USER MOD reduce.3.24.130724 H: found=0, std=0, add=586, rem=0, adj=18 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: B -5 SER OG : rot 180:sc= 0.00428 USER MOD Set 1.2: B -8 LYS NZ :NH3+ -148:sc= -0.943 (180deg=-2.25!) USER MOD Single : A 1 ALA N :NH3+ -116:sc= 0.0749 (180deg=-0.00206) USER MOD Single : A 5 THR OG1 : rot 180:sc= -0.499 USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 TYR OH : rot -46:sc= -2.2 USER MOD Single : A 16 ASN : amide:sc= -4.11! C(o=-4.1!,f=-11!) USER MOD Single : A 19 THR OG1 : rot 180:sc=-0.00213 USER MOD Single : A 23 ASN : amide:sc= -1.74 X(o=-1.7,f=-1.7) USER MOD Single : A 25 LYS NZ :NH3+ -175:sc= -3.9! (180deg=-4.15!) USER MOD Single : A 28 ASN :FLIP amide:sc= -3.06! C(o=-8.9!,f=-3.1!) USER MOD Single : A 43 LYS NZ :NH3+ -151:sc= -3.09! (180deg=-7.04!) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot 112:sc= 0.413 USER MOD Single : A 53 ASN : amide:sc= -5.04! C(o=-5!,f=-12!) USER MOD Single : A 54 TYR OH : rot -61:sc= 0.206 USER MOD Single : A 56 SER OG : rot 125:sc= 0.0192 USER MOD Single : A 59 ASN : amide:sc= -0.658 K(o=-0.66,f=-1.7!) USER MOD Single : B 1 THR OG1 : rot 180:sc= 0 USER MOD Single : B 3 LYS NZ :NH3+ 160:sc= -3.5! (180deg=-5.47!) USER MOD Single : B 4 THR OG1 : rot 180:sc= -0.0249 USER MOD Single : B 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B -3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B -6 HIS : no HE2:sc= -6.32! C(o=-6.3!,f=-9.1!) USER MOD Single : B -10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 4.091 -14.146 -4.892 1.00 0.00 N ATOM 2 CA ALA A 1 3.335 -13.859 -3.646 1.00 0.00 C ATOM 3 C ALA A 1 1.916 -13.383 -3.963 1.00 0.00 C ATOM 4 O ALA A 1 1.606 -13.047 -5.106 1.00 0.00 O ATOM 5 CB ALA A 1 4.072 -12.818 -2.811 1.00 0.00 C ATOM 0 H1 ALA A 1 4.327 -15.158 -4.930 1.00 0.00 H new ATOM 0 H2 ALA A 1 3.509 -13.895 -5.717 1.00 0.00 H new ATOM 0 H3 ALA A 1 4.967 -13.586 -4.903 1.00 0.00 H new ATOM 0 HA ALA A 1 3.260 -14.782 -3.071 1.00 0.00 H new ATOM 0 HB1 ALA A 1 3.508 -12.616 -1.900 1.00 0.00 H new ATOM 0 HB2 ALA A 1 5.061 -13.195 -2.549 1.00 0.00 H new ATOM 0 HB3 ALA A 1 4.175 -11.897 -3.385 1.00 0.00 H new ATOM 13 N PRO A 2 1.034 -13.349 -2.947 1.00 0.00 N ATOM 14 CA PRO A 2 -0.366 -12.913 -3.108 1.00 0.00 C ATOM 15 C PRO A 2 -0.481 -11.548 -3.780 1.00 0.00 C ATOM 16 O PRO A 2 0.495 -10.814 -3.901 1.00 0.00 O ATOM 17 CB PRO A 2 -0.900 -12.923 -1.658 1.00 0.00 C ATOM 18 CG PRO A 2 0.308 -12.937 -0.790 1.00 0.00 C ATOM 19 CD PRO A 2 1.327 -13.723 -1.552 1.00 0.00 C ATOM 0 HA PRO A 2 -0.942 -13.559 -3.770 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -1.515 -12.045 -1.460 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -1.524 -13.798 -1.476 1.00 0.00 H new ATOM 0 HG2 PRO A 2 0.660 -11.925 -0.589 1.00 0.00 H new ATOM 0 HG3 PRO A 2 0.095 -13.398 0.174 1.00 0.00 H new ATOM 0 HD2 PRO A 2 2.344 -13.457 -1.265 1.00 0.00 H new ATOM 0 HD3 PRO A 2 1.220 -14.795 -1.387 1.00 0.00 H new ATOM 24 N TRP A 3 -1.677 -11.233 -4.240 1.00 0.00 N ATOM 25 CA TRP A 3 -1.930 -9.987 -4.954 1.00 0.00 C ATOM 26 C TRP A 3 -3.176 -9.298 -4.414 1.00 0.00 C ATOM 27 O TRP A 3 -4.076 -9.944 -3.879 1.00 0.00 O ATOM 28 CB TRP A 3 -2.076 -10.317 -6.438 1.00 0.00 C ATOM 29 CG TRP A 3 -3.349 -11.003 -6.755 1.00 0.00 C ATOM 30 CD1 TRP A 3 -3.612 -12.339 -6.756 1.00 0.00 C ATOM 31 CD2 TRP A 3 -4.541 -10.351 -7.109 1.00 0.00 C ATOM 32 NE1 TRP A 3 -4.924 -12.550 -7.103 1.00 0.00 N ATOM 33 CE2 TRP A 3 -5.518 -11.330 -7.329 1.00 0.00 C ATOM 34 CE3 TRP A 3 -4.860 -9.017 -7.262 1.00 0.00 C ATOM 35 CZ2 TRP A 3 -6.818 -10.996 -7.702 1.00 0.00 C ATOM 36 CZ3 TRP A 3 -6.124 -8.679 -7.625 1.00 0.00 C ATOM 37 CH2 TRP A 3 -7.104 -9.660 -7.846 1.00 0.00 C ATOM 0 H TRP A 3 -2.499 -11.827 -4.132 1.00 0.00 H new ATOM 0 HA TRP A 3 -1.100 -9.294 -4.811 1.00 0.00 H new ATOM 0 HB2 TRP A 3 -2.012 -9.396 -7.017 1.00 0.00 H new ATOM 0 HB3 TRP A 3 -1.243 -10.948 -6.748 1.00 0.00 H new ATOM 0 HD1 TRP A 3 -2.898 -13.114 -6.520 1.00 0.00 H new ATOM 0 HE1 TRP A 3 -5.381 -13.459 -7.180 1.00 0.00 H new ATOM 0 HE3 TRP A 3 -4.115 -8.253 -7.095 1.00 0.00 H new ATOM 0 HZ2 TRP A 3 -7.568 -11.754 -7.871 1.00 0.00 H new ATOM 0 HZ3 TRP A 3 -6.380 -7.637 -7.746 1.00 0.00 H new ATOM 0 HH2 TRP A 3 -8.100 -9.359 -8.134 1.00 0.00 H new ATOM 47 N ALA A 4 -3.215 -7.969 -4.565 1.00 0.00 N ATOM 48 CA ALA A 4 -4.347 -7.204 -4.068 1.00 0.00 C ATOM 49 C ALA A 4 -4.756 -6.068 -4.997 1.00 0.00 C ATOM 50 O ALA A 4 -3.981 -5.619 -5.838 1.00 0.00 O ATOM 51 CB ALA A 4 -4.067 -6.627 -2.687 1.00 0.00 C ATOM 0 H ALA A 4 -2.488 -7.417 -5.019 1.00 0.00 H new ATOM 0 HA ALA A 4 -5.172 -7.915 -4.015 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -4.934 -6.061 -2.346 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -3.865 -7.438 -1.988 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -3.201 -5.968 -2.737 1.00 0.00 H new ATOM 57 N THR A 5 -5.980 -5.617 -4.826 1.00 0.00 N ATOM 58 CA THR A 5 -6.521 -4.519 -5.611 1.00 0.00 C ATOM 59 C THR A 5 -6.824 -3.326 -4.723 1.00 0.00 C ATOM 60 O THR A 5 -7.088 -3.478 -3.531 1.00 0.00 O ATOM 61 CB THR A 5 -7.815 -4.920 -6.343 1.00 0.00 C ATOM 62 OG1 THR A 5 -7.754 -6.297 -6.732 1.00 0.00 O ATOM 63 CG2 THR A 5 -8.030 -4.051 -7.572 1.00 0.00 C ATOM 0 H THR A 5 -6.631 -5.998 -4.140 1.00 0.00 H new ATOM 0 HA THR A 5 -5.762 -4.258 -6.349 1.00 0.00 H new ATOM 0 HB THR A 5 -8.652 -4.774 -5.660 1.00 0.00 H new ATOM 0 HG1 THR A 5 -8.582 -6.543 -7.196 1.00 0.00 H new ATOM 0 HG21 THR A 5 -8.950 -4.352 -8.074 1.00 0.00 H new ATOM 0 HG22 THR A 5 -8.106 -3.006 -7.270 1.00 0.00 H new ATOM 0 HG23 THR A 5 -7.188 -4.171 -8.254 1.00 0.00 H new ATOM 71 N ALA A 6 -6.784 -2.135 -5.313 1.00 0.00 N ATOM 72 CA ALA A 6 -7.060 -0.909 -4.583 1.00 0.00 C ATOM 73 C ALA A 6 -8.536 -0.562 -4.667 1.00 0.00 C ATOM 74 O ALA A 6 -9.158 -0.672 -5.723 1.00 0.00 O ATOM 75 CB ALA A 6 -6.222 0.243 -5.124 1.00 0.00 C ATOM 0 H ALA A 6 -6.562 -1.996 -6.299 1.00 0.00 H new ATOM 0 HA ALA A 6 -6.794 -1.070 -3.538 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -6.445 1.150 -4.563 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -5.164 0.003 -5.020 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -6.457 0.401 -6.177 1.00 0.00 H new ATOM 81 N GLU A 7 -9.086 -0.141 -3.539 1.00 0.00 N ATOM 82 CA GLU A 7 -10.482 0.246 -3.470 1.00 0.00 C ATOM 83 C GLU A 7 -10.640 1.747 -3.221 1.00 0.00 C ATOM 84 O GLU A 7 -11.753 2.274 -3.205 1.00 0.00 O ATOM 85 CB GLU A 7 -11.203 -0.512 -2.356 1.00 0.00 C ATOM 86 CG GLU A 7 -11.095 -2.022 -2.480 1.00 0.00 C ATOM 87 CD GLU A 7 -11.372 -2.733 -1.169 1.00 0.00 C ATOM 88 OE1 GLU A 7 -10.602 -2.526 -0.208 1.00 0.00 O ATOM 89 OE2 GLU A 7 -12.358 -3.497 -1.105 1.00 0.00 O ATOM 0 H GLU A 7 -8.582 -0.059 -2.656 1.00 0.00 H new ATOM 0 HA GLU A 7 -10.925 -0.003 -4.434 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -10.793 -0.204 -1.394 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -12.256 -0.230 -2.358 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -11.798 -2.373 -3.236 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -10.096 -2.284 -2.828 1.00 0.00 H new ATOM 94 N TYR A 8 -9.505 2.430 -3.023 1.00 0.00 N ATOM 95 CA TYR A 8 -9.460 3.867 -2.787 1.00 0.00 C ATOM 96 C TYR A 8 -8.153 4.437 -3.309 1.00 0.00 C ATOM 97 O TYR A 8 -7.118 3.777 -3.234 1.00 0.00 O ATOM 98 CB TYR A 8 -9.540 4.120 -1.293 1.00 0.00 C ATOM 99 CG TYR A 8 -10.715 3.443 -0.671 1.00 0.00 C ATOM 100 CD1 TYR A 8 -10.618 2.140 -0.224 1.00 0.00 C ATOM 101 CD2 TYR A 8 -11.928 4.095 -0.556 1.00 0.00 C ATOM 102 CE1 TYR A 8 -11.697 1.500 0.328 1.00 0.00 C ATOM 103 CE2 TYR A 8 -13.018 3.468 -0.006 1.00 0.00 C ATOM 104 CZ TYR A 8 -12.903 2.164 0.437 1.00 0.00 C ATOM 105 OH TYR A 8 -13.991 1.529 0.988 1.00 0.00 O ATOM 0 H TYR A 8 -8.585 1.989 -3.023 1.00 0.00 H new ATOM 0 HA TYR A 8 -10.294 4.344 -3.301 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -8.625 3.768 -0.817 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -9.602 5.193 -1.110 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -9.677 1.617 -0.311 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -12.020 5.113 -0.904 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -11.605 0.482 0.676 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -13.959 3.990 0.080 1.00 0.00 H new ATOM 0 HH TYR A 8 -14.759 2.138 0.990 1.00 0.00 H new ATOM 114 N ASP A 9 -8.182 5.646 -3.833 1.00 0.00 N ATOM 115 CA ASP A 9 -6.986 6.304 -4.347 1.00 0.00 C ATOM 116 C ASP A 9 -6.060 6.543 -3.165 1.00 0.00 C ATOM 117 O ASP A 9 -6.108 7.595 -2.525 1.00 0.00 O ATOM 118 CB ASP A 9 -7.412 7.619 -4.994 1.00 0.00 C ATOM 119 CG ASP A 9 -8.633 7.462 -5.880 1.00 0.00 C ATOM 120 