.00 C ATOM 1014 CE1 TYR A 79 -0.597 -10.484 -7.037 1.00 0.00 C ATOM 1015 CE2 TYR A 79 -0.362 -8.949 -5.236 1.00 0.00 C ATOM 1016 CZ TYR A 79 0.220 -9.762 -6.190 1.00 0.00 C ATOM 1017 OH TYR A 79 1.592 -9.846 -6.298 1.00 0.00 O ATOM 0 H TYR A 79 -5.430 -12.107 -6.147 1.00 0.00 H new ATOM 0 HA TYR A 79 -3.858 -10.694 -4.093 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -4.491 -9.626 -6.879 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -4.342 -8.515 -5.531 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -2.583 -10.964 -7.604 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -2.174 -8.223 -4.387 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -0.158 -11.126 -7.787 1.00 0.00 H new ATOM 0 HE2 TYR A 79 0.263 -8.379 -4.564 1.00 0.00 H new ATOM 0 HH TYR A 79 2.009 -9.271 -5.623 1.00 0.00 H new ATOM 1027 N GLY A 80 -5.873 -9.570 -3.288 1.00 0.00 N ATOM 1028 CA GLY A 80 -7.141 -9.135 -2.674 1.00 0.00 C ATOM 1029 C GLY A 80 -7.128 -7.631 -2.531 1.00 0.00 C ATOM 1030 O GLY A 80 -6.286 -7.071 -1.848 1.00 0.00 O ATOM 0 H GLY A 80 -5.034 -9.344 -2.754 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -7.984 -9.447 -3.290 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -7.268 -9.605 -1.699 1.00 0.00 H new ATOM 1034 N PHE A 81 -8.050 -7.015 -3.182 1.00 0.00 N ATOM 1035 CA PHE A 81 -8.139 -5.559 -3.125 1.00 0.00 C ATOM 1036 C PHE A 81 -9.569 -5.145 -3.366 1.00 0.00 C ATOM 1037 O PHE A 81 -9.995 -4.068 -2.998 1.00 0.00 O ATOM 1038 CB PHE A 81 -7.252 -4.989 -4.224 1.00 0.00 C ATOM 1039 CG PHE A 81 -6.400 -3.891 -3.616 1.00 0.00 C ATOM 1040 CD1 PHE A 81 -5.361 -4.202 -2.757 1.00 0.00 C ATOM 1041 CD2 PHE A 81 -6.716 -2.571 -3.835 1.00 0.00 C ATOM 1042 CE1 PHE A 81 -4.664 -3.204 -2.123 1.00 0.00 C ATOM 1043 CE2 PHE A 81 -6.018 -1.572 -3.202 1.00 0.00 C ATOM 1044 CZ PHE A 81 -4.993 -1.889 -2.343 1.00 0.00 C ATOM 0 H PHE A 81 -8.756 -7.470 -3.760 1.00 0.00 H new ATOM 0 HA PHE A 81 -7.817 -5.190 -2.151 1.00 0.00 H new ATOM 0 HB2 PHE A 81 -6.621 -5.770 -4.648 1.00 0.00 H new ATOM 0 HB3 PHE A 81 -7.860 -4.593 -5.038 1.00 0.00 H new ATOM 0 HD1 PHE A 81 -5.097 -5.235 -2.585 1.00 0.00 H new ATOM 0 HD2 PHE A 81 -7.520 -2.318 -4.510 1.00 0.00 H new ATOM 0 HE1 PHE A 81 -3.856 -3.453 -1.451 1.00 0.00 H new ATOM 0 HE2 PHE A 81 -6.274 -0.538 -3.379 1.00 0.00 H new ATOM 0 HZ PHE A 81 -4.446 -1.104 -1.841 1.00 0.00 H new ATOM 1054 N SER A 82 -10.277 -6.031 -3.987 1.00 0.00 N ATOM 1055 CA SER A 82 -11.700 -5.779 -4.298 1.00 0.00 C ATOM 1056 C SER A 82 -12.518 -6.987 -3.902 1.00 0.00 C ATOM 1057 O SER A 82 -13.103 -7.032 -2.840 1.00 0.00 O ATOM 1058 CB SER A 82 -11.833 -5.566 -5.807 1.00 0.00 C ATOM 1059 OG SER A 82 -11.793 -4.155 -5.963 1.00 0.00 O ATOM 0 H SER A 82 -9.924 -6.936 -4.298 1.00 0.00 H new ATOM 0 HA SER A 82 -12.053 -4.902 -3.755 1.00 0.00 H new ATOM 0 HB2 SER A 82 -11.022 -6.050 -6.351 1.00 0.00 H new ATOM 0 HB3 SER A 82 -12.765 -5.983 -6.188 1.00 0.00 H new ATOM 0 HG SER A 82 -11.871 -3.929 -6.913 1.00 0.00 H new ATOM 1065 N ASP A 83 -12.534 -7.942 -4.770 1.00 0.00 N ATOM 1066 CA ASP A 83 -13.288 -9.172 -4.503 1.00 0.00 C ATOM 1067 C ASP A 83 -12.422 -10.104 -3.642 1.00 0.00 C ATOM 1068 O ASP A 83 -11.220 -9.975 -3.649 1.00 0.00 O ATOM 1069 CB ASP A 83 -13.542 -9.829 -5.868 1.00 0.00 C ATOM 1070 CG ASP A 83 -14.680 -9.092 -6.580 1.00 0.00 C ATOM 1071 OD1 ASP A 83 -15.795 -9.223 -6.102 1.00 0.00 O ATOM 1072 OD2 ASP A 83 -14.369 -8.434 -7.561 1.00 0.00 O ATOM 0 H ASP A 83 -12.048 -7.919 -5.666 1.00 0.00 H new ATOM 0 HA ASP A 83 -14.223 -8.971 -3.980 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -12.637 -9.796 -6.474 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -13.800 -10.880 -5.736 1.00 0.00 H new ATOM 1077 N PRO A 84 -13.038 -11.023 -2.892 1.00 0.00 N ATOM 1078 CA PRO A 84 -12.262 -11.938 -2.053 1.00 0.00 C ATOM 1079 C PRO A 84 -11.269 -12.749 -2.903 1.00 0.00 C ATOM 1080 O PRO A 84 -11.485 -13.909 -3.195 1.00 0.00 O ATOM 1081 CB PRO A 84 -13.321 -12.865 -1.392 1.00 0.00 C ATOM 1082 CG PRO A 84 -14.712 -12.458 -1.964 1.00 0.00 C ATOM 1083 CD PRO A 84 -14.502 -11.198 -2.824 1.00 0.00 C ATOM 0 HA PRO A 84 -11.663 -11.410 -1.311 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -13.106 -13.911 -1.611 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -13.304 -12.756 -0.308 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -15.133 -13.266 -2.562 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -15.416 -12.259 -1.156 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -14.931 -11.322 -3.818 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -14.983 -10.329 -2.375 1.00 0.00 H new ATOM 1091 N LEU A 85 -10.193 -12.103 -3.283 1.00 0.00 N ATOM 1092 CA LEU A 85 -9.169 -12.785 -4.107 1.00 0.00 C ATOM 1093 C LEU A 85 -9.821 -13.661 -5.170 1.00 0.00 C ATOM 1094 O LEU A 85 -9.847 -14.871 -5.055 1.00 0.00 O ATOM 1095 CB LEU A 85 -8.295 -13.645 -3.172 1.00 0.00 C ATOM 1096 CG LEU A 85 -7.357 -12.716 -2.375 1.00 0.00 C ATOM 1097 CD1 LEU A 85 -7.485 -12.994 -0.881 1.00 0.00 C ATOM 1098 CD2 LEU A 85 -5.918 -12.963 -2.804 1.00 0.00 C ATOM 0 H LEU A 85 -9.987 -11.131 -3.053 1.00 0.00 H new ATOM 0 HA LEU A 85 -8.559 -12.043 -4.621 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -8.923 -14.221 -2.492 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -7.713 -14.361 -3.752 1.00 0.00 H new ATOM 0 HG LEU A 85 -7.634 -11.681 -2.573 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -6.818 -12.332 -0.329 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -8.513 -12.818 -0.565 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -7.215 -14.031 -0.679 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -5.253 -12.307 -2.242 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -5.653 -14.002 -2.609 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -5.815 -12.757 -3.869 1.00 0.00 H new ATOM 1110 N THR A 86 -10.342 -13.010 -6.192 1.00 0.00 N ATOM 1111 CA THR A 86 -11.009 -13.757 -7.294 1.00 0.00 C ATOM 1112 C THR A 86 -10.417 -13.375 -8.652 1.00 0.00 C ATOM 1113 O THR A 86 -10.351 -14.194 -9.548 1.00 0.00 O ATOM 1114 CB THR A 86 -12.499 -13.396 -7.291 1.00 0.00 C ATOM 1115 OG1 THR A 86 -12.882 -13.386 -5.932 1.00 0.00 O ATOM 1116 CG2 THR A 86 -13.336 -14.523 -7.918 1.00 0.00 C ATOM 0 H THR A 86 -10.330 -11.996 -6.302 1.00 0.00 H new ATOM 0 HA THR A 86 -10.861 -14.825 -7.136 1.00 0.00 H new ATOM 0 HB THR A 86 -12.651 -12.460 -7.829 1.00 0.00 H new ATOM 0 HG1 THR A 86 -13.833 -13.158 -5.862 1.00 0.00 H new ATOM 0 HG21 THR A 86 -14.390 -14.244 -7.905 1.00 0.00 H new ATOM 0 HG22 THR A 86 -13.016 -14.684 -8.947 1.00 0.00 H new ATOM 0 HG23 THR A 86 -13.196 -15.441 -7.347 1.00 0.00 H new ATOM 1124 N PHE A 87 -9.994 -12.138 -8.789 1.00 0.00 N ATOM 1125 CA PHE A 87 -9.411 -11.721 -10.095 1.00 0.00 C ATOM 1126 C PHE A 87 -8.036 -12.334 -10.252 1.00 0.00 C ATOM 1127 O PHE A 87 -7.607 -12.652 -11.341 1.00 0.00 O ATOM 1128 CB PHE A 87 -9.299 -10.181 -10.149 1.00 0.00 C ATOM 1129 CG PHE A 87 -8.998 -9.623 -8.759 1.00 0.00 C ATOM 1130 CD1 PHE A 87 -10.006 -9.478 -7.832 1.00 0.00 C ATOM 1131 CD2 PHE A 87 -7.717 -9.239 -8.420 1.00 0.00 C ATOM 1132 CE1 PHE A 87 -9.735 -8.955 -6.584 1.00 0.00 C ATOM 1133 CE2 PHE A 87 -7.449 -8.719 -7.178 1.00 0.00 C ATOM 1134 CZ PHE A 87 -8.455 -8.578 -6.261 1.00 0.00 C ATOM 0 H PHE A 87 -10.028 -11.418 -8.068 1.00 0.00 H new ATOM 0 HA PHE A 87 -10.057 -12.063 -10.904 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -8.511 -9.891 -10.843 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -10.229 -9.755 -10.526 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -11.014 -9.775 -8.083 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -6.918 -9.348 -9.138 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -10.530 -8.842 -5.861 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -6.443 -8.421 -6.924 1.00 0.00 H new ATOM 0 HZ PHE A 87 -8.242 -8.170 -5.284 1.00 0.00 H new ATOM 1144 N ASN A 88 -7.377 -12.480 -9.149 1.00 0.00 N ATOM 1145 CA ASN A 88 -6.009 -13.077 -9.155 1.00 0.00 C ATOM 1146 C ASN A 88 -4.946 -12.194 -9.832 1.00 0.00 C ATOM 1147 O ASN A 88 -3.842 -12.648 -10.058 1.00 0.00 O ATOM 1148 CB ASN A 88 -6.077 -14.424 -9.900 1.00 0.00 C ATOM 1149 CG ASN A 88 -7.431 -15.091 -9.631 1.00 0.00 C ATOM 1150 OD1 ASN A 88 -8.262 -15.267 -10.625 1.00 0.00 O flip ATOM 1151 ND2 ASN A 88 -7.744 -15.459 -8.516 1.00 0.00 N flip ATOM 0 H ASN A 88 -7.724 -12.211 -8.229 1.00 0.00 H new ATOM 0 HA ASN A 88 -5.704 -13.190 -8.115 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -5.944 -14.267 -10.970 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -5.267 -15.075 -9.570 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -7.101 -15.325 -7.736 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -8.650 -15.902 -8.361 1.00 0.00 H new ATOM 1158 N SER A 89 -5.275 -10.968 -10.152 1.00 0.00 N ATOM 1159 CA SER A 89 -4.241 -10.104 -10.808 1.00 0.00 C ATOM 1160 C SER A 89 -4.410 -8.632 -10.468 1.00 0.00 C ATOM 1161 O SER A 89 -5.504 -8.085 -10.492 1.00 0.00 O ATOM 1162 CB SER A 89 -4.335 -10.266 -12.319 1.00 0.00 C ATOM 1163 OG SER A 89 -5.407 -11.176 -12.512 1.00 0.00 O ATOM 0 H SER A 89 -6.185 -10.536 -9.995 1.00 0.00 H new ATOM 0 HA SER A 89 -3.269 -10.426 -10.435 1.00 0.00 H new ATOM 0 HB2 SER A 89 -4.531 -9.312 -12.809 1.00 0.00 H new ATOM 0 HB3 SER A 89 -3.405 -10.654 -12.735 1.00 0.00 H new ATOM 0 HG SER A 89 -5.534 -11.333 -13.471 1.00 0.00 H new ATOM 1169 N VAL A 90 -3.302 -8.008 -10.201 1.00 0.00 N ATOM 1170 CA VAL A 90 -3.327 -6.574 -9.855 1.00 0.00 C ATOM 1171 C VAL A 90 -3.433 -5.739 -11.099 1.00 0.00 C ATOM 1172 O VAL A 90 -4.229 -4.827 -11.176 1.00 0.00 O ATOM 1173 CB VAL A 90 -2.011 -6.220 -9.141 1.00 0.00 C ATOM 1174 CG1 VAL A 90 -2.024 -4.738 -8.758 1.00 0.00 C ATOM 1175 CG2 VAL A 90 -1.879 -7.064 -7.879 1.00 0.00 C ATOM 0 H VAL A 90 -2.376 -8.436 -10.209 1.00 0.00 H new ATOM 0 HA VAL A 90 -4.186 -6.375 -9.214 1.00 0.00 H new ATOM 0 HB VAL A 90 -1.170 -6.419 -9.805 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -1.092 -4.485 -8.252 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -2.125 -4.131 -9.657 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -2.864 -4.542 -8.092 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -0.947 -6.815 -7.371 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -2.720 -6.861 -7.216 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -1.876 -8.121 -8.147 1.00 0.00 H new ATOM 1185 N VAL A 91 -2.638 -6.075 -12.060 1.00 0.00 N ATOM 1186 CA VAL A 91 -2.667 -5.321 -13.311 1.00 0.00 C ATOM 1187 C VAL A 91 -4.089 -5.150 -13.760 1.00 0.00 C ATOM 1188 O VAL A 91 -4.496 -4.082 -14.132 1.00 0.00 O ATOM 1189 CB VAL A 91 -1.893 -6.116 -14.371 1.00 0.00 C ATOM 1190 CG1 VAL A 91 -1.177 -5.162 -15.330 1.00 0.00 C ATOM 1191 CG2 VAL A 91 -0.853 -6.974 -13.688 1.00 0.00 C ATOM 0 H VAL A 91 -1.969 -6.844 -12.026 1.00 0.00 H new ATOM 0 HA VAL A 91 -2.216 -4.339 -13.168 1.00 0.00 H new ATOM 0 HB VAL A 91 -2.596 -6.735 -14.928 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -0.632 -5.739 -16.077 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -1.911 -4.527 -15.826 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -0.478 -4.540 -14.770 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -0.300 -7.541 -14.437 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -0.164 -6.338 -13.133 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -1.344 -7.663 -13.001 1.00 0.00 H new ATOM 1201 N GLU A 92 -4.823 -6.215 -13.701 1.00 0.00 N ATOM 1202 CA GLU A 92 -6.239 -6.150 -14.120 1.00 0.00 C ATOM 1203 C GLU A 92 -6.992 -5.173 -13.230 1.00 0.00 C ATOM 1204 O GLU A 92 -7.716 -4.316 -13.706 1.00 0.00 O ATOM 1205 CB GLU A 92 -6.851 -7.551 -13.960 1.00 0.00 C ATOM 1206 CG GLU A 92 -8.306 -7.525 -14.423 1.00 0.00 C ATOM 1207 CD GLU A 92 -8.498 -8.540 -15.552 1.00 0.00 C ATOM 1208 OE1 GLU A 92 -8.198 -9.695 -15.300 1.00 0.00 O ATOM 1209 OE2 GLU A 92 -8.934 -8.101 -16.604 1.00 0.00 O ATOM 0 H GLU A 92 -4.503 -7.129 -13.380 1.00 0.00 H new ATOM 0 HA GLU A 92 -6.308 -5.817 -15.156 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -6.285 -8.276 -14.545 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -6.795 -7.868 -12.919 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -8.968 -7.761 -13.590 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -8.572 -6.526 -14.768 1.00 0.00 H new ATOM 1216 N LEU A 93 -6.807 -5.322 -11.947 1.00 0.00 N ATOM 1217 CA LEU A 93 -7.497 -4.415 -10.998 1.00 0.00 C ATOM 1218 C LEU A 93 -6.916 -3.011 -11.099 1.00 0.00 C ATOM 1219 O LEU A 93 -7.567 -2.098 -11.572 1.00 0.00 O ATOM 1220 CB LEU A 93 -7.265 -4.975 -9.570 1.00 0.00 C ATOM 1221 CG LEU A 93 -7.812 -4.003 -8.507 1.00 0.00 C ATOM 1222 CD1 LEU A 93 -8.773 -4.756 -7.595 1.00 0.00 C ATOM 1223 CD2 LEU A 93 -6.651 -3.470 -7.657 1.00 0.00 C ATOM 0 H LEU A 93 -6.210 -6.030 -11.520 1.00 0.00 H new ATOM 0 HA LEU A 93 -8.561 -4.361 -11.227 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -7.755 -5.944 -9.470 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -6.200 -5.138 -9.407 1.00 0.00 H new ATOM 0 HG LEU A 93 -8.324 -3.176 -8.999 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -9.165 -4.076 -6.839 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -9.597 -5.156 -8.186 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -8.245 -5.575 -7.107 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -7.037 -2.782 -6.905 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -6.149 -4.302 -7.164 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -5.942 -2.946 -8.298 1.00 0.00 H new ATOM 1235 N ILE A 94 -5.710 -2.867 -10.641 1.00 0.00 N ATOM 1236 CA ILE A 94 -5.056 -1.542 -10.693 1.00 0.00 C ATOM 1237 C ILE A 94 -5.338 -0.851 -12.033 1.00 0.00 C ATOM 1238 O ILE A 94 -5.496 0.353 -12.087 1.00 0.00 O ATOM 1239 CB ILE A 94 -3.529 -1.769 -10.494 1.00 0.00 C ATOM 1240 CG1 ILE A 94 -3.024 -1.038 -9.240 1.00 0.00 C ATOM 1241 CG2 ILE A 94 -2.719 -1.284 -11.733 1.00 0.00 C ATOM 1242 CD1 ILE A 94 -3.352 0.468 -9.290 1.00 0.00 C ATOM 0 H ILE A 94 -5.149 -3.614 -10.232 1.00 0.00 H new ATOM 0 HA ILE A 94 -5.447 -0.891 -9.911 1.00 0.00 H new ATOM 0 HB ILE A 94 -3.377 -2.841 -10.371 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -3.477 -1.480 -8.353 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -1.946 -1.173 -9.148 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -1.656 -1.456 -11.563 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -3.039 -1.837 -12.616 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -2.894 -0.219 -11.888 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -2.980 0.952 -8.387 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -2.877 0.915 -10.163 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -4.432 0.603 -9.355 1.00 0.00 H new ATOM 1254 N ASN A 95 -5.401 -1.622 -13.088 1.00 0.00 N ATOM 1255 CA ASN A 95 -5.675 -1.010 -14.414 1.00 0.00 C ATOM 1256 C ASN A 95 -7.021 -0.307 -14.399 1.00 0.00 C ATOM 1257 O ASN A 95 -7.128 0.872 -14.724 1.00 0.00 O ATOM 1258 CB ASN A 95 -5.727 -2.122 -15.473 1.00 0.00 C ATOM 1259 CG ASN A 95 -6.446 -1.605 -16.717 1.00 0.00 C ATOM 1260 OD1 ASN A 95 -6.449 -0.425 -17.004 1.00 0.00 O ATOM 1261 ND2 ASN A 95 -7.071 -2.459 -17.483 1.00 0.00 N ATOM 0 H ASN A 95 -5.276 -2.634 -13.086 1.00 0.00 H new ATOM 0 HA ASN A 95 -4.888 -0.291 -14.642 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -4.717 -2.442 -15.730 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -6.246 -2.994 -15.075 1.00 0.00 H new ATOM 0 HD21 ASN A 95 -7.559 -2.134 -18.318 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -7.071 -3.451 -17.246 1.00 0.00 H new ATOM 1268 N HIS A 96 -8.032 -1.037 -14.001 1.00 0.00 N ATOM 1269 CA HIS A 96 -9.379 -0.437 -13.955 1.00 0.00 C ATOM 1270 C HIS A 96 -9.385 0.815 -13.092 1.00 0.00 C ATOM 1271 O HIS A 96 -10.230 1.673 -13.254 1.00 0.00 O ATOM 1272 CB HIS A 96 -10.347 -1.467 -13.357 1.00 0.00 C ATOM 1273 CG HIS A 96 -10.700 -2.503 -14.429 1.00 0.00 C ATOM 1274 ND1 HIS A 96 -10.580 -3.739 -14.297 1.00 0.00 N ATOM 1275 CD2 HIS A 96 -11.191 -2.316 -15.709 1.00 0.00 C ATOM 1276 CE1 HIS A 96 -10.938 -4.358 -15.346 1.00 0.00 C ATOM 1277 NE2 HIS A 96 -11.347 -3.529 -16.310 1.00 0.00 N ATOM 0 H HIS A 96 -7.974 -2.013 -13.710 1.00 0.00 H new ATOM 0 HA HIS A 96 -9.682 -0.160 -14.964 1.00 0.00 H new ATOM 0 HB2 HIS A 96 -9.891 -1.957 -12.496 1.00 0.00 H new ATOM 0 HB3 HIS A 96 -11.250 -0.972 -13.000 1.00 0.00 H new ATOM 0 HD2 HIS A 96 -11.415 -1.361 -16.160 1.00 0.00 H new ATOM 0 HE1 HIS A 96 -10.914 -5.433 -15.447 1.00 0.00 H new ATOM 0 HE2 HIS A 96 -11.686 -3.746 -17.247 1.00 0.00 H new ATOM 1285 N TYR A 97 -8.439 0.904 -12.186 1.00 0.00 N ATOM 1286 CA TYR A 97 -8.389 2.103 -11.309 1.00 0.00 C ATOM 1287 C TYR A 97 -7.446 3.162 -11.869 1.00 0.00 C ATOM 1288 O TYR A 97 -7.587 4.333 -11.576 1.00 0.00 O ATOM 1289 CB TYR A 97 -7.906 1.674 -9.921 1.00 0.00 C ATOM 1290 CG TYR A 97 -9.104 1.146 -9.124 1.00 0.00 C ATOM 1291 CD1 TYR A 97 -10.168 1.974 -8.826 1.00 0.00 C ATOM 1292 CD2 TYR A 97 -9.144 -0.166 -8.701 1.00 0.00 C ATOM 1293 CE1 TYR A 97 -11.250 1.502 -8.122 1.00 0.00 C ATOM 1294 CE2 TYR A 97 -10.230 -0.640 -7.995 1.00 0.00 C ATOM 1295 CZ TYR A 97 -11.292 0.191 -7.700 1.00 0.00 C ATOM 1296 OH TYR A 97 -12.374 -0.279 -6.988 1.00 0.00 O ATOM 0 H TYR A 97 -7.713 0.207 -12.022 1.00 0.00 H new ATOM 0 HA TYR A 97 -9.387 2.538 -11.253 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -7.141 0.902 -10.009 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -7.450 2.517 -9.403 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -10.150 3.004 -9.150 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -8.319 -0.827 -8.924 1.00 0.00 H new ATOM 0 HE1 TYR A 97 -12.074 2.164 -7.898 1.00 0.00 H new ATOM 0 HE2 TYR A 97 -10.250 -1.670 -7.670 1.00 0.00 H new ATOM 0 HH TYR A 97 -12.238 -1.225 -6.772 1.00 0.00 H new ATOM 1306 N ARG A 98 -6.500 2.743 -12.664 1.00 0.00 N ATOM 1307 CA ARG A 98 -5.555 3.730 -13.239 1.00 0.00 C ATOM 1308 C ARG A 98 -6.292 4.675 -14.152 1.00 0.00 C ATOM 1309 O ARG A 98 -5.869 5.790 -14.365 1.00 0.00 O ATOM 1310 CB ARG A 98 -4.487 2.982 -14.042 1.00 0.00 C ATOM 1311 CG ARG A 98 -3.141 3.100 -13.320 1.00 0.00 C ATOM 1312 CD ARG A 98 -2.153 2.108 -13.931 1.00 0.00 C ATOM 1313 NE ARG A 98 -1.850 2.523 -15.330 1.00 0.00 N ATOM 1314 CZ ARG A 98 -1.488 1.621 -16.200 1.00 0.00 C ATOM 1315 NH1 ARG A 98 -1.119 0.444 -15.772 1.00 0.00 N ATOM 1316 NH2 ARG A 98 -1.504 1.925 -17.468 1.00 0.00 N ATOM 0 H ARG A 98 -6.345 1.772 -12.935 1.00 0.00 H new ATOM 0 HA ARG A 98 -5.090 4.301 -12.435 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -4.764 1.934 -14.151 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -4.412 3.398 -15.047 