USER MOD reduce.3.24.130724 H: found=0, std=0, add=586, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 479 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 54 TYR OH : rot -55:sc= -1.57! USER MOD Set 1.2: B 3 LYS NZ :NH3+ -153:sc= 0.614 (180deg=-0.401) USER MOD Single : A 1 ALA N :NH3+ -114:sc= 0.0725 (180deg=0) USER MOD Single : A 5 THR OG1 : rot 180:sc= -0.0974 USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 TYR OH : rot 100:sc= -2.71! USER MOD Single : A 16 ASN : amide:sc= -0.0951 K(o=-0.095,f=-1.6!) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 ASN :FLIP amide:sc= -0.343 F(o=-1.5,f=-0.34) USER MOD Single : A 25 LYS NZ :NH3+ 161:sc= 1.52 (180deg=0.389) USER MOD Single : A 28 ASN :FLIP amide:sc= -2.38! C(o=-8.3!,f=-2.4!) USER MOD Single : A 43 LYS NZ :NH3+ -151:sc= -2.89! (180deg=-3.64!) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 153:sc= 1.11 (180deg=-0.624) USER MOD Single : A 52 SER OG : rot 145:sc= 0.721 USER MOD Single : A 53 ASN : amide:sc= -1.66 K(o=-1.7,f=-5.2!) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 59 ASN :FLIP amide:sc= -0.583 F(o=-3,f=-0.58) USER MOD Single : B 1 THR OG1 : rot 180:sc= 0 USER MOD Single : B 4 THR OG1 : rot -50:sc= 0.944 USER MOD Single : B 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 6 LYS NZ :NH3+ -161:sc= -0.0959 (180deg=-0.68) USER MOD Single : B -3 LYS NZ :NH3+ -109:sc= 0.664 (180deg=-0.319) USER MOD Single : B -5 SER OG : rot 180:sc= 0.0351 USER MOD Single : B -6 HIS : no HD1:sc= -6.04! C(o=-6!,f=-8!) USER MOD Single : B -8 LYS NZ :NH3+ -172:sc= -1.07 (180deg=-1.3) USER MOD Single : B -10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 4.218 -14.237 -4.144 1.00 0.00 N ATOM 2 CA ALA A 1 3.435 -13.732 -2.988 1.00 0.00 C ATOM 3 C ALA A 1 2.015 -13.355 -3.409 1.00 0.00 C ATOM 4 O ALA A 1 1.736 -13.179 -4.595 1.00 0.00 O ATOM 5 CB ALA A 1 4.131 -12.530 -2.358 1.00 0.00 C ATOM 0 H1 ALA A 1 4.443 -15.242 -3.999 1.00 0.00 H new ATOM 0 H2 ALA A 1 3.660 -14.130 -5.015 1.00 0.00 H new ATOM 0 H3 ALA A 1 5.101 -13.694 -4.229 1.00 0.00 H new ATOM 0 HA ALA A 1 3.372 -14.532 -2.250 1.00 0.00 H new ATOM 0 HB1 ALA A 1 3.544 -12.172 -1.512 1.00 0.00 H new ATOM 0 HB2 ALA A 1 5.123 -12.823 -2.014 1.00 0.00 H new ATOM 0 HB3 ALA A 1 4.224 -11.735 -3.098 1.00 0.00 H new ATOM 13 N PRO A 2 1.100 -13.229 -2.434 1.00 0.00 N ATOM 14 CA PRO A 2 -0.301 -12.858 -2.690 1.00 0.00 C ATOM 15 C PRO A 2 -0.406 -11.523 -3.410 1.00 0.00 C ATOM 16 O PRO A 2 0.565 -10.778 -3.509 1.00 0.00 O ATOM 17 CB PRO A 2 -0.901 -12.824 -1.267 1.00 0.00 C ATOM 18 CG PRO A 2 0.265 -12.590 -0.376 1.00 0.00 C ATOM 19 CD PRO A 2 1.354 -13.415 -0.994 1.00 0.00 C ATOM 0 HA PRO A 2 -0.827 -13.547 -3.351 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -1.642 -12.031 -1.168 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -1.403 -13.761 -1.026 1.00 0.00 H new ATOM 0 HG2 PRO A 2 0.535 -11.535 -0.338 1.00 0.00 H new ATOM 0 HG3 PRO A 2 0.057 -12.903 0.647 1.00 0.00 H new ATOM 0 HD2 PRO A 2 2.345 -13.064 -0.706 1.00 0.00 H new ATOM 0 HD3 PRO A 2 1.289 -14.463 -0.700 1.00 0.00 H new ATOM 24 N TRP A 3 -1.590 -11.237 -3.917 1.00 0.00 N ATOM 25 CA TRP A 3 -1.839 -10.010 -4.654 1.00 0.00 C ATOM 26 C TRP A 3 -3.136 -9.364 -4.200 1.00 0.00 C ATOM 27 O TRP A 3 -3.992 -9.996 -3.580 1.00 0.00 O ATOM 28 CB TRP A 3 -1.887 -10.326 -6.145 1.00 0.00 C ATOM 29 CG TRP A 3 -3.110 -11.062 -6.538 1.00 0.00 C ATOM 30 CD1 TRP A 3 -3.354 -12.399 -6.459 1.00 0.00 C ATOM 31 CD2 TRP A 3 -4.268 -10.465 -7.060 1.00 0.00 C ATOM 32 NE1 TRP A 3 -4.621 -12.665 -6.918 1.00 0.00 N ATOM 33 CE2 TRP A 3 -5.203 -11.478 -7.304 1.00 0.00 C ATOM 34 CE3 TRP A 3 -4.587 -9.153 -7.346 1.00 0.00 C ATOM 35 CZ2 TRP A 3 -6.463 -11.200 -7.836 1.00 0.00 C ATOM 36 CZ3 TRP A 3 -5.812 -8.870 -7.860 1.00 0.00 C ATOM 37 CH2 TRP A 3 -6.750 -9.884 -8.107 1.00 0.00 C ATOM 0 H TRP A 3 -2.404 -11.845 -3.831 1.00 0.00 H new ATOM 0 HA TRP A 3 -1.033 -9.303 -4.460 1.00 0.00 H new ATOM 0 HB2 TRP A 3 -1.831 -9.396 -6.711 1.00 0.00 H new ATOM 0 HB3 TRP A 3 -1.011 -10.916 -6.415 1.00 0.00 H new ATOM 0 HD1 TRP A 3 -2.657 -13.138 -6.091 1.00 0.00 H new ATOM 0 HE1 TRP A 3 -5.057 -13.586 -6.965 1.00 0.00 H new ATOM 0 HE3 TRP A 3 -3.873 -8.363 -7.164 1.00 0.00 H new ATOM 0 HZ2 TRP A 3 -7.181 -11.984 -8.026 1.00 0.00 H new ATOM 0 HZ3 TRP A 3 -6.069 -7.845 -8.083 1.00 0.00 H new ATOM 0 HH2 TRP A 3 -7.715 -9.625 -8.518 1.00 0.00 H new ATOM 47 N ALA A 4 -3.255 -8.084 -4.529 1.00 0.00 N ATOM 48 CA ALA A 4 -4.437 -7.345 -4.139 1.00 0.00 C ATOM 49 C ALA A 4 -4.767 -6.206 -5.091 1.00 0.00 C ATOM 50 O ALA A 4 -3.933 -5.786 -5.881 1.00 0.00 O ATOM 51 CB ALA A 4 -4.276 -6.786 -2.737 1.00 0.00 C ATOM 0 H ALA A 4 -2.562 -7.550 -5.053 1.00 0.00 H new ATOM 0 HA ALA A 4 -5.263 -8.055 -4.172 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -5.174 -6.233 -2.460 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -4.123 -7.605 -2.034 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -3.415 -6.118 -2.708 1.00 0.00 H new ATOM 57 N THR A 5 -5.983 -5.724 -5.010 1.00 0.00 N ATOM 58 CA THR A 5 -6.428 -4.613 -5.837 1.00 0.00 C ATOM 59 C THR A 5 -6.742 -3.409 -4.974 1.00 0.00 C ATOM 60 O THR A 5 -7.182 -3.554 -3.834 1.00 0.00 O ATOM 61 CB THR A 5 -7.684 -4.975 -6.649 1.00 0.00 C ATOM 62 OG1 THR A 5 -7.501 -6.238 -7.301 1.00 0.00 O ATOM 63 CG2 THR A 5 -7.985 -3.903 -7.683 1.00 0.00 C ATOM 0 H THR A 5 -6.695 -6.084 -4.374 1.00 0.00 H new ATOM 0 HA THR A 5 -5.617 -4.383 -6.527 1.00 0.00 H new ATOM 0 HB THR A 5 -8.527 -5.042 -5.962 1.00 0.00 H new ATOM 0 HG1 THR A 5 -8.306 -6.461 -7.814 1.00 0.00 H new ATOM 0 HG21 THR A 5 -8.877 -4.180 -8.245 1.00 0.00 H new ATOM 0 HG22 THR A 5 -8.154 -2.950 -7.181 1.00 0.00 H new ATOM 0 HG23 THR A 5 -7.141 -3.809 -8.366 1.00 0.00 H new ATOM 71 N ALA A 6 -6.522 -2.209 -5.513 1.00 0.00 N ATOM 72 CA ALA A 6 -6.802 -0.972 -4.789 1.00 0.00 C ATOM 73 C ALA A 6 -8.280 -0.615 -4.884 1.00 0.00 C ATOM 74 O ALA A 6 -8.905 -0.764 -5.933 1.00 0.00 O ATOM 75 CB ALA A 6 -5.952 0.170 -5.331 1.00 0.00 C ATOM 0 H ALA A 6 -6.149 -2.069 -6.452 1.00 0.00 H new ATOM 0 HA ALA A 6 -6.549 -1.129 -3.740 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -6.175 1.083 -4.779 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -4.896 -0.076 -5.215 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -6.176 0.321 -6.387 1.00 0.00 H new ATOM 81 N GLU A 7 -8.824 -0.137 -3.772 1.00 0.00 N ATOM 82 CA GLU A 7 -10.225 0.261 -3.714 1.00 0.00 C ATOM 83 C GLU A 7 -10.383 1.771 -3.501 1.00 0.00 C ATOM 84 O GLU A 7 -11.487 2.307 -3.608 1.00 0.00 O ATOM 85 CB GLU A 7 -10.947 -0.458 -2.573 1.00 0.00 C ATOM 86 CG GLU A 7 -10.894 -1.973 -2.678 1.00 0.00 C ATOM 87 CD GLU A 7 -11.537 -2.663 -1.491 1.00 0.00 C ATOM 88 OE1 GLU A 7 -10.865 -2.797 -0.447 1.00 0.00 O ATOM 89 OE2 GLU A 7 -12.713 -3.070 -1.606 1.00 0.00 O ATOM 0 H GLU A 7 -8.315 -0.015 -2.896 1.00 0.00 H new ATOM 0 HA GLU A 7 -10.663 -0.014 -4.673 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -10.505 -0.152 -1.625 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -11.989 -0.140 -2.556 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -11.397 -2.288 -3.593 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -9.855 -2.292 -2.760 1.00 0.00 H new ATOM 94 N TYR A 8 -9.274 2.452 -3.200 1.00 0.00 N ATOM 95 CA TYR A 8 -9.274 3.894 -2.951 1.00 0.00 C ATOM 96 C TYR A 8 -7.954 4.502 -3.385 1.00 0.00 C ATOM 97 O TYR A 8 -6.903 3.882 -3.224 1.00 0.00 O ATOM 98 CB TYR A 8 -9.473 4.089 -1.464 1.00 0.00 C ATOM 99 CG TYR A 8 -10.644 3.303 -0.972 1.00 0.00 C ATOM 100 CD1 TYR A 8 -11.925 3.753 -1.208 1.00 0.00 C ATOM 101 CD2 TYR A 8 -10.471 2.102 -0.310 1.00 0.00 C ATOM 102 CE1 TYR A 8 -13.016 3.034 -0.792 1.00 0.00 C ATOM 103 CE2 TYR A 8 -11.554 1.370 0.114 1.00 0.00 C ATOM 104 CZ TYR A 8 -12.831 1.838 -0.129 1.00 0.00 C ATOM 105 OH TYR A 8 -13.920 1.110 0.291 1.00 0.00 O ATOM 0 H TYR A 8 -8.354 2.019 -3.122 1.00 0.00 H new ATOM 0 HA TYR A 8 -10.067 4.383 -3.516 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -8.574 3.781 -0.930 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -9.625 5.147 -1.250 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -12.072 4.687 -1.729 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -9.473 1.734 -0.124 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -14.014 3.401 -0.982 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -11.408 0.435 0.634 1.00 0.00 H new ATOM 0 HH TYR A 8 -13.615 0.294 0.740 1.00 0.00 H new ATOM 114 N ASP A 9 -7.992 5.713 -3.936 1.00 0.00 N ATOM 115 CA ASP A 9 -6.811 6.426 -4.411 1.00 0.00 C ATOM 116 C ASP A 9 -5.914 6.745 -3.233 1.00 0.00 C ATOM 117 O ASP A 9 -6.005 7.817 -2.634 1.00 0.00 O ATOM 