OD1 ASP A 9 -8.965 6.311 -6.234 1.00 0.00 O ATOM 121 OD2 ASP A 9 -9.256 8.489 -6.219 1.00 0.00 O ATOM 0 H ASP A 9 -9.032 6.204 -3.917 1.00 0.00 H new ATOM 0 HA ASP A 9 -6.467 5.703 -5.094 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -7.624 8.351 -4.215 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -6.586 8.013 -5.586 1.00 0.00 H new ATOM 125 N TYR A 10 -5.215 5.558 -2.882 1.00 0.00 N ATOM 126 CA TYR A 10 -4.333 5.630 -1.722 1.00 0.00 C ATOM 127 C TYR A 10 -3.113 6.492 -1.997 1.00 0.00 C ATOM 128 O TYR A 10 -2.432 6.315 -3.007 1.00 0.00 O ATOM 129 CB TYR A 10 -3.911 4.233 -1.296 1.00 0.00 C ATOM 130 CG TYR A 10 -2.918 4.216 -0.162 1.00 0.00 C ATOM 131 CD1 TYR A 10 -3.144 4.951 0.994 1.00 0.00 C ATOM 132 CD2 TYR A 10 -1.756 3.463 -0.245 1.00 0.00 C ATOM 133 CE1 TYR A 10 -2.239 4.935 2.035 1.00 0.00 C ATOM 134 CE2 TYR A 10 -0.846 3.441 0.791 1.00 0.00 C ATOM 135 CZ TYR A 10 -1.093 4.178 1.928 1.00 0.00 C ATOM 136 OH TYR A 10 -0.188 4.159 2.959 1.00 0.00 O ATOM 0 H TYR A 10 -5.122 4.706 -3.435 1.00 0.00 H new ATOM 0 HA TYR A 10 -4.889 6.098 -0.910 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -4.797 3.671 -0.999 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -3.478 3.717 -2.153 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -4.042 5.544 1.080 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -1.561 2.884 -1.136 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -2.428 5.512 2.928 1.00 0.00 H new ATOM 0 HE2 TYR A 10 0.054 2.850 0.711 1.00 0.00 H new ATOM 0 HH TYR A 10 -0.027 5.074 3.270 1.00 0.00 H new ATOM 145 N ASP A 11 -2.837 7.427 -1.096 1.00 0.00 N ATOM 146 CA ASP A 11 -1.685 8.288 -1.288 1.00 0.00 C ATOM 147 C ASP A 11 -0.631 8.165 -0.154 1.00 0.00 C ATOM 148 O ASP A 11 -0.419 9.130 0.578 1.00 0.00 O ATOM 149 CB ASP A 11 -2.224 9.716 -1.374 1.00 0.00 C ATOM 150 CG ASP A 11 -1.152 10.789 -1.299 1.00 0.00 C ATOM 151 OD1 ASP A 11 0.011 10.491 -1.644 1.00 0.00 O ATOM 152 OD2 ASP A 11 -1.476 11.925 -0.891 1.00 0.00 O ATOM 0 H ASP A 11 -3.379 7.603 -0.250 1.00 0.00 H new ATOM 0 HA ASP A 11 -1.158 7.994 -2.196 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -2.772 9.830 -2.309 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -2.937 9.873 -0.565 1.00 0.00 H new ATOM 156 N ALA A 12 -0.002 6.961 0.001 1.00 0.00 N ATOM 157 CA ALA A 12 1.090 6.702 0.998 1.00 0.00 C ATOM 158 C ALA A 12 1.310 7.875 1.945 1.00 0.00 C ATOM 159 O ALA A 12 1.972 8.846 1.575 1.00 0.00 O ATOM 160 CB ALA A 12 2.401 6.448 0.268 1.00 0.00 C ATOM 0 H ALA A 12 -0.236 6.142 -0.560 1.00 0.00 H new ATOM 0 HA ALA A 12 0.779 5.835 1.581 1.00 0.00 H new ATOM 0 HB1 ALA A 12 3.192 6.260 0.995 1.00 0.00 H new ATOM 0 HB2 ALA A 12 2.293 5.580 -0.383 1.00 0.00 H new ATOM 0 HB3 ALA A 12 2.659 7.321 -0.331 1.00 0.00 H new ATOM 166 N ALA A 13 0.781 7.810 3.140 1.00 0.00 N ATOM 167 CA ALA A 13 0.974 8.921 4.064 1.00 0.00 C ATOM 168 C ALA A 13 2.475 9.242 4.347 1.00 0.00 C ATOM 169 O ALA A 13 2.777 10.405 4.617 1.00 0.00 O ATOM 170 CB ALA A 13 0.223 8.667 5.362 1.00 0.00 C ATOM 0 H ALA A 13 0.229 7.030 3.497 1.00 0.00 H new ATOM 0 HA ALA A 13 0.564 9.804 3.574 1.00 0.00 H new ATOM 0 HB1 ALA A 13 0.377 9.505 6.041 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -0.841 8.561 5.152 1.00 0.00 H new ATOM 0 HB3 ALA A 13 0.594 7.752 5.824 1.00 0.00 H new ATOM 176 N GLU A 14 3.421 8.289 4.302 1.00 0.00 N ATOM 177 CA GLU A 14 4.829 8.628 4.666 1.00 0.00 C ATOM 178 C GLU A 14 5.970 8.523 3.603 1.00 0.00 C ATOM 179 O GLU A 14 7.081 8.938 3.932 1.00 0.00 O ATOM 180 CB GLU A 14 5.252 7.779 5.863 1.00 0.00 C ATOM 181 CG GLU A 14 4.679 8.263 7.186 1.00 0.00 C ATOM 182 CD GLU A 14 5.320 7.585 8.382 1.00 0.00 C ATOM 183 OE1 GLU A 14 4.893 6.464 8.728 1.00 0.00 O ATOM 184 OE2 GLU A 14 6.248 8.176 8.973 1.00 0.00 O ATOM 0 H GLU A 14 3.261 7.318 4.032 1.00 0.00 H new ATOM 0 HA GLU A 14 4.748 9.701 4.843 1.00 0.00 H new ATOM 0 HB2 GLU A 14 4.938 6.749 5.696 1.00 0.00 H new ATOM 0 HB3 GLU A 14 6.340 7.774 5.928 1.00 0.00 H new ATOM 0 HG2 GLU A 14 4.819 9.341 7.266 1.00 0.00 H new ATOM 0 HG3 GLU A 14 3.605 8.079 7.201 1.00 0.00 H new ATOM 189 N ASP A 15 5.752 7.985 2.385 1.00 0.00 N ATOM 190 CA ASP A 15 6.857 7.783 1.367 1.00 0.00 C ATOM 191 C ASP A 15 7.290 6.310 1.462 1.00 0.00 C ATOM 192 O ASP A 15 7.631 5.633 0.493 1.00 0.00 O ATOM 193 CB ASP A 15 8.071 8.694 1.585 1.00 0.00 C ATOM 194 CG ASP A 15 9.029 8.670 0.409 1.00 0.00 C ATOM 195 OD1 ASP A 15 8.667 8.097 -0.640 1.00 0.00 O ATOM 196 OD2 ASP A 15 10.141 9.224 0.540 1.00 0.00 O ATOM 0 H ASP A 15 4.834 7.678 2.064 1.00 0.00 H new ATOM 0 HA ASP A 15 6.470 8.042 0.382 1.00 0.00 H new ATOM 0 HB2 ASP A 15 7.730 9.716 1.752 1.00 0.00 H new ATOM 0 HB3 ASP A 15 8.599 8.383 2.487 1.00 0.00 H new ATOM 200 N ASN A 16 7.242 5.896 2.719 1.00 0.00 N ATOM 201 CA ASN A 16 7.347 4.557 3.253 1.00 0.00 C ATOM 202 C ASN A 16 6.356 3.795 2.368 1.00 0.00 C ATOM 203 O ASN A 16 6.664 3.393 1.247 1.00 0.00 O ATOM 204 CB ASN A 16 7.075 4.551 4.768 1.00 0.00 C ATOM 205 CG ASN A 16 7.304 3.192 5.392 1.00 0.00 C ATOM 206 OD1 ASN A 16 6.456 2.303 5.312 1.00 0.00 O ATOM 207 ND2 ASN A 16 8.463 3.030 6.019 1.00 0.00 N ATOM 0 H ASN A 16 7.114 6.573 3.471 1.00 0.00 H new ATOM 0 HA ASN A 16 8.331 4.090 3.212 1.00 0.00 H new ATOM 0 HB2 ASN A 16 7.721 5.283 5.253 1.00 0.00 H new ATOM 0 HB3 ASN A 16 6.047 4.862 4.951 1.00 0.00 H new ATOM 0 HD21 ASN A 16 8.683 2.138 6.462 1.00 0.00 H new ATOM 0 HD22 ASN A 16 9.133 3.798 6.058 1.00 0.00 H new ATOM 213 N GLU A 17 5.224 3.545 2.987 1.00 0.00 N ATOM 214 CA GLU A 17 4.103 2.901 2.335 1.00 0.00 C ATOM 215 C GLU A 17 4.055 3.114 0.814 1.00 0.00 C ATOM 216 O GLU A 17 4.673 4.024 0.262 1.00 0.00 O ATOM 217 CB GLU A 17 2.851 3.555 2.905 1.00 0.00 C ATOM 218 CG GLU A 17 2.817 3.637 4.432 1.00 0.00 C ATOM 219 CD GLU A 17 1.803 4.641 4.945 1.00 0.00 C ATOM 220 OE1 GLU A 17 1.386 5.519 4.160 1.00 0.00 O ATOM 221 OE2 GLU A 17 1.443 4.566 6.139 1.00 0.00 O ATOM 0 H GLU A 17 5.053 3.784 3.964 1.00 0.00 H new ATOM 0 HA GLU A 17 4.187 1.828 2.510 1.00 0.00 H new ATOM 0 HB2 GLU A 17 2.765 4.562 2.498 1.00 0.00 H new ATOM 0 HB3 GLU A 17 1.978 2.998 2.564 1.00 0.00 H new ATOM 0 HG2 GLU A 17 2.585 2.653 4.839 1.00 0.00 H new ATOM 0 HG3 GLU A 17 3.807 3.908 4.799 1.00 0.00 H new ATOM 226 N LEU A 18 3.227 2.312 0.169 1.00 0.00 N ATOM 227 CA LEU A 18 3.050 2.330 -1.274 1.00 0.00 C ATOM 228 C LEU A 18 1.950 3.309 -1.585 1.00 0.00 C ATOM 229 O LEU A 18 1.338 3.890 -0.691 1.00 0.00 O ATOM 230 CB LEU A 18 2.645 0.942 -1.769 1.00 0.00 C ATOM 231 CG LEU A 18 3.634 0.277 -2.718 1.00 0.00 C ATOM 232 CD1 LEU A 18 3.534 -1.230 -2.589 1.00 0.00 C ATOM 233 CD2 LEU A 18 3.374 0.713 -4.152 1.00 0.00 C ATOM 0 H LEU A 18 2.648 1.617 0.641 1.00 0.00 H new ATOM 0 HA LEU A 18 3.980 2.617 -1.765 1.00 0.00 H new ATOM 0 HB2 LEU A 18 2.503 0.293 -0.905 1.00 0.00 H new ATOM 0 HB3 LEU A 18 1.681 1.020 -2.271 1.00 0.00 H new ATOM 0 HG LEU A 18 4.644 0.586 -2.450 1.00 0.00 H new ATOM 0 HD11 LEU A 18 4.243 -1.701 -3.270 1.00 0.00 H new ATOM 0 HD12 LEU A 18 3.764 -1.524 -1.565 1.00 0.00 H new ATOM 0 HD13 LEU A 18 2.523 -1.550 -2.840 1.00 0.00 H new ATOM 0 HD21 LEU A 18 4.090 0.228 -4.815 1.00 0.00 H new ATOM 0 HD22 LEU A 18 2.362 0.429 -4.441 1.00 0.00 H new ATOM 0 HD23 LEU A 18 3.483 1.795 -4.229 1.00 0.00 H new ATOM 244 N THR A 19 1.696 3.473 -2.871 1.00 0.00 N ATOM 245 CA THR A 19 0.729 4.448 -3.304 1.00 0.00 C ATOM 246 C THR A 19 0.064 3.990 -4.582 1.00 0.00 C ATOM 247 O THR A 19 0.742 3.620 -5.541 1.00 0.00 O ATOM 248 CB THR A 19 1.404 5.804 -3.537 1.00 0.00 C ATOM 249 OG1 THR A 19 2.794 5.730 -3.195 1.00 0.00 O ATOM 250 CG2 THR A 19 0.726 6.852 -2.700 1.00 0.00 C ATOM 0 H THR A 19 2.144 2.947 -3.621 1.00 0.00 H new ATOM 0 HA THR A 19 -0.024 4.555 -2.523 1.00 0.00 H new ATOM 0 HB THR A 19 1.317 6.070 -4.591 1.00 0.00 H new ATOM 0 HG1 THR A 19 3.216 6.601 -3.349 1.00 0.00 H new ATOM 0 HG21 THR A 19 1.206 7.817 -2.866 1.00 0.00 H new ATOM 0 HG22 THR A 19 -0.325 6.917 -2.980 1.00 0.00 H new ATOM 0 HG23 THR A 19 0.805 6.584 -1.647 1.00 0.00 H new ATOM 258 N PHE A 20 -1.253 4.012 -4.608 1.00 0.00 N ATOM 259 CA PHE A 20 -1.965 3.546 -5.780 1.00 0.00 C ATOM 260 C PHE A 20 -3.310 4.232 -5.940 1.00 0.00 C ATOM 261 O PHE A 20 -3.757 4.994 -5.083 1.00 0.00 O ATOM 262 CB PHE A 20 -2.127 2.025 -5.716 1.00 0.00 C ATOM 263 CG PHE A 20 -2.194 1.507 -4.306 1.00 0.00 C ATOM 264 CD1 PHE A 20 -3.323 1.721 -3.534 1.00 0.00 C ATOM 265 CD2 PHE A 20 -1.114 0.847 -3.743 1.00 0.00 C ATOM 266 CE1 PHE A 20 -3.374 1.289 -2.224 1.00 0.00 C ATOM 267 CE2 PHE A 20 -1.162 0.405 -2.435 1.00 0.00 C ATOM 268 CZ PHE A 20 -2.293 0.630 -1.672 1.00 0.00 C ATOM 0 H PHE A 20 -1.844 