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -2.756 4.116 -13.408 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -3.267 2.898 -12.256 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -1.237 2.077 -13.341 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -2.574 1.102 -13.919 1.00 0.00 H new ATOM 0 HE ARG A 98 -1.925 3.503 -15.604 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -1.117 0.242 -14.772 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -0.833 -0.274 -16.438 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -1.796 2.856 -17.766 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -1.224 1.232 -18.162 1.00 0.00 H new ATOM 1330 N ASN A 99 -7.386 4.213 -14.681 1.00 0.00 N ATOM 1331 CA ASN A 99 -8.168 5.081 -15.589 1.00 0.00 C ATOM 1332 C ASN A 99 -9.276 5.817 -14.833 1.00 0.00 C ATOM 1333 O ASN A 99 -9.754 6.839 -15.285 1.00 0.00 O ATOM 1334 CB ASN A 99 -8.816 4.196 -16.651 1.00 0.00 C ATOM 1335 CG ASN A 99 -8.245 4.548 -18.029 1.00 0.00 C ATOM 1336 OD1 ASN A 99 -8.760 5.398 -18.729 1.00 0.00 O ATOM 1337 ND2 ASN A 99 -7.184 3.919 -18.454 1.00 0.00 N ATOM 0 H ASN A 99 -7.768 3.280 -14.524 1.00 0.00 H new ATOM 0 HA ASN A 99 -7.500 5.819 -16.033 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -8.631 3.146 -16.426 1.00 0.00 H new ATOM 0 HB3 ASN A 99 -9.897 4.337 -16.647 1.00 0.00 H new ATOM 0 HD21 ASN A 99 -6.791 4.142 -19.369 1.00 0.00 H new ATOM 0 HD22 ASN A 99 -6.747 3.205 -17.872 1.00 0.00 H new ATOM 1344 N GLU A 100 -9.659 5.283 -13.689 1.00 0.00 N ATOM 1345 CA GLU A 100 -10.742 5.940 -12.885 1.00 0.00 C ATOM 1346 C GLU A 100 -10.254 6.535 -11.552 1.00 0.00 C ATOM 1347 O GLU A 100 -9.778 7.649 -11.508 1.00 0.00 O ATOM 1348 CB GLU A 100 -11.809 4.877 -12.587 1.00 0.00 C ATOM 1349 CG GLU A 100 -12.385 4.364 -13.910 1.00 0.00 C ATOM 1350 CD GLU A 100 -13.865 4.019 -13.721 1.00 0.00 C ATOM 1351 OE1 GLU A 100 -14.661 4.924 -13.910 1.00 0.00 O ATOM 1352 OE2 GLU A 100 -14.115 2.869 -13.399 1.00 0.00 O ATOM 0 H GLU A 100 -9.272 4.431 -13.284 1.00 0.00 H new ATOM 0 HA GLU A 100 -11.127 6.773 -13.472 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -11.372 4.053 -12.022 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -12.602 5.302 -11.971 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -12.273 5.121 -14.686 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -11.835 3.484 -14.242 1.00 0.00 H new ATOM 1359 N SER A 101 -10.389 5.771 -10.497 1.00 0.00 N ATOM 1360 CA SER A 101 -9.954 6.255 -9.150 1.00 0.00 C ATOM 1361 C SER A 101 -10.522 5.335 -8.083 1.00 0.00 C ATOM 1362 O SER A 101 -11.548 4.716 -8.293 1.00 0.00 O ATOM 1363 CB SER A 101 -10.548 7.653 -8.924 1.00 0.00 C ATOM 1364 OG SER A 101 -10.650 7.760 -7.513 1.00 0.00 O ATOM 0 H SER A 101 -10.783 4.830 -10.510 1.00 0.00 H new ATOM 0 HA SER A 101 -8.865 6.274 -9.097 1.00 0.00 H new ATOM 0 HB2 SER A 101 -9.906 8.431 -9.338 1.00 0.00 H new ATOM 0 HB3 SER A 101 -11.522 7.755 -9.403 1.00 0.00 H new ATOM 0 HG SER A 101 -11.024 8.635 -7.277 1.00 0.00 H new ATOM 1370 N LEU A 102 -9.870 5.255 -6.961 1.00 0.00 N ATOM 1371 CA LEU A 102 -10.394 4.368 -5.897 1.00 0.00 C ATOM 1372 C LEU A 102 -11.328 5.110 -4.966 1.00 0.00 C ATOM 1373 O LEU A 102 -11.014 5.346 -3.810 1.00 0.00 O ATOM 1374 CB LEU A 102 -9.223 3.810 -5.100 1.00 0.00 C ATOM 1375 CG LEU A 102 -8.257 3.159 -6.072 1.00 0.00 C ATOM 1376 CD1 LEU A 102 -6.986 3.964 -6.101 1.00 0.00 C ATOM 1377 CD2 LEU A 102 -7.944 1.733 -5.623 1.00 0.00 C ATOM 0 H LEU A 102 -9.011 5.757 -6.738 1.00 0.00 H new ATOM 0 HA LEU A 102 -10.958 3.562 -6.366 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -8.726 4.606 -4.546 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -9.573 3.083 -4.368 1.00 0.00 H new ATOM 0 HG LEU A 102 -8.705 3.126 -7.065 