118 CB ASP A 9 -7.256 7.715 -5.098 1.00 0.00 C ATOM 119 CG ASP A 9 -6.097 8.462 -5.729 1.00 0.00 C ATOM 120 OD1 ASP A 9 -4.935 8.078 -5.478 1.00 0.00 O ATOM 121 OD2 ASP A 9 -6.351 9.430 -6.476 1.00 0.00 O ATOM 0 H ASP A 9 -8.859 6.234 -4.067 1.00 0.00 H new ATOM 0 HA ASP A 9 -6.258 5.811 -5.121 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -7.994 7.479 -5.865 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -7.748 8.360 -4.370 1.00 0.00 H new ATOM 125 N TYR A 10 -5.051 5.804 -2.906 1.00 0.00 N ATOM 126 CA TYR A 10 -4.166 5.946 -1.759 1.00 0.00 C ATOM 127 C TYR A 10 -2.944 6.798 -2.072 1.00 0.00 C ATOM 128 O TYR A 10 -2.259 6.569 -3.068 1.00 0.00 O ATOM 129 CB TYR A 10 -3.753 4.569 -1.274 1.00 0.00 C ATOM 130 CG TYR A 10 -2.831 4.587 -0.088 1.00 0.00 C ATOM 131 CD1 TYR A 10 -3.053 5.451 0.975 1.00 0.00 C ATOM 132 CD2 TYR A 10 -1.740 3.734 -0.029 1.00 0.00 C ATOM 133 CE1 TYR A 10 -2.211 5.462 2.064 1.00 0.00 C ATOM 134 CE2 TYR A 10 -0.893 3.741 1.055 1.00 0.00 C ATOM 135 CZ TYR A 10 -1.134 4.606 2.097 1.00 0.00 C ATOM 136 OH TYR A 10 -0.297 4.611 3.178 1.00 0.00 O ATOM 0 H TYR A 10 -4.941 4.929 -3.418 1.00 0.00 H new ATOM 0 HA TYR A 10 -4.712 6.466 -0.972 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -4.648 4.003 -1.016 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -3.265 4.039 -2.092 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -3.897 6.124 0.948 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -1.552 3.054 -0.846 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -2.394 6.138 2.886 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -0.045 3.073 1.088 1.00 0.00 H new ATOM 0 HH TYR A 10 -0.519 3.860 3.767 1.00 0.00 H new ATOM 145 N ASP A 11 -2.691 7.798 -1.226 1.00 0.00 N ATOM 146 CA ASP A 11 -1.522 8.647 -1.420 1.00 0.00 C ATOM 147 C ASP A 11 -0.533 8.543 -0.244 1.00 0.00 C ATOM 148 O ASP A 11 -0.288 9.535 0.441 1.00 0.00 O ATOM 149 CB ASP A 11 -2.000 10.093 -1.552 1.00 0.00 C ATOM 150 CG ASP A 11 -0.858 11.087 -1.641 1.00 0.00 C ATOM 151 OD1 ASP A 11 -0.169 11.108 -2.682 1.00 0.00 O ATOM 152 OD2 ASP A 11 -0.653 11.844 -0.669 1.00 0.00 O ATOM 0 H ASP A 11 -3.267 8.034 -0.418 1.00 0.00 H new ATOM 0 HA ASP A 11 -0.998 8.319 -2.318 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -2.624 10.184 -2.441 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -2.626 10.343 -0.696 1.00 0.00 H new ATOM 156 N ALA A 12 0.022 7.334 -0.029 1.00 0.00 N ATOM 157 CA ALA A 12 1.028 7.046 1.019 1.00 0.00 C ATOM 158 C ALA A 12 1.186 8.164 2.063 1.00 0.00 C ATOM 159 O ALA A 12 1.957 9.102 1.869 1.00 0.00 O ATOM 160 CB ALA A 12 2.357 6.773 0.344 1.00 0.00 C ATOM 0 H ALA A 12 -0.219 6.515 -0.587 1.00 0.00 H new ATOM 0 HA ALA A 12 0.676 6.177 1.575 1.00 0.00 H new ATOM 0 HB1 ALA A 12 3.112 6.558 1.100 1.00 0.00 H new ATOM 0 HB2 ALA A 12 2.257 5.916 -0.322 1.00 0.00 H new ATOM 0 HB3 ALA A 12 2.659 7.648 -0.232 1.00 0.00 H new ATOM 166 N ALA A 13 0.451 8.050 3.158 1.00 0.00 N ATOM 167 CA ALA A 13 0.491 9.036 4.241 1.00 0.00 C ATOM 168 C ALA A 13 1.869 9.191 4.954 1.00 0.00 C ATOM 169 O ALA A 13 2.150 10.268 5.479 1.00 0.00 O ATOM 170 CB ALA A 13 -0.556 8.675 5.266 1.00 0.00 C ATOM 0 H ALA A 13 -0.191 7.275 3.327 1.00 0.00 H new ATOM 0 HA ALA A 13 0.298 10.000 3.770 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -0.536 9.402 6.078 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -1.540 8.680 4.798 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -0.349 7.681 5.664 1.00 0.00 H new ATOM 176 N GLU A 14 2.721 8.163 4.991 1.00 0.00 N ATOM 177 CA GLU A 14 4.000 8.265 5.753 1.00 0.00 C ATOM 178 C GLU A 14 5.329 8.275 4.971 1.00 0.00 C ATOM 179 O GLU A 14 6.383 8.376 5.597 1.00 0.00 O ATOM 180 CB GLU A 14 4.125 7.090 6.723 1.00 0.00 C ATOM 181 CG GLU A 14 3.277 7.242 7.973 1.00 0.00 C ATOM 182 CD GLU A 14 4.042 7.864 9.124 1.00 0.00 C ATOM 183 OE1 GLU A 14 5.214 8.246 8.921 1.00 0.00 O ATOM 184 OE2 GLU A 14 3.470 7.970 10.230 1.00 0.00 O ATOM 0 H GLU A 14 2.570 7.270 4.522 1.00 0.00 H new ATOM 0 HA GLU A 14 3.897 9.250 6.208 1.00 0.00 H new ATOM 0 HB2 GLU A 14 3.838 6.173 6.209 1.00 0.00 H new ATOM 0 HB3 GLU A 14 5.170 6.979 7.014 1.00 0.00 H new ATOM 0 HG2 GLU A 14 2.407 7.858 7.745 1.00 0.00 H new ATOM 0 HG3 GLU A 14 2.904 6.264 8.276 1.00 0.00 H new ATOM 189 N ASP A 15 5.294 8.152 3.653 1.00 0.00 N ATOM 190 CA ASP A 15 6.507 8.168 2.798 1.00 0.00 C ATOM 191 C ASP A 15 6.825 6.736 2.412 1.00 0.00 C ATOM 192 O ASP A 15 6.726 6.398 1.230 1.00 0.00 O ATOM 193 CB ASP A 15 7.710 8.883 3.426 1.00 0.00 C ATOM 194 CG ASP A 15 7.353 10.255 3.963 1.00 0.00 C ATOM 195 OD1 ASP A 15 6.226 10.723 3.696 1.00 0.00 O ATOM 196 OD2 ASP A 15 8.202 10.863 4.649 1.00 0.00 O ATOM 0 H ASP A 15 4.427 8.037 3.128 1.00 0.00 H new ATOM 0 HA ASP A 15 6.292 8.762 1.910 1.00 0.00 H new ATOM 0 HB2 ASP A 15 8.110 8.272 4.235 1.00 0.00 H new ATOM 0 HB3 ASP A 15 8.500 8.982 2.681 1.00 0.00 H new ATOM 200 N ASN A 16 7.209 5.867 3.371 1.00 0.00 N ATOM 201 CA ASN A 16 7.460 4.505 2.916 1.00 0.00 C ATOM 202 C ASN A 16 6.189 3.698 3.096 1.00 0.00 C ATOM 203 O ASN A 16 6.149 2.688 3.804 1.00 0.00 O ATOM 204 CB ASN A 16 8.461 3.966 3.950 1.00 0.00 C ATOM 205 CG ASN A 16 9.487 3.038 3.333 1.00 0.00 C ATOM 206 OD1 ASN A 16 9.387 2.672 2.161 1.00 0.00 O ATOM 207 ND2 ASN A 16 10.482 2.653 4.121 1.00 0.00 N ATOM 0 H ASN A 16 7.339 6.062 4.364 1.00 0.00 H new ATOM 0 HA ASN A 16 7.797 4.457 1.880 1.00 0.00 H new ATOM 0 HB2 ASN A 16 8.972 4.802 4.427 1.00 0.00 H new ATOM 0 HB3 ASN A 16 7.920 3.435 4.733 1.00 0.00 H new ATOM 0 HD21 ASN A 16 11.204 2.029 3.762 1.00 0.00 H new ATOM 0 HD22 ASN A 16 10.525 2.981 5.086 1.00 0.00 H new ATOM 213 N GLU A 17 5.155 4.144 2.437 1.00 0.00 N ATOM 214 CA GLU A 17 3.948 3.425 2.226 1.00 0.00 C ATOM 215 C GLU A 17 3.873 3.221 0.722 1.00 0.00 C ATOM 216 O GLU A 17 4.662 3.830 -0.003 1.00 0.00 O ATOM 217 CB GLU A 17 2.776 4.206 2.800 1.00 0.00 C ATOM 218 CG GLU A 17 2.822 4.201 4.325 1.00 0.00 C ATOM 219 CD GLU A 17 1.791 5.098 4.975 1.00 0.00 C ATOM 220 OE1 GLU A 17 1.290 6.008 4.294 1.00 0.00 O ATOM 221 OE2 GLU A 17 1.504 4.909 6.175 1.00 0.00 O ATOM 0 H GLU A 17 5.141 5.072 2.013 1.00 0.00 H new ATOM 0 HA GLU A 17 3.916 2.460 2.732 1.00 0.00 H new ATOM 0 HB2 GLU A 17 2.802 5.232 2.433 1.00 0.00 H new ATOM 0 HB3 GLU A 17 1.838 3.769 2.458 1.00 0.00 H new ATOM 0 HG2 GLU A 17 2.676 3.181 4.679 1.00 0.00 H new ATOM 0 HG3 GLU A 17 3.815 4.512 4.649 1.00 0.00 H new ATOM 226 N LEU A 18 2.979 2.413 0.216 1.00 0.00 N ATOM 227 CA LEU A 18 2.851 2.303 -1.224 1.00 0.00 C ATOM 228 C LEU A 18 1.779 3.297 -1.591 1.00 0.00 C ATOM 229 O LEU A 18 1.094 3.844 -0.727 1.00 0.00 O ATOM 230 CB LEU A 18 2.434 0.895 -1.647 1.00 0.00 C ATOM 231 CG LEU A 18 3.260 0.282 -2.779 1.00 0.00 C ATOM 232 CD1 LEU A 18 2.984 -1.199 -2.880 1.00 0.00 C ATOM 233 CD2 LEU A 18 2.959 0.960 -4.106 1.00 0.00 C ATOM 0 H LEU A 18 2.340 1.832 0.759 1.00 0.00 H new ATOM 0 HA LEU A 18 3.799 2.500 -1.725 1.00 0.00 H new ATOM 0 HB2 LEU A 18 2.495 0.239 -0.778 1.00 0.00 H new ATOM 0 HB3 LEU A 18 1.389 0.920 -1.955 1.00 0.00 H new ATOM 0 HG LEU A 18 4.315 0.436 -2.550 1.00 0.00 H new ATOM 0 HD11 LEU A 18 3.577 -1.625 -3.689 1.00 0.00 H new ATOM 0 HD12 LEU A 18 3.250 -1.684 -1.941 1.00 0.00 H new ATOM 0 HD13 LEU A 18 1.925 -1.359 -3.083 1.00 0.00 H new ATOM 0 HD21 LEU A 18 3.560 0.504 -4.892 1.00 0.00 H new ATOM 0 HD22 LEU A 18 1.902 0.842 -4.343 1.00 0.00 H new ATOM 0 HD23 LEU A 18 3.199 2.021 -4.035 1.00 0.00 H new ATOM 244 N THR A 19 1.636 3.529 -2.879 1.00 0.00 N ATOM 245 CA THR A 19 0.659 4.477 -3.343 1.00 0.00 C ATOM 246 C THR A 19 -0.027 3.944 -4.568 1.00 0.00 C ATOM 247 O THR A 19 0.627 3.499 -5.511 1.00 0.00 O ATOM 248 CB THR A 19 1.333 5.817 -3.674 1.00 0.00 C ATOM 249 OG1 THR A 19 2.755 5.701 -3.540 1.00 0.00 O ATOM 250 CG2 THR A 19 0.819 6.897 -2.752 1.00 0.00 C ATOM 0 H THR A 19 2.181 3.076 -3.613 1.00 0.00 H new ATOM 0 HA THR A 19 -0.077 4.635 -2.555 1.00 0.00 H new ATOM 0 HB THR A 19 1.094 6.084 -4.704 1.00 0.00 H new ATOM 0 HG1 THR A 19 3.175 6.560 -3.755 1.00 0.00 H new ATOM 0 HG21 THR A 19 1.303 7.843 -2.995 1.00 0.00 H new ATOM 0 HG22 THR A 19 -0.259 6.998 -2.876 1.00 0.00 H new ATOM 0 HG23 THR A 19 1.042 6.630 -1.719 1.00 0.00 H new ATOM 258 N PHE A 20 -1.335 3.981 -4.566 1.00 0.00 N ATOM 259 CA PHE A 20 -2.074 3.446 -5.687 1.00 0.00 C ATOM 260 C PHE A 20 -3.398 4.155 -5.886 1.00 0.00 C ATOM 261 O PHE A 20 -3.890 4.871 -5.014 1.00 0.00 O ATOM 262 CB PHE A 20 -2.265 1.937 -5.504 1.00 0.00 C ATOM 263 CG PHE A 20 -2.417 1.562 -4.059 1.00 0.00 C ATOM 264 CD1 PHE A 20 -3.612 1.789 -3.402 1.00 0.00 C ATOM 265 CD2 PHE A 20 -1.353 1.034 -3.347 1.00 0.00 C ATOM 266 CE1 PHE A 20 -3.750 1.489 -2.062 