USER MOD reduce.3.24.130724 H: found=0, std=0, add=583, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 581 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 62 HIS :FLIP no HE2:sc= -0.189 F(o=-1.7,f=-0.31) USER MOD Set 1.2: A 67 LYS NZ :NH3+ -149:sc= -0.119 (180deg=0) USER MOD Set 2.1: A 12 LYS NZ :NH3+ 132:sc= 0.0232 (180deg=0) USER MOD Set 2.2: A 16 SER OG : rot 180:sc= 0.0228 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot -57:sc= 0.129 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 ASN :FLIP amide:sc= -1.03 F(o=-2.2,f=-1) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0173) USER MOD Single : A 17 HIS : no HD1:sc= -0.355 X(o=-0.35,f=-0.35) USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 SER OG : rot -160:sc= 0 USER MOD Single : A 28 CYS SG : rot 180:sc= 0 USER MOD Single : A 30 ASN :FLIP amide:sc= -1.39 F(o=-1.9,f=-1.4) USER MOD Single : A 31 GLN : amide:sc= -0.052 K(o=-0.052,f=-0.98) USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 40 HIS : no HD1:sc= -0.526 K(o=-0.53,f=-1.2!) USER MOD Single : A 42 THR OG1 : rot 31:sc= -0.297 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0.169 USER MOD Single : A 48 SER OG : rot -150:sc= -1.53 USER MOD Single : A 49 THR OG1 : rot 180:sc= 0.0292 USER MOD Single : A 54 LYS NZ :NH3+ 153:sc= -0.192 (180deg=-0.717) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 CYS SG : rot 180:sc= 0 USER MOD Single : A 65 ASN : amide:sc= -0.104 X(o=-0.1,f=0) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -29.314 20.674 10.265 1.00 0.00 N ATOM 2 CA GLY A 1 -28.765 19.467 9.674 1.00 0.00 C ATOM 3 C GLY A 1 -27.253 19.511 9.564 1.00 0.00 C ATOM 4 O GLY A 1 -26.545 19.094 10.481 1.00 0.00 O ATOM 0 H1 GLY A 1 -30.350 20.595 10.318 1.00 0.00 H new ATOM 0 H2 GLY A 1 -28.927 20.799 11.222 1.00 0.00 H new ATOM 0 H3 GLY A 1 -29.059 21.494 9.679 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -29.058 18.606 10.275 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -29.194 19.324 8.682 1.00 0.00 H new ATOM 8 N SER A 2 -26.758 20.015 8.439 1.00 0.00 N ATOM 9 CA SER A 2 -25.321 20.106 8.210 1.00 0.00 C ATOM 10 C SER A 2 -24.806 21.505 8.539 1.00 0.00 C ATOM 11 O SER A 2 -25.391 22.507 8.125 1.00 0.00 O ATOM 12 CB SER A 2 -24.990 19.758 6.757 1.00 0.00 C ATOM 13 OG SER A 2 -23.676 19.244 6.643 1.00 0.00 O ATOM 0 H SER A 2 -27.331 20.367 7.672 1.00 0.00 H new ATOM 0 HA SER A 2 -24.828 19.391 8.868 1.00 0.00 H new ATOM 0 HB2 SER A 2 -25.704 19.024 6.384 1.00 0.00 H new ATOM 0 HB3 SER A 2 -25.091 20.647 6.135 1.00 0.00 H new ATOM 0 HG SER A 2 -23.489 19.028 5.706 1.00 0.00 H new ATOM 19 N SER A 3 -23.708 21.564 9.285 1.00 0.00 N ATOM 20 CA SER A 3 -23.116 22.839 9.674 1.00 0.00 C ATOM 21 C SER A 3 -21.655 22.659 10.078 1.00 0.00 C ATOM 22 O SER A 3 -21.290 21.663 10.699 1.00 0.00 O ATOM 23 CB SER A 3 -23.903 23.461 10.830 1.00 0.00 C ATOM 24 OG SER A 3 -23.737 24.868 10.861 1.00 0.00 O ATOM 0 H SER A 3 -23.210 20.744 9.632 1.00 0.00 H new ATOM 0 HA SER A 3 -23.158 23.508 8.814 1.00 0.00 H new ATOM 0 HB2 SER A 3 -24.961 23.219 10.726 1.00 0.00 H new ATOM 0 HB3 SER A 3 -23.569 23.031 11.774 1.00 0.00 H new ATOM 0 HG SER A 3 -24.251 25.242 11.607 1.00 0.00 H new ATOM 30 N GLY A 4 -20.824 23.633 9.717 1.00 0.00 N ATOM 31 CA GLY A 4 -19.413 23.564 10.049 1.00 0.00 C ATOM 32 C GLY A 4 -18.555 23.195 8.856 1.00 0.00 C ATOM 33 O GLY A 4 -18.667 23.801 7.790 1.00 0.00 O ATOM 0 H GLY A 4 -21.103 24.468 9.201 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -19.088 24.527 10.443 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -19.265 22.830 10.841 1.00 0.00 H new ATOM 37 N SER A 5 -17.692 22.199 9.033 1.00 0.00 N ATOM 38 CA SER A 5 -16.806 21.755 7.964 1.00 0.00 C ATOM 39 C SER A 5 -15.947 22.908 7.455 1.00 0.00 C ATOM 40 O SER A 5 -15.753 23.067 6.250 1.00 0.00 O ATOM 41 CB SER A 5 -17.620 21.163 6.812 1.00 0.00 C ATOM 42 OG SER A 5 -16.794 20.420 5.933 1.00 0.00 O ATOM 0 H SER A 5 -17.588 21.684 9.907 1.00 0.00 H new ATOM 0 HA SER A 5 -16.147 20.986 8.368 1.00 0.00 H new ATOM 0 HB2 SER A 5 -18.404 20.519 7.210 1.00 0.00 H new ATOM 0 HB3 SER A 5 -18.114 21.964 6.262 1.00 0.00 H new ATOM 0 HG SER A 5 -16.078 20.996 5.592 1.00 0.00 H new ATOM 48 N SER A 6 -15.435 23.710 8.383 1.00 0.00 N ATOM 49 CA SER A 6 -14.599 24.852 8.029 1.00 0.00 C ATOM 50 C SER A 6 -13.336 24.886 8.885 1.00 0.00 C ATOM 51 O SER A 6 -13.298 24.322 9.977 1.00 0.00 O ATOM 52 CB SER A 6 -15.382 26.155 8.200 1.00 0.00 C ATOM 53 OG SER A 6 -15.974 26.229 9.485 1.00 0.00 O ATOM 0 H SER A 6 -15.584 23.591 9.385 1.00 0.00 H new ATOM 0 HA SER A 6 -14.305 24.748 6.984 1.00 0.00 H new ATOM 0 HB2 SER A 6 -14.716 27.005 8.054 1.00 0.00 H new ATOM 0 HB3 SER A 6 -16.156 26.221 7.435 1.00 0.00 H new ATOM 0 HG SER A 6 -16.467 27.072 9.570 1.00 0.00 H new ATOM 59 N GLY A 7 -12.304 25.555 8.379 1.00 0.00 N ATOM 60 CA GLY A 7 -11.054 25.652 9.109 1.00 0.00 C ATOM 61 C GLY A 7 -10.362 24.311 9.255 1.00 0.00 C ATOM 62 O GLY A 7 -10.087 23.636 8.264 1.00 0.00 O ATOM 0 H GLY A 7 -12.312 26.031 7.477 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -10.389 26.346 8.595 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -11.246 26.068 10.098 1.00 0.00 H new ATOM 66 N ALA A 8 -10.080 23.926 10.495 1.00 0.00 N ATOM 67 CA ALA A 8 -9.416 22.656 10.768 1.00 0.00 C ATOM 68 C ALA A 8 -8.195 22.473 9.875 1.00 0.00 C ATOM 69 O ALA A 8 -7.943 21.380 9.367 1.00 0.00 O ATOM 70 CB ALA A 8 -10.389 21.501 10.579 1.00 0.00 C ATOM 0 H ALA A 8 -10.300 24.474 11.326 1.00 0.00 H new ATOM 0 HA ALA A 8 -9.078 22.666 11.804 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -9.881 20.559 10.786 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -11.229 21.618 11.263 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -10.755 21.498 9.552 1.00 0.00 H new ATOM 76 N SER A 9 -7.438 23.550 9.686 1.00 0.00 N ATOM 77 CA SER A 9 -6.244 23.508 8.850 1.00 0.00 C ATOM 78 C SER A 9 -5.280 22.429 9.333 1.00 0.00 C ATOM 79 O SER A 9 -5.045 22.282 10.534 1.00 0.00 O ATOM 80 CB SER A 9 -5.546 24.869 8.853 1.00 0.00 C ATOM 81 OG SER A 9 -5.255 25.290 10.175 1.00 0.00 O ATOM 0 H SER A 9 -7.631 24.462 10.101 1.00 0.00 H new ATOM 0 HA SER A 9 -6.551 23.267 7.832 1.00 0.00 H new ATOM 0 HB2 SER A 9 -4.623 24.809 8.276 1.00 0.00 H new ATOM 0 HB3 SER A 9 -6.181 25.608 8.364 1.00 0.00 H new ATOM 0 HG SER A 9 -4.808 26.162 10.150 1.00 0.00 H new ATOM 87 N ILE A 10 -4.725 21.675 8.389 1.00 0.00 N ATOM 88 CA ILE A 10 -3.786 20.610 8.718 1.00 0.00 C ATOM 89 C ILE A 10 -2.376 21.159 8.906 1.00 0.00 C ATOM 90 O ILE A 10 -1.793 21.732 7.985 1.00 0.00 O ATOM 91 CB ILE A 10 -3.760 19.525 7.624 1.00 0.00 C ATOM 92 CG1 ILE A 10 -5.185 19.083 7.281 1.00 0.00 C ATOM 93 CG2 ILE A 10 -2.925 18.337 8.076 1.00 0.00 C ATOM 94 CD1 ILE A 10 -5.809 18.192 8.332 1.00 0.00 C ATOM 0 H ILE A 10 -4.909 21.782 7.392 1.00 0.00 H new ATOM 0 HA ILE A 10 -4.128 20.165 9.652 1.00 0.00 H new ATOM 0 HB ILE A 10 -3.303 19.944 6.727 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -5.809 19.967 7.148 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -5.174 18.554 6.328 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -2.916 17.579 7.293 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -1.905 18.664 8.276 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -3.355 17.915 8.984 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -6.818 17.917 8.024 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -5.207 17.291 8.449 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -5.852 18.725 9.282 1.00 0.00 H new ATOM 106 N TYR A 11 -1.831 20.977 10.104 1.00 0.00 N ATOM 107 CA TYR A 11 -0.489 21.455 10.414 1.00 0.00 C ATOM 108 C TYR A 11 0.411 20.304 10.853 1.00 0.00 C ATOM 109 O TYR A 11 1.201 20.438 11.788 1.00 0.00 O ATOM 110 CB TYR A 11 -0.545 22.520 11.510 1.00 0.00 C ATOM 111 CG TYR A 11 -1.052 22.000 12.836 1.00 0.00 C ATOM 112 CD1 TYR A 11 -2.391 21.667 13.007 1.00 0.00 C ATOM 113 CD2 TYR A 11 -0.194 21.840 13.917 1.00 0.00 C ATOM 114 CE1 TYR A 11 -2.860 21.191 14.216 1.00 0.00 C ATOM 115 CE2 TYR A 11 -0.654 21.364 15.130 1.00 0.00 C ATOM 116 CZ TYR A 11 -1.987 21.041 15.274 1.00 0.00 C ATOM 117 OH TYR A 11 -2.449 20.567 16.481 1.00 0.00 O ATOM 0 H TYR A 11 -2.298 20.502 10.876 1.00 0.00 H new ATOM 0 HA TYR A 11 -0.070 21.896 9.510 1.00 0.00 H new ATOM 0 HB2 TYR A 11 0.452 22.937 11.650 1.00 0.00 H new ATOM 0 HB3 TYR A 11 -1.188 23.336 11.180 1.00 0.00 H new ATOM 0 HD1 TYR A 11 -3.076 21.782 12.180 1.00 0.00 H new ATOM 0 HD2 TYR A 11 0.850 22.092 13.807 1.00 0.00 H new ATOM 0 HE1 TYR A 11 -3.903 20.938 14.332 1.00 0.00 H new ATOM 0 HE2 TYR A 11 0.026 21.246 15.960 1.00 0.00 H new ATOM 0 HH TYR A 11 -1.707 20.520 17.120 1.00 0.00 H new ATOM 127 N LYS A 12 0.286 19.171 10.169 1.00 0.00 N