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -6.282 3.507 -6.796 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -7.207 4.981 -6.424 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -6.547 3.988 -5.103 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -7.250 1.274 -6.327 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -7.493 1.755 -4.631 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -8.865 1.151 -5.590 1.00 0.00 H new ATOM 1534 N LYS A 112 -7.319 9.413 -5.823 1.00 0.00 N ATOM 1535 CA LYS A 112 -7.166 9.488 -7.303 1.00 0.00 C ATOM 1536 C LYS A 112 -5.811 8.926 -7.689 1.00 0.00 C ATOM 1537 O LYS A 112 -4.804 9.606 -7.653 1.00 0.00 O ATOM 1538 CB LYS A 112 -7.258 10.965 -7.728 1.00 0.00 C ATOM 1539 CG LYS A 112 -8.190 11.698 -6.761 1.00 0.00 C ATOM 1540 CD LYS A 112 -8.539 13.072 -7.335 1.00 0.00 C ATOM 1541 CE LYS A 112 -9.558 13.751 -6.417 1.00 0.00 C ATOM 1542 NZ LYS A 112 -8.915 14.161 -5.134 1.00 0.00 N ATOM 0 HA LYS A 112 -7.948 8.912 -7.798 1.00 0.00 H new ATOM 0 HB2 LYS A 112 -6.269 11.423 -7.719 1.00 0.00 H new ATOM 0 HB3 LYS A 112 -7.636 11.042 -8.748 1.00 0.00 H new ATOM 0 HG2 LYS A 112 -9.098 11.116 -6.603 1.00 0.00 H new ATOM 0 HG3 LYS A 112 -7.709 11.809 -5.789 1.00 0.00 H new ATOM 0 HD2 LYS A 112 -7.641 13.684 -7.419 1.00 0.00 H new ATOM 0 HD3 LYS A 112 -8.948 12.967 -8.340 1.00 0.00 H new ATOM 0 HE2 LYS A 112 -9.979 14.624 -6.915 1.00 0.00 H new ATOM 0 HE3 LYS A 112 -10.385 13.070 -6.215 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 -9.568 14.765 -4.596 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 -8.686 13.315 -4.575 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 -8.042 14.689 -5.336 1.00 0.00 H new ATOM 1556 N LEU A 113 -5.824 7.690 -8.044 1.00 0.00 N ATOM 1557 CA LEU A 113 -4.595 7.013 -8.438 1.00 0.00 C ATOM 1558 C LEU A 113 -4.319 7.179 -9.944 1.00 0.00 C ATOM 1559 O LEU A 113 -4.756 6.383 -10.750 1.00 0.00 O ATOM 1560 CB LEU A 113 -4.856 5.548 -8.085 1.00 0.00 C ATOM 1561 CG LEU A 113 -3.664 4.688 -8.429 1.00 0.00 C ATOM 1562 CD1 LEU A 113 -3.207 3.985 -7.158 1.00 0.00 C ATOM 1563 CD2 LEU A 113 -4.072 3.633 -9.460 1.00 0.00 C ATOM 0 H LEU A 113 -6.662 7.109 -8.077 1.00 0.00 H new ATOM 0 HA LEU A 113 -3.717 7.419 -7.936 1.00 0.00 H new ATOM 0 HB2 LEU A 113 -5.077 5.460 -7.021 1.00 0.00 H new ATOM 0 HB3 LEU A 113 -5.734 5.191 -8.624 1.00 0.00 H new ATOM 0 HG LEU A 113 -2.864 5.303 -8.841 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -2.345 3.356 -7.380 1.00 0.00 H new ATOM 0 HD12 LEU A 113 -2.931 4.728 -6.410 1.00 0.00 H new ATOM 0 HD13 LEU A 113 -4.018 3.367 -6.773 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -3.210 3.013 -9.707 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -4.863 3.007 -9.047 1.00 0.00 H new ATOM 0 HD23 LEU A 113 -4.434 4.127 -10.362 1.00 0.00 H new ATOM 1575 N LEU A 114 -3.595 8.239 -10.287 1.00 0.00 N ATOM 1576 CA LEU A 114 -3.274 8.494 -11.708 1.00 0.00 C ATOM 1577 C LEU A 114 -1.821 8.983 -11.910 1.00 0.00 C ATOM 1578 O LEU A 114 -1.516 9.612 -12.907 1.00 0.00 O ATOM 1579 CB LEU A 114 -4.219 9.605 -12.178 1.00 0.00 C ATOM 1580 CG LEU A 114 -5.500 8.989 -12.692 1.00 0.00 C ATOM 1581 CD1 LEU A 114 -6.650 9.987 -12.522 1.00 0.00 C ATOM 1582 CD2 LEU A 114 -5.315 8.687 -14.158 1.00 0.00 C ATOM 0 H LEU A 114 -3.223 8.925 -9.630 1.00 0.00 H new ATOM 0 HA LEU A 114 -3.387 7.565 -12.267 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -4.435 10.287 -11.355 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -3.745 10.193 -12.963 1.00 0.00 H new ATOM 0 HG LEU A 114 -5.733 8.079 -12.140 1.00 0.00 H new ATOM 0 HD11 LEU A 114 -7.574 9.544 -12.892 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -6.764 10.235 -11.467 