1.00 0.00 C ATOM 267 CE2 PHE A 20 -1.479 0.742 -2.003 1.00 0.00 C ATOM 268 CZ PHE A 20 -2.679 0.967 -1.357 1.00 0.00 C ATOM 0 H PHE A 20 -1.906 4.369 -3.815 1.00 0.00 H new ATOM 0 HA PHE A 20 -1.495 3.620 -6.594 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -3.146 1.613 -6.057 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -1.411 1.409 -5.928 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -4.448 2.206 -3.944 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -0.414 0.849 -3.848 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -4.693 1.661 -1.564 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -0.639 0.338 -1.457 1.00 0.00 H new ATOM 0 HZ PHE A 20 -2.781 0.737 -0.307 1.00 0.00 H new ATOM 277 N VAL A 21 -3.954 3.930 -7.061 1.00 0.00 N ATOM 278 CA VAL A 21 -5.224 4.514 -7.435 1.00 0.00 C ATOM 279 C VAL A 21 -6.206 3.417 -7.752 1.00 0.00 C ATOM 280 O VAL A 21 -5.876 2.503 -8.499 1.00 0.00 O ATOM 281 CB VAL A 21 -5.104 5.446 -8.641 1.00 0.00 C ATOM 282 CG1 VAL A 21 -4.616 6.817 -8.202 1.00 0.00 C ATOM 283 CG2 VAL A 21 -4.173 4.838 -9.669 1.00 0.00 C ATOM 0 H VAL A 21 -3.538 3.339 -7.780 1.00 0.00 H new ATOM 0 HA VAL A 21 -5.571 5.110 -6.590 1.00 0.00 H new ATOM 0 HB VAL A 21 -6.086 5.571 -9.098 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -4.535 7.470 -9.071 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -5.323 7.245 -7.491 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -3.639 6.721 -7.728 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -4.091 5.506 -10.526 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -3.187 4.693 -9.227 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -4.569 3.876 -9.995 1.00 0.00 H new ATOM 293 N GLU A 22 -7.405 3.514 -7.181 1.00 0.00 N ATOM 294 CA GLU A 22 -8.471 2.541 -7.351 1.00 0.00 C ATOM 295 C GLU A 22 -8.328 1.637 -8.556 1.00 0.00 C ATOM 296 O GLU A 22 -7.899 2.039 -9.638 1.00 0.00 O ATOM 297 CB GLU A 22 -9.796 3.265 -7.460 1.00 0.00 C ATOM 298 CG GLU A 22 -10.969 2.415 -7.036 1.00 0.00 C ATOM 299 CD GLU A 22 -12.135 2.496 -8.002 1.00 0.00 C ATOM 300 OE1 GLU A 22 -12.276 3.536 -8.677 1.00 0.00 O ATOM 301 OE2 GLU A 22 -12.908 1.517 -8.084 1.00 0.00 O ATOM 0 H GLU A 22 -7.664 4.292 -6.574 1.00 0.00 H new ATOM 0 HA GLU A 22 -8.416 1.898 -6.473 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -9.764 4.164 -6.844 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -9.943 3.589 -8.490 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -10.647 1.377 -6.949 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -11.301 2.730 -6.047 1.00 0.00 H new ATOM 306 N ASN A 23 -8.759 0.415 -8.345 1.00 0.00 N ATOM 307 CA ASN A 23 -8.660 -0.573 -9.397 1.00 0.00 C ATOM 308 C ASN A 23 -7.191 -0.889 -9.708 1.00 0.00 C ATOM 309 O ASN A 23 -6.901 -1.623 -10.652 1.00 0.00 O ATOM 310 CB ASN A 23 -9.382 -0.085 -10.652 1.00 0.00 C ATOM 311 CG ASN A 23 -10.672 0.649 -10.336 1.00 0.00 C ATOM 312 OD1 ASN A 23 -10.673 1.960 -10.542 1.00 0.00 O flip ATOM 313 ND2 ASN A 23 -11.657 0.044 -9.911 1.00 0.00 N flip ATOM 0 H ASN A 23 -9.174 0.084 -7.474 1.00 0.00 H new ATOM 0 HA ASN A 23 -9.140 -1.490 -9.055 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -8.721 0.575 -11.213 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -9.602 -0.937 -11.295 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -11.613 -0.965 -9.767 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -12.517 0.552 -9.703 1.00 0.00 H new ATOM 319 N ASP A 24 -6.254 -0.333 -8.911 1.00 0.00 N ATOM 320 CA ASP A 24 -4.833 -0.600 -9.120 1.00 0.00 C ATOM 321 C ASP A 24 -4.558 -2.001 -8.634 1.00 0.00 C ATOM 322 O ASP A 24 -5.016 -2.421 -7.573 1.00 0.00 O ATOM 323 CB ASP A 24 -3.938 0.447 -8.397 1.00 0.00 C ATOM 324 CG ASP A 24 -2.789 -0.138 -7.571 1.00 0.00 C ATOM 325 OD1 ASP A 24 -3.055 -0.992 -6.699 1.00 0.00 O ATOM 326 OD2 ASP A 24 -1.631 0.274 -7.787 1.00 0.00 O ATOM 0 H ASP A 24 -6.460 0.292 -8.132 1.00 0.00 H new ATOM 0 HA ASP A 24 -4.588 -0.517 -10.179 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -3.520 1.122 -9.144 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -4.567 1.048 -7.740 1.00 0.00 H new ATOM 330 N LYS A 25 -3.796 -2.711 -9.437 1.00 0.00 N ATOM 331 CA LYS A 25 -3.442 -4.054 -9.119 1.00 0.00 C ATOM 332 C LYS A 25 -2.144 -4.059 -8.295 1.00 0.00 C ATOM 333 O LYS A 25 -1.206 -3.319 -8.584 1.00 0.00 O ATOM 334 CB LYS A 25 -3.297 -4.823 -10.434 1.00 0.00 C ATOM 335 CG LYS A 25 -2.451 -6.055 -10.369 1.00 0.00 C ATOM 336 CD LYS A 25 -3.298 -7.309 -10.288 1.00 0.00 C ATOM 337 CE LYS A 25 -2.500 -8.448 -9.712 1.00 0.00 C ATOM 338 NZ LYS A 25 -3.221 -9.747 -9.805 1.00 0.00 N ATOM 0 H LYS A 25 -3.413 -2.367 -10.318 1.00 0.00 H new ATOM 0 HA LYS A 25 -4.208 -4.538 -8.513 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -4.291 -5.104 -10.782 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -2.875 -4.152 -11.182 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -1.810 -6.104 -11.249 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -1.795 -6.001 -9.500 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -4.176 -7.123 -9.669 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -3.659 -7.576 -11.281 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -1.549 -8.525 -10.238 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -2.271 -8.236 -8.668 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -2.542 -10.529 -9.706 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -3.930 -9.806 -9.046 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -3.695 -9.816 -10.728 1.00 0.00 H new ATOM 348 N ILE A 26 -2.102 -4.902 -7.275 1.00 0.00 N ATOM 349 CA ILE A 26 -0.924 -5.034 -6.420 1.00 0.00 C ATOM 350 C ILE A 26 -0.542 -6.509 -6.342 1.00 0.00 C ATOM 351 O ILE A 26 -1.402 -7.374 -6.214 1.00 0.00 O ATOM 352 CB ILE A 26 -1.219 -4.506 -4.999 1.00 0.00 C ATOM 353 CG1 ILE A 26 -1.631 -3.033 -5.047 1.00 0.00 C ATOM 354 CG2 ILE A 26 -0.008 -4.691 -4.097 1.00 0.00 C ATOM 355 CD1 ILE A 26 -2.672 -2.662 -4.013 1.00 0.00 C ATOM 0 H ILE A 26 -2.877 -5.512 -7.014 1.00 0.00 H new ATOM 0 HA ILE A 26 -0.107 -4.449 -6.843 1.00 0.00 H new ATOM 0 HB ILE A 26 -2.047 -5.082 -4.585 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -0.747 -2.412 -4.900 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -2.019 -2.805 -6.040 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -0.236 -4.313 -3.100 1.00 0.00 H new ATOM 0 HG22 ILE A 26 0.241 -5.750 -4.035 1.00 0.00 H new ATOM 0 HG23 ILE A 26 0.839 -4.142 -4.508 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -2.916 -1.604 -4.106 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -3.571 -3.257 -4.172 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -2.280 -2.858 -3.015 1.00 0.00 H new ATOM 366 N ILE A 27 0.755 -6.777 -6.411 1.00 0.00 N ATOM 367 CA ILE A 27 1.248 -8.151 -6.409 1.00 0.00 C ATOM 368 C ILE A 27 2.505 -8.300 -5.571 1.00 0.00 C ATOM 369 O ILE A 27 3.106 -7.318 -5.132 1.00 0.00 O ATOM 370 CB ILE A 27 1.479 -8.641 -7.853 1.00 0.00 C ATOM 371 CG1 ILE A 27 2.410 -7.706 -8.622 1.00 0.00 C ATOM 372 CG2 ILE A 27 0.155 -8.777 -8.580 1.00 0.00 C ATOM 373 CD1 ILE A 27 3.211 -8.417 -9.687 1.00 0.00 C ATOM 0 H ILE A 27 1.484 -6.066 -6.469 1.00 0.00 H new ATOM 0 HA ILE A 27 0.484 -8.778 -5.949 1.00 0.00 H new ATOM 0 HB ILE A 27 1.959 -9.618 -7.799 1.00 0.00 H new ATOM 0 HG12 ILE A 27 1.820 -6.915 -9.086 1.00 0.00 H new ATOM 0 HG13 ILE A 27 3.093 -7.225 -7.922 1.00 0.00 H new ATOM 0 HG21 ILE A 27 0.333 -9.124 -9.598 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -0.475 -9.496 -8.057 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -0.346 -7.809 -8.608 1.00 0.00 H new ATOM 0 HD11 ILE A 27 3.853 -7.700 -10.198 1.00 0.00 H new ATOM 0 HD12 ILE A 27 3.825 -9.190 -9.225 1.00 0.00 H new ATOM 0 HD13 ILE A 27 2.533 -8.875 -10.407 1.00 0.00 H new ATOM 384 N ASN A 28 2.888 -9.552 -5.363 1.00 0.00 N ATOM 385 CA ASN A 28 4.031 -9.887 -4.549 1.00 0.00 C ATOM 386 C ASN A 28 3.822 -9.328 -3.170 1.00 0.00 C ATOM 387 O ASN A 28 4.720 -8.757 -2.552 1.00 0.00 O ATOM 388 CB ASN A 28 5.354 -9.399 -5.134 1.00 0.00 C ATOM 389 CG ASN A 28 5.562 -9.853 -6.557 1.00 0.00 C ATOM 390 OD1 ASN A 28 4.873 -9.200 -7.475 1.00 0.00 O flip ATOM 391 ND2 ASN A 28 6.332 -10.775 -6.827 1.00 0.00 N flip ATOM 0 H ASN A 28 2.409 -10.361 -5.758 1.00 0.00 H new ATOM 0 HA ASN A 28 4.107 -10.974 -4.514 1.00 0.00 H new ATOM 0 HB2 ASN A 28 5.384 -8.310 -5.096 1.00 0.00 H new ATOM 0 HB3 ASN A 28 6.176 -9.762 -4.517 1.00 0.00 H new ATOM 0 HD21 ASN A 28 6.842 -11.248 -6.081 1.00 0.00 H new ATOM 0 HD22 ASN A 28 6.460 -11.065 -7.796 1.00 0.00 H new ATOM 397 N ILE A 29 2.599 -9.511 -2.705 1.00 0.00 N ATOM 398 CA ILE A 29 2.201 -9.017 -1.416 1.00 0.00 C ATOM 399 C ILE A 29 2.843 -9.854 -0.329 1.00 0.00 C ATOM 400 O ILE A 29 3.009 -11.056 -0.469 1.00 0.00 O ATOM 401 CB ILE A 29 0.660 -9.018 -1.256 1.00 0.00 C ATOM 402 CG1 ILE A 29 0.026 -8.021 -2.231 1.00 0.00 C ATOM 403 CG2 ILE A 29 0.258 -8.684 0.177 1.00 0.00 C ATOM 404 CD1 ILE A 29 -1.476 -7.889 -2.078 1.00 0.00 C ATOM 0 H ILE A 29 1.864 -10.004 -3.213 1.00 0.00 H new ATOM 0 HA ILE A 29 2.539 -7.984 -1.328 1.00 0.00 H new ATOM 0 HB ILE A 29 0.295 -10.019 -1.486 1.00 0.00 H new ATOM 0 HG12 ILE A 29 0.484 -7.043 -2.085 1.00 0.00 H new ATOM 0 HG13 ILE A 29 0.252 -8.330 -3.251 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -0.829 -8.692 0.261 1.00 0.00 H new ATOM 0 HG22 ILE A 29 0.680 -9.426 0.855 1.00 0.00 H new ATOM 0 HG23 ILE A 29 0.635 -7.696 0.440 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -1.853 -7.166 -2.801 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -1.946 -8.857 -2.253 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -1.710 -7.549 -1.069 1.00 0.00 H new ATOM 415 N GLU A 30 3.199 -9.210 0.754 1.00 0.00 N ATOM 416 CA GLU A 30 3.771 -9.954 1.866 1.00 0.00 C ATOM 417 C GLU A 30 3.226 -9.471 3.192 1.00 0.00 C ATOM 418 O GLU A 30 2.689 -8.383 3.313 1.00 0.00 O ATOM 419 CB GLU A 30 5.300 -9.936 1.827 1.00 0.00 C ATOM 420 CG GLU A 30 5.875 -10.063 0.422 1.00 0.00 C ATOM 421 CD GLU A 30 7.162 -10.863 0.392 1.00 0.00 C ATOM 422 OE1 GLU A 30 7.278 -11.830 1.175 1.00 0.00 O ATOM 423 OE2 GLU A 30 8.054 -10.526 -0.414 1.00 0.00 O ATOM 0 H GLU A 30 3.110 -8.204 0.896 1.00 0.00 H new ATOM 0 HA GLU A 30 3.467 -10.995 1.759 1.00 0.00 H new ATOM 0 HB2 GLU A 30 5.656 -9.008 2.274 1.00 0.00 H new ATOM 0 HB3 GLU A 30 5.681 -10.752 2.442 1.00 0.00 H new ATOM 0 HG2 GLU A 30 5.140 -10.539 -0.226 1.00 0.00 H new ATOM 0 HG3 GLU A 30 6.060 -9.068 0.017 1.00 0.00 H new ATOM 428 N PHE A 31 3.456 -10.295 4.200 1.00 0.00 N ATOM 429 CA PHE A 31 2.955 -9.964 5.522 1.00 0.00 C ATOM 430 C PHE A 31 4.029 -9.412 6.439 1.00 0.00 C ATOM 431 O PHE A 31 4.279 -9.928 7.528 1.00 0.00 O ATOM 432 CB PHE A 31 2.251 -11.181 6.112 1.00 0.00 C ATOM 433 CG PHE A 31 1.159 -11.679 5.202 1.00 0.00 C ATOM 434 CD1 PHE A 31 0.288 -10.779 4.599 1.00 0.00 C ATOM 435 CD2 PHE A 31 1.013 -13.029 4.926 1.00 0.00 C ATOM 436 CE1 PHE A 31 -0.704 -11.218 3.743 1.00 0.00 C ATOM 437 CE2 PHE A 31 0.022 -13.473 4.065 1.00 0.00 C ATOM 438 CZ PHE A 31 -0.838 -12.564 3.474 1.00 0.00 C ATOM 0 H PHE A 31 3.971 -11.173 4.134 1.00 0.00 H new ATOM 0 HA PHE A 31 2.232 -9.155 5.423 1.00 0.00 H new ATOM 0 HB2 PHE A 31 2.977 -11.977 6.281 1.00 0.00 H new ATOM 0 HB3 PHE A 31 1.828 -10.923 7.083 1.00 0.00 H new ATOM 0 HD1 PHE A 31 0.388 -9.723 4.802 1.00 0.00 H new ATOM 0 HD2 PHE A 31 1.679 -13.743 5.387 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -1.375 -10.507 3.284 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -0.079 -14.528 3.855 1.00 0.00 H new ATOM 0 HZ PHE A 31 -1.612 -12.908 2.804 1.00 0.00 H new ATOM 447 N VAL A 32 4.655 -8.348 5.966 1.00 0.00 N ATOM 448 CA VAL A 32 5.672 -7.641 6.716 1.00 0.00 C ATOM 449 C VAL A 32 5.084 -7.182 8.046 1.00 0.00 C ATOM 450 O VAL A 32 5.746 -7.249 9.081 1.00 0.00 O ATOM 451 CB VAL A 32 6.131 -6.404 5.913 1.00 0.00 C ATOM 452 CG1 VAL A 32 6.902 -6.829 4.676 1.00 0.00 C ATOM 453 CG2 VAL A 32 4.923 -5.558 5.528 1.00 0.00 C ATOM 0 H VAL A 32 4.469 -7.950 5.045 1.00 0.00 H new ATOM 0 HA VAL A 32 6.522 -8.300 6.894 1.00 0.00 H new ATOM 0 HB VAL A 32 6.794 -5.805 6.537 1.00 0.00 H new ATOM 0 HG11 VAL A 32 7.218 -5.945 4.122 1.00 0.00 H new ATOM 0 HG12 VAL A 32 7.779 -7.403 4.974 1.00 0.00 H new ATOM 0 HG13 VAL A 32 6.263 -7.445 4.043 1.00 0.00 H new ATOM 0 HG21 VAL A 32 5.254 -4.687 4.962 1.00 0.00 H new ATOM 0 HG22 VAL A 32 4.243 -6.151 4.916 1.00 0.00 H new ATOM 0 HG23 VAL A 32 4.407 -5.229 6.430 1.00 0.00 H new ATOM 463 N ASP A 33 3.843 -6.719 8.018 1.00 0.00 N ATOM 464 CA ASP A 33 3.147 -6.298 9.222 1.00 0.00 C ATOM 465 C ASP A 33 1.719 -6.832 9.188 1.00 0.00 C ATOM 466 O ASP A 33 1.185 -7.108 8.114 1.00 0.00 O ATOM 467 CB ASP A 33 3.167 -4.780 9.351 1.00 0.00 C ATOM 468 CG ASP A 33 4.577 -4.253 9.473 1.00 0.00 C ATOM 469 OD1 ASP A 33 5.253 -4.135 8.430 1.00 0.00 O ATOM 470 OD2 ASP A 33 5.010 -3.971 10.610 1.00 0.00 O ATOM 0 H ASP A 33 3.293 -6.625 7.164 1.00 0.00 H new ATOM 0 HA ASP A 33 3.654 -6.705 10.097 1.00 0.00 H new ATOM 0 HB2 ASP A 33 2.685 -4.334 8.481 1.00 0.00 H new ATOM 0 HB3 ASP A 33 2.589 -4.480 10.225 1.00 0.00 H new ATOM 474 N ASP A 34 1.097 -6.980 10.352 1.00 0.00 N ATOM 475 CA ASP A 34 -0.282 -7.451 10.409 1.00 0.00 C ATOM 476 C ASP A 34 -1.180 -6.489 9.635 1.00 0.00 C ATOM 477 O ASP A 34 -1.992 -6.891 8.802 1.00 0.00 O ATOM 478 CB ASP A 34 -0.753 -7.552 11.861 1.00 0.00 C ATOM 479 CG ASP A 34 -0.672 -8.969 12.395 1.00 0.00 C ATOM 480 OD1 ASP A 34 0.244 -9.709 11.980 1.00 0.00 O ATOM 481 OD2 ASP A 34 -1.526 -9.338 13.229 1.00 0.00 O ATOM 0 H ASP A 34 1.519 -6.783 11.259 1.00 0.00 H new ATOM 0 HA ASP A 34 -0.337 -8.442 9.959 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -0.145 -6.896 12.484 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -1.781 -7.197 11.933 1.00 0.00 H new ATOM 485 N ASP A 35 -1.003 -5.208 9.940 1.00 0.00 N ATOM 486 CA ASP A 35 -1.835 -4.144 9.383 1.00 0.00 C ATOM 487 C ASP A 35 -1.351 -3.562 8.056 1.00 0.00 C ATOM 488 O ASP A 35 -2.169 -3.244 7.193 1.00 0.00 O ATOM 489 CB ASP A 35 -1.949 -3.012 10.405 1.00 0.00 C ATOM 490 CG ASP A 35 -0.601 -2.601 10.965 1.00 0.00 C ATOM 491 OD1 ASP A 35 0.428 -3.092 10.456 1.00 0.00 O ATOM 492 OD2 ASP A 35 -0.575 -1.789 11.914 1.00 0.00 O ATOM 0 H ASP A 35 -0.280 -4.877 10.579 1.00 0.00 H new ATOM 0 HA ASP A 35 -2.797 -4.610 9.169 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -2.423 -2.150 9.936 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -2.598 -3.328 11.222 1.00 0.00 H new ATOM 496 N TRP A 36 -0.043 -3.415 7.876 1.00 0.00 N ATOM 497 CA TRP A 36 0.463 -2.939 6.585 1.00 0.00 C ATOM 498 C TRP A 36 1.257 -4.029 5.910 1.00 0.00 C ATOM 499 O TRP A 36 2.311 -4.418 6.404 1.00 0.00 O ATOM 500 CB TRP A 36 1.351 -1.707 6.742 1.00 0.00 C ATOM 501 CG TRP A 36 0.593 -0.504 7.161 1.00 0.00 C ATOM 502 CD1 TRP A 36 -0.034 -0.350 8.339 1.00 0.00 C ATOM 503 CD2 TRP A 36 0.361 0.696 6.413 1.00 0.00 C ATOM 504 NE1 TRP A 36 -0.629 0.877 8.406 1.00 0.00 N ATOM 505 CE2 TRP A 36 -0.408 1.540 7.231 1.00 0.00 C ATOM 506 CE3 TRP A 36 0.731 1.142 5.142 1.00 0.00 C ATOM 507 CZ2 TRP A 36 -0.819 2.802 6.823 1.00 0.00 C ATOM 508 CZ3 TRP A 36 0.322 2.398 4.730 1.00 0.00 C ATOM 509 CH2 TRP A 36 -0.447 3.214 5.573 1.00 0.00 C ATOM 0 H TRP A 36 0.669 -3.610 8.579 1.00 0.00 H new ATOM 0 HA TRP A 36 -0.401 -2.667 5.978 1.00 0.00 H new ATOM 0 HB2 TRP A 36 2.128 -1.916 7.477 1.00 0.00 H new ATOM 0 HB3 TRP A 36 1.853 -1.504 5.796 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -0.063 -1.092 9.123 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -1.153 1.240 9.203 1.00 0.00 H new ATOM 0 HE3 TRP A 36 1.326 0.517 4.492 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -1.410 3.435 7.469 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 0.598 2.754 3.748 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -0.752 4.190 5.227 1.00 0.00 H new ATOM 519 N TRP A 37 0.800 -4.530 4.774 1.00 0.00 N ATOM 520 CA TRP A 37 1.502 -5.554 4.045 1.00 0.00 C ATOM 521 C TRP A 37 2.369 -4.860 3.029 1.00 0.00 C ATOM 522 O TRP A 37 2.214 -3.662 2.800 1.00 0.00 O ATOM 523 CB TRP A 37 0.498 -6.484 3.357 1.00 0.00 C ATOM 524 CG TRP A 37 -0.593 -7.011 4.225 1.00 0.00 C ATOM 525 CD1 TRP A 37 -0.509 -7.431 5.520 1.00 0.00 C ATOM 526 CD2 TRP A 37 -1.948 -7.189 3.827 1.00 0.00 C ATOM 527 NE1 TRP A 37 -1.744 -7.860 5.952 1.00 0.00 N ATOM 528 CE2 TRP A 37 -2.644 -7.719 4.925 1.00 0.00 C ATOM 529 CE3 TRP A 37 -2.637 -6.945 2.637 1.00 0.00 C ATOM 530 CZ2 TRP A 37 -4.004 -8.012 4.867 1.00 0.00 C ATOM 531 CZ3 TRP A 37 -3.983 -7.232 2.580 1.00 0.00 C ATOM 532 CH2 TRP A 37 -4.657 -7.761 3.688 1.00 0.00 C ATOM 0 H TRP A 37 -0.072 -4.232 4.337 1.00 0.00 H new ATOM 0 HA TRP A 37 2.113 -6.163 4.711 1.00 0.00 H new ATOM 0 HB2 TRP A 37 0.047 -5.948 2.522 1.00 0.00 H new ATOM 0 HB3 TRP A 37 1.043 -7.329 2.936 1.00 0.00 H new ATOM 0 HD1 TRP A 37 0.391 -7.428 6.117 1.00 0.00 H new ATOM 0 HE1 TRP A 37 -1.955 -8.223 6.882 1.00 0.00 H new ATOM 0 HE3 TRP A 37 -2.124 -6.539 1.778 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 -4.525 -8.422 5.719 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 -4.528 -7.046 1.666 1.00 0.00 H new ATOM 0 HH2 TRP A 37 -5.713 -7.976 3.612 1.00 0.00 H new ATOM 542 N LEU A 38 3.274 -5.584 2.412 1.00 0.00 N ATOM 543 CA LEU A 38 4.141 -4.989 1.438 1.00 0.00 C ATOM 544 C LEU