ATOM 128 CA LYS A 12 1.088 17.994 10.485 1.00 0.00 C ATOM 129 C LYS A 12 1.366 17.173 9.231 1.00 0.00 C ATOM 130 O LYS A 12 0.876 17.491 8.148 1.00 0.00 O ATOM 131 CB LYS A 12 0.375 17.130 11.527 1.00 0.00 C ATOM 132 CG LYS A 12 -0.965 16.592 11.056 1.00 0.00 C ATOM 133 CD LYS A 12 -1.570 15.634 12.068 1.00 0.00 C ATOM 134 CE LYS A 12 -2.997 15.260 11.699 1.00 0.00 C ATOM 135 NZ LYS A 12 -3.803 14.896 12.898 1.00 0.00 N ATOM 0 H LYS A 12 -0.363 19.043 9.392 1.00 0.00 H new ATOM 0 HA LYS A 12 2.040 18.333 10.894 1.00 0.00 H new ATOM 0 HB2 LYS A 12 1.019 16.293 11.795 1.00 0.00 H new ATOM 0 HB3 LYS A 12 0.223 17.718 12.432 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -1.651 17.422 10.884 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -0.837 16.081 10.102 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -0.960 14.732 12.127 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -1.557 16.092 13.057 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -3.470 16.096 11.184 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -2.984 14.422 11.002 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -4.714 15.398 12.870 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -3.973 13.870 12.904 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -3.286 15.166 13.759 1.00 0.00 H new ATOM 149 N ASN A 13 2.155 16.113 9.385 1.00 0.00 N ATOM 150 CA ASN A 13 2.497 15.246 8.264 1.00 0.00 C ATOM 151 C ASN A 13 1.932 13.844 8.470 1.00 0.00 C ATOM 152 O ASN A 13 1.290 13.284 7.581 1.00 0.00 O ATOM 153 CB ASN A 13 4.015 15.176 8.090 1.00 0.00 C ATOM 154 CG ASN A 13 4.713 14.629 9.321 1.00 0.00 C ATOM 155 OD1 ASN A 13 4.766 15.433 10.377 1.00 0.00 O flip ATOM 156 ND2 ASN A 13 5.198 13.498 9.323 1.00 0.00 N flip ATOM 0 H ASN A 13 2.569 15.835 10.275 1.00 0.00 H new ATOM 0 HA ASN A 13 2.055 15.668 7.362 1.00 0.00 H new ATOM 0 HB2 ASN A 13 4.251 14.547 7.232 1.00 0.00 H new ATOM 0 HB3 ASN A 13 4.399 16.172 7.870 1.00 0.00 H new ATOM 0 HD21 ASN A 13 5.134 12.914 8.489 1.00 0.00 H new ATOM 0 HD22 ASN A 13 5.664 13.144 10.159 1.00 0.00 H new ATOM 163 N LYS A 14 2.174 13.281 9.649 1.00 0.00 N ATOM 164 CA LYS A 14 1.690 11.945 9.974 1.00 0.00 C ATOM 165 C LYS A 14 0.203 11.975 10.319 1.00 0.00 C ATOM 166 O LYS A 14 -0.283 12.924 10.934 1.00 0.00 O ATOM 167 CB LYS A 14 2.483 11.364 11.146 1.00 0.00 C ATOM 168 CG LYS A 14 1.955 10.026 11.635 1.00 0.00 C ATOM 169 CD LYS A 14 2.463 9.702 13.029 1.00 0.00 C ATOM 170 CE LYS A 14 3.931 9.306 13.010 1.00 0.00 C ATOM 171 NZ LYS A 14 4.425 8.942 14.367 1.00 0.00 N ATOM 0 H LYS A 14 2.703 13.730 10.396 1.00 0.00 H new ATOM 0 HA LYS A 14 1.831 11.312 9.098 1.00 0.00 H new ATOM 0 HB2 LYS A 14 3.524 11.246 10.846 1.00 0.00 H new ATOM 0 HB3 LYS A 14 2.467 12.075 11.972 1.00 0.00 H new ATOM 0 HG2 LYS A 14 0.865 10.043 11.639 1.00 0.00 H new ATOM 0 HG3 LYS A 14 2.259 9.240 10.944 1.00 0.00 H new ATOM 0 HD2 LYS A 14 2.327 10.568 13.677 1.00 0.00 H new ATOM 0 HD3 LYS A 14 1.872 8.890 13.453 1.00 0.00 H new ATOM 0 HE2 LYS A 14 4.071 8.462 12.334 1.00 0.00 H new ATOM 0 HE3 LYS A 14 4.525 10.131 12.617 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 5.429 8.678 14.312 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 4.315 9.755 15.006 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 3.876 8.138 14.732 1.00 0.00 H new ATOM 185 N LYS A 15 -0.513 10.929 9.919 1.00 0.00 N ATOM 186 CA LYS A 15 -1.942 10.833 10.188 1.00 0.00 C ATOM 187 C LYS A 15 -2.198 10.229 11.566 1.00 0.00 C ATOM 188 O LYS A 15 -1.319 9.596 12.149 1.00 0.00 O ATOM 189 CB LYS A 15 -2.629 9.986 9.114 1.00 0.00 C ATOM 190 CG LYS A 15 -3.106 10.792 7.918 1.00 0.00 C ATOM 191 CD LYS A 15 -4.146 10.032 7.113 1.00 0.00 C ATOM 192 CE LYS A 15 -4.288 10.599 5.709 1.00 0.00 C ATOM 193 NZ LYS A 15 -3.166 10.179 4.824 1.00 0.00 N ATOM 0 H LYS A 15 -0.126 10.136 9.407 1.00 0.00 H new ATOM 0 HA LYS A 15 -2.357 11.841 10.169 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -1.936 9.217 8.771 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -3.481 9.472 9.558 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -3.528 11.737 8.260 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -2.257 11.035 7.280 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -3.865 8.980 7.055 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -5.108 10.078 7.624 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -5.233 10.269 5.278 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -4.323 11.687 5.759 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -3.351 10.501 3.852 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -2.278 10.600 5.165 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -3.084 9.142 4.836 1.00 0.00 H new ATOM 207 N SER A 16 -3.408 10.429 12.078 1.00 0.00 N ATOM 208 CA SER A 16 -3.778 9.907 13.389 1.00 0.00 C ATOM 209 C SER A 16 -4.076 8.412 13.313 1.00 0.00 C ATOM 210 O SER A 16 -4.967 7.981 12.580 1.00 0.00 O ATOM 211 CB SER A 16 -4.997 10.653 13.934 1.00 0.00 C ATOM 212 OG SER A 16 -4.716 12.032 14.104 1.00 0.00 O ATOM 0 H SER A 16 -4.148 10.948 11.606 1.00 0.00 H new ATOM 0 HA SER A 16 -2.936 10.060 14.064 1.00 0.00 H new ATOM 0 HB2 SER A 16 -5.837 10.531 13.251 1.00 0.00 H new ATOM 0 HB3 SER A 16 -5.296 10.219 14.888 1.00 0.00 H new ATOM 0 HG SER A 16 -5.511 12.487 14.452 1.00 0.00 H new ATOM 218 N HIS A 17 -3.324 7.626 14.076 1.00 0.00 N ATOM 219 CA HIS A 17 -3.506 6.178 14.097 1.00 0.00 C ATOM 220 C HIS A 17 -4.987 5.819 14.160 1.00 0.00 C ATOM 221 O HIS A 17 -5.462 4.971 13.405 1.00 0.00 O ATOM 222 CB HIS A 17 -2.769 5.567 15.289 1.00 0.00 C ATOM 223 CG HIS A 17 -1.394 6.124 15.492 1.00 0.00 C ATOM 224 ND1 HIS A 17 -0.454 6.195 14.486 1.00 0.00 N ATOM 225 CD2 HIS A 17 -0.801 6.640 16.595 1.00 0.00 C ATOM 226 CE1 HIS A 17 0.658 6.728 14.960 1.00 0.00 C ATOM 227 NE2 HIS A 17 0.473 7.008 16.238 1.00 0.00 N ATOM 0 H HIS A 17 -2.583 7.967 14.688 1.00 0.00 H new ATOM 0 HA HIS A 17 -3.090 5.770 13.176 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -3.356 5.732 16.192 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -2.698 4.488 15.148 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -1.247 6.743 17.573 1.00 0.00 H new ATOM 0 HE1 HIS A 17 1.564 6.905 14.399 1.00 0.00 H new ATOM 0 HE2 HIS A 17 1.164 7.429 16.859 1.00 0.00 H new ATOM 236 N GLU A 18 -5.710 6.469 15.067 1.00 0.00 N ATOM 237 CA GLU A 18 -7.138 6.215 15.229 1.00 0.00 C ATOM 238 C GLU A 18 -7.816 6.035 13.873 1.00 0.00 C ATOM 239 O GLU A 18 -8.635 5.134 13.693 1.00 0.00 O ATOM 240 CB GLU A 18 -7.798 7.364 15.994 1.00 0.00 C ATOM 241 CG GLU A 18 -9.290 7.172 16.211 1.00 0.00 C ATOM 242 CD GLU A 18 -9.601 6.395 17.475 1.00 0.00 C ATOM 243 OE1 GLU A 18 -9.090 5.264 17.616 1.00 0.00 O ATOM 244 OE2 GLU A 18 -10.354 6.916 18.323 1.00 0.00 O ATOM 0 H GLU A 18 -5.332 7.174 15.700 1.00 0.00 H new ATOM 0 HA GLU A 18 -7.256 5.293 15.799 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -7.309 7.473 16.962 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -7.635 8.294 15.449 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -9.775 8.147 16.260 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -9.713 6.648 15.354 1.00 0.00 H new ATOM 251 N GLN A 19 -7.468 6.899 12.925 1.00 0.00 N ATOM 252 CA GLN A 19 -8.044 6.835 11.587 1.00 0.00 C ATOM 253 C GLN A 19 -7.343 5.777 10.742 1.00 0.00 C ATOM 254 O GLN A 19 -7.989 5.011 10.025 1.00 0.00 O ATOM 255 CB GLN A 19 -7.945 8.200 10.902 1.00 0.00 C ATOM 256 CG GLN A 19 -8.910 9.232 11.460 1.00 0.00 C ATOM 257 CD GLN A 19 -8.486 10.654 11.151 1.00 0.00 C ATOM 258 OE1 GLN A 19 -8.305 11.471 12.055 1.00 0.00 O ATOM 259 NE2 GLN A 19 -8.324 10.959 9.868 1.00 0.00 N ATOM 0 H GLN A 19 -6.791 7.650 13.058 1.00 0.00 H new ATOM 0 HA GLN A 19 -9.094 6.559 11.683 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -6.927 8.575 11.003 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -8.135 8.077 9.836 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -9.903 9.055 11.048 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -8.986 9.106 12.540 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -8.485 10.251 9.151 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -8.039 11.901 9.600 1.00 0.00 H new ATOM 268 N LEU A 20 -6.018 5.738 10.831 1.00 0.00 N ATOM 269 CA LEU A 20 -5.229 4.772 10.074 1.00 0.00 C ATOM 270 C LEU A 20 -5.823 3.372 10.191 1.00 0.00 C ATOM 271 O LEU A 20 -6.250 2.784 9.199 1.00 0.00 O ATOM 272 CB LEU A 20 -3.781 4.768 10.568 1.00 0.00 C ATOM 273 CG LEU A 20 -2.728 4.309 9.559 1.00 0.00 C ATOM 274 CD1 LEU A 20 -2.995 2.876 9.124 1.00 0.00 C ATOM 275 CD2 LEU A 20 -2.703 5.239 8.354 1.00 0.00 C ATOM 0 H LEU A 20 -5.468 6.364 11.419 1.00 0.00 H new ATOM 0 HA LEU A 20 -5.248 5.067 9.025 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -3.527 