4.342 -3.845 1.00 0.00 H new ATOM 0 HA PHE A 20 -1.375 3.805 -6.659 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -3.034 1.738 -6.248 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -1.292 1.553 -6.233 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -4.173 2.232 -3.961 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -0.225 0.676 -4.333 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -4.259 1.466 -1.631 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -0.317 -0.116 -2.009 1.00 0.00 H new ATOM 0 HZ PHE A 20 -2.331 0.291 -0.647 1.00 0.00 H new ATOM 277 N VAL A 21 -3.936 3.934 -7.065 1.00 0.00 N ATOM 278 CA VAL A 21 -5.242 4.475 -7.392 1.00 0.00 C ATOM 279 C VAL A 21 -6.204 3.343 -7.666 1.00 0.00 C ATOM 280 O VAL A 21 -5.880 2.446 -8.435 1.00 0.00 O ATOM 281 CB VAL A 21 -5.190 5.402 -8.609 1.00 0.00 C ATOM 282 CG1 VAL A 21 -4.698 6.782 -8.205 1.00 0.00 C ATOM 283 CG2 VAL A 21 -4.299 4.796 -9.673 1.00 0.00 C ATOM 0 H VAL A 21 -3.553 3.311 -7.776 1.00 0.00 H new ATOM 0 HA VAL A 21 -5.580 5.062 -6.538 1.00 0.00 H new ATOM 0 HB VAL A 21 -6.194 5.514 -9.019 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -4.667 7.428 -9.082 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -5.375 7.207 -7.464 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -3.698 6.701 -7.778 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -4.264 5.458 -10.538 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -3.293 4.666 -9.274 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -4.698 3.827 -9.973 1.00 0.00 H new ATOM 293 N GLU A 22 -7.382 3.392 -7.042 1.00 0.00 N ATOM 294 CA GLU A 22 -8.416 2.360 -7.165 1.00 0.00 C ATOM 295 C GLU A 22 -8.305 1.484 -8.404 1.00 0.00 C ATOM 296 O GLU A 22 -7.928 1.927 -9.490 1.00 0.00 O ATOM 297 CB GLU A 22 -9.796 2.997 -7.160 1.00 0.00 C ATOM 298 CG GLU A 22 -10.109 3.785 -8.423 1.00 0.00 C ATOM 299 CD GLU A 22 -11.577 4.151 -8.535 1.00 0.00 C ATOM 300 OE1 GLU A 22 -12.153 4.609 -7.526 1.00 0.00 O ATOM 301 OE2 GLU A 22 -12.149 3.979 -9.632 1.00 0.00 O ATOM 0 H GLU A 22 -7.650 4.161 -6.427 1.00 0.00 H new ATOM 0 HA GLU A 22 -8.262 1.711 -6.303 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -10.546 2.217 -7.034 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -9.878 3.660 -6.299 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -9.510 4.695 -8.436 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -9.817 3.198 -9.294 1.00 0.00 H new ATOM 306 N ASN A 23 -8.711 0.241 -8.217 1.00 0.00 N ATOM 307 CA ASN A 23 -8.642 -0.714 -9.306 1.00 0.00 C ATOM 308 C ASN A 23 -7.182 -1.023 -9.660 1.00 0.00 C ATOM 309 O ASN A 23 -6.918 -1.717 -10.641 1.00 0.00 O ATOM 310 CB ASN A 23 -9.394 -0.195 -10.536 1.00 0.00 C ATOM 311 CG ASN A 23 -10.576 0.689 -10.182 1.00 0.00 C ATOM 312 OD1 ASN A 23 -11.348 0.382 -9.274 1.00 0.00 O ATOM 313 ND2 ASN A 23 -10.722 1.793 -10.903 1.00 0.00 N ATOM 0 H ASN A 23 -9.084 -0.125 -7.341 1.00 0.00 H new ATOM 0 HA ASN A 23 -9.121 -1.637 -8.978 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -8.704 0.366 -11.166 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -9.745 -1.043 -11.124 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -11.498 2.427 -10.714 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -10.058 2.008 -11.647 1.00 0.00 H new ATOM 319 N ASP A 24 -6.229 -0.507 -8.863 1.00 0.00 N ATOM 320 CA ASP A 24 -4.815 -0.779 -9.114 1.00 0.00 C ATOM 321 C ASP A 24 -4.522 -2.207 -8.706 1.00 0.00 C ATOM 322 O ASP A 24 -4.961 -2.678 -7.658 1.00 0.00 O ATOM 323 CB ASP A 24 -3.892 0.228 -8.371 1.00 0.00 C ATOM 324 CG ASP A 24 -2.971 -0.397 -7.325 1.00 0.00 C ATOM 325 OD1 ASP A 24 -3.482 -1.111 -6.436 1.00 0.00 O ATOM 326 OD2 ASP A 24 -1.749 -0.170 -7.400 1.00 0.00 O ATOM 0 H ASP A 24 -6.414 0.089 -8.056 1.00 0.00 H new ATOM 0 HA ASP A 24 -4.607 -0.652 -10.176 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -3.281 0.750 -9.107 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -4.515 0.979 -7.884 1.00 0.00 H new ATOM 330 N LYS A 25 -3.772 -2.882 -9.557 1.00 0.00 N ATOM 331 CA LYS A 25 -3.401 -4.243 -9.306 1.00 0.00 C ATOM 332 C LYS A 25 -2.117 -4.272 -8.469 1.00 0.00 C ATOM 333 O LYS A 25 -1.155 -3.571 -8.779 1.00 0.00 O ATOM 334 CB LYS A 25 -3.203 -4.944 -10.648 1.00 0.00 C ATOM 335 CG LYS A 25 -2.509 -6.270 -10.565 1.00 0.00 C ATOM 336 CD LYS A 25 -3.479 -7.389 -10.240 1.00 0.00 C ATOM 337 CE LYS A 25 -2.756 -8.565 -9.622 1.00 0.00 C ATOM 338 NZ LYS A 25 -1.894 -9.269 -10.613 1.00 0.00 N ATOM 0 H LYS A 25 -3.411 -2.498 -10.430 1.00 0.00 H new ATOM 0 HA LYS A 25 -4.180 -4.762 -8.747 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -4.177 -5.088 -11.115 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -2.629 -4.289 -11.304 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -2.013 -6.482 -11.512 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -1.733 -6.228 -9.801 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -4.244 -7.025 -9.554 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -3.991 -7.708 -11.148 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -2.144 -8.218 -8.790 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -3.484 -9.265 -9.212 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -1.482 -10.117 -10.174 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -2.467 -9.548 -11.435 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -1.131 -8.634 -10.922 1.00 0.00 H new ATOM 348 N ILE A 26 -2.101 -5.084 -7.417 1.00 0.00 N ATOM 349 CA ILE A 26 -0.928 -5.208 -6.553 1.00 0.00 C ATOM 350 C ILE A 26 -0.511 -6.675 -6.509 1.00 0.00 C ATOM 351 O ILE A 26 -1.348 -7.553 -6.348 1.00 0.00 O ATOM 352 CB ILE A 26 -1.242 -4.713 -5.124 1.00 0.00 C ATOM 353 CG1 ILE A 26 -1.612 -3.228 -5.149 1.00 0.00 C ATOM 354 CG2 ILE A 26 -0.057 -4.949 -4.195 1.00 0.00 C ATOM 355 CD1 ILE A 26 -2.692 -2.850 -4.159 1.00 0.00 C ATOM 0 H ILE A 26 -2.889 -5.669 -7.140 1.00 0.00 H new ATOM 0 HA ILE A 26 -0.121 -4.595 -6.953 1.00 0.00 H new ATOM 0 HB ILE A 26 -2.091 -5.281 -4.743 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -0.720 -2.637 -4.942 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -1.944 -2.963 -6.153 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -0.302 -4.592 -3.195 1.00 0.00 H new ATOM 0 HG22 ILE A 26 0.168 -6.015 -4.155 1.00 0.00 H new ATOM 0 HG23 ILE A 26 0.812 -4.409 -4.570 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -2.899 -1.783 -4.236 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -3.600 -3.413 -4.378 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -2.356 -3.082 -3.148 1.00 0.00 H new ATOM 366 N ILE A 27 0.784 -6.927 -6.625 1.00 0.00 N ATOM 367 CA ILE A 27 1.286 -8.298 -6.663 1.00 0.00 C ATOM 368 C ILE A 27 2.530 -8.481 -5.808 1.00 0.00 C ATOM 369 O ILE A 27 3.082 -7.524 -5.266 1.00 0.00 O ATOM 370 CB ILE A 27 1.531 -8.738 -8.123 1.00 0.00 C ATOM 371 CG1 ILE A 27 2.478 -7.785 -8.851 1.00 0.00 C ATOM 372 CG2 ILE A 27 0.211 -8.836 -8.869 1.00 0.00 C ATOM 373 CD1 ILE A 27 3.277 -8.463 -9.940 1.00 0.00 C ATOM 0 H ILE A 27 1.504 -6.208 -6.694 1.00 0.00 H new ATOM 0 HA ILE A 27 0.521 -8.943 -6.231 1.00 0.00 H new ATOM 0 HB ILE A 27 2.005 -9.719 -8.097 1.00 0.00 H new ATOM 0 HG12 ILE A 27 1.900 -6.970 -9.286 1.00 0.00 H new ATOM 0 HG13 ILE A 27 3.163 -7.340 -8.129 1.00 0.00 H new ATOM 0 HG21 ILE A 27 0.396 -9.147 -9.897 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -0.431 -9.568 -8.379 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -0.281 -7.863 -8.867 1.00 0.00 H new ATOM 0 HD11 ILE A 27 3.930 -7.734 -10.419 1.00 0.00 H new ATOM 0 HD12 ILE A 27 3.880 -9.261 -9.506 1.00 0.00 H new ATOM 0 HD13 ILE A 27 2.598 -8.884 -10.681 1.00 0.00 H new ATOM 384 N ASN A 28 2.934 -9.740 -5.674 1.00 0.00 N ATOM 385 CA ASN A 28 4.069 -10.114 -4.861 1.00 0.00 C ATOM 386 C ASN A 28 3.841 -9.625 -3.455 1.00 0.00 C ATOM 387 O ASN A 28 4.726 -9.053 -2.818 1.00 0.00 O ATOM 388 CB ASN A 28 5.397 -9.583 -5.399 1.00 0.00 C ATOM 389 CG ASN A 28 5.637 -9.969 -6.842 1.00 0.00 C ATOM 390 OD1 ASN A 28 4.939 -9.305 -7.745 1.00 0.00 O flip ATOM 391 ND2 ASN A 28 6.441 -10.853 -7.139 1.00 0.00 N flip ATOM 0 H ASN A 28 2.476 -10.528 -6.132 1.00 0.00 H new ATOM 0 HA ASN A 28 4.148 -11.201 -4.883 1.00 0.00 H new ATOM 0 HB2 ASN A 28 5.412 -8.497 -5.310 1.00 0.00 H new ATOM 0 HB3 ASN A 28 6.212 -9.965 -4.784 1.00 0.00 H new ATOM 0 HD21 ASN A 28 6.958 -11.339 -6.406 1.00 0.00 H new ATOM 0 HD22 ASN A 28 6.590 -11.099 -8.118 1.00 0.00 H new ATOM 397 N ILE A 29 2.627 -9.863 -2.980 1.00 0.00 N ATOM 398 CA ILE A 29 2.248 -9.427 -1.664 1.00 0.00 C ATOM 399 C ILE A 29 2.967 -10.251 -0.614 1.00 0.00 C ATOM 400 O ILE A 29 3.111 -11.466 -0.726 