A 38 3.713 -5.423 0.060 1.00 0.00 C ATOM 545 O LEU A 38 3.110 -6.473 -0.105 1.00 0.00 O ATOM 546 CB LEU A 38 5.599 -5.365 1.762 1.00 0.00 C ATOM 547 CG LEU A 38 6.291 -6.317 0.774 1.00 0.00 C ATOM 548 CD1 LEU A 38 6.550 -5.596 -0.538 1.00 0.00 C ATOM 549 CD2 LEU A 38 7.587 -6.853 1.363 1.00 0.00 C ATOM 0 H LEU A 38 3.424 -6.580 2.570 1.00 0.00 H new ATOM 0 HA LEU A 38 4.075 -3.901 1.466 1.00 0.00 H new ATOM 0 HB2 LEU A 38 6.184 -4.447 1.820 1.00 0.00 H new ATOM 0 HB3 LEU A 38 5.623 -5.822 2.751 1.00 0.00 H new ATOM 0 HG LEU A 38 5.636 -7.167 0.583 1.00 0.00 H new ATOM 0 HD11 LEU A 38 7.041 -6.275 -1.235 1.00 0.00 H new ATOM 0 HD12 LEU A 38 5.603 -5.262 -0.962 1.00 0.00 H new ATOM 0 HD13 LEU A 38 7.192 -4.734 -0.359 1.00 0.00 H new ATOM 0 HD21 LEU A 38 8.061 -7.525 0.648 1.00 0.00 H new ATOM 0 HD22 LEU A 38 8.258 -6.023 1.581 1.00 0.00 H new ATOM 0 HD23 LEU A 38 7.371 -7.396 2.283 1.00 0.00 H new ATOM 560 N GLY A 39 4.017 -4.591 -0.913 1.00 0.00 N ATOM 561 CA GLY A 39 3.589 -4.945 -2.243 1.00 0.00 C ATOM 562 C GLY A 39 4.609 -4.844 -3.347 1.00 0.00 C ATOM 563 O GLY A 39 5.815 -4.705 -3.141 1.00 0.00 O ATOM 0 H GLY A 39 4.529 -3.714 -0.818 1.00 0.00 H new ATOM 0 HA2 GLY A 39 3.221 -5.971 -2.217 1.00 0.00 H new ATOM 0 HA3 GLY A 39 2.744 -4.309 -2.506 1.00 0.00 H new ATOM 567 N GLU A 40 4.035 -4.929 -4.534 1.00 0.00 N ATOM 568 CA GLU A 40 4.709 -4.811 -5.809 1.00 0.00 C ATOM 569 C GLU A 40 3.587 -4.577 -6.813 1.00 0.00 C ATOM 570 O GLU A 40 2.736 -5.434 -6.956 1.00 0.00 O ATOM 571 CB GLU A 40 5.513 -6.059 -6.133 1.00 0.00 C ATOM 572 CG GLU A 40 6.766 -5.755 -6.926 1.00 0.00 C ATOM 573 CD GLU A 40 7.857 -6.789 -6.721 1.00 0.00 C ATOM 574 OE1 GLU A 40 8.638 -6.642 -5.756 1.00 0.00 O ATOM 575 OE2 GLU A 40 7.931 -7.742 -7.523 1.00 0.00 O ATOM 0 H GLU A 40 3.033 -5.091 -4.637 1.00 0.00 H new ATOM 0 HA GLU A 40 5.437 -4.000 -5.819 1.00 0.00 H new ATOM 0 HB2 GLU A 40 5.788 -6.561 -5.205 1.00 0.00 H new ATOM 0 HB3 GLU A 40 4.889 -6.752 -6.698 1.00 0.00 H new ATOM 0 HG2 GLU A 40 6.516 -5.703 -7.986 1.00 0.00 H new ATOM 0 HG3 GLU A 40 7.143 -4.774 -6.639 1.00 0.00 H new ATOM 580 N LEU A 41 3.550 -3.458 -7.504 1.00 0.00 N ATOM 581 CA LEU A 41 2.432 -3.250 -8.425 1.00 0.00 C ATOM 582 C LEU A 41 2.631 -3.992 -9.735 1.00 0.00 C ATOM 583 O LEU A 41 3.647 -3.854 -10.387 1.00 0.00 O ATOM 584 CB LEU A 41 2.148 -1.764 -8.676 1.00 0.00 C ATOM 585 CG LEU A 41 1.770 -0.950 -7.436 1.00 0.00 C ATOM 586 CD1 LEU A 41 1.691 0.532 -7.774 1.00 0.00 C ATOM 587 CD2 LEU A 41 0.443 -1.432 -6.867 1.00 0.00 C ATOM 0 H LEU A 41 4.239 -2.707 -7.459 1.00 0.00 H new ATOM 0 HA LEU A 41 1.554 -3.669 -7.934 1.00 0.00 H new ATOM 0 HB2 LEU A 41 3.031 -1.314 -9.130 1.00 0.00 H new ATOM 0 HB3 LEU A 41 1.340 -1.684 -9.403 1.00 0.00 H new ATOM 0 HG LEU A 41 2.545 -1.093 -6.683 1.00 0.00 H new ATOM 0 HD11 LEU A 41 1.421 1.095 -6.881 1.00 0.00 H new ATOM 0 HD12 LEU A 41 2.659 0.874 -8.140 1.00 0.00 H new ATOM 0 HD13 LEU A 41 0.936 0.690 -8.544 1.00 0.00 H new ATOM 0 HD21 LEU A 41 0.189 -0.843 -5.986 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -0.338 -1.317 -7.618 1.00 0.00 H new ATOM 0 HD23 LEU A 41 0.526 -2.483 -6.589 1.00 0.00 H new ATOM 598 N GLU A 42 1.689 -4.843 -10.091 1.00 0.00 N ATOM 599 CA GLU A 42 1.808 -5.583 -11.332 1.00 0.00 C ATOM 600 C GLU A 42 1.879 -4.615 -12.517 1.00 0.00 C ATOM 601 O GLU A 42 2.586 -4.868 -13.493 1.00 0.00 O ATOM 602 CB GLU A 42 0.644 -6.588 -11.468 1.00 0.00 C ATOM 603 CG GLU A 42 -0.077 -6.597 -12.815 1.00 0.00 C ATOM 604 CD GLU A 42 0.804 -7.089 -13.947 1.00 0.00 C ATOM 605 OE1 GLU A 42 1.728 -7.885 -13.676 1.00 0.00 O ATOM 606 OE2 GLU A 42 0.571 -6.677 -15.103 1.00 0.00 O ATOM 0 H GLU A 42 0.847 -5.037 -9.550 1.00 0.00 H new ATOM 0 HA GLU A 42 2.733 -6.159 -11.325 1.00 0.00 H new ATOM 0 HB2 GLU A 42 1.030 -7.589 -11.278 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -0.087 -6.375 -10.688 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -0.960 -7.232 -12.745 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -0.425 -5.590 -13.043 1.00 0.00 H new ATOM 611 N LYS A 43 1.144 -3.505 -12.425 1.00 0.00 N ATOM 612 CA LYS A 43 1.113 -2.539 -13.513 1.00 0.00 C ATOM 613 C LYS A 43 2.443 -1.786 -13.669 1.00 0.00 C ATOM 614 O LYS A 43 2.912 -1.598 -14.792 1.00 0.00 O ATOM 615 CB LYS A 43 -0.089 -1.581 -13.376 1.00 0.00 C ATOM 616 CG LYS A 43 0.230 -0.203 -12.801 1.00 0.00 C ATOM 617 CD LYS A 43 -0.908 0.315 -11.939 1.00 0.00 C ATOM 618 CE LYS A 43 -0.719 -0.083 -10.492 1.00 0.00 C ATOM 619 NZ LYS A 43 -1.258 -1.441 -10.228 1.00 0.00 N ATOM 0 H LYS A 43 0.571 -3.259 -11.618 1.00 0.00 H new ATOM 0 HA LYS A 43 0.977 -3.101 -14.437 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -0.540 -1.449 -14.359 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -0.839 -2.055 -12.742 1.00 0.00 H new ATOM 0 HG2 LYS A 43 1.143 -0.257 -12.207 1.00 0.00 H new ATOM 0 HG3 LYS A 43 0.420 0.497 -13.614 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -0.962 1.401 -12.017 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -1.856 -0.079 -12.307 1.00 0.00 H new ATOM 0 HE2 LYS A 43 0.341 -0.056 -10.241 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -1.218 0.640 -9.846 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -1.570 -1.504 -9.238 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -2.066 -1.622 -10.858 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -0.517 -2.149 -10.403 1.00 0.00 H new ATOM 629 N ASP A 44 3.058 -1.351 -12.566 1.00 0.00 N ATOM 630 CA ASP A 44 4.319 -0.586 -12.666 1.00 0.00 C ATOM 631 C ASP A 44 5.482 -1.195 -11.878 1.00 0.00 C ATOM 632 O ASP A 44 6.629 -0.778 -12.032 1.00 0.00 O ATOM 633 CB ASP A 44 4.119 0.861 -12.212 1.00 0.00 C ATOM 634 CG ASP A 44 5.269 1.758 -12.622 1.00 0.00 C ATOM 635 OD1 ASP A 44 5.215 2.321 -13.735 1.00 0.00 O ATOM 636 OD2 ASP A 44 6.224 1.900 -11.828 1.00 0.00 O ATOM 0 H ASP A 44 2.721 -1.506 -11.616 1.00 0.00 H new ATOM 0 HA ASP A 44 4.588 -0.623 -13.722 1.00 0.00 H new ATOM 0 HB2 ASP A 44 3.192 1.247 -12.635 1.00 0.00 H new ATOM 0 HB3 ASP A 44 4.010 0.887 -11.128 1.00 0.00 H new ATOM 640 N GLY A 45 5.185 -2.170 -11.044 1.00 0.00 N ATOM 641 CA GLY A 45 6.230 -2.805 -10.249 1.00 0.00 C ATOM 642 C GLY A 45 6.654 -2.013 -9.022 1.00 0.00 C ATOM 643 O GLY A 45 7.802 -2.115 -8.590 1.00 0.00 O ATOM 0 H GLY A 45 4.246 -2.540 -10.896 1.00 0.00 H new ATOM 0 HA2 GLY A 45 5.881 -3.787 -9.930 1.00 0.00 H new ATOM 0 HA3 GLY A 45 7.103 -2.967 -10.881 1.00 0.00 H new ATOM 647 N SER A 46 5.748 -1.226 -8.453 1.00 0.00 N ATOM 648 CA SER A 46 6.082 -0.439 -7.267 1.00 0.00 C ATOM 649 C SER A 46 5.848 -1.248 -5.998 1.00 0.00 C ATOM 650 O SER A 46 4.828 -1.918 -5.861 1.00 0.00 O ATOM 651 CB SER A 46 5.249 0.844 -7.227 1.00 0.00 C ATOM 652 OG SER A 46 5.929 1.873 -6.529 1.00 0.00 O ATOM 0 H SER A 46 4.790 -1.115 -8.786 1.00 0.00 H new ATOM 0 HA SER A 46 7.138 -0.176 -7.322 1.00 0.00 H new ATOM 0 HB2 SER A 46 5.032 1.172 -8.244 1.00 0.00 H new ATOM 0 HB3 SER A 46 4.292 0.645 -6.745 1.00 0.00 H new ATOM 0 HG SER A 46 5.376 2.682 -6.519 1.00 0.00 H new ATOM 657 N LYS A 47 6.780 -1.133 -5.048 1.00 0.00 N ATOM 658 CA LYS A 47 6.683 -1.861 -3.783 1.00 0.00 C ATOM 659 C LYS A 47 6.634 -0.904 -2.605 1.00 0.00 C ATOM 660 O LYS A 47 7.255 0.158 -2.627 1.00 0.00 O ATOM 661 CB LYS A 47 7.867 -2.807 -3.579 1.00 0.00 C ATOM 662 CG LYS A 47 8.248 -3.585 -4.827 1.00 0.00 C ATOM 663 CD LYS A 47 9.755 -3.744 -4.946 1.00 0.00 C ATOM 664 CE LYS A 47 10.215 -3.620 -6.389 1.00 0.00 C ATOM 665 NZ LYS A 47 9.908 -2.277 -6.955 1.00 0.00 N ATOM 0 H LYS A 47 7.608 -0.544 -5.132 1.00 0.00 H new ATOM 0 HA LYS A 47 5.762 -2.441 -3.834 1.00 0.00 H new ATOM 0 HB2 LYS A 47 8.729 -2.230 -3.244 1.00 0.00 H new ATOM 0 HB3 LYS A 47 7.626 -3.511 -2.782 1.00 0.00 H new ATOM 0 HG2 LYS A 47 7.778 -4.568 -4.802 1.00 0.00 H new ATOM 0 HG3 LYS A 47 7.865 -3.071 -5.709 1.00 0.00 H new ATOM 0 HD2 LYS A 47 10.251 -2.987 -4.338 1.00 0.00 H new ATOM 0 HD3 LYS A 47 10.052 -4.715 -4.550 1.00 0.00 H new ATOM 0 HE2 LYS A 47 11.288 -3.801 -6.445 1.00 0.00 H new ATOM 0 HE3 LYS A 47 9.730 -4.388 -6.992 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 10.589 -2.054 -7.709 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 8.945 -2.278 -7.348 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 9.975 -1.560 -6.204 1.00 0.00 H new ATOM 675 N GLY A 48 5.895 -1.286 -1.573 1.00 0.00 N ATOM 676 CA GLY A 48 5.795 -0.465 -0.383 1.00 0.00 C ATOM 677 C GLY A 48 4.720 -0.948 0.566 1.00 0.00 C ATOM 678 O GLY A 48 3.807 -1.668 0.163 1.00 0.00 O ATOM 0 H GLY A 48 5.360 -2.154 -1.539 1.00 0.00 H new ATOM 0 HA2 GLY A 48 6.755 -0.460 0.133 1.00 0.00 H new ATOM 0 HA3 GLY A 48 5.584 0.564 -0.672 1.00 0.00 