5.776 10.894 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -3.719 4.124 11.445 1.00 0.00 H new ATOM 0 HG LEU A 20 -1.751 4.345 10.040 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -2.236 2.566 8.406 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -2.961 2.220 9.994 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -3.980 2.814 8.660 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -1.948 4.897 7.646 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -3.680 5.236 7.872 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -2.463 6.251 8.680 1.00 0.00 H new ATOM 287 N SER A 21 -5.847 2.846 11.411 1.00 0.00 N ATOM 288 CA SER A 21 -6.387 1.514 11.658 1.00 0.00 C ATOM 289 C SER A 21 -7.765 1.359 11.020 1.00 0.00 C ATOM 290 O SER A 21 -7.980 0.479 10.188 1.00 0.00 O ATOM 291 CB SER A 21 -6.476 1.248 13.162 1.00 0.00 C ATOM 292 OG SER A 21 -5.187 1.111 13.732 1.00 0.00 O ATOM 0 H SER A 21 -5.499 3.321 12.244 1.00 0.00 H new ATOM 0 HA SER A 21 -5.713 0.786 11.206 1.00 0.00 H new ATOM 0 HB2 SER A 21 -7.007 2.066 13.648 1.00 0.00 H new ATOM 0 HB3 SER A 21 -7.054 0.342 13.341 1.00 0.00 H new ATOM 0 HG SER A 21 -5.271 0.943 14.694 1.00 0.00 H new ATOM 298 N ALA A 22 -8.694 2.223 11.418 1.00 0.00 N ATOM 299 CA ALA A 22 -10.050 2.184 10.885 1.00 0.00 C ATOM 300 C ALA A 22 -10.052 1.762 9.420 1.00 0.00 C ATOM 301 O ALA A 22 -10.692 0.777 9.047 1.00 0.00 O ATOM 302 CB ALA A 22 -10.719 3.541 11.047 1.00 0.00 C ATOM 0 H ALA A 22 -8.532 2.957 12.107 1.00 0.00 H new ATOM 0 HA ALA A 22 -10.615 1.443 11.450 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -11.731 3.498 10.645 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -10.759 3.803 12.104 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -10.146 4.296 10.508 1.00 0.00 H new ATOM 308 N LEU A 23 -9.334 2.513 8.593 1.00 0.00 N ATOM 309 CA LEU A 23 -9.254 2.217 7.166 1.00 0.00 C ATOM 310 C LEU A 23 -8.708 0.812 6.931 1.00 0.00 C ATOM 311 O LEU A 23 -9.304 0.015 6.206 1.00 0.00 O ATOM 312 CB LEU A 23 -8.367 3.245 6.461 1.00 0.00 C ATOM 313 CG LEU A 23 -8.930 4.664 6.368 1.00 0.00 C ATOM 314 CD1 LEU A 23 -7.829 5.652 6.011 1.00 0.00 C ATOM 315 CD2 LEU A 23 -10.055 4.726 5.346 1.00 0.00 C ATOM 0 H LEU A 23 -8.799 3.331 8.885 1.00 0.00 H new ATOM 0 HA LEU A 23 -10.261 2.270 6.752 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -7.410 3.288 6.982 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -8.164 2.889 5.451 1.00 0.00 H new ATOM 0 HG LEU A 23 -9.335 4.938 7.342 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -8.248 6.657 5.949 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -7.056 5.628 6.779 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -7.394 5.380 5.049 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -10.443 5.743 5.294 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -9.675 4.432 4.368 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -10.854 4.047 5.643 1.00 0.00 H new ATOM 327 N LYS A 24 -7.571 0.514 7.550 1.00 0.00 N ATOM 328 CA LYS A 24 -6.946 -0.797 7.413 1.00 0.00 C ATOM 329 C LYS A 24 -7.956 -1.911 7.663 1.00 0.00 C ATOM 330 O LYS A 24 -7.995 -2.901 6.934 1.00 0.00 O ATOM 331 CB LYS A 24 -5.773 -0.929 8.388 1.00 0.00 C ATOM 332 CG LYS A 24 -4.567 -0.087 8.006 1.00 0.00 C ATOM 333 CD LYS A 24 -3.292 -0.621 8.637 1.00 0.00 C ATOM 334 CE LYS A 24 -2.072 -0.296 7.789 1.00 0.00 C ATOM 335 NZ LYS A 24 -0.838 -0.932 8.328 1.00 0.00 N ATOM 0 H LYS A 24 -7.063 1.162 8.152 1.00 0.00 H new ATOM 0 HA LYS A 24 -6.575 -0.890 6.392 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -6.106 -0.641 9.385 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -5.473 -1.975 8.442 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -4.460 -0.074 6.921 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -4.727 0.944 8.322 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -3.170 -0.192 9.632 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -3.372 -1.701 8.763 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -2.239 -0.636 6.767 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -1.936 0.785 7.748 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -0.028 -0.687 7.723 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -0.664 -0.589 9.294 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -0.958 -1.965 8.344 1.00 0.00 H new ATOM 349 N GLY A 25 -8.773 -1.742 8.698 1.00 0.00 N ATOM 350 CA GLY A 25 -9.774 -2.741 9.025 1.00 0.00 C ATOM 351 C GLY A 25 -10.559 -3.194 7.810 1.00 0.00 C ATOM 352 O GLY A 25 -10.771 -4.389 7.608 1.00 0.00 O ATOM 0 H GLY A 25 -8.760 -0.931 9.316 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -9.287 -3.603 9.481 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -10.461 -2.333 9.766 1.00 0.00 H new ATOM 356 N SER A 26 -10.994 -2.235 6.997 1.00 0.00 N ATOM 357 CA SER A 26 -11.766 -2.541 5.798 1.00 0.00 C ATOM 358 C SER A 26 -10.920 -3.315 4.791 1.00 0.00 C ATOM 359 O SER A 26 -11.167 -4.492 4.531 1.00 0.00 O ATOM 360 CB SER A 26 -12.287 -1.252 5.160 1.00 0.00 C ATOM 361 OG SER A 26 -13.315 -1.527 4.222 1.00 0.00 O ATOM 0 H SER A 26 -10.825 -1.240 7.147 1.00 0.00 H new ATOM 0 HA SER A 26 -12.613 -3.163 6.089 1.00 0.00 H new ATOM 0 HB2 SER A 26 -12.666 -0.586 5.935 1.00 0.00 H new ATOM 0 HB3 SER A 26 -11.468 -0.731 4.665 1.00 0.00 H new ATOM 0 HG SER A 26 -13.412 -0.767 3.611 1.00 0.00 H new ATOM 367 N PHE A 27 -9.923 -2.642 4.226 1.00 0.00 N ATOM 368 CA PHE A 27 -9.041 -3.266 3.246 1.00 0.00 C ATOM 369 C PHE A 27 -8.723 -4.706 3.637 1.00 0.00 C ATOM 370 O PHE A 27 -8.889 -5.628 2.838 1.00 0.00 O ATOM 371 CB PHE A 27 -7.744 -2.463 3.113 1.00 0.00 C ATOM 372 CG PHE A 27 -6.857 -2.938 1.998 1.00 0.00 C ATOM 373 CD1 PHE A 27 -5.947 -3.961 2.207 1.00 0.00 C ATOM 374 CD2 PHE A 27 -6.933 -2.360 0.740 1.00 0.00 C ATOM 375 CE1 PHE A 27 -5.129 -4.401 1.183 1.00 0.00 C ATOM 376 CE2 PHE A 27 -6.119 -2.797 -0.288 1.00 0.00 C ATOM 377 CZ PHE A 27 -5.215 -3.817 -0.066 1.00 0.00 C ATOM 0 H PHE A 27 -9.706 -1.666 4.429 1.00 0.00 H new ATOM 0 HA PHE A 27 -9.556 -3.276 2.285 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -7.991 -1.414 2.949 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -7.194 -2.518 4.053 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -5.876 -4.421 3.182 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -7.636 -1.560 0.561 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -4.424 -5.200 1.359 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -6.190 -2.341 -1.264 1.00 0.00 H new ATOM 0 HZ PHE A 27 -4.576 -4.158 -0.867 1.00 0.00 H new ATOM 387 N CYS A 28 -8.264 -4.889 4.871 1.00 0.00 N ATOM 388 CA CYS A 28 -7.921 -6.216 5.368 1.00 0.00 C ATOM 389 C CYS A 28 -8.911 -7.260 4.861 1.00 0.00 C ATOM 390 O CYS A 28 -8.523 -8.236 4.218 1.00 0.00 O ATOM 391 CB CYS A 28 -7.897 -6.219 6.897 1.00 0.00 C ATOM 392 SG CYS A 28 -6.969 -7.593 7.619 1.00 0.00 S ATOM 0 H CYS A 28 -8.121 -4.136 5.544 1.00 0.00 H new ATOM 0 HA CYS A 28 -6.929 -6.472 4.995 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -7.465 -5.281 7.245 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -8.922 -6.254 7.266 1.00 0.00 H new ATOM 0 HG CYS A 28 -7.005 -7.507 8.916 1.00 0.00 H new ATOM 398 N ARG A 29 -10.189 -7.049 5.156 1.00 0.00 N ATOM 399 CA ARG A 29 -11.234 -7.972 4.732 1.00 0.00 C ATOM 400 C ARG A 29 -11.742 -7.616 3.338 1.00 0.00 C ATOM 401 O ARG A 29 -11.636 -8.411 2.406 1.00 0.00 O ATOM 402 CB ARG A 29 -12.394 -7.956 5.730 1.00 0.00 C ATOM 403 CG ARG A 29 -12.172 -8.851 6.937 1.00 0.00 C ATOM 404 CD ARG A 29 -13.374 -8.840 7.867 1.00 0.00 C ATOM 405 NE ARG A 29 -14.362 -9.850 7.497 1.00 0.00 N ATOM 406 CZ ARG A 29 -14.188 -11.153 7.687 1.00 0.00 C ATOM 407 NH1 ARG A 29 -13.069 -11.602 8.239 1.00 0.00 N ATOM 408 NH2 ARG A 29 -15.133 -12.010 7.324 1.00 0.00 N ATOM 0 H ARG A 29 -10.526 -6.246 5.687 1.00 0.00 H new ATOM 0 HA ARG A 29 -10.807 -8.974 4.698 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -12.554 -6.933 6.071 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -13.305 -8.268 5.220 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -11.977 -9.871 6.604 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -11.287 -8.518 7.480 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -13.042 -9.015 8.890 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -13.839 -7.854 7.847 1.00 0.00 H new ATOM 0 HE ARG A 29 -15.234 -9.538 7.069 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -12.340 -10.946 8.519 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -12.938 -12.603 8.384 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -15.995 -11.669 6.898 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -14.998 -13.010 7.471 1.00 0.00 H new ATOM 422 N ASN A 30 -12.296 -6.415 3.205 