1.00 0.00 O ATOM 401 CB ILE A 29 0.708 -9.475 -1.436 1.00 0.00 C ATOM 402 CG1 ILE A 29 0.025 -8.365 -2.251 1.00 0.00 C ATOM 403 CG2 ILE A 29 0.362 -9.335 0.050 1.00 0.00 C ATOM 404 CD1 ILE A 29 -1.432 -8.127 -1.889 1.00 0.00 C ATOM 0 H ILE A 29 1.896 -10.356 -3.493 1.00 0.00 H new ATOM 0 HA ILE A 29 2.546 -8.383 -1.573 1.00 0.00 H new ATOM 0 HB ILE A 29 0.342 -10.445 -1.773 1.00 0.00 H new ATOM 0 HG12 ILE A 29 0.578 -7.436 -2.112 1.00 0.00 H new ATOM 0 HG13 ILE A 29 0.087 -8.617 -3.310 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -0.720 -9.372 0.177 1.00 0.00 H new ATOM 0 HG22 ILE A 29 0.821 -10.150 0.609 1.00 0.00 H new ATOM 0 HG23 ILE A 29 0.738 -8.383 0.423 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -1.836 -7.328 -2.511 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -2.002 -9.041 -2.056 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -1.504 -7.841 -0.840 1.00 0.00 H new ATOM 415 N GLU A 30 3.378 -9.568 0.419 1.00 0.00 N ATOM 416 CA GLU A 30 4.031 -10.231 1.520 1.00 0.00 C ATOM 417 C GLU A 30 3.514 -9.665 2.813 1.00 0.00 C ATOM 418 O GLU A 30 2.933 -8.594 2.815 1.00 0.00 O ATOM 419 CB GLU A 30 5.555 -10.157 1.399 1.00 0.00 C ATOM 420 CG GLU A 30 6.055 -10.255 -0.038 1.00 0.00 C ATOM 421 CD GLU A 30 7.374 -10.995 -0.146 1.00 0.00 C ATOM 422 OE1 GLU A 30 8.091 -11.083 0.873 1.00 0.00 O ATOM 423 OE2 GLU A 30 7.692 -11.484 -1.250 1.00 0.00 O ATOM 0 H GLU A 30 3.275 -8.559 0.524 1.00 0.00 H new ATOM 0 HA GLU A 30 3.792 -11.294 1.499 1.00 0.00 H new ATOM 0 HB2 GLU A 30 5.901 -9.219 1.833 1.00 0.00 H new ATOM 0 HB3 GLU A 30 5.998 -10.962 1.985 1.00 0.00 H new ATOM 0 HG2 GLU A 30 5.306 -10.763 -0.646 1.00 0.00 H new ATOM 0 HG3 GLU A 30 6.171 -9.252 -0.448 1.00 0.00 H new ATOM 428 N PHE A 31 3.786 -10.332 3.919 1.00 0.00 N ATOM 429 CA PHE A 31 3.251 -9.843 5.180 1.00 0.00 C ATOM 430 C PHE A 31 4.318 -9.284 6.105 1.00 0.00 C ATOM 431 O PHE A 31 4.615 -9.839 7.163 1.00 0.00 O ATOM 432 CB PHE A 31 2.417 -10.943 5.838 1.00 0.00 C ATOM 433 CG PHE A 31 1.311 -11.430 4.930 1.00 0.00 C ATOM 434 CD1 PHE A 31 0.152 -10.681 4.752 1.00 0.00 C ATOM 435 CD2 PHE A 31 1.441 -12.620 4.231 1.00 0.00 C ATOM 436 CE1 PHE A 31 -0.852 -11.110 3.903 1.00 0.00 C ATOM 437 CE2 PHE A 31 0.442 -13.054 3.376 1.00 0.00 C ATOM 438 CZ PHE A 31 -0.705 -12.299 3.212 1.00 0.00 C ATOM 0 H PHE A 31 4.350 -11.180 3.975 1.00 0.00 H new ATOM 0 HA PHE A 31 2.602 -8.993 4.967 1.00 0.00 H new ATOM 0 HB2 PHE A 31 3.064 -11.779 6.104 1.00 0.00 H new ATOM 0 HB3 PHE A 31 1.986 -10.566 6.766 1.00 0.00 H new ATOM 0 HD1 PHE A 31 0.034 -9.749 5.286 1.00 0.00 H new ATOM 0 HD2 PHE A 31 2.333 -13.216 4.355 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -1.747 -10.519 3.780 1.00 0.00 H new ATOM 0 HE2 PHE A 31 0.559 -13.983 2.837 1.00 0.00 H new ATOM 0 HZ PHE A 31 -1.485 -12.637 2.546 1.00 0.00 H new ATOM 447 N VAL A 32 4.886 -8.167 5.669 1.00 0.00 N ATOM 448 CA VAL A 32 5.886 -7.442 6.433 1.00 0.00 C ATOM 449 C VAL A 32 5.305 -7.088 7.801 1.00 0.00 C ATOM 450 O VAL A 32 6.006 -7.171 8.808 1.00 0.00 O ATOM 451 CB VAL A 32 6.280 -6.146 5.670 1.00 0.00 C ATOM 452 CG1 VAL A 32 7.110 -6.486 4.444 1.00 0.00 C ATOM 453 CG2 VAL A 32 5.031 -5.364 5.281 1.00 0.00 C ATOM 0 H VAL A 32 4.663 -7.739 4.771 1.00 0.00 H new ATOM 0 HA VAL A 32 6.775 -8.059 6.565 1.00 0.00 H new ATOM 0 HB VAL A 32 6.885 -5.521 6.327 1.00 0.00 H new ATOM 0 HG11 VAL A 32 7.378 -5.568 3.920 1.00 0.00 H new ATOM 0 HG12 VAL A 32 8.017 -7.007 4.752 1.00 0.00 H new ATOM 0 HG13 VAL A 32 6.531 -7.127 3.779 1.00 0.00 H new ATOM 0 HG21 VAL A 32 5.320 -4.459 4.747 1.00 0.00 H new ATOM 0 HG22 VAL A 32 4.402 -5.979 4.638 1.00 0.00 H new ATOM 0 HG23 VAL A 32 4.476 -5.094 6.180 1.00 0.00 H new ATOM 463 N ASP A 33 4.037 -6.695 7.853 1.00 0.00 N ATOM 464 CA ASP A 33 3.381 -6.422 9.128 1.00 0.00 C ATOM 465 C ASP A 33 1.946 -6.949 9.099 1.00 0.00 C ATOM 466 O ASP A 33 1.357 -7.066 8.034 1.00 0.00 O ATOM 467 CB ASP A 33 3.444 -4.946 9.477 1.00 0.00 C ATOM 468 CG ASP A 33 4.456 -4.694 10.572 1.00 0.00 C ATOM 469 OD1 ASP A 33 5.662 -4.604 10.258 1.00 0.00 O ATOM 470 OD2 ASP A 33 4.044 -4.585 11.746 1.00 0.00 O ATOM 0 H ASP A 33 3.445 -6.559 7.033 1.00 0.00 H new ATOM 0 HA ASP A 33 3.915 -6.948 9.919 1.00 0.00 H new ATOM 0 HB2 ASP A 33 3.710 -4.370 8.591 1.00 0.00 H new ATOM 0 HB3 ASP A 33 2.461 -4.602 9.798 1.00 0.00 H new ATOM 474 N ASP A 34 1.380 -7.259 10.265 1.00 0.00 N ATOM 475 CA ASP A 34 0.001 -7.754 10.335 1.00 0.00 C ATOM 476 C ASP A 34 -0.940 -6.805 9.598 1.00 0.00 C ATOM 477 O ASP A 34 -1.752 -7.218 8.769 1.00 0.00 O ATOM 478 CB ASP A 34 -0.441 -7.900 11.793 1.00 0.00 C ATOM 479 CG ASP A 34 0.048 -9.190 12.420 1.00 0.00 C ATOM 480 OD1 ASP A 34 1.241 -9.259 12.785 1.00 0.00 O ATOM 481 OD2 ASP A 34 -0.762 -10.132 12.547 1.00 0.00 O ATOM 0 H ASP A 34 1.848 -7.178 11.168 1.00 0.00 H new ATOM 0 HA ASP A 34 -0.038 -8.733 9.857 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -0.066 -7.054 12.370 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -1.529 -7.864 11.845 1.00 0.00 H new ATOM 485 N ASP A 35 -0.807 -5.527 9.924 1.00 0.00 N ATOM 486 CA ASP A 35 -1.688 -4.490 9.391 1.00 0.00 C ATOM 487 C ASP A 35 -1.249 -3.914 8.056 1.00 0.00 C ATOM 488 O ASP A 35 -2.083 -3.619 7.200 1.00 0.00 O ATOM 489 CB ASP A 35 -1.795 -3.341 10.398 1.00 0.00 C ATOM 490 CG ASP A 35 -2.343 -3.795 11.737 1.00 0.00 C ATOM 491 OD1 ASP A 35 -1.647 -4.563 12.434 1.00 0.00 O ATOM 492 OD2 ASP A 35 -3.469 -3.382 12.088 1.00 0.00 O ATOM 0 H ASP A 35 -0.091 -5.178 10.561 1.00 0.00 H new ATOM 0 HA ASP A 35 -2.647 -4.980 9.224 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -0.811 -2.896 10.543 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -2.440 -2.563 9.990 1.00 0.00 H new ATOM 496 N TRP A 36 0.051 -3.753 7.872 1.00 0.00 N ATOM 497 CA TRP A 36 0.565 -3.302 6.586 1.00 0.00 C ATOM 498 C TRP A 36 1.369 -4.420 5.940 1.00 0.00 C ATOM 499 O TRP A 36 2.390 -4.829 6.494 1.00 0.00 O ATOM 500 CB TRP A 36 1.462 -2.089 6.758 1.00 0.00 C ATOM 501 CG TRP A 36 0.728 -0.864 7.167 1.00 0.00 C ATOM 502 CD1 TRP A 36 0.166 -0.630 8.379 1.00 0.00 C ATOM 503 CD2 TRP A 36 0.465 0.293 6.365 1.00 0.00 C ATOM 504 NE1 TRP A 36 -0.425 0.605 8.396 1.00 0.00 N ATOM 505 CE2 TRP A 36 -0.259 1.191 7.169 1.00 0.00 C ATOM 506 CE3 TRP A 36 0.775 0.656 5.047 1.00 0.00 C ATOM 507 CZ2 TRP A 36 -0.683 2.430 6.706 1.00 0.00 C ATOM 508 CZ3 TRP A 36 0.347 1.896 4.584 1.00 0.00 C ATOM 509 CH2 TRP A 36 -0.374 2.765 5.419 1.00 0.00 C ATOM 0 H TRP A 36 0.762 -3.924 8.584 1.00 0.00 H new ATOM 0 HA TRP A 36 -0.281 -3.031 5.955 1.00 0.00 H new ATOM 0 HB2 TRP A 36 2.224 -2.313 7.505 1.00 0.00 H new ATOM 0 HB3 TRP A 36 1.982 -1.895 5.820 1.00 0.00 H new ATOM 0 HD1 TRP A 36 0.182 -1.319 9.211 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -0.909 1.020 9.192 1.00 0.00 H new ATOM 0 HE3 TRP A 36 1.333 -0.011 4.406 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -1.237 3.105 7.342 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 0.572 2.194 3.571 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -0.692 3.722 5.033 1.00 0.00 H new ATOM 519 N TRP A 37 0.948 -4.933 4.783 1.00 0.00 N ATOM 520 CA TRP A 37 1.660 -5.985 4.072 1.00 0.00 C ATOM 521 C TRP A 37 2.437 -5.317 2.958 1.00 0.00 C ATOM 522 O TRP A 37 2.204 -4.145 2.672 1.00 0.00 O ATOM 523 CB TRP A 37 0.666 -7.024 3.537 1.00 0.00 C ATOM 524 CG TRP A 37 -0.551 -7.201 4.373 1.00 0.00 C ATOM 525 CD1 TRP A 37 -0.586 -7.490 5.698 1.00 0.00 C ATOM 526 CD2 TRP A 37 -1.906 -7.126 3.936 1.00 0.00 C ATOM 527 NE1 TRP A 37 -1.879 -7.612 6.119 1.00 0.00 N ATOM 528 CE2 TRP A 37 -2.713 -7.389 5.055 1.00 0.00 C ATOM 529 CE3 TRP A 37 -2.516 -6.860 2.707 1.00 0.00 C ATOM 530 CZ2 TRP A 37 -4.096 -7.401 4.983 1.00 0.00 C ATOM 531 CZ3 TRP A 37 -3.894 -6.867 2.636 1.00 0.00 C ATOM 532 CH2 TRP A 37 -4.674 -7.138 3.769 1.00 0.00 C ATOM 0 H TRP A 37 0.097 -4.625 4.313 1.00 0.00 H new ATOM 0 HA TRP A 37 2.346 -6.521 4.728 1.00 0.00 H new ATOM 0 HB2 TRP A 37 0.362 -6.733 2.532 1.00 0.00 H new ATOM 0 HB3 TRP A 37 1.175 -7.984 3.451 1.00 0.00 H new ATOM 0 HD1 TRP A 37 0.283 -7.607 6.328 1.00 0.00 H new ATOM 0 HE1 TRP A 37 -2.175 -7.833 7.070 1.00 0.00 H new ATOM 0 HE3 TRP A 37 -1.921 -6.653 1.830 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 -4.699 -7.611 5.854 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 -4.379 -6.661 1.693 1.00 0.00 H new ATOM 0 HH2 TRP A 37 -5.751 -7.139 3.683 1.00 0.00 H new ATOM 542 N LEU A 38 3.345 -6.037 2.301 1.00 0.00 N ATOM 543 CA LEU A 38 4.149 -5.434 1.262 1.00 0.00 C ATOM 544 C LEU A 38 3.714 -5.890 -0.113 1.00 0.00 C ATOM 545 O LEU A 38 3.146 -6.959 -0.272 1.00 0.00 O ATOM 546 CB LEU A 38 5.634 -5.754 1.530 1.00 0.00 C ATOM 547 CG LEU A 38 6.327 -6.691 0.523 1.00 0.00 C ATOM 548 CD1 LEU A 38 6.554 -5.968 -0.793 1.00 0.00 C ATOM 549 CD2 LEU A 38 7.642 -7.210 1.086 1.00 0.00 C ATOM 0 H LEU A 38 3.534 -7.024 2.473 1.00 0.00 H new ATOM 0 HA LEU A 38 4.010 -4.353 1.281 1.00 0.00 H new ATOM 0 HB2 LEU A 38 6.186 -4.814 1.558 1.00 0.00 H new ATOM 0 HB3 LEU A 38 5.714 -6.200 2.522 1.00 0.00 H new ATOM 0 HG LEU A 38 5.678 -7.547 0.342 1.00 0.00 H new ATOM 0 HD11 LEU A 38 7.044 -6.640 -1.497 1.00 0.00 H new ATOM 0 HD12 LEU A 38 5.596 -5.649 -1.203 1.00 0.00 H new ATOM 0 HD13 LEU A 38 7.185 -5.095 -0.625 1.00 0.00 H new ATOM 0 HD21 LEU A 38 8.114 -7.870 0.358 1.00 0.00 H new ATOM 0 HD22 LEU A 38 8.304 -6.370 1.298 1.00 0.00 H new ATOM 0 HD23 LEU A 38 7.451 -7.762 2.006 1.00 0.00 H new ATOM 560 N GLY A 39 3.981 -5.037 -1.088 1.00 0.00 N ATOM 561 CA GLY A 39 3.577 -5.398 -2.427 1.00 0.00 C ATOM 562 C GLY A 39 4.604 -5.212 -3.526 1.00 0.00 C ATOM 563 O GLY A 39 5.805 -5.062 -3.306 1.00 0.00 O ATOM 0 H GLY A 39 4.451 -4.137 -0.985 1.00 0.00 H new ATOM 0 HA2 GLY A 39 3.274 -6.445 -2.419 1.00 0.00 H new ATOM 0 HA3 GLY A 39 2.694 -4.813 -2.685 1.00 0.00 H new ATOM 567 N GLU A 40 4.043 -5.230 -4.724 1.00 0.00 N ATOM 568 CA GLU A 40 4.732 -5.030 -5.993 1.00 0.00 C ATOM 569 C GLU A 40 3.620 -4.732 -6.978 1.00 0.00 C ATOM 570 O GLU A 40 2.766 -5.576 -7.175 1.00 0.00 O ATOM 571 CB GLU A 40 5.524 -6.262 -6.423 1.00 0.00 C ATOM 572 CG GLU A 40 6.768 -6.510 -5.583 1.00 0.00 C ATOM 573 CD GLU A 40 7.827 -7.299 -6.328 1.00 0.00 C ATOM 574 OE1 GLU A 40 7.496 -7.900 -7.372 1.00 0.00 O ATOM 575 OE2 GLU A 40 8.989 -7.313 -5.870 1.00 0.00 O ATOM 0 H GLU A 40 3.044 -5.393 -4.846 1.00 0.00 H new ATOM 0 HA GLU A 40 5.469 -4.229 -5.927 1.00 0.00 H new ATOM 0 HB2 GLU A 40 4.877 -7.137 -6.366 1.00 0.00 H new ATOM 0 HB3 GLU A 40 5.817 -6.149 -7.467 1.00 0.00 H new ATOM 0 HG2 GLU A 40 7.186 -5.554 -5.269 1.00 0.00 H new ATOM 0 HG3 GLU A 40 6.489 -7.049 -4.677 1.00 0.00 H new ATOM 580 N LEU A 41 3.584 -3.574 -7.590 1.00 0.00 N ATOM 581 CA LEU A 41 2.477 -3.314 -8.500 1.00 0.00 C ATOM 582 C LEU A 41 2.669 -3.988 -9.844 1.00 0.00 C ATOM 583 O LEU A 41 3.670 -3.812 -10.508 1.00 0.00 O ATOM 584 CB LEU A 41 2.189 -1.823 -8.663 1.00 0.00 C ATOM 585 CG LEU A 41 1.952 -1.047 -7.366 1.00 0.00 C ATOM 586 CD1 LEU A 41 1.864 0.446 -7.651 1.00 0.00 C ATOM 587 CD2 LEU A 41 0.685 -1.528 -6.678 1.00 0.00 C ATOM 0 H LEU A 41 4.268 -2.824 -7.489 1.00 0.00 H new ATOM 0 HA LEU A 41 1.597 -3.759 -8.035 1.00 0.00 H new ATOM 0 HB2 LEU A 41 3.026 -1.366 -9.191 1.00 0.00 H new ATOM 0 HB3 LEU A 41 1.311 -1.709 -9.299 1.00 0.00 H new ATOM 0 HG LEU A 41 2.795 -1.227 -6.699 1.00 0.00 H new ATOM 0 HD11 LEU A 41 1.695 0.985 -6.719 1.00 0.00 H new ATOM 0 HD12 LEU A 41 2.796 0.786 -8.103 1.00 0.00 H new ATOM 0 HD13 LEU A 41 1.038 0.638 -8.336 1.00 0.00 H new ATOM 0 HD21 LEU A 41 0.534 -0.964 -5.758 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -0.168 -1.378 -7.340 1.00 0.00 H new ATOM 0 HD23 LEU A 41 0.779 -2.588 -6.442 1.00 0.00 H new ATOM 598 N GLU A 42 1.733 -4.837 -10.210 1.00 0.00 N ATOM 599 CA GLU A 42 1.814 -5.514 -11.487 1.00 0.00 C ATOM 600 C GLU A 42 1.879 -4.483 -12.611 1.00 0.00 C ATOM 601 O GLU A 42 2.578 -4.678 -13.606 1.00 0.00 O ATOM 602 CB GLU A 42 0.609 -6.447 -11.653 1.00 0.00 C ATOM 603 CG GLU A 42 0.176 -6.696 -13.093 1.00 0.00 C ATOM 604 CD GLU A 42 -0.875 -7.782 -13.210 1.00 0.00 C ATOM 605 OE1 GLU A 42 -0.560 -8.949 -12.895 1.00 0.00 O ATOM 606 OE2 GLU A 42 -2.012 -7.467 -13.617 1.00 0.00 O ATOM 0 H GLU A 42 0.915 -5.074 -9.648 1.00 0.00 H new ATOM 0 HA GLU A 42 2.719 -6.119 -11.530 1.00 0.00 H new ATOM 0 HB2 GLU A 42 0.845 -7.405 -11.190 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -0.234 -6.027 -11.104 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -0.216 -5.771 -13.515 1.00 0.00 H new ATOM 0 HG3 GLU A 42 1.047 -6.974 -13.687 1.00 0.00 H new ATOM 611 N LYS A 43 1.144 -3.386 -12.442 1.00 0.00 N ATOM 612 CA LYS A 43 1.100 -2.354 -13.466 1.00 0.00 C ATOM 613 C LYS A 43 2.411 -1.555 -13.559 1.00 0.00 C ATOM 614 O LYS A 43 2.869 -1.265 -14.665 1.00 0.00 O ATOM 615 CB LYS A 43 -0.138 -1.457 -13.274 1.00 0.00 C ATOM 616 CG LYS A 43 0.116 -0.112 -12.610 1.00 0.00 C ATOM 617 CD LYS A 43 -0.993 0.229 -11.630 1.00 0.00 C ATOM 618 CE LYS A 43 -0.567 -0.061 -10.206 1.00 0.00 C ATOM 619 NZ LYS A 43 -1.320 -1.205 -9.635 1.00 0.00 N ATOM 0 H LYS A 43 0.579 -3.193 -11.615 1.00 0.00 H new ATOM 0 HA LYS A 43 1.000 -2.847 -14.433 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -0.590 -1.280 -14.250 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -0.870 -2.003 -12.678 1.00 0.00 H new ATOM 0 HG2 LYS A 43 1.073 -0.135 -12.088 1.00 0.00 H new ATOM 0 HG3 LYS A 43 0.186 0.666 -13.371 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -1.258 1.282 -11.727 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -1.886 -0.348 -11.871 1.00 0.00 H new ATOM 0 HE2 LYS A 43 0.501 -0.279 -10.182 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -0.726 0.824 -9.590 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -1.398 -1.089 -8.604 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -2.272 -1.237 -10.053 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -0.819 -2.091 -9.847 1.00 0.00 H new ATOM 629 N ASP A 44 3.025 -1.194 -12.427 1.00 0.00 N ATOM 630 CA ASP A 44 4.273 -0.403 -12.484 1.00 0.00 C ATOM 631 C ASP A 44 5.450 -1.025 -11.722 1.00 0.00 C ATOM 632 O ASP A 44 6.588 -0.576 -11.855 1.00 0.00 O ATOM 633 CB ASP A 44 4.052 1.024 -11.980 1.00 0.00 C ATOM 634 CG ASP A 44 5.190 1.950 -12.355 1.00 0.00 C ATOM 635 OD1 ASP A 44 5.713 1.823 -13.483 1.00 0.00 O ATOM 636 OD2 ASP A 44 5.562 2.803 -11.522 1.00 0.00 O ATOM 0 H ASP A 44 2.698 -1.423 -11.488 1.00 0.00 H new ATOM 0 HA ASP A 44 4.543 -0.394 -13.540 1.00 0.00 H new ATOM 0 HB2 ASP A 44 3.120 1.412 -12.392 1.00 0.00 H new ATOM 0 HB3 ASP A 44 3.940 1.011 -10.896 1.00 0.00 H new ATOM 640 N GLY A 45 5.174 -2.043 -10.932 1.00 0.00 N ATOM 641 CA GLY A 45 6.230 -2.701 -10.170 1.00 0.00 C ATOM 642 C GLY A 45 6.683 -1.953 -8.927 1.00 0.00 C ATOM 643 O GLY A 45 7.851 -2.044 -8.548 1.00 0.00 O ATOM 0 H GLY A 45 4.241 -2.433 -10.798 1.00 0.00 H new ATOM 0 HA2 GLY A 45 5.882 -3.691 -9.874 1.00 0.00 H new ATOM 0 HA3 GLY A 45 7.091 -2.848 -10.822 1.00 0.00 H new ATOM 647 N SER A 46 5.786 -1.214 -8.286 1.00 0.00 N ATOM 648 CA SER A 46 6.166 -0.482 -7.078 1.00 0.00 C ATOM 649 C SER A 46 6.018 -1.372 -5.845 1.00 0.00 C ATOM 650 O SER A 46 5.036 -2.098 -5.716 1.00 0.00 O ATOM 651 CB SER A 46 5.316 0.780 -6.931 1.00 0.00 C ATOM 652 OG SER A 46 5.563 1.689 -7.990 1.00 0.00 O ATOM 0 H SER A 46 4.813 -1.105 -8.571 1.00 0.00 H new ATOM 0 HA SER A 46 7.212 -0.187 -7.167 1.00 0.00 H new ATOM 0 HB2 SER A 46 4.260 0.511 -6.918 1.00 0.00 H new ATOM 0 HB3 SER A 46 5.535 1.260 -5.977 1.00 0.00 H new ATOM 0 HG SER A 46 5.006 2.487 -7.873 1.00 0.00 H new ATOM 657 N LYS A 47 6.977 -1.274 -4.914 1.00 0.00 N ATOM 658 CA LYS A 47 6.948 -2.089 -3.696 1.00 0.00 C ATOM 659 C LYS A 47 6.936 -1.230 -2.437 1.00 0.00 C ATOM 660 O LYS A 47 7.561 -0.170 -2.391 1.00 0.00 O ATOM 661 CB LYS A 47 8.150 -3.034 -3.600 1.00 0.00 C ATOM 662 CG LYS A 47 8.797 -3.349 -4.940 1.00 0.00 C ATOM 663 CD LYS A 47 10.017 -4.238 -4.771 1.00 0.00 C ATOM 664 CE LYS A 47 11.223 -3.432 -4.327 1.00 0.00 C ATOM 665 NZ LYS A 47 11.577 -3.700 -2.905 1.00 0.00 N ATOM 0 H LYS A 47 7.776 -0.643 -4.982 1.00 0.00 H new ATOM 0 HA LYS A 47 6.028 -2.670 -3.763 1.00 0.00 H new ATOM 0 HB2 LYS A 47 8.897 -2.589 -2.943 1.00 0.00 H new ATOM 0 HB3 LYS A 47 7.830 -3.966 -3.134 1.00 0.00 H new ATOM 0 HG2 LYS A 47 8.073 -3.842 -5.589 1.00 0.00 H new ATOM 0 HG3 LYS A 47 9.087 -2.421 -5.433 1.00 0.00 H new ATOM 0 HD2 LYS A 47 9.805 -5.016 -4.037 1.00 0.00 H new ATOM 0 HD3 LYS A 47 10.238 -4.740 -5.713 1.00 0.00 H new ATOM 0 HE2 LYS A 47 12.074 -3.671 -4.964 1.00 0.00 H new ATOM 0 HE3 LYS A 47 11.017 -2.369 -4.456 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 12.406 -3.130 -2.640 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 10.774 -3.448 -2.294 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 11.799 -4.709 -2.787 1.00 0.00 H new ATOM 675 N GLY A 48 6.223 -1.695 -1.418 1.00 0.00 N ATOM 676 CA GLY A 48 6.169 -1.004 -0.145 1.00 0.00 C ATOM 677 C GLY A 48 5.086 -1.568 0.751 1.00 0.00 C ATOM 678 O GLY A 48 4.180 -2.249 0.268 1.00 0.00 O ATOM 0 H GLY A 48 5.673 -2.553 -1.454 1.00 0.00 H new ATOM 0 HA2 GLY A 48 7.134 -1.085 0.355 1.00 0.00 H new ATOM 0 HA3 GLY A 48 5.986 0.057 -0.314 1.00 0.00 H new ATOM 682 N LEU A 49 5.163 -1.310 2.053 1.00 0.00 N ATOM 683 CA LEU A 49 4.128 -1.811 2.937 