H new ATOM 682 N LEU A 49 4.820 -0.557 1.831 1.00 0.00 N ATOM 683 CA LEU A 49 3.834 -0.979 2.809 1.00 0.00 C ATOM 684 C LEU A 49 2.550 -0.211 2.547 1.00 0.00 C ATOM 685 O LEU A 49 2.591 0.971 2.226 1.00 0.00 O ATOM 686 CB LEU A 49 4.323 -0.734 4.244 1.00 0.00 C ATOM 687 CG LEU A 49 5.635 -1.421 4.638 1.00 0.00 C ATOM 688 CD1 LEU A 49 5.716 -2.814 4.042 1.00 0.00 C ATOM 689 CD2 LEU A 49 6.832 -0.583 4.215 1.00 0.00 C ATOM 0 H LEU A 49 5.561 0.041 2.196 1.00 0.00 H new ATOM 0 HA LEU A 49 3.663 -2.051 2.710 1.00 0.00 H new ATOM 0 HB2 LEU A 49 4.442 0.340 4.387 1.00 0.00 H new ATOM 0 HB3 LEU A 49 3.544 -1.062 4.932 1.00 0.00 H new ATOM 0 HG LEU A 49 5.654 -1.516 5.724 1.00 0.00 H new ATOM 0 HD11 LEU A 49 6.656 -3.281 4.336 1.00 0.00 H new ATOM 0 HD12 LEU A 49 4.883 -3.415 4.406 1.00 0.00 H new ATOM 0 HD13 LEU A 49 5.668 -2.748 2.955 1.00 0.00 H new ATOM 0 HD21 LEU A 49 7.752 -1.090 4.505 1.00 0.00 H new ATOM 0 HD22 LEU A 49 6.818 -0.448 3.134 1.00 0.00 H new ATOM 0 HD23 LEU A 49 6.785 0.391 4.703 1.00 0.00 H new ATOM 700 N PHE A 50 1.407 -0.861 2.680 1.00 0.00 N ATOM 701 CA PHE A 50 0.124 -0.234 2.409 1.00 0.00 C ATOM 702 C PHE A 50 -0.867 -0.617 3.475 1.00 0.00 C ATOM 703 O PHE A 50 -0.737 -1.687 4.069 1.00 0.00 O ATOM 704 CB PHE A 50 -0.386 -0.673 1.029 1.00 0.00 C ATOM 705 CG PHE A 50 -0.473 -2.177 0.836 1.00 0.00 C ATOM 706 CD1 PHE A 50 -1.636 -2.860 1.166 1.00 0.00 C ATOM 707 CD2 PHE A 50 0.596 -2.906 0.314 1.00 0.00 C ATOM 708 CE1 PHE A 50 -1.733 -4.229 0.982 1.00 0.00 C ATOM 709 CE2 PHE A 50 0.496 -4.284 0.132 1.00 0.00 C ATOM 710 CZ PHE A 50 -0.669 -4.936 0.467 1.00 0.00 C ATOM 0 H PHE A 50 1.341 -1.834 2.978 1.00 0.00 H new ATOM 0 HA PHE A 50 0.244 0.849 2.414 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -1.374 -0.241 0.867 1.00 0.00 H new ATOM 0 HB3 PHE A 50 0.272 -0.259 0.265 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -2.476 -2.316 1.572 1.00 0.00 H new ATOM 0 HD2 PHE A 50 1.511 -2.397 0.048 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -2.646 -4.744 1.243 1.00 0.00 H new ATOM 0 HE2 PHE A 50 1.330 -4.839 -0.271 1.00 0.00 H new ATOM 0 HZ PHE A 50 -0.749 -6.004 0.326 1.00 0.00 H new ATOM 719 N PRO A 51 -1.882 0.215 3.757 1.00 0.00 N ATOM 720 CA PRO A 51 -2.817 -0.165 4.778 1.00 0.00 C ATOM 721 C PRO A 51 -3.827 -1.077 4.135 1.00 0.00 C ATOM 722 O PRO A 51 -4.702 -0.663 3.396 1.00 0.00 O ATOM 723 CB PRO A 51 -3.388 1.183 5.206 1.00 0.00 C ATOM 724 CG PRO A 51 -3.213 2.099 4.025 1.00 0.00 C ATOM 725 CD PRO A 51 -2.214 1.467 3.091 1.00 0.00 C ATOM 0 HA PRO A 51 -2.422 -0.708 5.637 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -4.440 1.093 5.478 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -2.864 1.569 6.081 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -4.165 2.253 3.517 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -2.864 3.079 4.351 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -2.639 1.297 2.102 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -1.335 2.097 2.956 1.00 0.00 H new ATOM 730 N SER A 52 -3.569 -2.335 4.383 1.00 0.00 N ATOM 731 CA SER A 52 -4.382 -3.412 3.821 1.00 0.00 C ATOM 732 C SER A 52 -5.887 -3.077 3.660 1.00 0.00 C ATOM 733 O SER A 52 -6.573 -3.671 2.828 1.00 0.00 O ATOM 734 CB SER A 52 -4.207 -4.687 4.655 1.00 0.00 C ATOM 735 OG SER A 52 -5.406 -5.442 4.705 1.00 0.00 O ATOM 0 H SER A 52 -2.800 -2.652 4.973 1.00 0.00 H new ATOM 0 HA SER A 52 -4.012 -3.561 2.807 1.00 0.00 H new ATOM 0 HB2 SER A 52 -3.410 -5.296 4.229 1.00 0.00 H new ATOM 0 HB3 SER A 52 -3.900 -4.422 5.667 1.00 0.00 H new ATOM 0 HG SER A 52 -5.190 -6.398 4.719 1.00 0.00 H new ATOM 740 N ASN A 53 -6.393 -2.121 4.467 1.00 0.00 N ATOM 741 CA ASN A 53 -7.797 -1.716 4.399 1.00 0.00 C ATOM 742 C ASN A 53 -8.082 -0.787 3.206 1.00 0.00 C ATOM 743 O ASN A 53 -9.236 -0.581 2.829 1.00 0.00 O ATOM 744 CB ASN A 53 -8.223 -1.045 5.709 1.00 0.00 C ATOM 745 CG ASN A 53 -7.701 0.374 5.841 1.00 0.00 C ATOM 746 OD1 ASN A 53 -6.734 0.757 5.183 1.00 0.00 O ATOM 747 ND2 ASN A 53 -8.344 1.163 6.695 1.00 0.00 N ATOM 0 H ASN A 53 -5.846 -1.622 5.168 1.00 0.00 H new ATOM 0 HA ASN A 53 -8.385 -2.622 4.250 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -9.311 -1.034 5.769 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -7.864 -1.639 6.549 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -8.040 2.128 6.825 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -9.141 0.804 7.220 1.00 0.00 H new ATOM 753 N TYR A 54 -7.016 -0.232 2.620 1.00 0.00 N ATOM 754 CA TYR A 54 -7.133 0.631 1.445 1.00 0.00 C ATOM 755 C TYR A 54 -7.157 -0.235 0.176 1.00 0.00 C ATOM 756 O TYR A 54 -7.334 0.269 -0.933 1.00 0.00 O ATOM 757 CB TYR A 54 -5.960 1.617 1.341 1.00 0.00 C ATOM 758 CG TYR A 54 -6.286 3.047 1.624 1.00 0.00 C ATOM 759 CD1 TYR A 54 -6.380 3.487 2.928 1.00 0.00 C ATOM 760 CD2 TYR A 54 -6.433 3.966 0.600 1.00 0.00 C ATOM 761 CE1 TYR A 54 -6.609 4.813 3.207 1.00 0.00 C ATOM 762 CE2 TYR A 54 -6.673 5.291 0.867 1.00 0.00 C ATOM 763 CZ TYR A 54 -6.756 5.715 2.171 1.00 0.00 C ATOM 764 OH TYR A 54 -6.964 7.046 2.439 1.00 0.00 O ATOM 0 H TYR A 54 -6.058 -0.368 2.944 1.00 0.00 H new ATOM 0 HA TYR A 54 -8.056 1.202 1.546 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -5.180 1.298 2.032 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -5.542 1.551 0.336 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -6.272 2.782 3.739 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -6.358 3.636 -0.425 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -6.674 5.148 4.232 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -6.796 5.995 0.057 1.00 0.00 H new ATOM 0 HH TYR A 54 -7.739 7.143 3.031 1.00 0.00 H new ATOM 773 N VAL A 55 -6.972 -1.556 0.363 1.00 0.00 N ATOM 774 CA VAL A 55 -6.915 -2.497 -0.746 1.00 0.00 C ATOM 775 C VAL A 55 -7.597 -3.822 -0.413 1.00 0.00 C ATOM 776 O VAL A 55 -7.716 -4.198 0.753 1.00 0.00 O ATOM 777 CB VAL A 55 -5.450 -2.841 -1.105 1.00 0.00 C ATOM 778 CG1 VAL A 55 -4.661 -1.577 -1.406 1.00 0.00 C ATOM 779 CG2 VAL A 55 -4.788 -3.645 0.010 1.00 0.00 C ATOM 0 H VAL A 55 -6.860 -1.986 1.281 1.00 0.00 H new ATOM 0 HA VAL A 55 -7.426 -2.006 -1.574 1.00 0.00 H new ATOM 0 HB VAL A 55 -5.457 -3.459 -2.003 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -3.633 -1.840 -1.656 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -5.117 -1.055 -2.247 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -4.666 -0.928 -0.531 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -3.759 -3.874 -0.268 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -4.794 -3.063 0.931 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -5.337 -4.574 0.164 1.00 0.00 H new ATOM 789 N SER A 56 -8.041 -4.516 -1.442 1.00 0.00 N ATOM 790 CA SER A 56 -8.669 -5.818 -1.286 1.00 0.00 C ATOM 791 C SER A 56 -7.730 -6.904 -1.807 1.00 0.00 C ATOM 792 O SER A 56 -7.203 -6.793 -2.913 1.00 0.00 O ATOM 793 CB SER A 56 -9.979 -5.846 -2.059 1.00 0.00 C ATOM 794 OG SER A 56 -10.865 -6.822 -1.541 1.00 0.00 O ATOM 0 H SER A 56 -7.978 -4.196 -2.409 1.00 0.00 H new ATOM 0 HA SER A 56 -8.874 -6.001 -0.231 1.00 0.00 H new ATOM 0 HB2 SER A 56 -10.451 -4.864 -2.014 1.00 0.00 H new ATOM 0 HB3 SER A 56 -9.779 -6.056 -3.110 1.00 0.00 H new ATOM 0 HG SER A 56 -11.698 -6.815 -2.057 1.00 0.00 H new ATOM 799 N LEU A 57 -7.539 -7.966 -1.022 1.00 0.00 N ATOM 800 CA LEU A 57 -6.646 -9.037 -1.452 1.00 0.00 C ATOM 801 C LEU A 57 -7.331 -9.929 -2.463 1.00 0.00 C ATOM 802 O LEU A 57 -8.446 -10.404 -2.245 1.00 0.00 O ATOM 803 CB LEU A 57 -6.159 -9.893 -0.281 1.00 0.00 C ATOM 804 CG LEU A 57 -5.266 -9.180 0.731 1.00 0.00 C ATOM 805 CD1 LEU A 57 -4.957 -10.085 1.919 1.00 0.00 C ATOM 806 CD2 LEU A 57 -3.975 -8.729 0.067 1.00 0.00 C ATOM 0 H LEU A 57 -7.977 -8.104 -0.112 1.00 0.00 H new ATOM 0 HA LEU A 57 -5.780 -8.555 -1.906 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -7.029 -10.288 0.244 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -5.614 -10.748 -0.681 1.00 0.00 H new ATOM 0 HG LEU A 57 -5.801 -8.304 1.099 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -4.319 -9.553 2.625 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -5.887 -10.368 2.412 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -4.444 -10.981 1.570 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -3.347 -8.222 0.799 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -3.446 -9.597 -0.326 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -4.206 -8.044 -0.749 1.00 0.00 H new ATOM 817 N GLY A 58 -6.651 -10.149 -3.569 1.00 0.00 N ATOM 818 CA GLY A 58 -7.197 -10.979 -4.617 1.00 0.00 C ATOM 819 C GLY A 58 -7.016 -12.465 -4.345 1.00 0.00 C ATOM 820 O GLY A 58 -7.320 -13.296 -5.201 1.00 0.00 