1.00 0.00 N ATOM 423 CA ASN A 30 -12.822 -5.953 1.925 1.00 0.00 C ATOM 424 C ASN A 30 -11.889 -4.926 1.292 1.00 0.00 C ATOM 425 O ASN A 30 -11.878 -3.760 1.683 1.00 0.00 O ATOM 426 CB ASN A 30 -14.215 -5.348 2.112 1.00 0.00 C ATOM 427 CG ASN A 30 -14.915 -5.092 0.791 1.00 0.00 C ATOM 428 OD1 ASN A 30 -15.718 -4.035 0.743 1.00 0.00 O flip ATOM 429 ND2 ASN A 30 -14.735 -5.834 -0.174 1.00 0.00 N flip ATOM 0 H ASN A 30 -12.392 -5.744 3.967 1.00 0.00 H new ATOM 0 HA ASN A 30 -12.893 -6.812 1.258 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -14.822 -6.021 2.718 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -14.131 -4.411 2.663 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -14.109 -6.635 -0.092 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -15.212 -5.648 -1.056 1.00 0.00 H new ATOM 436 N GLN A 31 -11.108 -5.369 0.312 1.00 0.00 N ATOM 437 CA GLN A 31 -10.171 -4.488 -0.375 1.00 0.00 C ATOM 438 C GLN A 31 -10.904 -3.556 -1.334 1.00 0.00 C ATOM 439 O GLN A 31 -10.475 -2.425 -1.565 1.00 0.00 O ATOM 440 CB GLN A 31 -9.131 -5.310 -1.138 1.00 0.00 C ATOM 441 CG GLN A 31 -7.953 -5.747 -0.281 1.00 0.00 C ATOM 442 CD GLN A 31 -6.950 -6.583 -1.052 1.00 0.00 C ATOM 443 OE1 GLN A 31 -7.051 -6.728 -2.272 1.00 0.00 O ATOM 444 NE2 GLN A 31 -5.975 -7.139 -0.344 1.00 0.00 N ATOM 0 H GLN A 31 -11.106 -6.332 -0.024 1.00 0.00 H new ATOM 0 HA GLN A 31 -9.664 -3.882 0.376 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -9.614 -6.194 -1.556 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -8.760 -4.722 -1.978 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -7.453 -4.865 0.120 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -8.320 -6.320 0.570 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -5.930 -6.993 0.664 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -5.271 -7.713 -0.808 1.00 0.00 H new ATOM 453 N PHE A 32 -12.010 -4.038 -1.890 1.00 0.00 N ATOM 454 CA PHE A 32 -12.802 -3.248 -2.825 1.00 0.00 C ATOM 455 C PHE A 32 -14.107 -2.789 -2.181 1.00 0.00 C ATOM 456 O PHE A 32 -15.170 -3.379 -2.381 1.00 0.00 O ATOM 457 CB PHE A 32 -13.101 -4.062 -4.086 1.00 0.00 C ATOM 458 CG PHE A 32 -11.889 -4.323 -4.933 1.00 0.00 C ATOM 459 CD1 PHE A 32 -10.842 -5.090 -4.449 1.00 0.00 C ATOM 460 CD2 PHE A 32 -11.796 -3.800 -6.213 1.00 0.00 C ATOM 461 CE1 PHE A 32 -9.725 -5.332 -5.227 1.00 0.00 C ATOM 462 CE2 PHE A 32 -10.682 -4.039 -6.994 1.00 0.00 C ATOM 463 CZ PHE A 32 -9.644 -4.805 -6.500 1.00 0.00 C ATOM 0 H PHE A 32 -12.378 -4.972 -1.709 1.00 0.00 H new ATOM 0 HA PHE A 32 -12.223 -2.366 -3.098 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -13.544 -5.015 -3.797 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -13.844 -3.533 -4.683 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -10.899 -5.504 -3.453 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -12.603 -3.199 -6.604 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -8.916 -5.933 -4.839 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -10.623 -3.627 -7.991 1.00 0.00 H new ATOM 0 HZ PHE A 32 -8.771 -4.991 -7.108 1.00 0.00 H new ATOM 473 N PRO A 33 -14.027 -1.711 -1.387 1.00 0.00 N ATOM 474 CA PRO A 33 -15.191 -1.149 -0.696 1.00 0.00 C ATOM 475 C PRO A 33 -16.172 -0.488 -1.658 1.00 0.00 C ATOM 476 O PRO A 33 -15.837 0.485 -2.332 1.00 0.00 O ATOM 477 CB PRO A 33 -14.577 -0.105 0.241 1.00 0.00 C ATOM 478 CG PRO A 33 -13.293 0.278 -0.409 1.00 0.00 C ATOM 479 CD PRO A 33 -12.794 -0.959 -1.103 1.00 0.00 C ATOM 0 HA PRO A 33 -15.770 -1.916 -0.182 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -15.234 0.757 0.358 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -14.410 -0.516 1.237 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -13.443 1.091 -1.120 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -12.572 0.629 0.329 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -12.252 -0.716 -2.017 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -12.113 -1.528 -0.470 1.00 0.00 H new ATOM 487 N GLY A 34 -17.388 -1.025 -1.718 1.00 0.00 N ATOM 488 CA GLY A 34 -18.399 -0.473 -2.601 1.00 0.00 C ATOM 489 C GLY A 34 -18.810 0.931 -2.206 1.00 0.00 C ATOM 490 O GLY A 34 -18.056 1.641 -1.542 1.00 0.00 O ATOM 0 H GLY A 34 -17.690 -1.831 -1.171 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -18.019 -0.463 -3.622 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -19.276 -1.120 -2.594 1.00 0.00 H new ATOM 494 N GLN A 35 -20.008 1.332 -2.618 1.00 0.00 N ATOM 495 CA GLN A 35 -20.516 2.664 -2.305 1.00 0.00 C ATOM 496 C GLN A 35 -20.758 2.815 -0.807 1.00 0.00 C ATOM 497 O GLN A 35 -20.131 3.645 -0.148 1.00 0.00 O ATOM 498 CB GLN A 35 -21.813 2.931 -3.072 1.00 0.00 C ATOM 499 CG GLN A 35 -22.380 4.322 -2.842 1.00 0.00 C ATOM 500 CD GLN A 35 -23.845 4.425 -3.216 1.00 0.00 C ATOM 501 OE1 GLN A 35 -24.188 4.869 -4.313 1.00 0.00 O ATOM 502 NE2 GLN A 35 -24.720 4.012 -2.307 1.00 0.00 N ATOM 0 H GLN A 35 -20.645 0.756 -3.168 1.00 0.00 H new ATOM 0 HA GLN A 35 -19.765 3.393 -2.609 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -21.630 2.794 -4.138 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -22.558 2.191 -2.779 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -22.257 4.591 -1.793 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -21.809 5.044 -3.425 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -24.393 3.651 -1.411 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -25.720 4.056 -2.505 1.00 0.00 H new ATOM 511 N SER A 36 -21.670 2.009 -0.275 1.00 0.00 N ATOM 512 CA SER A 36 -21.998 2.057 1.146 1.00 0.00 C ATOM 513 C SER A 36 -20.733 2.013 1.997 1.00 0.00 C ATOM 514 O SER A 36 -20.587 2.778 2.949 1.00 0.00 O ATOM 515 CB SER A 36 -22.916 0.892 1.518 1.00 0.00 C ATOM 516 OG SER A 36 -24.179 1.015 0.884 1.00 0.00 O ATOM 0 H SER A 36 -22.196 1.314 -0.806 1.00 0.00 H new ATOM 0 HA SER A 36 -22.515 2.996 1.343 1.00 0.00 H new ATOM 0 HB2 SER A 36 -22.450 -0.050 1.228 1.00 0.00 H new ATOM 0 HB3 SER A 36 -23.050 0.861 2.599 1.00 0.00 H new ATOM 0 HG SER A 36 -24.747 0.257 1.136 1.00 0.00 H new ATOM 522 N GLU A 37 -19.820 1.113 1.644 1.00 0.00 N ATOM 523 CA GLU A 37 -18.567 0.969 2.376 1.00 0.00 C ATOM 524 C GLU A 37 -17.877 2.319 2.543 1.00 0.00 C ATOM 525 O GLU A 37 -17.636 2.772 3.662 1.00 0.00 O ATOM 526 CB GLU A 37 -17.637 -0.007 1.651 1.00 0.00 C ATOM 527 CG GLU A 37 -17.811 -1.452 2.087 1.00 0.00 C ATOM 528 CD GLU A 37 -19.268 -1.856 2.199 1.00 0.00 C ATOM 529 OE1 GLU A 37 -19.971 -1.826 1.168 1.00 0.00 O ATOM 530 OE2 GLU A 37 -19.704 -2.202 3.317 1.00 0.00 O ATOM 0 H GLU A 37 -19.925 0.473 0.856 1.00 0.00 H new ATOM 0 HA GLU A 37 -18.796 0.573 3.365 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -17.815 0.064 0.578 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -16.603 0.294 1.823 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -17.310 -2.106 1.373 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -17.322 -1.598 3.050 1.00 0.00 H new ATOM 537 N VAL A 38 -17.558 2.957 1.421 1.00 0.00 N ATOM 538 CA VAL A 38 -16.896 4.256 1.442 1.00 0.00 C ATOM 539 C VAL A 38 -17.721 5.282 2.210 1.00 0.00 C ATOM 540 O VAL A 38 -17.223 5.931 3.129 1.00 0.00 O ATOM 541 CB VAL A 38 -16.644 4.780 0.016 1.00 0.00 C ATOM 542 CG1 VAL A 38 -15.977 6.147 0.059 1.00 0.00 C ATOM 543 CG2 VAL A 38 -15.802 3.791 -0.774 1.00 0.00 C ATOM 0 H VAL A 38 -17.747 2.595 0.486 1.00 0.00 H new ATOM 0 HA VAL A 38 -15.939 4.115 1.944 1.00 0.00 H new ATOM 0 HB VAL A 38 -17.605 4.887 -0.488 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -15.807 6.501 -0.958 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -16.623 6.850 0.585 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -15.023 6.070 0.581 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -15.634 4.178 -1.779 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -14.843 3.649 -0.275 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -16.324 2.836 -0.835 1.00 0.00 H new ATOM 553 N GLU A 39 -18.987 5.422 1.828 1.00 0.00 N ATOM 554 CA GLU A 39 -19.882 6.370 2.482 1.00 0.00 C ATOM 555 C GLU A 39 -19.827 6.211 3.999 1.00 0.00 C ATOM 556 O GLU A 39 -20.080 7.159 4.743 1.00 0.00 O ATOM 557 CB GLU A 39 -21.317 6.174 1.989 1.00 0.00 C ATOM 558 CG GLU A 39 -21.489 6.431 0.502 1.00 0.00 C ATOM 559 CD GLU A 39 -22.888 6.896 0.149 1.00 0.00 C ATOM 560 OE1 GLU A 39 -23.858 6.219 0.551 1.00 0.00 O ATOM 561 OE2 GLU A 39 -23.015 7.937 -0.531 1.00 0.00 O ATOM 0 H GLU A 39 -19.416 4.891 1.070 1.00 0.00 H new ATOM 0 HA GLU A 39 -19.553 7.377 2.227 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -21.633 5.155 2.212 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -21.977 6.841 2.543 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -20.768 7.183 0.181 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -21.264 