1.00 0.00 C ATOM 684 C LEU A 49 2.901 -0.971 2.707 1.00 0.00 C ATOM 685 O LEU A 49 2.929 0.237 2.867 1.00 0.00 O ATOM 686 CB LEU A 49 4.526 -1.768 4.409 1.00 0.00 C ATOM 687 CG LEU A 49 5.173 -0.474 4.884 1.00 0.00 C ATOM 688 CD1 LEU A 49 4.167 0.355 5.657 1.00 0.00 C ATOM 689 CD2 LEU A 49 6.398 -0.773 5.727 1.00 0.00 C ATOM 0 H LEU A 49 5.906 -0.775 2.503 1.00 0.00 H new ATOM 0 HA LEU A 49 3.949 -2.862 2.709 1.00 0.00 H new ATOM 0 HB2 LEU A 49 3.636 -1.950 5.012 1.00 0.00 H new ATOM 0 HB3 LEU A 49 5.216 -2.589 4.603 1.00 0.00 H new ATOM 0 HG LEU A 49 5.496 0.101 4.016 1.00 0.00 H new ATOM 0 HD11 LEU A 49 4.638 1.279 5.993 1.00 0.00 H new ATOM 0 HD12 LEU A 49 3.320 0.593 5.013 1.00 0.00 H new ATOM 0 HD13 LEU A 49 3.818 -0.210 6.522 1.00 0.00 H new ATOM 0 HD21 LEU A 49 6.849 0.162 6.059 1.00 0.00 H new ATOM 0 HD22 LEU A 49 6.107 -1.363 6.596 1.00 0.00 H new ATOM 0 HD23 LEU A 49 7.120 -1.333 5.133 1.00 0.00 H new ATOM 700 N PHE A 50 1.811 -1.604 2.375 1.00 0.00 N ATOM 701 CA PHE A 50 0.608 -0.883 2.051 1.00 0.00 C ATOM 702 C PHE A 50 -0.470 -1.134 3.074 1.00 0.00 C ATOM 703 O PHE A 50 -0.452 -2.140 3.784 1.00 0.00 O ATOM 704 CB PHE A 50 0.120 -1.258 0.647 1.00 0.00 C ATOM 705 CG PHE A 50 -0.183 -2.722 0.465 1.00 0.00 C ATOM 706 CD1 PHE A 50 0.817 -3.618 0.114 1.00 0.00 C ATOM 707 CD2 PHE A 50 -1.474 -3.197 0.632 1.00 0.00 C ATOM 708 CE1 PHE A 50 0.532 -4.962 -0.063 1.00 0.00 C ATOM 709 CE2 PHE A 50 -1.761 -4.536 0.455 1.00 0.00 C ATOM 710 CZ PHE A 50 -0.758 -5.418 0.108 1.00 0.00 C ATOM 0 H PHE A 50 1.729 -2.619 2.321 1.00 0.00 H new ATOM 0 HA PHE A 50 0.839 0.182 2.065 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -0.778 -0.683 0.422 1.00 0.00 H new ATOM 0 HB3 PHE A 50 0.878 -0.963 -0.079 1.00 0.00 H new ATOM 0 HD1 PHE A 50 1.828 -3.264 -0.023 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -2.264 -2.513 0.903 1.00 0.00 H new ATOM 0 HE1 PHE A 50 1.318 -5.651 -0.334 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -2.771 -4.893 0.588 1.00 0.00 H new ATOM 0 HZ PHE A 50 -0.983 -6.465 -0.030 1.00 0.00 H new ATOM 719 N PRO A 51 -1.432 -0.217 3.161 1.00 0.00 N ATOM 720 CA PRO A 51 -2.521 -0.332 4.092 1.00 0.00 C ATOM 721 C PRO A 51 -3.364 -1.552 3.810 1.00 0.00 C ATOM 722 O PRO A 51 -3.094 -2.340 2.904 1.00 0.00 O ATOM 723 CB PRO A 51 -3.373 0.924 3.904 1.00 0.00 C ATOM 724 CG PRO A 51 -2.547 1.847 3.077 1.00 0.00 C ATOM 725 CD PRO A 51 -1.558 0.991 2.323 1.00 0.00 C ATOM 0 HA PRO A 51 -2.141 -0.431 5.109 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -4.314 0.689 3.407 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -3.623 1.375 4.864 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -3.173 2.413 2.387 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -2.030 2.572 3.706 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -1.918 0.749 1.323 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -0.600 1.497 2.203 1.00 0.00 H new ATOM 730 N SER A 52 -4.385 -1.670 4.631 1.00 0.00 N ATOM 731 CA SER A 52 -5.278 -2.794 4.371 1.00 0.00 C ATOM 732 C SER A 52 -6.719 -2.402 4.215 1.00 0.00 C ATOM 733 O SER A 52 -7.519 -3.132 3.630 1.00 0.00 O ATOM 734 CB SER A 52 -5.029 -3.919 5.376 1.00 0.00 C ATOM 735 OG SER A 52 -6.175 -4.738 5.520 1.00 0.00 O ATOM 0 H SER A 52 -4.613 -1.065 5.420 1.00 0.00 H new ATOM 0 HA SER A 52 -5.030 -3.192 3.387 1.00 0.00 H new ATOM 0 HB2 SER A 52 -4.185 -4.525 5.047 1.00 0.00 H new ATOM 0 HB3 SER A 52 -4.758 -3.494 6.343 1.00 0.00 H new ATOM 0 HG SER A 52 -5.991 -5.627 5.150 1.00 0.00 H new ATOM 740 N ASN A 53 -7.051 -1.238 4.742 1.00 0.00 N ATOM 741 CA ASN A 53 -8.364 -0.670 4.620 1.00 0.00 C ATOM 742 C ASN A 53 -8.499 0.044 3.268 1.00 0.00 C ATOM 743 O ASN A 53 -9.594 0.124 2.711 1.00 0.00 O ATOM 744 CB ASN A 53 -8.611 0.298 5.780 1.00 0.00 C ATOM 745 CG ASN A 53 -7.831 1.591 5.641 1.00 0.00 C ATOM 746 OD1 ASN A 53 -6.793 1.633 4.981 1.00 0.00 O ATOM 747 ND2 ASN A 53 -8.324 2.652 6.269 1.00 0.00 N ATOM 0 H ASN A 53 -6.401 -0.659 5.273 1.00 0.00 H new ATOM 0 HA ASN A 53 -9.113 -1.461 4.663 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -9.675 0.525 5.837 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -8.338 -0.187 6.717 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -7.839 3.548 6.215 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -9.188 2.571 6.805 1.00 0.00 H new ATOM 753 N TYR A 54 -7.367 0.570 2.732 1.00 0.00 N ATOM 754 CA TYR A 54 -7.372 1.284 1.450 1.00 0.00 C ATOM 755 C TYR A 54 -7.412 0.281 0.276 1.00 0.00 C ATOM 756 O TYR A 54 -7.727 0.652 -0.855 1.00 0.00 O ATOM 757 CB TYR A 54 -6.143 2.215 1.282 1.00 0.00 C ATOM 758 CG TYR A 54 -6.367 3.677 1.605 1.00 0.00 C ATOM 759 CD1 TYR A 54 -6.431 4.082 2.921 1.00 0.00 C ATOM 760 CD2 TYR A 54 -6.469 4.660 0.611 1.00 0.00 C ATOM 761 CE1 TYR A 54 -6.591 5.402 3.252 1.00 0.00 C ATOM 762 CE2 TYR A 54 -6.638 5.989 0.938 1.00 0.00 C ATOM 763 CZ TYR A 54 -6.698 6.357 2.261 1.00 0.00 C ATOM 764 OH TYR A 54 -6.849 7.683 2.593 1.00 0.00 O ATOM 0 H TYR A 54 -6.449 0.508 3.173 1.00 0.00 H new ATOM 0 HA TYR A 54 -8.267 1.906 1.444 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -5.340 1.842 1.918 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -5.794 2.141 0.252 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -6.354 3.345 3.706 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -6.414 4.372 -0.428 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -6.633 5.696 4.290 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -6.723 6.734 0.161 1.00 0.00 H new ATOM 0 HH TYR A 54 -7.680 7.801 3.099 1.00 0.00 H new ATOM 773 N VAL A 55 -7.088 -1.004 0.561 1.00 0.00 N ATOM 774 CA VAL A 55 -7.034 -2.047 -0.481 1.00 0.00 C ATOM 775 C VAL A 55 -7.557 -3.409 -0.009 1.00 0.00 C ATOM 776 O VAL A 55 -7.600 -3.697 1.187 1.00 0.00 O ATOM 777 CB VAL A 55 -5.592 -2.320 -0.968 1.00 0.00 C ATOM 778 CG1 VAL A 55 -4.928 -1.041 -1.439 1.00 0.00 C ATOM 779 CG2 VAL A 55 -4.761 -3.008 0.108 1.00 0.00 C ATOM 0 H VAL A 55 -6.862 -1.337 1.498 1.00 0.00 H new ATOM 0 HA VAL A 55 -7.663 -1.641 -1.273 1.00 0.00 H new ATOM 0 HB VAL A 55 -5.653 -3.000 -1.818 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -3.915 -1.260 -1.776 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -5.501 -0.616 -2.263 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -4.890 -0.327 -0.617 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -3.753 -3.185 -0.268 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -4.712 -2.372 0.992 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -5.222 -3.960 0.371 1.00 0.00 H new ATOM 789 N SER A 56 -7.948 -4.231 -0.973 1.00 0.00 N ATOM 790 CA SER A 56 -8.442 -5.580 -0.718 1.00 0.00 C ATOM 791 C SER A 56 -7.514 -6.619 -1.361 1.00 0.00 C ATOM 792 O SER A 56 -7.007 -6.404 -2.459 1.00 0.00 O ATOM 793 CB SER A 56 -9.843 -5.723 -1.288 1.00 0.00 C ATOM 794 OG SER A 56 -10.766 -6.134 -0.296 1.00 0.00 O ATOM 0 H SER A 56 -7.932 -3.980 -1.962 1.00 0.00 H new ATOM 0 HA SER A 56 -8.466 -5.750 0.358 1.00 0.00 H new ATOM 0 HB2 SER A 56 -10.163 -4.772 -1.713 1.00 0.00 H new ATOM 0 HB3 SER A 56 -9.834 -6.449 -2.101 1.00 0.00 H new ATOM 0 HG SER A 56 -11.506 -5.493 -0.252 1.00 0.00 H new ATOM 799 N LEU A 57 -7.330 -7.758 -0.686 1.00 0.00 N ATOM 800 CA LEU A 57 -6.450 -8.809 -1.215 1.00 0.00 C ATOM 801 C LEU A 57 -7.180 -9.692 -2.215 1.00 0.00 C ATOM 802 O LEU A 57 -8.284 -10.170 -1.955 1.00 0.00 O ATOM 803 CB LEU A 57 -5.904 -9.697 -0.094 1.00 0.00 C ATOM 804 CG LEU A 57 -4.975 -9.014 0.909 1.00 0.00 C ATOM 805 CD1 LEU A 57 -4.613 -9.971 2.036 1.00 0.00 C ATOM 806 CD2 LEU A 57 -3.713 -8.518 0.219 1.00 0.00 C ATOM 0 H LEU A 57 -7.768 -7.975 0.209 1.00 0.00 H new ATOM 0 HA LEU A 57 -5.624 -8.300 -1.712 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -6.748 -10.119 0.452 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -5.368 -10.531 -0.547 1.00 0.00 H new ATOM 0 HG LEU A 57 -5.500 -8.157 1.331 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -3.951 -9.469 2.741 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -5.520 -10.286 2.551 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -4.108 -10.844 1.624 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -3.065 -8.035 0.950 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -3.188 -9.361 -0.230 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -3.981 -7.802 -0.558 1.00 0.00 H new ATOM 817 N GLY A 58 -6.551 -9.901 -3.361 1.00 0.00 N ATOM 818 CA GLY A 58 -7.140 -10.731 -4.391 1.00 0.00 C ATOM 819 C GLY A 58 -6.891 -12.212 -4.148 1.00 0.00 C ATOM 820 O GLY A 58 -7.202 -13.045 -4.999 1.00 0.00 O ATOM 0 H GLY A 58 -5.639 -9.509 -3.597 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -8.214 -10.547 -4.434 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -6.730 -10.450 -5.361 1.00 0.00 H new ATOM 824 N ASN A 59 -6.329 -12.546 -2.981 1.00 0.00 N ATOM 825 CA ASN A 59 -6.031 -13.930 -2.639 1.00 0.00 C ATOM 826 C ASN A 59 -5.678 -14.060 -1.161 1.00 0.00 C ATOM 827 O ASN A 59 -6.228 -14.909 -0.463 1.00 0.00 O ATOM 828 CB ASN A 59 -4.878 -14.450 -3.499 1.00 0.00 C ATOM 829 CG ASN A 59 -4.478 -15.867 -3.134 1.00 0.00 C ATOM 830 OD1 ASN A 59 -5.121 -16.513 -2.305 1.00 0.00 O ATOM 831 ND2 ASN A 59 -3.412 -16.359 -3.754 1.00 0.00 N ATOM 0 H ASN A 59 -6.073 -11.871 -2.260 1.00 0.00 H new ATOM 0 HA ASN A 59 -6.921 -14.528 -2.835 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -5.168 -14.416 -4.549 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -4.017 -13.791 -3.384 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -3.096 -17.307 -3.550 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -2.909 -15.789 -4.434 1.00 0.00 H new TER 837 ASN A 59 ATOM 838 N ALA B 7 -8.480 13.180 -3.800 1.00 0.00 N ATOM 839 CA ALA B 7 -9.414 13.929 -4.679 1.00 0.00 C ATOM 840 C ALA B 7 -10.859 13.472 -4.456 1.00 0.00 C ATOM 841 O ALA B 7 -11.549 14.045 -3.614 1.00 0.00 O ATOM 842 CB ALA B 7 -8.990 13.794 -6.135 1.00 0.00 C ATOM 0 HA ALA B 7 -9.371 14.987 -4.419 1.00 0.00 H new ATOM 0 HB1 ALA B 7 -9.683 14.348 -6.769 1.00 0.00 H new ATOM 0 HB2 ALA B 7 -7.984 14.195 -6.260 1.00 0.00 H new ATOM 0 HB3 ALA B 7 -8.999 12.742 -6.420 1.00 0.00 H new ATOM 850 N LYS B 6 -11.330 12.513 -5.284 1.00 0.00 N ATOM 851 CA LYS B 6 -12.693 11.952 -5.127 1.00 0.00 C ATOM 852 C LYS B 6 -13.226 12.027 -3.687 1.00 0.00 C ATOM 853 O LYS B 6 -12.465 12.119 -2.724 1.00 0.00 O ATOM 854 CB LYS B 6 -12.784 10.492 -5.594 1.00 0.00 C ATOM 855 CG LYS B 6 -12.223 9.482 -4.603 1.00 0.00 C ATOM 856 CD LYS B 6 -13.287 8.493 -4.154 1.00 0.00 C ATOM 857 CE LYS B 6 -12.774 7.064 -4.197 1.00 0.00 C ATOM 858 NZ LYS B 6 -13.759 6.140 -4.823 1.00 0.00 N ATOM 0 H LYS B 6 -10.797 12.115 -6.057 1.00 0.00 H new ATOM 0 HA LYS B 6 -13.313 12.584 -5.763 1.00 0.00 H new ATOM 0 HB2 LYS B 6 -13.829 10.250 -5.790 1.00 0.00 H new ATOM 0 HB3 LYS B 6 -12.251 10.391 -6.539 1.00 0.00 H new ATOM 0 HG2 LYS B 6 -11.394 8.943 -5.061 1.00 0.00 H new ATOM 0 HG3 LYS B 6 -11.822 10.006 -3.735 1.00 0.00 H new ATOM 0 HD2 LYS B 6 -13.606 8.736 -3.140 1.00 0.00 H new ATOM 0 HD3 LYS B 6 -14.164 8.585 -4.795 1.00 0.00 H new ATOM 0 HE2 LYS B 6 -11.839 7.031 -4.756 1.00 0.00 H new ATOM 0 HE3 LYS B 6 -12.553 6.727 -3.184 1.00 0.00 H new ATOM 0 HZ1 LYS B 6 -13.372 5.175 -4.833 1.00 0.00 H new ATOM 0 HZ2 LYS B 6 -14.643 6.152 -4.276 1.00 0.00 H new ATOM 0 HZ3 LYS B 6 -13.951 6.446 -5.798 1.00 0.00 H new ATOM 868 N LYS B 5 -14.539 11.893 -3.550 1.00 0.00 N ATOM 869 CA LYS B 5 -15.179 11.988 -2.247 1.00 0.00 C ATOM 870 C LYS B 5 -14.702 10.948 -1.239 1.00 0.00 C ATOM 871 O LYS B 5 -14.932 9.750 -1.393 1.00 0.00 O ATOM 872 CB LYS B 5 -16.702 11.944 -2.385 1.00 0.00 C ATOM 873 CG LYS B 5 -17.439 12.311 -1.106 1.00 0.00 C ATOM 874 CD LYS B 5 -18.741 13.038 -1.402 1.00 0.00 C ATOM 875 CE LYS B 5 -19.948 12.177 -1.068 1.00 0.00 C ATOM 876 NZ LYS B 5 -20.292 12.239 0.381 1.00 0.00 N ATOM 0 H LYS B 5 -15.179 11.719 -4.324 1.00 0.00 H new ATOM 0 HA LYS B 5 -14.877 12.954 -1.843 1.00 0.00 H new ATOM 0 HB2 LYS B 5 -17.007 12.626 -3.179 1.00 0.00 H new ATOM 0 HB3 LYS B 5 -17.002 10.942 -2.693 1.00 0.00 H new ATOM 0 HG2 LYS B 5 -17.648 11.407 -0.533 1.00 0.00 H new ATOM 0 HG3 LYS B 5 -16.802 12.942 -0.486 1.00 0.00 H new ATOM 0 HD2 LYS B 5 -18.782 13.963 -0.826 1.00 0.00 H new ATOM 0 HD3 LYS B 5 -18.772 13.317 -2.455 1.00 0.00 H new ATOM 0 HE2 LYS B 5 -20.803 12.506 -1.658 1.00 0.00 H new ATOM 0 HE3 LYS B 5 -19.745 11.144 -1.349 1.00 0.00 H new ATOM 0 HZ1 LYS B 5 -21.120 11.638 0.567 1.00 0.00 H new ATOM 0 HZ2 LYS B 5 -19.486 11.901 0.944 1.00 0.00 H new ATOM 0 HZ3 LYS B 5 -20.510 13.221 0.644 1.00 0.00 H new ATOM 886 N THR B 4 -14.071 11.469 -0.186 1.00 0.00 N ATOM 887 CA THR B 4 -13.556 10.699 0.944 1.00 0.00 C ATOM 888 C THR B 4 -12.795 9.423 0.586 1.00 0.00 C ATOM 889 O THR B 4 -12.972 8.815 -0.467 1.00 0.00 O ATOM 890 CB THR B 4 -14.687 10.335 1.924 1.00 0.00 C ATOM 891 OG1 THR B 4 -15.909 10.961 1.516 1.00 0.00 O ATOM 892 CG2 THR B 4 -14.339 10.767 3.340 1.00 0.00 C ATOM 0 H THR B 4 -13.899 12.470 -0.094 1.00 0.00 H new ATOM 0 HA THR B 4 -12.830 11.370 1.402 1.00 0.00 H new ATOM 0 HB THR B 4 -14.811 9.252 1.913 1.00 0.00 H new ATOM 0 HG1 THR B 4 -16.624 10.723 2.143 1.00 0.00 H new ATOM 0 HG21 THR B 4 -15.154 10.499 4.013 1.00 0.00 H new ATOM 0 HG22 THR B 4 -13.425 10.266 3.659 1.00 0.00 H new ATOM 0 HG23 THR B 4 -14.189 11.846 3.365 1.00 0.00 H new ATOM 900 N LYS B 3 -11.922 9.056 1.517 1.00 0.00 N ATOM 901 CA LYS B 3 -11.121 7.841 1.428 1.00 0.00 C ATOM 902 C LYS B 3 -10.828 7.376 2.836 1.00 0.00 C ATOM 903 O LYS B 3 -10.643 8.201 3.730 1.00 0.00 O ATOM 904 CB LYS B 3 -9.772 8.072 0.707 1.00 0.00 C ATOM 905 CG LYS B 3 -9.567 9.484 0.180 1.00 0.00 C ATOM 906 CD LYS B 3 -8.751 9.482 -1.080 1.00 0.00 C ATOM 907 CE LYS B 3 -9.525 8.853 -2.189 1.00 0.00 C ATOM 908 NZ LYS B 3 -9.359 9.600 -3.467 1.00 0.00 N ATOM 0 H LYS B 3 -11.749 9.599 2.363 1.00 0.00 H new ATOM 0 HA LYS B 3 -11.684 7.105 0.854 1.00 0.00 H new ATOM 0 HB2 LYS B 3 -8.962 7.835 1.396 1.00 0.00 H new ATOM 0 HB3 LYS B 3 -9.696 7.373 -0.126 1.00 0.00 H new ATOM 0 HG2 LYS B 3 -10.535 9.947 -0.012 1.00 0.00 H new ATOM 0 HG3 LYS B 3 -9.069 10.089 0.938 1.00 0.00 H new ATOM 0 HD2 LYS B 3 -8.479 10.503 -1.349 1.00 0.00 H new ATOM 0 HD3 LYS B 3 -7.821 8.937 -0.920 1.00 0.00 H new ATOM 0 HE2 LYS B 3 -9.196 7.823 -2.324 1.00 0.00 H new ATOM 0 HE3 LYS B 3 -10.581 8.818 -1.922 1.00 0.00 H new ATOM 0 HZ1 LYS B 3 -9.610 8.982 -4.265 1.00 0.00 H new ATOM 0 HZ2 LYS B 3 -9.981 10.434 -3.465 1.00 0.00 H new ATOM 0 HZ3 LYS B 3 -8.370 9.906 -3.564 1.00 0.00 H new ATOM 918 N PRO B 2 -10.774 6.065 3.079 1.00 0.00 N ATOM 919 CA PRO B 2 -10.444 5.559 4.406 1.00 0.00 C ATOM 920 C PRO B 2 -9.209 6.288 4.927 1.00 0.00 C ATOM 921 O PRO B 2 -8.514 6.936 4.153 1.00 0.00 O ATOM 922 CB PRO B 2 -10.114 4.092 4.138 1.00 0.00 C ATOM 923 CG PRO B 2 -10.915 3.734 2.930 1.00 0.00 C ATOM 924 CD PRO B 2 -11.024 4.990 2.105 1.00 0.00 C ATOM 0 HA PRO B 2 -11.236 5.693 5.143 1.00 0.00 H new ATOM 0 HB2 PRO B 2 -9.048 3.953 3.961 1.00 0.00 H new ATOM 0 HB3 PRO B 2 -10.380 3.465 4.989 1.00 0.00 H new ATOM 0 HG2 PRO B 2 -10.430 2.938 2.364 1.00 0.00 H new ATOM 0 HG3 PRO B 2 -11.902 3.368 3.213 1.00 0.00 H new ATOM 0 HD2 PRO B 2 -10.293 5.003 1.296 1.00 0.00 H new ATOM 0 HD3 PRO B 2 -12.008 5.085 1.647 1.00 0.00 H new ATOM 929 N THR B 1 -8.962 6.251 6.217 1.00 0.00 N ATOM 930 CA THR B 1 -7.768 6.889 6.750 1.00 0.00 C ATOM 931 C THR B 1 -6.686 5.838 6.925 1.00 0.00 C ATOM 932 O THR B 1 -6.889 4.877 7.668 1.00 0.00 O ATOM 933 CB THR B 1 -8.044 7.572 8.104 1.00 0.00 C ATOM 934 OG1 THR B 1 -9.217 8.389 8.011 1.00 0.00 O ATOM 935 CG2 THR B 1 -6.860 8.426 8.530 1.00 0.00 C ATOM 0 H THR B 1 -9.556 5.796 6.910 1.00 0.00 H new ATOM 0 HA THR B 1 -7.447 7.658 6.048 1.00 0.00 H new ATOM 0 HB THR B 1 -8.201 6.795 8.852 1.00 0.00 H new ATOM 0 HG1 THR B 1 -9.386 8.818 8.876 1.00 0.00 H new ATOM 0 HG21 THR B 1 -7.078 8.898 9.488 1.00 0.00 H new ATOM 0 HG22 THR B 1 -5.975 7.798 8.628 1.00 0.00 H new ATOM 0 HG23 THR B 1 -6.678 9.195 7.780 1.00 0.00 H new ATOM 943 N PRO B 0 -5.515 5.970 6.258 1.00 0.00 N ATOM 944 CA PRO B 0 -4.459 4.962 6.388 1.00 0.00 C ATOM 945 C PRO B 0 -4.237 4.634 7.857 1.00 0.00 C ATOM 946 O PRO B 0 -3.660 5.429 8.599 1.00 0.00 O ATOM 947 CB PRO B 0 -3.257 5.649 5.737 1.00 0.00 C ATOM 948 CG PRO B 0 -3.900 6.478 4.683 1.00 0.00 C ATOM 949 CD PRO B 0 -5.086 7.089 5.381 1.00 0.00 C ATOM 0 HA PRO B 0 -4.679 4.003 5.918 1.00 0.00 H new ATOM 0 HB2 PRO B 0 -2.701 6.257 6.450 1.00 0.00 H new ATOM 0 HB3 PRO B 0 -2.555 4.929 5.317 1.00 0.00 H new ATOM 0 HG2 PRO B 0 -3.221 7.242 4.305 1.00 0.00 H new ATOM 0 HG3 PRO B 0 -4.206 5.873 3.829 1.00 0.00 H new ATOM 0 HD2 PRO B 0 -4.815 7.977 5.951 1.00 0.00 H new ATOM 0 HD3 PRO B 0 -5.867 7.386 4.681 1.00 0.00 H new ATOM 954 N PRO B -1 -4.693 3.448 8.297 1.00 0.00 N ATOM 955 CA PRO B -1 -4.610 3.062 9.697 1.00 0.00 C ATOM 956 C PRO B -1 -3.212 3.217 10.244 1.00 0.00 C ATOM 957 O PRO B -1 -2.257 3.382 9.485 1.00 0.00 O ATOM 958 CB PRO B -1 -5.036 1.587 9.721 1.00 0.00 C ATOM 959 CG PRO B -1 -5.031 1.136 8.300 1.00 0.00 C ATOM 960 CD PRO B -1 -5.238 2.367 7.459 1.00 0.00 C ATOM 0 HA PRO B -1 -5.242 3.694 10.321 1.00 0.00 H new ATOM 0 HB2 PRO B -1 -4.348 0.992 10.322 1.00 0.00 H new ATOM 0 HB3 PRO B -1 -6.026 1.474 10.163 1.00 0.00 H new ATOM 0 HG2 