O ATOM 0 H GLY A 58 -5.726 -9.767 -3.763 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -8.259 -10.762 -4.731 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -6.717 -10.726 -5.562 1.00 0.00 H new ATOM 824 N ASN A 59 -6.521 -12.803 -3.155 1.00 0.00 N ATOM 825 CA ASN A 59 -6.281 -14.194 -2.792 1.00 0.00 C ATOM 826 C ASN A 59 -7.180 -14.625 -1.638 1.00 0.00 C ATOM 827 O ASN A 59 -7.838 -15.660 -1.716 1.00 0.00 O ATOM 828 CB ASN A 59 -4.812 -14.389 -2.416 1.00 0.00 C ATOM 829 CG ASN A 59 -4.320 -13.327 -1.454 1.00 0.00 C ATOM 830 OD1 ASN A 59 -4.125 -12.117 -1.962 1.00 0.00 O flip ATOM 831 ND2 ASN A 59 -4.118 -13.590 -0.269 1.00 0.00 N flip ATOM 0 H ASN A 59 -6.279 -12.130 -2.427 1.00 0.00 H new ATOM 0 HA ASN A 59 -6.518 -14.817 -3.655 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -4.682 -15.373 -1.965 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -4.202 -14.369 -3.319 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -4.281 -14.535 0.079 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -3.787 -12.863 0.366 1.00 0.00 H new TER 837 ASN A 59 ATOM 838 N ALA B 7 -9.233 15.490 -0.150 1.00 0.00 N ATOM 839 CA ALA B 7 -8.882 15.145 -1.552 1.00 0.00 C ATOM 840 C ALA B 7 -9.119 13.662 -1.829 1.00 0.00 C ATOM 841 O ALA B 7 -8.408 12.822 -1.286 1.00 0.00 O ATOM 842 CB ALA B 7 -7.422 15.474 -1.828 1.00 0.00 C ATOM 0 HA ALA B 7 -9.523 15.735 -2.207 1.00 0.00 H new ATOM 0 HB1 ALA B 7 -7.179 15.216 -2.859 1.00 0.00 H new ATOM 0 HB2 ALA B 7 -7.253 16.539 -1.671 1.00 0.00 H new ATOM 0 HB3 ALA B 7 -6.786 14.903 -1.152 1.00 0.00 H new ATOM 850 N LYS B 6 -10.141 13.387 -2.668 1.00 0.00 N ATOM 851 CA LYS B 6 -10.568 12.015 -3.044 1.00 0.00 C ATOM 852 C LYS B 6 -12.043 11.788 -2.723 1.00 0.00 C ATOM 853 O LYS B 6 -12.849 11.427 -3.580 1.00 0.00 O ATOM 854 CB LYS B 6 -9.864 10.902 -2.272 1.00 0.00 C ATOM 855 CG LYS B 6 -10.101 9.555 -2.927 1.00 0.00 C ATOM 856 CD LYS B 6 -11.061 8.698 -2.128 1.00 0.00 C ATOM 857 CE LYS B 6 -11.169 7.302 -2.722 1.00 0.00 C ATOM 858 NZ LYS B 6 -11.623 7.336 -4.140 1.00 0.00 N ATOM 0 H LYS B 6 -10.701 14.116 -3.110 1.00 0.00 H new ATOM 0 HA LYS B 6 -10.329 11.965 -4.106 1.00 0.00 H new ATOM 0 HB2 LYS B 6 -8.794 11.106 -2.227 1.00 0.00 H new ATOM 0 HB3 LYS B 6 -10.228 10.880 -1.245 1.00 0.00 H new ATOM 0 HG2 LYS B 6 -10.498 9.705 -3.931 1.00 0.00 H new ATOM 0 HG3 LYS B 6 -9.151 9.032 -3.035 1.00 0.00 H new ATOM 0 HD2 LYS B 6 -10.721 8.632 -1.094 1.00 0.00 H new ATOM 0 HD3 LYS B 6 -12.045 9.167 -2.111 1.00 0.00 H new ATOM 0 HE2 LYS B 6 -10.200 6.806 -2.663 1.00 0.00 H new ATOM 0 HE3 LYS B 6 -11.867 6.709 -2.131 1.00 0.00 H new ATOM 0 HZ1 LYS B 6 -11.990 6.401 -4.410 1.00 0.00 H new ATOM 0 HZ2 LYS B 6 -12.374 8.047 -4.247 1.00 0.00 H new ATOM 0 HZ3 LYS B 6 -10.822 7.584 -4.755 1.00 0.00 H new ATOM 868 N LYS B 5 -12.360 12.016 -1.442 1.00 0.00 N ATOM 869 CA LYS B 5 -13.720 11.887 -0.906 1.00 0.00 C ATOM 870 C LYS B 5 -14.255 10.467 -1.080 1.00 0.00 C ATOM 871 O LYS B 5 -15.026 10.217 -2.003 1.00 0.00 O ATOM 872 CB LYS B 5 -14.659 12.885 -1.586 1.00 0.00 C ATOM 873 CG LYS B 5 -15.743 13.422 -0.667 1.00 0.00 C ATOM 874 CD LYS B 5 -15.436 14.840 -0.213 1.00 0.00 C ATOM 875 CE LYS B 5 -15.620 14.996 1.289 1.00 0.00 C ATOM 876 NZ LYS B 5 -15.312 16.380 1.744 1.00 0.00 N ATOM 0 H LYS B 5 -11.673 12.298 -0.743 1.00 0.00 H new ATOM 0 HA LYS B 5 -13.677 12.106 0.161 1.00 0.00 H new ATOM 0 HB2 LYS B 5 -14.073 13.720 -1.969 1.00 0.00 H new ATOM 0 HB3 LYS B 5 -15.127 12.404 -2.445 1.00 0.00 H new ATOM 0 HG2 LYS B 5 -16.702 13.404 -1.185 1.00 0.00 H new ATOM 0 HG3 LYS B 5 -15.838 12.773 0.203 1.00 0.00 H new ATOM 0 HD2 LYS B 5 -14.412 15.096 -0.484 1.00 0.00 H new ATOM 0 HD3 LYS B 5 -16.088 15.540 -0.735 1.00 0.00 H new ATOM 0 HE2 LYS B 5 -16.646 14.745 1.557 1.00 0.00 H new ATOM 0 HE3 LYS B 5 -14.973 14.290 1.810 1.00 0.00 H new ATOM 0 HZ1 LYS B 5 -15.449 16.446 2.773 1.00 0.00 H new ATOM 0 HZ2 LYS B 5 -14.325 16.611 1.511 1.00 0.00 H new ATOM 0 HZ3 LYS B 5 -15.946 17.052 1.267 1.00 0.00 H new ATOM 886 N THR B 4 -13.821 9.556 -0.178 1.00 0.00 N ATOM 887 CA THR B 4 -14.276 8.144 -0.146 1.00 0.00 C ATOM 888 C THR B 4 -13.150 7.132 -0.040 1.00 0.00 C ATOM 889 O THR B 4 -13.247 6.044 -0.599 1.00 0.00 O ATOM 890 CB THR B 4 -15.220 7.733 -1.300 1.00 0.00 C ATOM 891 OG1 THR B 4 -15.781 6.443 -1.025 1.00 0.00 O ATOM 892 CG2 THR B 4 -14.495 7.690 -2.633 1.00 0.00 C ATOM 0 H THR B 4 -13.143 9.779 0.551 1.00 0.00 H new ATOM 0 HA THR B 4 -14.855 8.119 0.777 1.00 0.00 H new ATOM 0 HB THR B 4 -16.008 8.483 -1.368 1.00 0.00 H new ATOM 0 HG1 THR B 4 -15.064 5.819 -0.786 1.00 0.00 H new ATOM 0 HG21 THR B 4 -15.193 7.397 -3.417 1.00 0.00 H new ATOM 0 HG22 THR B 4 -14.089 8.676 -2.858 1.00 0.00 H new ATOM 0 HG23 THR B 4 -13.682 6.966 -2.582 1.00 0.00 H new ATOM 900 N LYS B 3 -12.095 7.467 0.697 1.00 0.00 N ATOM 901 CA LYS B 3 -11.007 6.523 0.954 1.00 0.00 C ATOM 902 C LYS B 3 -10.773 6.394 2.453 1.00 0.00 C ATOM 903 O LYS B 3 -10.656 7.399 3.153 1.00 0.00 O ATOM 904 CB LYS B 3 -9.687 6.956 0.321 1.00 0.00 C ATOM 905 CG LYS B 3 -9.213 8.324 0.795 1.00 0.00 C ATOM 906 CD LYS B 3 -8.449 9.050 -0.293 1.00 0.00 C ATOM 907 CE LYS B 3 -6.943 8.927 -0.131 1.00 0.00 C ATOM 908 NZ LYS B 3 -6.452 9.547 1.133 1.00 0.00 N ATOM 0 H LYS B 3 -11.968 8.383 1.127 1.00 0.00 H new ATOM 0 HA LYS B 3 -11.315 5.576 0.512 1.00 0.00 H new ATOM 0 HB2 LYS B 3 -8.922 6.214 0.550 1.00 0.00 H new ATOM 0 HB3 LYS B 3 -9.800 6.974 -0.763 1.00 0.00 H new ATOM 0 HG2 LYS B 3 -10.071 8.923 1.101 1.00 0.00 H new ATOM 0 HG3 LYS B 3 -8.577 8.207 1.672 1.00 0.00 H new ATOM 0 HD2 LYS B 3 -8.740 8.651 -1.265 1.00 0.00 H new ATOM 0 HD3 LYS B 3 -8.727 10.104 -0.285 1.00 0.00 H new ATOM 0 HE2 LYS B 3 -6.664 7.873 -0.147 1.00 0.00 H new ATOM 0 HE3 LYS B 3 -6.450 9.401 -0.980 1.00 0.00 H new ATOM 0 HZ1 LYS B 3 -5.465 9.852 1.010 1.00 0.00 H new ATOM 0 HZ2 LYS B 3 -7.042 10.370 1.368 1.00 0.00 H new ATOM 0 HZ3 LYS B 3 -6.505 8.851 1.904 1.00 0.00 H new ATOM 918 N PRO B 2 -10.698 5.163 2.970 1.00 0.00 N ATOM 919 CA PRO B 2 -10.432 4.930 4.387 1.00 0.00 C ATOM 920 C PRO B 2 -9.277 5.800 4.868 1.00 0.00 C ATOM 921 O PRO B 2 -8.566 6.375 4.056 1.00 0.00 O ATOM 922 CB PRO B 2 -9.992 3.467 4.413 1.00 0.00 C ATOM 923 CG PRO B 2 -10.659 2.831 3.241 1.00 0.00 C ATOM 924 CD PRO B 2 -10.865 3.909 2.217 1.00 0.00 C ATOM 0 HA PRO B 2 -11.290 5.156 5.020 1.00 0.00 H new ATOM 0 HB2 PRO B 2 -8.908 3.382 4.342 1.00 0.00 H new ATOM 0 HB3 PRO B 2 -10.289 2.984 5.344 1.00 0.00 H new ATOM 0 HG2 PRO B 2 -10.044 2.027 2.837 1.00 0.00 H new ATOM 0 HG3 PRO B 2 -11.612 2.388 3.532 1.00 0.00 H new ATOM 0 HD2 PRO B 2 -10.140 3.832 1.407 1.00 0.00 H new ATOM 0 HD3 PRO B 2 -11.855 3.845 1.766 1.00 0.00 H new ATOM 929 N THR B 1 -9.110 5.944 6.168 1.00 0.00 N ATOM 930 CA THR B 1 -7.988 6.716 6.687 1.00 0.00 C ATOM 931 C THR B 1 -6.825 5.773 6.961 1.00 0.00 C ATOM 932 O THR B 1 -6.922 4.926 7.848 1.00 0.00 O ATOM 933 CB THR B 1 -8.360 7.463 7.982 1.00 0.00 C ATOM 934 OG1 THR B 1 -9.424 8.387 7.727 1.00 0.00 O ATOM 935 CG2 THR B 1 -7.159 8.209 8.544 1.00 0.00 C ATOM 0 H THR B 1 -9.724 5.545 6.878 1.00 0.00 H new ATOM 0 HA THR B 1 -7.711 7.461 5.942 1.00 0.00 H new ATOM 0 HB THR B 1 -8.686 6.727 8.717 1.00 0.00 H new ATOM 0 HG1 THR B 1 -9.655 8.856 8.556 1.00 0.00 H new ATOM 0 HG21 THR B 1 -7.448 8.728 9.458 1.00 0.00 H new ATOM 0 HG22 THR B 1 -6.362 7.500 8.766 1.00 0.00 H new ATOM 0 HG23 THR B 1 -6.806 8.934 7.811 1.00 0.00 H new ATOM 943 N PRO B 0 -5.698 5.888 6.222 1.00 0.00 N ATOM 944 CA PRO B 0 -4.563 4.984 6.418 1.00 0.00 C ATOM 945 C PRO B 0 -4.251 4.799 7.897 1.00 0.00 C ATOM 946 O PRO B 0 -3.595 5.639 8.514 1.00 0.00 O ATOM 947 CB PRO B 0 -3.437 5.685 5.665 1.00 0.00 C ATOM 948 CG PRO B 0 -4.154 6.347 4.546 1.00 0.00 C ATOM 949 CD PRO B 0 -5.403 6.907 5.184 1.00 0.00 C ATOM 0 HA PRO B 0 -4.741 3.972 6.054 1.00 0.00 H new ATOM 0 HB2 PRO B 0 -2.916 6.406 6.295 1.00 0.00 H new ATOM 0 HB3 PRO B 0 -2.689 4.978 5.305 1.00 0.00 H new ATOM 0 HG2 PRO B 0 -3.549 7.135 4.096 1.00 0.00 H new ATOM 0 HG3 PRO B 0 -4.395 5.639 3.753 1.00 0.00 H new ATOM 0 HD2 PRO B 0 -5.234 7.893 5.616 1.00 0.00 H new ATOM 0 HD3 PRO B 0 -6.218 7.008 4.467 1.00 0.00 H new ATOM 954 N PRO B -1 -4.725 3.684 8.485 1.00 0.00 N ATOM 955 CA PRO B -1 -4.541 3.401 9.907 1.00 0.00 C ATOM 956 C PRO B -1 -3.089 3.472 10.348 1.00 0.00 C ATOM 957 O PRO B -1 -2.178 3.523 9.522 1.00 0.00 O ATOM 958 CB PRO B -1 -5.066 1.968 10.077 1.00 0.00 C ATOM 959 CG PRO B -1 -5.166 1.418 8.697 1.00 0.00 C ATOM 960 CD PRO B -1 -5.446 2.591 7.809 1.00 0.00 C ATOM 0 HA PRO B -1 -5.061 4.140 10.517 1.00 0.00 H new ATOM 0 HB2 PRO B -1 -4.390 1.372 10.690 1.00 0.00 H new ATOM 0 HB3 PRO B -1 -6.036 1.961 