5.518 -0.049 1.00 0.00 H new ATOM 568 N HIS A 40 -19.498 5.005 4.451 1.00 0.00 N ATOM 569 CA HIS A 40 -19.410 4.721 5.879 1.00 0.00 C ATOM 570 C HIS A 40 -18.056 5.148 6.436 1.00 0.00 C ATOM 571 O HIS A 40 -17.981 5.952 7.367 1.00 0.00 O ATOM 572 CB HIS A 40 -19.635 3.231 6.139 1.00 0.00 C ATOM 573 CG HIS A 40 -19.097 2.766 7.457 1.00 0.00 C ATOM 574 ND1 HIS A 40 -19.181 3.515 8.611 1.00 0.00 N ATOM 575 CD2 HIS A 40 -18.467 1.618 7.801 1.00 0.00 C ATOM 576 CE1 HIS A 40 -18.625 2.849 9.608 1.00 0.00 C ATOM 577 NE2 HIS A 40 -18.184 1.694 9.142 1.00 0.00 N ATOM 0 H HIS A 40 -19.288 4.209 3.849 1.00 0.00 H new ATOM 0 HA HIS A 40 -20.188 5.292 6.386 1.00 0.00 H new ATOM 0 HB2 HIS A 40 -20.704 3.020 6.097 1.00 0.00 H new ATOM 0 HB3 HIS A 40 -19.165 2.656 5.341 1.00 0.00 H new ATOM 0 HD2 HIS A 40 -18.231 0.795 7.142 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -18.545 3.191 10.629 1.00 0.00 H new ATOM 0 HE2 HIS A 40 -17.710 0.976 9.690 1.00 0.00 H new ATOM 586 N LEU A 41 -16.988 4.607 5.861 1.00 0.00 N ATOM 587 CA LEU A 41 -15.635 4.931 6.302 1.00 0.00 C ATOM 588 C LEU A 41 -15.407 6.439 6.295 1.00 0.00 C ATOM 589 O LEU A 41 -14.642 6.966 7.103 1.00 0.00 O ATOM 590 CB LEU A 41 -14.607 4.244 5.401 1.00 0.00 C ATOM 591 CG LEU A 41 -14.319 2.774 5.708 1.00 0.00 C ATOM 592 CD1 LEU A 41 -13.593 2.117 4.545 1.00 0.00 C ATOM 593 CD2 LEU A 41 -13.506 2.647 6.988 1.00 0.00 C ATOM 0 H LEU A 41 -17.032 3.942 5.089 1.00 0.00 H new ATOM 0 HA LEU A 41 -15.515 4.569 7.323 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -14.951 4.318 4.369 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -13.670 4.798 5.465 1.00 0.00 H new ATOM 0 HG LEU A 41 -15.269 2.260 5.852 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -13.397 1.071 4.782 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -14.212 2.176 3.650 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -12.649 2.632 4.368 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -13.310 1.594 7.192 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -12.560 3.176 6.872 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -14.065 3.079 7.818 1.00 0.00 H new ATOM 605 N THR A 42 -16.080 7.130 5.380 1.00 0.00 N ATOM 606 CA THR A 42 -15.952 8.578 5.268 1.00 0.00 C ATOM 607 C THR A 42 -16.448 9.272 6.532 1.00 0.00 C ATOM 608 O THR A 42 -15.981 10.356 6.882 1.00 0.00 O ATOM 609 CB THR A 42 -16.735 9.119 4.057 1.00 0.00 C ATOM 610 OG1 THR A 42 -18.010 8.473 3.969 1.00 0.00 O ATOM 611 CG2 THR A 42 -15.958 8.898 2.768 1.00 0.00 C ATOM 0 H THR A 42 -16.720 6.710 4.705 1.00 0.00 H new ATOM 0 HA THR A 42 -14.892 8.793 5.131 1.00 0.00 H new ATOM 0 HB THR A 42 -16.881 10.190 4.196 1.00 0.00 H new ATOM 0 HG1 THR A 42 -18.319 8.236 4.868 1.00 0.00 H new ATOM 0 HG21 THR A 42 -16.531 9.288 1.927 1.00 0.00 H new ATOM 0 HG22 THR A 42 -15.001 9.416 2.827 1.00 0.00 H new ATOM 0 HG23 THR A 42 -15.785 7.831 2.626 1.00 0.00 H new ATOM 619 N LYS A 43 -17.399 8.641 7.213 1.00 0.00 N ATOM 620 CA LYS A 43 -17.958 9.197 8.439 1.00 0.00 C ATOM 621 C LYS A 43 -17.044 8.918 9.629 1.00 0.00 C ATOM 622 O LYS A 43 -16.934 9.734 10.544 1.00 0.00 O ATOM 623 CB LYS A 43 -19.347 8.611 8.702 1.00 0.00 C ATOM 624 CG LYS A 43 -20.270 8.672 7.498 1.00 0.00 C ATOM 625 CD LYS A 43 -21.043 9.980 7.453 1.00 0.00 C ATOM 626 CE LYS A 43 -22.204 9.976 8.436 1.00 0.00 C ATOM 627 NZ LYS A 43 -23.411 9.318 7.865 1.00 0.00 N ATOM 0 H LYS A 43 -17.798 7.744 6.936 1.00 0.00 H new ATOM 0 HA LYS A 43 -18.043 10.276 8.313 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -19.241 7.573 9.016 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -19.808 9.149 9.531 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -19.686 8.562 6.585 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -20.969 7.836 7.532 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -20.373 10.808 7.684 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -21.420 10.146 6.444 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -21.906 9.459 9.348 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -22.447 11.001 8.715 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -24.180 9.336 8.565 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -23.711 9.826 7.009 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -23.187 8.332 7.622 1.00 0.00 H new ATOM 641 N VAL A 44 -16.390 7.761 9.609 1.00 0.00 N ATOM 642 CA VAL A 44 -15.484 7.377 10.685 1.00 0.00 C ATOM 643 C VAL A 44 -14.273 8.301 10.740 1.00 0.00 C ATOM 644 O VAL A 44 -13.972 8.886 11.781 1.00 0.00 O ATOM 645 CB VAL A 44 -14.999 5.924 10.518 1.00 0.00 C ATOM 646 CG1 VAL A 44 -14.244 5.467 11.756 1.00 0.00 C ATOM 647 CG2 VAL A 44 -16.173 5.001 10.228 1.00 0.00 C ATOM 0 H VAL A 44 -16.471 7.074 8.860 1.00 0.00 H new ATOM 0 HA VAL A 44 -16.045 7.461 11.616 1.00 0.00 H new ATOM 0 HB VAL A 44 -14.316 5.883 9.670 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -13.909 4.439 11.619 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -13.380 6.112 11.914 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -14.901 5.522 12.624 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -15.812 3.979 10.113 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -16.883 5.045 11.054 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -16.666 5.317 9.309 1.00 0.00 H new ATOM 657 N THR A 45 -13.581 8.431 9.612 1.00 0.00 N ATOM 658 CA THR A 45 -12.403 9.284 9.532 1.00 0.00 C ATOM 659 C THR A 45 -12.792 10.738 9.295 1.00 0.00 C ATOM 660 O THR A 45 -12.053 11.655 9.653 1.00 0.00 O ATOM 661 CB THR A 45 -11.455 8.829 8.407 1.00 0.00 C ATOM 662 OG1 THR A 45 -11.979 9.226 7.134 1.00 0.00 O ATOM 663 CG2 THR A 45 -11.267 7.320 8.435 1.00 0.00 C ATOM 0 H THR A 45 -13.817 7.956 8.741 1.00 0.00 H new ATOM 0 HA THR A 45 -11.887 9.200 10.488 1.00 0.00 H new ATOM 0 HB THR A 45 -10.486 9.303 8.565 1.00 0.00 H new ATOM 0 HG1 THR A 45 -11.370 8.934 6.424 1.00 0.00 H new ATOM 0 HG21 THR A 45 -10.594 7.022 7.631 1.00 0.00 H new ATOM 0 HG22 THR A 45 -10.841 7.024 9.394 1.00 0.00 H new ATOM 0 HG23 THR A 45 -12.232 6.831 8.300 1.00 0.00 H new ATOM 671 N GLY A 46 -13.959 10.944 8.691 1.00 0.00 N ATOM 672 CA GLY A 46 -14.426 12.290 8.419 1.00 0.00 C ATOM 673 C GLY A 46 -13.677 12.942 7.272 1.00 0.00 C ATOM 674 O GLY A 46 -13.740 14.160 7.093 1.00 0.00 O ATOM 0 H GLY A 46 -14.589 10.202 8.385 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -15.490 12.262 8.185 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -14.313 12.899 9.316 1.00 0.00 H new ATOM 678 N LEU A 47 -12.967 12.133 6.495 1.00 0.00 N ATOM 679 CA LEU A 47 -12.201 12.639 5.361 1.00 0.00 C ATOM 680 C LEU A 47 -13.071 12.720 4.110 1.00 0.00 C ATOM 681 O LEU A 47 -14.253 12.380 4.141 1.00 0.00 O ATOM 682 CB LEU A 47 -10.991 11.742 5.097 1.00 0.00 C ATOM 683 CG LEU A 47 -9.962 11.652 6.225 1.00 0.00 C ATOM 684 CD1 LEU A 47 -8.899 10.616 5.897 1.00 0.00 C ATOM 685 CD2 LEU A 47 -9.326 13.012 6.473 1.00 0.00 C ATOM 0 H LEU A 47 -12.905 11.124 6.629 1.00 0.00 H new ATOM 0 HA LEU A 47 -11.854 13.643 5.606 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -11.350 10.736 4.879 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -10.487 12.101 4.200 1.00 0.00 H new ATOM 0 HG LEU A 47 -10.474 11.340 7.135 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -8.176 10.566 6.711 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -9.369 9.641 5.769 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -8.389 10.897 4.976 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -8.596 12.931 7.279 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -8.828 13.352 5.565 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -10.098 13.729 6.753 1.00 0.00 H new ATOM 697 N SER A 48 -12.476 13.172 3.011 1.00 0.00 N ATOM 698 CA SER A 48 -13.196 13.301 1.750 1.00 0.00 C ATOM 699 C SER A 48 -13.257 11.962 1.020 1.00 0.00 C ATOM 700 O SER A 48 -12.291 11.200 1.014 1.00 0.00 O ATOM 701 CB SER A 48 -12.525 14.349 0.859 1.00 0.00 C ATOM 702 OG SER A 48 -11.122 14.361 1.055 1.00 0.00 O ATOM 0 H SER A 48 -11.497 13.455 2.968 1.00 0.00 H new ATOM 0 HA SER A 48 -14.214 13.622 1.973 1.00 0.00 H new ATOM 0 HB2 SER A 48 -12.748 14.138 -0.187 1.00 0.00 H new ATOM 0 HB3 SER A 48 -12.935 15.335 1.080 1.00 0.00 H new ATOM 0 HG SER A 48 -10.776 15.263 0.891 1.00 0.00 H new ATOM 708 N THR A 49 -14.403 11.681 0.407 1.00 0.00 N ATOM 709 CA THR A 49 -14.593 10.435 -0.324 1.00 0.00 C ATOM 710 C THR A 49 -13.381 10.116 -1.192 1.00 0.00 C ATOM 711 O THR A 49 -13.075 8.950 -1.442 1.00 0.00 O ATOM 712 CB THR A 49 -15.848 10.492 -1.215 1.00 0.00 C ATOM 713 OG1 THR A 49 -16.906 11.172 -0.529 1.00 0.00 O ATOM 714 CG2 THR A 49 -16.304 9.093 -1.599 1.00 0.00 C ATOM 0 H THR A 49 -15.214 12.300 0.403 1.00 0.00 H new ATOM 0 HA THR A 49 -14.720 