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -6.431 10.894 -13.086 1.00 0.00 H new ATOM 0 HD21 LEU A 114 -6.227 8.241 -14.555 1.00 0.00 H new ATOM 0 HD22 LEU A 114 -5.099 9.610 -14.695 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -4.485 7.991 -14.284 1.00 0.00 H new ATOM 1594 N TYR A 115 -0.956 8.683 -10.981 1.00 0.00 N ATOM 1595 CA TYR A 115 0.461 9.136 -11.132 1.00 0.00 C ATOM 1596 C TYR A 115 1.447 8.114 -10.564 1.00 0.00 C ATOM 1597 O TYR A 115 1.917 8.266 -9.459 1.00 0.00 O ATOM 1598 CB TYR A 115 0.627 10.422 -10.329 1.00 0.00 C ATOM 1599 CG TYR A 115 -0.305 11.495 -10.878 1.00 0.00 C ATOM 1600 CD1 TYR A 115 0.116 12.340 -11.882 1.00 0.00 C ATOM 1601 CD2 TYR A 115 -1.579 11.638 -10.372 1.00 0.00 C ATOM 1602 CE1 TYR A 115 -0.726 13.317 -12.374 1.00 0.00 C ATOM 1603 CE2 TYR A 115 -2.423 12.612 -10.862 1.00 0.00 C ATOM 1604 CZ TYR A 115 -2.002 13.462 -11.867 1.00 0.00 C ATOM 1605 OH TYR A 115 -2.841 14.444 -12.351 1.00 0.00 O ATOM 0 H TYR A 115 -1.161 8.152 -10.135 1.00 0.00 H new ATOM 0 HA TYR A 115 0.667 9.272 -12.194 1.00 0.00 H new ATOM 0 HB2 TYR A 115 0.405 10.237 -9.278 1.00 0.00 H new ATOM 0 HB3 TYR A 115 1.661 10.764 -10.381 1.00 0.00 H new ATOM 0 HD1 TYR A 115 1.112 12.237 -12.287 1.00 0.00 H new ATOM 0 HD2 TYR A 115 -1.919 10.981 -9.585 1.00 0.00 H new ATOM 0 HE1 TYR A 115 -0.384 13.973 -13.161 1.00 0.00 H new ATOM 0 HE2 TYR A 115 -3.420 12.711 -10.458 1.00 0.00 H new ATOM 0 HH TYR A 115 -3.700 14.401 -11.881 1.00 0.00 H new ATOM 1615 N PRO A 116 1.744 7.081 -11.329 1.00 0.00 N ATOM 1616 CA PRO A 116 2.674 6.051 -10.879 1.00 0.00 C ATOM 1617 C PRO A 116 4.118 6.502 -11.024 1.00 0.00 C ATOM 1618 O PRO A 116 4.416 7.369 -11.822 1.00 0.00 O ATOM 1619 CB PRO A 116 2.447 4.881 -11.840 1.00 0.00 C ATOM 1620 CG PRO A 116 1.587 5.420 -13.029 1.00 0.00 C ATOM 1621 CD PRO A 116 1.151 6.848 -12.655 1.00 0.00 C ATOM 0 HA PRO A 116 2.507 5.808 -9.830 1.00 0.00 H new ATOM 0 HB2 PRO A 116 3.398 4.489 -12.200 1.00 0.00 H new ATOM 0 HB3 PRO A 116 1.935 4.062 -11.335 1.00 0.00 H new ATOM 0 HG2 PRO A 116 2.165 5.422 -13.953 1.00 0.00 H new ATOM 0 HG3 PRO A 116 0.719 4.783 -13.197 1.00 0.00 H new ATOM 0 HD2 PRO A 116 1.510 7.576 -13.383 1.00 0.00 H new ATOM 0 HD3 PRO A 116 0.065 6.936 -12.625 1.00 0.00 H new ATOM 1629 N VAL A 117 4.989 5.902 -10.247 1.00 0.00 N ATOM 1630 CA VAL A 117 6.424 6.272 -10.323 1.00 0.00 C ATOM 1631 C VAL A 117 7.237 5.032 -10.619 1.00 0.00 C ATOM 1632 O VAL A 117 7.091 4.032 -9.957 1.00 0.00 O ATOM 1633 CB VAL A 117 6.885 6.847 -8.979 1.00 0.00 C ATOM 1634 CG1 VAL A 117 6.614 8.350 -8.959 1.00 0.00 C ATOM 1635 CG2 VAL A 117 6.121 6.180 -7.848 1.00 0.00 C ATOM 0 H VAL A 117 4.762 5.175 -9.568 1.00 0.00 H new ATOM 0 HA VAL A 117 6.562 7.016 -11.108 1.00 0.00 H new ATOM 0 HB VAL A 117 7.951 6.662 -8.849 1.00 0.00 H new ATOM 0 HG11 VAL A 117 6.940 8.766 -8.005 1.00 0.00 H new ATOM 0 HG12 VAL A 117 7.162 8.829 -9.770 1.00 0.00 H new ATOM 0 HG13 VAL A 117 5.546 8.529 -9.087 1.00 0.00 H new ATOM 0 HG21 VAL A 117 6.451 6.591 -6.894 1.00 0.00 H new ATOM 0 HG22 VAL A 117 5.054 6.363 -7.972 1.00 0.00 H new ATOM 0 HG23 VAL A 117 6.309 5.107 -7.865 1.00 0.00 H new ATOM 1645 N SER A 118 8.059 5.098 -11.619 1.00 0.00 N ATOM 1646 CA SER A 118 8.864 3.931 -11.950 1.00 0.00 C ATOM 1647 C SER A 118 10.183 4.324 -12.594 1.00 0.00 C ATOM 1648 O SER A 118 10.369 5.455 -12.998 1.00 0.00 O ATOM 1649 CB SER A 118 8.069 3.123 -12.947 1.00 0.00 C ATOM 1650 OG SER A 118 7.135 4.053 -13.475 1.00 0.00 O ATOM 0 H SER A 118 8.199 5.915 -12.214 1.00 0.00 H new ATOM 0 HA SER A 118 9.089 3.374 -11.040 1.00 0.00 H new ATOM 0 HB2 SER A 118 8.708 2.712 -13.728 1.00 0.00 H new ATOM 0 HB3 SER A 118 7.568 2.281 -12.470 1.00 0.00 H new ATOM 0 HG SER A 118 6.571 3.608 -14.141 1.00 0.00 H new