10.574 1.00 0.00 H new ATOM 0 HG2 PRO B -1 -4.241 0.920 8.407 1.00 0.00 H new ATOM 0 HG3 PRO B -1 -5.962 0.677 8.628 1.00 0.00 H new ATOM 0 HD2 PRO B -1 -5.079 2.429 6.795 1.00 0.00 H new ATOM 0 HD3 PRO B -1 -6.514 2.796 7.732 1.00 0.00 H new ATOM 965 N PRO B -2 -2.866 3.484 11.673 1.00 0.00 N ATOM 966 CA PRO B -2 -1.531 3.520 12.262 1.00 0.00 C ATOM 967 C PRO B -2 -0.533 2.688 11.474 1.00 0.00 C ATOM 968 O PRO B -2 -0.920 1.823 10.695 1.00 0.00 O ATOM 969 CB PRO B -2 -1.778 2.837 13.603 1.00 0.00 C ATOM 970 CG PRO B -2 -3.144 3.277 13.998 1.00 0.00 C ATOM 971 CD PRO B -2 -3.915 3.461 12.716 1.00 0.00 C ATOM 0 HA PRO B -2 -1.116 4.527 12.304 1.00 0.00 H new ATOM 0 HB2 PRO B -2 -1.721 1.752 13.513 1.00 0.00 H new ATOM 0 HB3 PRO B -2 -1.035 3.135 14.343 1.00 0.00 H new ATOM 0 HG2 PRO B -2 -3.622 2.534 14.637 1.00 0.00 H new ATOM 0 HG3 PRO B -2 -3.104 4.207 14.565 1.00 0.00 H new ATOM 0 HD2 PRO B -2 -4.622 2.647 12.554 1.00 0.00 H new ATOM 0 HD3 PRO B -2 -4.491 4.387 12.725 1.00 0.00 H new ATOM 976 N LYS B -3 0.743 2.933 11.694 1.00 0.00 N ATOM 977 CA LYS B -3 1.798 2.206 11.013 1.00 0.00 C ATOM 978 C LYS B -3 2.798 1.711 12.027 1.00 0.00 C ATOM 979 O LYS B -3 3.262 2.485 12.865 1.00 0.00 O ATOM 980 CB LYS B -3 2.515 3.116 10.012 1.00 0.00 C ATOM 981 CG LYS B -3 2.023 3.006 8.579 1.00 0.00 C ATOM 982 CD LYS B -3 3.137 3.322 7.596 1.00 0.00 C ATOM 983 CE LYS B -3 4.323 2.389 7.779 1.00 0.00 C ATOM 984 NZ LYS B -3 5.037 2.138 6.496 1.00 0.00 N ATOM 0 H LYS B -3 1.078 3.640 12.348 1.00 0.00 H new ATOM 0 HA LYS B -3 1.355 1.366 10.478 1.00 0.00 H new ATOM 0 HB2 LYS B -3 2.405 4.150 10.340 1.00 0.00 H new ATOM 0 HB3 LYS B -3 3.580 2.886 10.033 1.00 0.00 H new ATOM 0 HG2 LYS B -3 1.646 2.000 8.396 1.00 0.00 H new ATOM 0 HG3 LYS B -3 1.190 3.691 8.423 1.00 0.00 H new ATOM 0 HD2 LYS B -3 2.760 3.237 6.577 1.00 0.00 H new ATOM 0 HD3 LYS B -3 3.461 4.354 7.731 1.00 0.00 H new ATOM 0 HE2 LYS B -3 5.016 2.820 8.501 1.00 0.00 H new ATOM 0 HE3 LYS B -3 3.979 1.442 8.194 1.00 0.00 H new ATOM 0 HZ1 LYS B -3 4.862 1.161 6.187 1.00 0.00 H new ATOM 0 HZ2 LYS B -3 4.691 2.798 5.771 1.00 0.00 H new ATOM 0 HZ3 LYS B -3 6.058 2.280 6.634 1.00 0.00 H new ATOM 994 N PRO B -4 3.162 0.426 11.988 1.00 0.00 N ATOM 995 CA PRO B -4 4.121 -0.082 12.943 1.00 0.00 C ATOM 996 C PRO B -4 5.422 0.699 12.759 1.00 0.00 C ATOM 997 O PRO B -4 6.076 0.632 11.719 1.00 0.00 O ATOM 998 CB PRO B -4 4.198 -1.588 12.645 1.00 0.00 C ATOM 999 CG PRO B -4 3.051 -1.881 11.730 1.00 0.00 C ATOM 1000 CD PRO B -4 2.685 -0.593 11.049 1.00 0.00 C ATOM 0 HA PRO B -4 3.864 0.045 13.995 1.00 0.00 H new ATOM 0 HB2 PRO B -4 5.148 -1.846 12.177 1.00 0.00 H new ATOM 0 HB3 PRO B -4 4.126 -2.172 13.562 1.00 0.00 H new ATOM 0 HG2 PRO B -4 3.328 -2.639 10.997 1.00 0.00 H new ATOM 0 HG3 PRO B -4 2.203 -2.274 12.290 1.00 0.00 H new ATOM 0 HD2 PRO B -4 3.166 -0.501 10.075 1.00 0.00 H new ATOM 0 HD3 PRO B -4 1.611 -0.516 10.882 1.00 0.00 H new ATOM 1005 N SER B -5 5.768 1.438 13.807 1.00 0.00 N ATOM 1006 CA SER B -5 6.890 2.378 13.802 1.00 0.00 C ATOM 1007 C SER B -5 8.240 1.844 13.320 1.00 0.00 C ATOM 1008 O SER B -5 9.175 2.614 13.103 1.00 0.00 O ATOM 1009 CB SER B -5 6.984 3.060 15.169 1.00 0.00 C ATOM 1010 OG SER B -5 5.698 3.382 15.668 1.00 0.00 O ATOM 0 H SER B -5 5.272 1.403 14.698 1.00 0.00 H new ATOM 0 HA SER B -5 6.653 3.106 13.026 1.00 0.00 H new ATOM 0 HB2 SER B -5 7.496 2.403 15.872 1.00 0.00 H new ATOM 0 HB3 SER B -5 7.583 3.967 15.086 1.00 0.00 H new ATOM 0 HG SER B -5 5.786 3.815 16.543 1.00 0.00 H new ATOM 1015 N HIS B -6 8.337 0.531 13.151 1.00 0.00 N ATOM 1016 CA HIS B -6 9.562 -0.090 12.654 1.00 0.00 C ATOM 1017 C HIS B -6 9.609 -0.075 11.119 1.00 0.00 C ATOM 1018 O HIS B -6 10.586 -0.526 10.520 1.00 0.00 O ATOM 1019 CB HIS B -6 9.671 -1.532 13.167 1.00 0.00 C ATOM 1020 CG HIS B -6 8.378 -2.287 13.168 1.00 0.00 C ATOM 1021 ND1 HIS B -6 7.457 -2.194 14.191 1.00 0.00 N ATOM 1022 CD2 HIS B -6 7.856 -3.157 12.272 1.00 0.00 C ATOM 1023 CE1 HIS B -6 6.426 -2.975 13.923 1.00 0.00 C ATOM 1024 NE2 HIS B -6 6.642 -3.569 12.764 1.00 0.00 N ATOM 0 H HIS B -6 7.583 -0.126 13.350 1.00 0.00 H new ATOM 0 HA HIS B -6 10.407 0.489 13.027 1.00 0.00 H new ATOM 0 HB2 HIS B -6 10.392 -2.070 12.551 1.00 0.00 H new ATOM 0 HB3 HIS B -6 10.069 -1.515 14.182 1.00 0.00 H new ATOM 0 HD2 HIS B -6 8.310 -3.469 11.343 1.00 0.00 H new ATOM 0 HE1 HIS B -6 5.554 -3.106 14.547 1.00 0.00 H new ATOM 0 HE2 HIS B -6 6.010 -4.227 12.308 1.00 0.00 H new ATOM 1032 N LEU B -7 8.547 0.444 10.486 1.00 0.00 N ATOM 1033 CA LEU B -7 8.524 0.484 9.020 1.00 0.00 C ATOM 1034 C LEU B -7 8.499 1.893 8.440 1.00 0.00 C ATOM 1035 O LEU B -7 7.729 2.178 7.524 1.00 0.00 O ATOM 1036 CB LEU B -7 7.362 -0.345 8.470 1.00 0.00 C ATOM 1037 CG LEU B -7 6.739 -1.366 9.410 1.00 0.00 C ATOM 1038 CD1 LEU B -7 5.236 -1.417 9.180 1.00 0.00 C ATOM 1039 CD2 LEU B -7 7.376 -2.730 9.187 1.00 0.00 C ATOM 0 H LEU B -7 7.722 0.828 10.947 1.00 0.00 H new ATOM 0 HA LEU B -7 9.467 0.043 8.698 1.00 0.00 H new ATOM 0 HB2 LEU B -7 6.579 0.341 8.147 1.00 0.00 H new ATOM 0 HB3 LEU B -7 7.711 -0.871 7.581 1.00 0.00 H new ATOM 0 HG LEU B -7 6.920 -1.074 10.444 1.00 0.00 H new ATOM 0 HD11 LEU B -7 4.789 -2.149 9.853 1.00 0.00 H new ATOM 0 HD12 LEU B -7 4.805 -0.435 9.374 1.00 0.00 H new ATOM 0 HD13 LEU B -7 5.035 -1.704 8.148 1.00 0.00 H new ATOM 0 HD21 LEU B -7 6.926 -3.457 9.863 1.00 0.00 H new ATOM 0 HD22 LEU B -7 7.213 -3.044 8.156 1.00 0.00 H new ATOM 0 HD23 LEU B -7 8.447 -2.668 9.382 1.00 0.00 H new ATOM 1050 N LYS B -8 9.339 2.774 8.970 1.00 0.00 N ATOM 1051 CA LYS B -8 9.433 4.138 8.465 1.00 0.00 C ATOM 1052 C LYS B -8 10.821 4.386 7.880 1.00 0.00 C ATOM 1053 O LYS B -8 11.788 3.728 8.263 1.00 0.00 O ATOM 1054 CB LYS B -8 9.129 5.145 9.578 1.00 0.00 C ATOM 1055 CG LYS B -8 7.847 4.845 10.349 1.00 0.00 C ATOM 1056 CD LYS B -8 6.711 4.426 9.429 1.00 0.00 C ATOM 1057 CE LYS B -8 5.365 4.869 9.978 1.00 0.00 C ATOM 1058 NZ LYS B -8 5.094 4.288 11.322 1.00 0.00 N ATOM 0 H LYS B -8 9.965 2.568 9.749 1.00 0.00 H new ATOM 0 HA LYS B -8 8.693 4.271 7.675 1.00 0.00 H new ATOM 0 HB2 LYS B -8 9.966 5.163 10.276 1.00 0.00 H new ATOM 0 HB3 LYS B -8 9.055 6.142 9.143 1.00 0.00 H new ATOM 0 HG2 LYS B -8 8.037 4.053 11.073 1.00 0.00 H new ATOM 0 HG3 LYS B -8 7.549 5.728 10.913 1.00 0.00 H new ATOM 0 HD2 LYS B -8 6.863 4.858 8.440 1.00 0.00 H new ATOM 0 HD3 LYS B -8 6.718 3.343 9.308 1.00 0.00 H new ATOM 0 HE2 LYS B -8 5.339 5.957 10.041 1.00 0.00 H new ATOM 0 HE3 LYS B -8 4.576 4.571 9.288 1.00 0.00 H new ATOM 0 HZ1 LYS B -8 4.116 4.502 11.602 1.00 0.00 H new ATOM 0 HZ2 LYS B -8 5.227 3.257 11.288 1.00 0.00 H new ATOM 0 HZ3 LYS B -8 5.750 4.698 12.016 1.00 0.00 H new ATOM 1068 N PRO B -9 10.941 5.340 6.942 1.00 0.00 N ATOM 1069 CA PRO B -9 12.222 5.647 6.296 1.00 0.00 C ATOM 1070 C PRO B -9 13.329 5.921 7.307 1.00 0.00 C ATOM 1071 O PRO B -9 13.050 6.334 8.433 1.00 0.00 O ATOM 1072 CB PRO B -9 11.915 6.913 5.492 1.00 0.00 C ATOM 1073 CG PRO B -9 10.452 6.843 5.227 1.00 0.00 C ATOM 1074 CD PRO B -9 9.848 6.191 6.440 1.00 0.00 C ATOM 0 HA PRO B -9 12.584 4.815 5.692 1.00 0.00 H new ATOM 0 HB2 PRO B -9 12.174 7.811 6.053 1.00 0.00 H new ATOM 0 HB3 PRO B -9 12.485 6.941 4.564 1.00 0.00 H new ATOM 0 HG2 PRO B -9 10.035 7.838 5.069 1.00 0.00 H new ATOM 0 HG3 PRO B -9 10.245 6.264 4.327 1.00 0.00 H new ATOM 0 HD2 PRO B -9 9.538 6.928 7.181 1.00 0.00 H new ATOM 0 HD3 PRO B -9 8.965 5.605 6.185 1.00 0.00 H new ATOM 1079 N LYS B -10 14.581 5.695 6.923 1.00 0.00 N ATOM 1080 CA LYS B -10 15.700 5.960 7.819 1.00 0.00 C ATOM 1081 C LYS B -10 15.595 5.116 9.085 1.00 0.00 C ATOM 1082 O LYS B -10 16.557 4.458 9.475 1.00 0.00 O ATOM 1083 CB LYS B -10 15.748 7.446 8.185 1.00 0.00 C ATOM 1084 CG LYS B -10 15.392 8.369 7.031 1.00 0.00 C ATOM 1085 CD LYS B -10 16.060 9.727 7.176 1.00 0.00 C ATOM 1086 CE LYS B -10 15.074 10.785 7.645 1.00 0.00 C ATOM 1087 NZ LYS B -10 14.474 11.532 6.504 1.00 0.00 N ATOM 0 H LYS B -10 14.845 5.333 6.007 1.00 0.00 H new ATOM 0 HA LYS B -10 16.620 5.691 7.300 1.00 0.00 H new ATOM 0 HB2 LYS B -10 15.062 7.630 9.012 1.00 0.00 H new ATOM 0 HB3 LYS B -10 16.749 7.692 8.541 1.00 0.00 H new ATOM 0 HG2 LYS B -10 15.697 7.911 6.090 1.00 0.00 H new ATOM 0 HG3 LYS B -10 14.310 8.497 6.987 1.00 0.00 H new ATOM 0 HD2 LYS B -10 16.883 9.655 7.887 1.00 0.00 H new ATOM 0 HD3 LYS B -10 16.489 10.026 6.220 1.00 0.00 H new ATOM 0 HE2 LYS B -10 14.282 10.311 8.225 1.00 0.00 H new ATOM 0 HE3 LYS B -10 15.581 11.484 8.310 1.00 0.00 H new ATOM 0 HZ1 LYS B -10 13.808 12.243 6.867 1.00 0.00 H new ATOM 0 HZ2 LYS B -10 15.227 12.006 5.965 1.00 0.00 H new ATOM 0 HZ3 LYS B -10 13.968 10.869 5.883 1.00 0.00 H new TER 1097 LYS B -10