9.649 0.420 1.00 0.00 H new ATOM 0 HB THR A 49 -15.595 11.037 -2.125 1.00 0.00 H new ATOM 0 HG1 THR A 49 -17.700 11.205 -1.103 1.00 0.00 H new ATOM 0 HG21 THR A 49 -17.192 9.159 -2.228 1.00 0.00 H new ATOM 0 HG22 THR A 49 -15.508 8.588 -2.147 1.00 0.00 H new ATOM 0 HG23 THR A 49 -16.540 8.527 -0.698 1.00 0.00 H new ATOM 722 N ARG A 50 -12.695 11.159 -1.648 1.00 0.00 N ATOM 723 CA ARG A 50 -11.516 10.990 -2.489 1.00 0.00 C ATOM 724 C ARG A 50 -10.311 10.565 -1.655 1.00 0.00 C ATOM 725 O ARG A 50 -9.571 9.658 -2.036 1.00 0.00 O ATOM 726 CB ARG A 50 -11.203 12.289 -3.233 1.00 0.00 C ATOM 727 CG ARG A 50 -9.874 12.264 -3.970 1.00 0.00 C ATOM 728 CD ARG A 50 -9.979 11.496 -5.279 1.00 0.00 C ATOM 729 NE ARG A 50 -9.009 11.962 -6.266 1.00 0.00 N ATOM 730 CZ ARG A 50 -9.167 13.065 -6.989 1.00 0.00 C ATOM 731 NH1 ARG A 50 -10.252 13.812 -6.835 1.00 0.00 N ATOM 732 NH2 ARG A 50 -8.239 13.423 -7.867 1.00 0.00 N ATOM 0 H ARG A 50 -12.935 12.130 -1.449 1.00 0.00 H new ATOM 0 HA ARG A 50 -11.728 10.206 -3.216 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -12.001 12.490 -3.948 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -11.198 13.114 -2.520 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -9.548 13.285 -4.170 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -9.114 11.805 -3.337 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -9.822 10.434 -5.090 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -10.986 11.603 -5.682 1.00 0.00 H new ATOM 0 HE ARG A 50 -8.163 11.410 -6.408 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -10.967 13.540 -6.160 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -10.371 14.659 -7.391 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -7.403 12.851 -7.987 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -8.361 14.270 -8.422 1.00 0.00 H new ATOM 746 N GLU A 51 -10.120 11.227 -0.519 1.00 0.00 N ATOM 747 CA GLU A 51 -9.003 10.919 0.366 1.00 0.00 C ATOM 748 C GLU A 51 -9.123 9.501 0.919 1.00 0.00 C ATOM 749 O GLU A 51 -8.120 8.854 1.220 1.00 0.00 O ATOM 750 CB GLU A 51 -8.944 11.924 1.518 1.00 0.00 C ATOM 751 CG GLU A 51 -8.289 13.243 1.142 1.00 0.00 C ATOM 752 CD GLU A 51 -8.617 14.356 2.119 1.00 0.00 C ATOM 753 OE1 GLU A 51 -9.147 14.051 3.209 1.00 0.00 O ATOM 754 OE2 GLU A 51 -8.344 15.530 1.795 1.00 0.00 O ATOM 0 H GLU A 51 -10.724 11.980 -0.190 1.00 0.00 H new ATOM 0 HA GLU A 51 -8.083 10.988 -0.214 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -9.957 12.119 1.872 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -8.396 11.480 2.349 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -7.208 13.109 1.099 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -8.614 13.534 0.143 1.00 0.00 H new ATOM 761 N VAL A 52 -10.357 9.026 1.050 1.00 0.00 N ATOM 762 CA VAL A 52 -10.610 7.686 1.566 1.00 0.00 C ATOM 763 C VAL A 52 -10.376 6.631 0.491 1.00 0.00 C ATOM 764 O VAL A 52 -9.777 5.587 0.751 1.00 0.00 O ATOM 765 CB VAL A 52 -12.048 7.551 2.099 1.00 0.00 C ATOM 766 CG1 VAL A 52 -12.292 6.146 2.629 1.00 0.00 C ATOM 767 CG2 VAL A 52 -12.316 8.590 3.177 1.00 0.00 C ATOM 0 H VAL A 52 -11.198 9.549 0.806 1.00 0.00 H new ATOM 0 HA VAL A 52 -9.911 7.526 2.387 1.00 0.00 H new ATOM 0 HB VAL A 52 -12.740 7.728 1.276 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -13.314 6.070 3.001 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -12.144 5.424 1.826 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -11.594 5.937 3.439 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -13.337 8.480 3.542 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -11.618 8.447 4.002 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -12.185 9.589 2.760 1.00 0.00 H new ATOM 777 N ARG A 53 -10.854 6.909 -0.717 1.00 0.00 N ATOM 778 CA ARG A 53 -10.698 5.983 -1.833 1.00 0.00 C ATOM 779 C ARG A 53 -9.277 6.033 -2.386 1.00 0.00 C ATOM 780 O ARG A 53 -8.820 5.094 -3.037 1.00 0.00 O ATOM 781 CB ARG A 53 -11.701 6.313 -2.940 1.00 0.00 C ATOM 782 CG ARG A 53 -13.081 5.720 -2.710 1.00 0.00 C ATOM 783 CD ARG A 53 -14.004 5.985 -3.888 1.00 0.00 C ATOM 784 NE ARG A 53 -13.622 5.215 -5.068 1.00 0.00 N ATOM 785 CZ ARG A 53 -14.095 5.453 -6.286 1.00 0.00 C ATOM 786 NH1 ARG A 53 -14.964 6.435 -6.483 1.00 0.00 N ATOM 787 NH2 ARG A 53 -13.699 4.709 -7.311 1.00 0.00 N ATOM 0 H ARG A 53 -11.353 7.768 -0.949 1.00 0.00 H new ATOM 0 HA ARG A 53 -10.891 4.975 -1.467 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -11.790 7.396 -3.026 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -11.312 5.948 -3.891 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -12.994 4.645 -2.549 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -13.514 6.144 -1.804 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -15.028 5.736 -3.609 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -13.988 7.048 -4.128 1.00 0.00 H new ATOM 0 HE ARG A 53 -12.955 4.452 -4.951 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -15.271 7.010 -5.698 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -15.326 6.616 -7.419 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -13.030 3.953 -7.164 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -14.063 4.893 -8.246 1.00 0.00 H new ATOM 801 N LYS A 54 -8.583 7.135 -2.123 1.00 0.00 N ATOM 802 CA LYS A 54 -7.214 7.308 -2.593 1.00 0.00 C ATOM 803 C LYS A 54 -6.237 6.522 -1.725 1.00 0.00 C ATOM 804 O LYS A 54 -5.219 6.028 -2.210 1.00 0.00 O ATOM 805 CB LYS A 54 -6.836 8.791 -2.590 1.00 0.00 C ATOM 806 CG LYS A 54 -5.526 9.086 -3.299 1.00 0.00 C ATOM 807 CD LYS A 54 -5.418 10.552 -3.685 1.00 0.00 C ATOM 808 CE LYS A 54 -4.823 11.383 -2.558 1.00 0.00 C ATOM 809 NZ LYS A 54 -3.433 10.959 -2.232 1.00 0.00 N ATOM 0 H LYS A 54 -8.947 7.922 -1.586 1.00 0.00 H new ATOM 0 HA LYS A 54 -7.155 6.926 -3.612 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -7.634 9.362 -3.066 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -6.768 9.138 -1.559 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -4.692 8.817 -2.651 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -5.448 8.467 -4.193 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -4.799 10.650 -4.577 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -6.406 10.936 -3.939 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -4.825 12.435 -2.842 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -5.448 11.292 -1.670 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -2.909 11.764 -1.833 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -3.460 10.185 -1.538 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -2.958 10.631 -3.097 1.00 0.00 H new ATOM 823 N TRP A 55 -6.554 6.409 -0.440 1.00 0.00 N ATOM 824 CA TRP A 55 -5.704 5.681 0.496 1.00 0.00 C ATOM 825 C TRP A 55 -5.622 4.205 0.122 1.00 0.00 C ATOM 826 O TRP A 55 -4.532 3.648 -0.011 1.00 0.00 O ATOM 827 CB TRP A 55 -6.237 5.829 1.922 1.00 0.00 C ATOM 828 CG TRP A 55 -5.442 5.062 2.936 1.00 0.00 C ATOM 829 CD1 TRP A 55 -4.374 5.518 3.655 1.00 0.00 C ATOM 830 CD2 TRP A 55 -5.650 3.705 3.340 1.00 0.00 C ATOM 831 NE1 TRP A 55 -3.907 4.526 4.483 1.00 0.00 N ATOM 832 CE2 TRP A 55 -4.674 3.404 4.309 1.00 0.00 C ATOM 833 CE3 TRP A 55 -6.570 2.715 2.979 1.00 0.00 C ATOM 834 CZ2 TRP A 55 -4.591 2.154 4.918 1.00 0.00 C ATOM 835 CZ3 TRP A 55 -6.485 1.477 3.585 1.00 0.00 C ATOM 836 CH2 TRP A 55 -5.503 1.204 4.545 1.00 0.00 C ATOM 0 H TRP A 55 -7.393 6.812 -0.022 1.00 0.00 H new ATOM 0 HA TRP A 55 -4.702 6.106 0.444 1.00 0.00 H new ATOM 0 HB2 TRP A 55 -6.238 6.884 2.194 1.00 0.00 H new ATOM 0 HB3 TRP A 55 -7.273 5.491 1.952 1.00 0.00 H new ATOM 0 HD1 TRP A 55 -3.958 6.512 3.583 1.00 0.00 H new ATOM 0 HE1 TRP A 55 -3.118 4.611 5.123 1.00 0.00 H new ATOM 0 HE3 TRP A 55 -7.332 2.915 2.240 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 -3.834 1.942 5.658 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 -7.189 0.705 3.313 1.00 0.00 H new ATOM 0 HH2 TRP A 55 -5.464 0.225 5.000 1.00 0.00 H new ATOM 847 N PHE A 56 -6.781 3.577 -0.047 1.00 0.00 N ATOM 848 CA PHE A 56 -6.839 2.164 -0.405 1.00 0.00 C ATOM 849 C PHE A 56 -5.805 1.832 -1.476 1.00 0.00 C ATOM 850 O PHE A 56 -5.175 0.774 -1.440 1.00 0.00 O ATOM 851 CB PHE A 56 -8.239 1.800 -0.902 1.00 0.00 C ATOM 852 CG PHE A 56 -9.185 1.411 0.199 1.00 0.00 C ATOM 853 CD1 PHE A 56 -9.681 2.365 1.072 1.00 0.00 C ATOM 854 CD2 PHE A 56 -9.575 0.091 0.361 1.00 0.00 C ATOM 855 CE1 PHE A 56 -10.550 2.011 2.087 1.00 0.00 C ATOM 856 CE2 PHE A 56 -10.444 -0.269 1.373 1.00 0.00 C ATOM 857 CZ PHE A 56 -10.932 0.691 2.238 1.00 0.00 C ATOM 0 H PHE A 56 -7.692 4.024 0.058 1.00 0.00 H new ATOM 0 HA PHE A 56 -6.614 1.579 0.487 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -8.655 2.649 -1.444 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -8.161 0.976 -1.611 