PRO B -1 -4.088 0.650 8.051 1.00 0.00 H new ATOM 0 HG3 PRO B -1 -5.822 0.407 8.122 1.00 0.00 H new ATOM 0 HD2 PRO B -1 -4.715 2.295 6.506 1.00 0.00 H new ATOM 0 HD3 PRO B -1 -6.292 2.527 7.233 1.00 0.00 H new ATOM 965 N PRO B -2 -3.074 3.189 11.580 1.00 0.00 N ATOM 966 CA PRO B -2 -1.779 3.289 12.243 1.00 0.00 C ATOM 967 C PRO B -2 -0.713 2.527 11.472 1.00 0.00 C ATOM 968 O PRO B -2 -1.034 1.664 10.655 1.00 0.00 O ATOM 969 CB PRO B -2 -2.048 2.564 13.556 1.00 0.00 C ATOM 970 CG PRO B -2 -3.468 2.887 13.877 1.00 0.00 C ATOM 971 CD PRO B -2 -4.176 3.050 12.556 1.00 0.00 C ATOM 0 HA PRO B -2 -1.423 4.314 12.341 1.00 0.00 H new ATOM 0 HB2 PRO B -2 -1.899 1.489 13.454 1.00 0.00 H new ATOM 0 HB3 PRO B -2 -1.376 2.906 14.343 1.00 0.00 H new ATOM 0 HG2 PRO B -2 -3.924 2.091 14.466 1.00 0.00 H new ATOM 0 HG3 PRO B -2 -3.535 3.800 14.469 1.00 0.00 H new ATOM 0 HD2 PRO B -2 -4.804 2.188 12.330 1.00 0.00 H new ATOM 0 HD3 PRO B -2 -4.824 3.926 12.555 1.00 0.00 H new ATOM 976 N LYS B -3 0.541 2.814 11.731 1.00 0.00 N ATOM 977 CA LYS B -3 1.641 2.147 11.072 1.00 0.00 C ATOM 978 C LYS B -3 2.592 1.659 12.132 1.00 0.00 C ATOM 979 O LYS B -3 2.996 2.433 12.999 1.00 0.00 O ATOM 980 CB LYS B -3 2.369 3.111 10.133 1.00 0.00 C ATOM 981 CG LYS B -3 1.552 3.548 8.932 1.00 0.00 C ATOM 982 CD LYS B -3 0.672 4.743 9.265 1.00 0.00 C ATOM 983 CE LYS B -3 1.487 6.022 9.361 1.00 0.00 C ATOM 984 NZ LYS B -3 1.121 6.828 10.558 1.00 0.00 N ATOM 0 H LYS B -3 0.829 3.520 12.408 1.00 0.00 H new ATOM 0 HA LYS B -3 1.265 1.314 10.479 1.00 0.00 H new ATOM 0 HB2 LYS B -3 2.665 3.995 10.697 1.00 0.00 H new ATOM 0 HB3 LYS B -3 3.285 2.635 9.781 1.00 0.00 H new ATOM 0 HG2 LYS B -3 2.220 3.804 8.109 1.00 0.00 H new ATOM 0 HG3 LYS B -3 0.930 2.720 8.592 1.00 0.00 H new ATOM 0 HD2 LYS B -3 -0.096 4.856 8.500 1.00 0.00 H new ATOM 0 HD3 LYS B -3 0.157 4.566 10.209 1.00 0.00 H new ATOM 0 HE2 LYS B -3 2.548 5.774 9.401 1.00 0.00 H new ATOM 0 HE3 LYS B -3 1.333 6.618 8.462 1.00 0.00 H new ATOM 0 HZ1 LYS B -3 1.700 7.691 10.585 1.00 0.00 H new ATOM 0 HZ2 LYS B -3 0.115 7.087 10.508 1.00 0.00 H new ATOM 0 HZ3 LYS B -3 1.292 6.269 11.418 1.00 0.00 H new ATOM 994 N PRO B -4 2.970 0.382 12.115 1.00 0.00 N ATOM 995 CA PRO B -4 3.877 -0.115 13.126 1.00 0.00 C ATOM 996 C PRO B -4 5.169 0.705 13.041 1.00 0.00 C ATOM 997 O PRO B -4 5.891 0.675 12.046 1.00 0.00 O ATOM 998 CB PRO B -4 4.006 -1.618 12.822 1.00 0.00 C ATOM 999 CG PRO B -4 2.946 -1.926 11.805 1.00 0.00 C ATOM 1000 CD PRO B -4 2.570 -0.634 11.139 1.00 0.00 C ATOM 0 HA PRO B -4 3.551 -0.008 14.161 1.00 0.00 H new ATOM 0 HB2 PRO B -4 4.998 -1.854 12.436 1.00 0.00 H new ATOM 0 HB3 PRO B -4 3.865 -2.212 13.725 1.00 0.00 H new ATOM 0 HG2 PRO B -4 3.315 -2.642 11.071 1.00 0.00 H new ATOM 0 HG3 PRO B -4 2.077 -2.378 12.282 1.00 0.00 H new ATOM 0 HD2 PRO B -4 3.090 -0.505 10.190 1.00 0.00 H new ATOM 0 HD3 PRO B -4 1.502 -0.588 10.926 1.00 0.00 H new ATOM 1005 N SER B -5 5.427 1.438 14.124 1.00 0.00 N ATOM 1006 CA SER B -5 6.521 2.411 14.199 1.00 0.00 C ATOM 1007 C SER B -5 7.882 1.925 13.719 1.00 0.00 C ATOM 1008 O SER B -5 8.777 2.727 13.452 1.00 0.00 O ATOM 1009 CB SER B -5 6.579 3.020 15.602 1.00 0.00 C ATOM 1010 OG SER B -5 5.288 3.402 16.046 1.00 0.00 O ATOM 0 H SER B -5 4.879 1.374 14.982 1.00 0.00 H new ATOM 0 HA SER B -5 6.276 3.185 13.471 1.00 0.00 H new ATOM 0 HB2 SER B -5 7.008 2.298 16.298 1.00 0.00 H new ATOM 0 HB3 SER B -5 7.237 3.889 15.598 1.00 0.00 H new ATOM 0 HG SER B -5 5.352 3.787 16.945 1.00 0.00 H new ATOM 1015 N HIS B -6 8.037 0.614 13.609 1.00 0.00 N ATOM 1016 CA HIS B -6 9.271 0.040 13.098 1.00 0.00 C ATOM 1017 C HIS B -6 9.291 0.108 11.563 1.00 0.00 C ATOM 1018 O HIS B -6 10.265 -0.292 10.926 1.00 0.00 O ATOM 1019 CB HIS B -6 9.419 -1.414 13.555 1.00 0.00 C ATOM 1020 CG HIS B -6 8.157 -2.215 13.459 1.00 0.00 C ATOM 1021 ND1 HIS B -6 7.237 -2.292 14.483 1.00 0.00 N ATOM 1022 CD2 HIS B -6 7.667 -2.984 12.458 1.00 0.00 C ATOM 1023 CE1 HIS B -6 6.238 -3.075 14.117 1.00 0.00 C ATOM 1024 NE2 HIS B -6 6.474 -3.507 12.893 1.00 0.00 N ATOM 0 H HIS B -6 7.325 -0.070 13.866 1.00 0.00 H new ATOM 0 HA HIS B -6 10.107 0.617 13.493 1.00 0.00 H new ATOM 0 HB2 HIS B -6 10.190 -1.896 12.954 1.00 0.00 H new ATOM 0 HB3 HIS B -6 9.767 -1.426 14.588 1.00 0.00 H new ATOM 0 HD1 HIS B -6 7.316 -1.818 15.383 1.00 0.00 H new ATOM 0 HD2 HIS B -6 8.128 -3.154 11.497 1.00 0.00 H new ATOM 0 HE1 HIS B -6 5.375 -3.320 14.718 1.00 0.00 H new ATOM 1032 N LEU B -7 8.198 0.623 10.980 1.00 0.00 N ATOM 1033 CA LEU B -7 8.111 0.733 9.527 1.00 0.00 C ATOM 1034 C LEU B -7 8.007 2.172 9.052 1.00 0.00 C ATOM 1035 O LEU B -7 7.235 2.480 8.146 1.00 0.00 O ATOM 1036 CB LEU B -7 6.953 -0.099 8.992 1.00 0.00 C ATOM 1037 CG LEU B -7 6.742 -1.456 9.643 1.00 0.00 C ATOM 1038 CD1 LEU B -7 5.297 -1.601 10.070 1.00 0.00 C ATOM 1039 CD2 LEU B -7 7.123 -2.570 8.680 1.00 0.00 C ATOM 0 H LEU B -7 7.380 0.962 11.486 1.00 0.00 H new ATOM 0 HA LEU B -7 9.044 0.338 9.125 1.00 0.00 H new ATOM 0 HB2 LEU B -7 6.036 0.480 9.103 1.00 0.00 H new ATOM 0 HB3 LEU B -7 7.106 -0.252 7.924 1.00 0.00 H new ATOM 0 HG LEU B -7 7.381 -1.529 10.523 1.00 0.00 H new ATOM 0 HD11 LEU B -7 5.151 -2.576 10.536 1.00 0.00 H new ATOM 0 HD12 LEU B -7 5.048 -0.816 10.784 1.00 0.00 H new ATOM 0 HD13 LEU B -7 4.649 -1.516 9.197 1.00 0.00 H new ATOM 0 HD21 LEU B -7 6.966 -3.536 9.161 1.00 0.00 H new ATOM 0 HD22 LEU B -7 6.504 -2.505 7.785 1.00 0.00 H new ATOM 0 HD23 LEU B -7 8.172 -2.468 8.403 1.00 0.00 H new ATOM 1050 N LYS B -8 8.775 3.052 9.674 1.00 0.00 N ATOM 1051 CA LYS B -8 8.781 4.458 9.308 1.00 0.00 C ATOM 1052 C LYS B -8 10.078 4.796 8.587 1.00 0.00 C ATOM 1053 O LYS B -8 11.120 4.206 8.874 1.00 0.00 O ATOM 1054 CB LYS B -8 8.612 5.319 10.564 1.00 0.00 C ATOM 1055 CG LYS B -8 7.169 5.443 11.036 1.00 0.00 C ATOM 1056 CD LYS B -8 6.489 4.090 11.128 1.00 0.00 C ATOM 1057 CE LYS B -8 5.074 4.223 11.663 1.00 0.00 C ATOM 1058 NZ LYS B -8 5.008 5.120 12.851 1.00 0.00 N ATOM 0 H LYS B -8 9.406 2.815 10.440 1.00 0.00 H new ATOM 0 HA LYS B -8 7.950 4.665 8.634 1.00 0.00 H new ATOM 0 HB2 LYS B -8 9.212 4.893 11.368 1.00 0.00 H new ATOM 0 HB3 LYS B -8 9.006 6.316 10.366 1.00 0.00 H new ATOM 0 HG2 LYS B -8 7.146 5.929 12.012 1.00 0.00 H new ATOM 0 HG3 LYS B -8 6.615 6.082 10.349 1.00 0.00 H new ATOM 0 HD2 LYS B -8 6.466 3.624 10.143 1.00 0.00 H new ATOM 0 HD3 LYS B -8 7.066 3.433 11.778 1.00 0.00 H new ATOM 0 HE2 LYS B -8 4.425 4.612 10.879 1.00 0.00 H new ATOM 0 HE3 LYS B -8 4.694 3.237 11.931 1.00 0.00 H new ATOM 0 HZ1 LYS B -8 4.252 4.798 13.488 1.00 0.00 H new ATOM 0 HZ2 LYS B -8 5.918 5.097 13.354 1.00 0.00 H new ATOM 0 HZ3 LYS B -8 4.808 6.092 12.541 1.00 0.00 H new ATOM 1068 N PRO B -9 10.044 5.745 7.642 1.00 0.00 N ATOM 1069 CA PRO B -9 11.232 6.113 6.885 1.00 0.00 C ATOM 1070 C PRO B -9 12.407 6.441 7.800 1.00 0.00 C ATOM 1071 O PRO B -9 12.202 6.869 8.935 1.00 0.00 O ATOM 1072 CB PRO B -9 10.808 7.359 6.108 1.00 0.00 C ATOM 1073 CG PRO B -9 9.329 7.232 5.992 1.00 0.00 C ATOM 1074 CD PRO B -9 8.867 6.534 7.246 1.00 0.00 C ATOM 0 HA PRO B -9 11.570 5.299 6.244 1.00 0.00 H new ATOM 0 HB2 PRO B -9 11.089 8.271 6.634 1.00 0.00 H new ATOM 0 HB3 PRO B -9 11.282 7.397 5.127 1.00 0.00 H new ATOM 0 HG2 PRO B -9 8.861 8.212 5.897 1.00 0.00 H new ATOM 0 HG3 PRO B -9 9.056 6.660 5.105 1.00 0.00 H new ATOM 0 HD2 PRO B -9 8.579 7.245 8.020 1.00 0.00 H new ATOM 0 HD3 PRO B -9 8.001 5.899 7.058 1.00 0.00 H new ATOM 1079 N LYS B -10 13.635 6.248 7.329 1.00 0.00 N ATOM 1080 CA LYS B -10 14.804 6.568 8.141 1.00 0.00 C ATOM 1081 C LYS B -10 14.945 8.076 8.323 1.00 0.00 C ATOM 1082 O LYS B -10 15.107 8.555 9.443 1.00 0.00 O ATOM 1083 CB LYS B -10 16.070 6.001 7.497 1.00 0.00 C ATOM 1084 CG LYS B -10 16.094 4.483 7.439 1.00 0.00 C ATOM 1085 CD LYS B -10 17.189 3.978 6.514 1.00 0.00 C ATOM 1086 CE LYS B -10 16.783 2.688 5.824 1.00 0.00 C ATOM 1087 NZ LYS B -10 17.613 1.535 6.269 1.00 0.00 N ATOM 0 H LYS B -10 13.845 5.877 6.402 1.00 0.00 H new ATOM 0 HA LYS B -10 14.668 6.113 9.122 1.00 0.00 H new ATOM 0 HB2 LYS B -10 16.162 6.397 6.485 1.00 0.00 H new ATOM 0 HB3 LYS B -10 16.939 6.349 8.055 1.00 0.00 H new ATOM 0 HG2 LYS B -10 16.249 4.082 8.441 1.00 0.00 H new ATOM 0 HG3 LYS B -10 15.127 4.116 7.095 1.00 0.00 H new ATOM 0 HD2 LYS B -10 17.413 4.738 5.765 1.00 0.00 H new ATOM 0 HD3 LYS B -10 18.103 3.814 7.085 1.00 0.00 H new ATOM 0 HE2 LYS B -10 15.733 2.481 6.031 1.00 0.00 H new ATOM 0 HE3 LYS B -10 16.878 2.808 4.745 1.00 0.00 H new ATOM 0 HZ1 LYS B -10 17.304 0.674 5.775 1.00 0.00 H new ATOM 0 HZ2 LYS B -10 18.612 1.721 6.049 1.00 0.00 H new ATOM 0 HZ3 LYS B -10 17.503 1.404 7.295 1.00 0.00 H new TER 1097 LYS B -10