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -9.385 3.398 0.958 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -9.196 -0.664 -0.311 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -10.930 2.764 2.761 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -10.742 -1.301 1.488 1.00 0.00 H new ATOM 0 HZ PHE A 56 -11.610 0.411 3.030 1.00 0.00 H new ATOM 867 N SER A 57 -5.635 2.742 -2.430 1.00 0.00 N ATOM 868 CA SER A 57 -4.680 2.544 -3.514 1.00 0.00 C ATOM 869 C SER A 57 -3.253 2.483 -2.977 1.00 0.00 C ATOM 870 O SER A 57 -2.429 1.707 -3.462 1.00 0.00 O ATOM 871 CB SER A 57 -4.802 3.672 -4.542 1.00 0.00 C ATOM 872 OG SER A 57 -5.896 3.449 -5.415 1.00 0.00 O ATOM 0 H SER A 57 -6.146 3.624 -2.474 1.00 0.00 H new ATOM 0 HA SER A 57 -4.909 1.594 -3.998 1.00 0.00 H new ATOM 0 HB2 SER A 57 -4.931 4.625 -4.028 1.00 0.00 H new ATOM 0 HB3 SER A 57 -3.880 3.744 -5.119 1.00 0.00 H new ATOM 0 HG SER A 57 -5.954 4.184 -6.061 1.00 0.00 H new ATOM 878 N ASP A 58 -2.970 3.306 -1.975 1.00 0.00 N ATOM 879 CA ASP A 58 -1.643 3.346 -1.370 1.00 0.00 C ATOM 880 C ASP A 58 -1.348 2.049 -0.622 1.00 0.00 C ATOM 881 O ASP A 58 -0.346 1.383 -0.886 1.00 0.00 O ATOM 882 CB ASP A 58 -1.528 4.537 -0.417 1.00 0.00 C ATOM 883 CG ASP A 58 -0.113 4.741 0.087 1.00 0.00 C ATOM 884 OD1 ASP A 58 0.263 4.082 1.079 1.00 0.00 O ATOM 885 OD2 ASP A 58 0.617 5.560 -0.508 1.00 0.00 O ATOM 0 H ASP A 58 -3.641 3.955 -1.564 1.00 0.00 H new ATOM 0 HA ASP A 58 -0.910 3.459 -2.169 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -1.863 5.440 -0.927 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -2.195 4.385 0.432 1.00 0.00 H new ATOM 890 N ARG A 59 -2.225 1.698 0.312 1.00 0.00 N ATOM 891 CA ARG A 59 -2.057 0.483 1.101 1.00 0.00 C ATOM 892 C ARG A 59 -1.661 -0.691 0.211 1.00 0.00 C ATOM 893 O ARG A 59 -0.630 -1.328 0.428 1.00 0.00 O ATOM 894 CB ARG A 59 -3.349 0.155 1.852 1.00 0.00 C ATOM 895 CG ARG A 59 -3.143 -0.769 3.041 1.00 0.00 C ATOM 896 CD ARG A 59 -3.069 -2.225 2.607 1.00 0.00 C ATOM 897 NE ARG A 59 -1.705 -2.631 2.281 1.00 0.00 N ATOM 898 CZ ARG A 59 -0.781 -2.906 3.195 1.00 0.00 C ATOM 899 NH1 ARG A 59 -1.075 -2.820 4.486 1.00 0.00 N ATOM 900 NH2 ARG A 59 0.439 -3.269 2.820 1.00 0.00 N ATOM 0 H ARG A 59 -3.060 2.238 0.541 1.00 0.00 H new ATOM 0 HA ARG A 59 -1.259 0.655 1.823 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -3.804 1.083 2.198 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -4.054 -0.307 1.161 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -2.225 -0.496 3.561 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -3.961 -0.640 3.750 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -3.456 -2.861 3.404 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -3.710 -2.377 1.738 1.00 0.00 H new ATOM 0 HE ARG A 59 -1.447 -2.708 1.297 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -2.012 -2.542 4.778 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -0.364 -3.032 5.186 1.00 0.00 H new ATOM 0 HH21 ARG A 59 0.669 -3.337 1.829 1.00 0.00 H new ATOM 0 HH22 ARG A 59 1.147 -3.480 3.523 1.00 0.00 H new ATOM 914 N ARG A 60 -2.489 -0.973 -0.791 1.00 0.00 N ATOM 915 CA ARG A 60 -2.226 -2.072 -1.712 1.00 0.00 C ATOM 916 C ARG A 60 -1.021 -1.765 -2.596 1.00 0.00 C ATOM 917 O ARG A 60 -0.173 -2.626 -2.829 1.00 0.00 O ATOM 918 CB ARG A 60 -3.455 -2.340 -2.583 1.00 0.00 C ATOM 919 CG ARG A 60 -3.769 -1.215 -3.555 1.00 0.00 C ATOM 920 CD ARG A 60 -5.073 -1.468 -4.296 1.00 0.00 C ATOM 921 NE ARG A 60 -4.878 -2.299 -5.481 1.00 0.00 N ATOM 922 CZ ARG A 60 -4.271 -1.875 -6.584 1.00 0.00 C ATOM 923 NH1 ARG A 60 -3.802 -0.636 -6.653 1.00 0.00 N ATOM 924 NH2 ARG A 60 -4.132 -2.691 -7.621 1.00 0.00 N ATOM 0 H ARG A 60 -3.346 -0.456 -0.985 1.00 0.00 H new ATOM 0 HA ARG A 60 -2.005 -2.962 -1.122 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -3.298 -3.261 -3.145 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -4.318 -2.503 -1.938 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -3.834 -0.272 -3.013 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -2.955 -1.115 -4.273 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -5.782 -1.954 -3.626 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -5.513 -0.515 -4.590 1.00 0.00 H new ATOM 0 HE ARG A 60 -5.227 -3.257 -5.461 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -3.907 -0.006 -5.858 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -3.336 -0.313 -7.501 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -4.491 -3.644 -7.572 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -3.666 -2.365 -8.468 1.00 0.00 H new ATOM 938 N TYR A 61 -0.951 -0.531 -3.084 1.00 0.00 N ATOM 939 CA TYR A 61 0.148 -0.110 -3.945 1.00 0.00 C ATOM 940 C TYR A 61 1.483 -0.621 -3.411 1.00 0.00 C ATOM 941 O TYR A 61 2.269 -1.222 -4.145 1.00 0.00 O ATOM 942 CB TYR A 61 0.181 1.415 -4.057 1.00 0.00 C ATOM 943 CG TYR A 61 1.490 1.954 -4.586 1.00 0.00 C ATOM 944 CD1 TYR A 61 1.929 1.636 -5.866 1.00 0.00 C ATOM 945 CD2 TYR A 61 2.287 2.784 -3.807 1.00 0.00 C ATOM 946 CE1 TYR A 61 3.125 2.128 -6.353 1.00 0.00 C ATOM 947 CE2 TYR A 61 3.485 3.280 -4.286 1.00 0.00 C ATOM 948 CZ TYR A 61 3.900 2.949 -5.560 1.00 0.00 C ATOM 949 OH TYR A 61 5.091 3.441 -6.042 1.00 0.00 O ATOM 0 H TYR A 61 -1.643 0.195 -2.898 1.00 0.00 H new ATOM 0 HA TYR A 61 -0.015 -0.536 -4.935 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -0.628 1.741 -4.712 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -0.010 1.847 -3.075 1.00 0.00 H new ATOM 0 HD1 TYR A 61 1.325 0.994 -6.490 1.00 0.00 H new ATOM 0 HD2 TYR A 61 1.965 3.046 -2.810 1.00 0.00 H new ATOM 0 HE1 TYR A 61 3.452 1.871 -7.350 1.00 0.00 H new ATOM 0 HE2 TYR A 61 4.093 3.923 -3.667 1.00 0.00 H new ATOM 0 HH TYR A 61 5.513 4.003 -5.359 1.00 0.00 H new ATOM 959 N HIS A 62 1.733 -0.378 -2.129 1.00 0.00 N ATOM 960 CA HIS A 62 2.972 -0.814 -1.494 1.00 0.00 C ATOM 961 C HIS A 62 3.174 -2.316 -1.672 1.00 0.00 C ATOM 962 O HIS A 62 4.264 -2.768 -2.025 1.00 0.00 O ATOM 963 CB HIS A 62 2.959 -0.462 -0.007 1.00 0.00 C ATOM 964 CG HIS A 62 4.326 -0.389 0.603 1.00 0.00 C ATOM 965 ND1 HIS A 62 4.898 -1.129 1.582 1.00 0.00 N flip ATOM 966 CD2 HIS A 62 5.276 0.529 0.213 1.00 0.00 C flip ATOM 967 CE1 HIS A 62 6.172 -0.649 1.763 1.00 0.00 C flip ATOM 968 NE2 HIS A 62 6.375 0.351 0.924 1.00 0.00 N flip ATOM 0 H HIS A 62 1.094 0.119 -1.509 1.00 0.00 H new ATOM 0 HA HIS A 62 3.801 -0.294 -1.975 1.00 0.00 H new ATOM 0 HB2 HIS A 62 2.459 0.497 0.127 1.00 0.00 H new ATOM 0 HB3 HIS A 62 2.370 -1.206 0.529 1.00 0.00 H new ATOM 0 HD1 HIS A 62 4.464 -1.899 2.090 1.00 0.00 H new ATOM 0 HD2 HIS A 62 5.143 1.277 -0.554 1.00 0.00 H new ATOM 0 HE1 HIS A 62 6.891 -1.027 2.475 1.00 0.00 H new ATOM 977 N CYS A 63 2.119 -3.083 -1.426 1.00 0.00 N ATOM 978 CA CYS A 63 2.180 -4.535 -1.557 1.00 0.00 C ATOM 979 C CYS A 63 2.799 -4.934 -2.893 1.00 0.00 C ATOM 980 O CYS A 63 3.619 -5.849 -2.960 1.00 0.00 O ATOM 981 CB CYS A 63 0.782 -5.140 -1.428 1.00 0.00 C ATOM 982 SG CYS A 63 0.775 -6.894 -0.991 1.00 0.00 S ATOM 0 H CYS A 63 1.210 -2.724 -1.134 1.00 0.00 H new ATOM 0 HA CYS A 63 2.809 -4.921 -0.755 1.00 0.00 H new ATOM 0 HB2 CYS A 63 0.226 -4.586 -0.672 1.00 0.00 H new ATOM 0 HB3 CYS A 63 0.253 -5.010 -2.372 1.00 0.00 H new ATOM 0 HG CYS A 63 -0.452 -7.314 -0.903 1.00 0.00 H new ATOM 988 N ARG A 64 2.398 -4.241 -3.955 1.00 0.00 N ATOM 989 CA ARG A 64 2.911 -4.525 -5.290 1.00 0.00 C ATOM 990 C ARG A 64 4.393 -4.883 -5.238 1.00 0.00 C ATOM 991 O ARG A 64 4.821 -5.883 -5.813 1.00 0.00 O ATOM 992 CB ARG A 64 2.697 -3.321 -6.208 1.00 0.00 C ATOM 993 CG ARG A 64 1.240 -2.907 -6.339 1.00 0.00 C ATOM 994 CD ARG A 64 1.041 -1.924 -7.483 1.00 0.00 C ATOM 995 NE ARG A 64 1.642 -2.402 -8.726 1.00 0.00 N ATOM 996 CZ ARG A 64 1.036 -3.238 -9.560 1.00 0.00 C ATOM 997 NH1 ARG A 64 -0.181 -3.688 -9.287 1.00 0.00 N ATOM 998 NH2 ARG A 64 1.648 -3.628 -10.672 1.00 0.00 N ATOM 0 H ARG A 64 1.720 -3.480 -3.916 1.00 0.00 H new ATOM 0 HA ARG A 64 2.363 -5.379 -5.689 1.00 0.00 H new ATOM 0 HB2 ARG A 64 3.273 -2.477 -5.827 1.00 0.00 H new ATOM 0 HB3 ARG A 64 3.090 -3.555 -7.197 1.00 0.00 H new ATOM 0 HG2 ARG A 64 0.623 -3.790 -6.505 1.00 0.00 H new ATOM 0 HG3 ARG A 64 0.904 -2.454 -5.406 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -0.025 -1.757 -7.636 1.00 0.00 H new ATOM 0 HD3 ARG A 64 1.479 -0.962 -7.215 1.00 0.00 H new ATOM 0 HE ARG A 64 2.578 -2.076 -8.966 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -0.655 -3.392 -8.434 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -0.643 -4.330 -9.930 1.00 0.00 H new ATOM 0 HH21 ARG A 64 2.585 -3.285 -10.886 1.00 0.00 H new ATOM 0 HH22 ARG A 64 1.182 -4.270 -11.312 1.00 0.00 H new ATOM 1012 N ASN A 65 5.172 -4.057 -4.548 1.00 0.00 N ATOM 1013 CA ASN A 65 6.607 -4.285 -4.423 1.00 0.00 C ATOM 1014 C ASN A 65 7.067 -4.079 -2.982 1.00 0.00 C ATOM 1015 O ASN A 65 6.759 -3.062 -2.359 1.00 0.00 O ATOM 1016 CB ASN A 65 7.377 -3.346 -5.354 1.00 0.00 C ATOM 1017 CG ASN A 65 8.879 -3.490 -5.205 1.00 0.00 C ATOM 1018 OD1 ASN A 65 9.500 -4.334 -5.852 1.00 0.00 O ATOM 1019 ND2 ASN A 65 9.471 -2.662 -4.352 1.00 0.00 N ATOM 0 H ASN A 65 4.834 -3.224 -4.067 1.00 0.00 H new ATOM 0 HA ASN A 65 6.812 -5.317 -4.708 1.00 0.00 H new ATOM 0 HB2 ASN A 65 7.096 -3.551 -6.387 1.00 0.00 H new ATOM 0 HB3 ASN A 65 7.091 -2.315 -5.144 1.00 0.00 H new ATOM 0 HD21 ASN A 65 10.480 -2.710 -4.212 1.00 0.00 H new ATOM 0 HD22 ASN A 65 8.917 -1.978 -3.837 1.00 0.00 H new ATOM 1026 N LEU A 66 7.806 -5.051 -2.459 1.00 0.00 N ATOM 1027 CA LEU A 66 8.309 -4.978 -1.091 1.00 0.00 C ATOM 1028 C LEU A 66 9.835 -4.970 -1.073 1.00 0.00 C ATOM 1029 O LEU A 66 10.480 -5.201 -2.095 1.00 0.00 O ATOM 1030 CB LEU A 66 7.784 -6.155 -0.269 1.00 0.00 C ATOM 1031 CG LEU A 66 6.386 -5.986 0.329 1.00 0.00 C ATOM 1032 CD1 LEU A 66 6.382 -4.880 1.373 1.00 0.00 C ATOM 1033 CD2 LEU A 66 5.371 -5.692 -0.766 1.00 0.00 C ATOM 0 H LEU A 66 8.070 -5.899 -2.961 1.00 0.00 H new ATOM 0 HA LEU A 66 7.953 -4.048 -0.648 1.00 0.00 H new ATOM 0 HB2 LEU A 66 7.782 -7.042 -0.902 1.00 0.00 H new ATOM 0 HB3 LEU A 66 8.485 -6.346 0.544 1.00 0.00 H new ATOM 0 HG LEU A 66 6.105 -6.919 0.817 1.00 0.00 H new ATOM 0 HD11 LEU A 66 5.379 -4.774 1.787 1.00 0.00 H new ATOM 0 HD12 LEU A 66 7.080 -5.131 2.172 1.00 0.00 H new ATOM 0 HD13 LEU A 66 6.684 -3.941 0.909 1.00 0.00 H new ATOM 0 HD21 LEU A 66 4.382 -5.575 -0.323 1.00 0.00 H new ATOM 0 HD22 LEU A 66 5.649 -4.773 -1.282 1.00 0.00 H new ATOM 0 HD23 LEU A 66 5.354 -6.517 -1.478 1.00 0.00 H new ATOM 1045 N LYS A 67 10.406 -4.705 0.097 1.00 0.00 N ATOM 1046 CA LYS A 67 11.855 -4.671 0.252 1.00 0.00 C ATOM 1047 C LYS A 67 12.453 -6.062 0.073 1.00 0.00 C ATOM 1048 O LYS A 67 11.730 -7.050 -0.047 1.00 0.00 O ATOM 1049 CB LYS A 67 12.229 -4.117 1.628 1.00 0.00 C ATOM 1050 CG LYS A 67 12.311 -2.600 1.671 1.00 0.00 C ATOM 1051 CD LYS A 67 10.958 -1.977 1.972 1.00 0.00 C ATOM 1052 CE LYS A 67 10.169 -1.716 0.698 1.00 0.00 C ATOM 1053 NZ LYS A 67 9.201 -0.597 0.865 1.00 0.00 N ATOM 0 H LYS A 67 9.886 -4.510 0.953 1.00 0.00 H new ATOM 0 HA LYS A 67 12.263 -4.017 -0.519 1.00 0.00 H new ATOM 0 HB2 LYS A 67 11.493 -4.454 2.358 1.00 0.00 H new ATOM 0 HB3 LYS A 67 13.190 -4.533 1.929 1.00 0.00 H new ATOM 0 HG2 LYS A 67 13.030 -2.295 2.431 1.00 0.00 H new ATOM 0 HG3 LYS A 67 12.680 -2.227 0.715 1.00 0.00 H new ATOM 0 HD2 LYS A 67 10.389 -2.639 2.625 1.00 0.00 H new ATOM 0 HD3 LYS A 67 11.099 -1.041 2.512 1.00 0.00 H new ATOM 0 HE2 LYS A 67 10.857 -1.483 -0.114 1.00 0.00 H new ATOM 0 HE3 LYS A 67 9.633 -2.621 0.411 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 8.372 -0.762 0.259 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 8.899 -0.545 1.859 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 9.655 0.298 0.594 1.00 0.00 H new ATOM 1067 N GLY A 68 13.781 -6.133 0.057 1.00 0.00 N ATOM 1068 CA GLY A 68 14.455 -7.408 -0.105 1.00 0.00 C ATOM 1069 C GLY A 68 15.185 -7.512 -1.429 1.00 0.00 C ATOM 1070 O GLY A 68 14.561 -7.643 -2.482 1.00 0.00 O ATOM 0 H GLY A 68 14.402 -5.330 0.153 1.00 0.00 H new ATOM 0 HA2 GLY A 68 15.165 -7.546 0.710 1.00 0.00 H new ATOM 0 HA3 GLY A 68 13.725 -8.214 -0.032 1.00 0.00 H new ATOM 1074 N SER A 69 16.513 -7.454 -1.378 1.00 0.00 N ATOM 1075 CA SER A 69 17.329 -7.537 -2.583 1.00 0.00 C ATOM 1076 C SER A 69 17.899 -8.941 -2.757 1.00 0.00 C ATOM 1077 O SER A 69 17.756 -9.554 -3.816 1.00 0.00 O ATOM 1078 CB SER A 69 18.467 -6.516 -2.526 1.00 0.00 C ATOM 1079 OG SER A 69 17.980 -5.198 -2.703 1.00 0.00 O ATOM 0 H SER A 69 17.046 -7.350 -0.514 1.00 0.00 H new ATOM 0 HA SER A 69 16.692 -7.313 -3.439 1.00 0.00 H new ATOM 0 HB2 SER A 69 18.980 -6.592 -1.567 1.00 0.00 H new ATOM 0 HB3 SER A 69 19.202 -6.742 -3.299 1.00 0.00 H new ATOM 0 HG SER A 69 18.727 -4.565 -2.661 1.00 0.00 H new ATOM 1085 N ARG A 70 18.543 -9.445 -1.711 1.00 0.00 N ATOM 1086 CA ARG A 70 19.136 -10.777 -1.747 1.00 0.00 C ATOM 1087 C ARG A 70 18.063 -11.844 -1.946 1.00 0.00 C ATOM 1088 O ARG A 70 18.209 -12.737 -2.781 1.00 0.00 O ATOM 1089 CB ARG A 70 19.909 -11.050 -0.456 1.00 0.00 C ATOM 1090 CG ARG A 70 21.336 -10.527 -0.478 1.00 0.00 C ATOM 1091 CD ARG A 70 22.090 -10.909 0.787 1.00 0.00 C ATOM 1092 NE ARG A 70 21.607 -10.175 1.954 1.00 0.00 N ATOM 1093 CZ ARG A 70 21.911 -8.906 2.200 1.00 0.00 C ATOM 1094 NH1 ARG A 70 22.691 -8.233 1.366 1.00 0.00 N ATOM 1095 NH2 ARG A 70 21.432 -8.306 3.283 1.00 0.00 N ATOM 0 H ARG A 70 18.668 -8.952 -0.827 1.00 0.00 H new ATOM 0 HA ARG A 70 19.826 -10.818 -2.590 1.00 0.00 H new ATOM 0 HB2 ARG A 70 19.377 -10.594 0.379 1.00 0.00 H new ATOM 0 HB3 ARG A 70 19.928 -12.125 -0.274 1.00 0.00 H new ATOM 0 HG2 ARG A 70 21.857 -10.926 -1.348 1.00 0.00 H new ATOM 0 HG3 ARG A 70 21.325 -9.442 -0.583 1.00 0.00 H new ATOM 0 HD2 ARG A 70 21.985 -11.980 0.963 1.00 0.00 H new ATOM 0 HD3 ARG A 70 23.153 -10.712 0.649 1.00 0.00 H new ATOM 0 HE ARG A 70 21.004 -10.664 2.616 1.00 0.00 H new ATOM 0 HH11 ARG A 70 23.060 -8.690 0.532 1.00 0.00 H new ATOM 0 HH12 ARG A 70 22.922 -7.258 1.558 1.00 0.00 H new ATOM 0 HH21 ARG A 70 20.830 -8.820 3.927 1.00 0.00 H new ATOM 0 HH22 ARG A 70 21.666 -7.331 3.472 1.00 0.00 H new ATOM 1109 N SER A 71 16.988 -11.745 -1.173 1.00 0.00 N ATOM 1110 CA SER A 71 15.892 -12.704 -1.260 1.00 0.00 C ATOM 1111 C SER A 71 15.040 -12.444 -2.499 1.00 0.00 C ATOM 1112 O SER A 71 14.589 -11.323 -2.732 1.00 0.00 O ATOM 1113 CB SER A 71 15.022 -12.632 -0.004 1.00 0.00 C ATOM 1114 OG SER A 71 13.944 -13.550 -0.077 1.00 0.00 O ATOM 0 H SER A 71 16.851 -11.010 -0.479 1.00 0.00 H new ATOM 0 HA SER A 71 16.321 -13.703 -1.339 1.00 0.00 H new ATOM 0 HB2 SER A 71 15.629 -12.848 0.875 1.00 0.00 H new ATOM 0 HB3 SER A 71 14.635 -11.620 0.117 1.00 0.00 H new ATOM 0 HG SER A 71 13.404 -13.486 0.738 1.00 0.00 H new ATOM 1120 N GLY A 72 14.824 -13.489 -3.291 1.00 0.00 N ATOM 1121 CA GLY A 72 14.027 -13.354 -4.497 1.00 0.00 C ATOM 1122 C GLY A 72 12.624 -13.901 -4.328 1.00 0.00 C ATOM 1123 O GLY A 72 11.706 -13.195 -3.908 1.00 0.00 O ATOM 0 H GLY A 72 15.186 -14.427 -3.120 1.00 0.00 H new ATOM 0 HA2 GLY A 72 13.972 -12.302 -4.777 1.00 0.00 H new ATOM 0 HA3 GLY A 72 14.521 -13.877 -5.316 1.00 0.00 H new ATOM 1127 N PRO A 73 12.441 -15.187 -4.662 1.00 0.00 N ATOM 1128 CA PRO A 73 11.141 -15.855 -4.556 1.00 0.00 C ATOM 1129 C PRO A 73 10.718 -16.071 -3.107 1.00 0.00 C ATOM 1130 O PRO A 73 11.168 -17.010 -2.451 1.00 0.00 O ATOM 1131 CB PRO A 73 11.375 -17.200 -5.249 1.00 0.00 C ATOM 1132 CG PRO A 73 12.840 -17.442 -5.120 1.00 0.00 C ATOM 1133 CD PRO A 73 13.490 -16.088 -5.171 1.00 0.00 C ATOM 0 HA PRO A 73 10.341 -15.263 -5.002 1.00 0.00 H new ATOM 0 HB2 PRO A 73 10.799 -17.995 -4.775 1.00 0.00 H new ATOM 0 HB3 PRO A 73 11.070 -17.165 -6.295 1.00 0.00 H new ATOM 0 HG2 PRO A 73 13.070 -17.950 -4.184 1.00 0.00 H new ATOM 0 HG3 PRO A 73 13.203 -18.079 -5.926 1.00 0.00 H new ATOM 0 HD2 PRO A 73 14.387 -16.049 -4.553 1.00 0.00 H new ATOM 0 HD3 PRO A 73 13.789 -15.824 -6.185 1.00 0.00 H new ATOM 1141 N SER A 74 9.848 -15.195 -2.613 1.00 0.00 N ATOM 1142 CA SER A 74 9.365 -15.287 -1.240 1.00 0.00 C ATOM 1143 C SER A 74 8.578 -16.576 -1.026 1.00 0.00 C ATOM 1144 O SER A 74 7.455 -16.717 -1.511 1.00 0.00 O ATOM 1145 CB SER A 74 8.491 -14.079 -0.902 1.00 0.00 C ATOM 1146 OG SER A 74 9.274 -12.908 -0.750 1.00 0.00 O ATOM 0 H SER A 74 9.463 -14.413 -3.144 1.00 0.00 H new ATOM 0 HA SER A 74 10.230 -15.296 -0.577 1.00 0.00 H new ATOM 0 HB2 SER A 74 7.754 -13.927 -1.691 1.00 0.00 H new ATOM 0 HB3 SER A 74 7.938 -14.272 0.017 1.00 0.00 H new ATOM 0 HG SER A 74 8.691 -12.150 -0.536 1.00 0.00 H new ATOM 1152 N SER A 75 9.175 -17.513 -0.296 1.00 0.00 N ATOM 1153 CA SER A 75 8.531 -18.792 -0.021 1.00 0.00 C ATOM 1154 C SER A 75 7.074 -18.591 0.385 1.00 0.00 C ATOM 1155 O SER A 75 6.713 -17.565 0.958 1.00 0.00 O ATOM 1156 CB SER A 75 9.282 -19.537 1.084 1.00 0.00 C ATOM 1157 OG SER A 75 9.377 -18.748 2.257 1.00 0.00 O ATOM 0 H SER A 75 10.103 -17.410 0.115 1.00 0.00 H new ATOM 0 HA SER A 75 8.556 -19.387 -0.934 1.00 0.00 H new ATOM 0 HB2 SER A 75 8.768 -20.471 1.311 1.00 0.00 H new ATOM 0 HB3 SER A 75 10.281 -19.799 0.736 1.00 0.00 H new ATOM 0 HG SER A 75 9.860 -19.247 2.949 1.00 0.00 H new ATOM 1163 N GLY A 76 6.240 -19.582 0.081 1.00 0.00 N ATOM 1164 CA GLY A 76 4.832 -19.495 0.421 1.00 0.00 C ATOM 1165 C GLY A 76 3.943 -20.143 -0.623 1.00 0.00 C ATOM 1166 O GLY A 76 3.968 -21.361 -0.801 1.00 0.00 O ATOM 0 H GLY A 76 6.514 -20.442 -0.394 1.00 0.00 H new ATOM 0 HA2 GLY A 76 4.664 -19.974 1.385 1.00 0.00 H new ATOM 0 HA3 GLY A 76 4.552 -18.447 0.533 1.00 0.00 H new TER 1170 GLY A 76