USER MOD reduce.3.24.130724 H: found=0, std=0, add=685, rem=0, adj=37 USER MOD reduce.3.24.130724 removed 679 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 91 THR OG1 : rot 180:sc= 0.569 USER MOD Set 1.2: A 93 THR OG1 : rot 180:sc= 0.00545 USER MOD Set 2.1: A 92 HIS : no HD1:sc= -5.26! C(o=-10!,f=-9.8!) USER MOD Set 2.2: A 98 ASN : amide:sc= -4.73! K(o=-10!,f=-6) USER MOD Set 3.1: A 81 ASN : amide:sc= -28! C(o=-59!,f=-25!) USER MOD Set 3.2: A 83 ASN : amide:sc= -20.4! C(o=-59!,f=-25!) USER MOD Set 3.3: A 85 GLN : amide:sc= -10.3! K(o=-59!,f=-27) USER MOD Set 4.1: A 35 SER OG : rot -137:sc= -3.66! USER MOD Set 4.2: A 68 TYR OH : rot 133:sc= -2.77! USER MOD Set 5.1: A 27 HIS : no HE2:sc= -11.4! C(o=-15!,f=-20!) USER MOD Set 5.2: A 57 TYR OH : rot -127:sc= -3.67! USER MOD Set 6.1: A 36 ASN : amide:sc= 1.61 K(o=1.9,f=-1.5!) USER MOD Set 6.2: A 38 TYR OH : rot 180:sc= 0.246 USER MOD Set 7.1: A 6 CYS SG : rot -31:sc= -19.9! USER MOD Set 7.2: A 9 ASN : amide:sc= -16.9! C(o=-77!,f=-79!) USER MOD Set 7.3: A 11 TYR OH : rot 58:sc= -7.5! USER MOD Set 7.4: A 103 CYS SG : rot -163:sc= -33! USER MOD Set 8.1: A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 8.2: A 2 CYS SG : rot 180:sc= 0.691 USER MOD Set 8.3: A 10 CYS SG : rot 103:sc= -6.85! USER MOD Single : A 4 TYR OH : rot -79:sc= 0.0811 USER MOD Single : A 5 THR OG1 : rot -71:sc= 0.54 USER MOD Single : A 8 SER OG : rot 71:sc= 1.05 USER MOD Single : A 12 SER OG : rot 47:sc= 1.14 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 104:sc= 0.05 USER MOD Single : A 20 GLN : amide:sc= -21.2! C(o=-21!,f=-23!) USER MOD Single : A 24 TYR OH : rot 94:sc= 0.708 USER MOD Single : A 25 LYS NZ :NH3+ 145:sc= 0.191 (180deg=0.00699) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 66:sc= 0.575 USER MOD Single : A 40 HIS : no HD1:sc= -11.4! C(o=-11!,f=-13!) USER MOD Single : A 41 LYS NZ :NH3+ -149:sc= -0.177 (180deg=-1.02) USER MOD Single : A 42 TYR OH : rot -153:sc= -1.76! USER MOD Single : A 43 ASN : amide:sc= -1.03 K(o=-1,f=-0.026) USER MOD Single : A 44 ASN : amide:sc= -2.57! K(o=-2.6!,f=-0.69) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= 0.0057 USER MOD Single : A 56 TYR OH : rot 5:sc= 0.882 USER MOD Single : A 63 SER OG : rot -42:sc= 0.038 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 60:sc= 0.241 USER MOD Single : A 84 ASN : amide:sc= -14.3! C(o=-14!,f=-7.5!) USER MOD Single : A 96 SER OG : rot -67:sc= 1.1 USER MOD Single : A 99 ASN : amide:sc= -24.8! C(o=-25!,f=-18!) USER MOD Single : A 104 THR OG1 : rot -73:sc= -0.346! USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -6.842 -16.185 -7.618 1.00 0.00 N ATOM 2 CA ALA A 1 -7.178 -14.773 -7.591 1.00 0.00 C ATOM 3 C ALA A 1 -6.198 -14.036 -6.676 1.00 0.00 C ATOM 4 O ALA A 1 -6.519 -13.742 -5.525 1.00 0.00 O ATOM 5 CB ALA A 1 -8.632 -14.601 -7.146 1.00 0.00 C ATOM 0 H1 ALA A 1 -7.507 -16.688 -8.239 1.00 0.00 H new ATOM 0 H2 ALA A 1 -5.874 -16.305 -7.978 1.00 0.00 H new ATOM 0 H3 ALA A 1 -6.904 -16.575 -6.656 1.00 0.00 H new ATOM 0 HA ALA A 1 -7.089 -14.340 -8.587 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -8.883 -13.541 -7.126 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -9.290 -15.117 -7.845 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -8.760 -15.023 -6.149 1.00 0.00 H new ATOM 11 N CYS A 2 -5.023 -13.759 -7.221 1.00 0.00 N ATOM 12 CA CYS A 2 -3.993 -13.063 -6.468 1.00 0.00 C ATOM 13 C CYS A 2 -3.717 -11.724 -7.156 1.00 0.00 C ATOM 14 O CYS A 2 -2.601 -11.474 -7.608 1.00 0.00 O ATOM 15 CB CYS A 2 -2.724 -13.906 -6.331 1.00 0.00 C ATOM 16 SG CYS A 2 -2.862 -15.612 -6.982 1.00 0.00 S ATOM 0 H CYS A 2 -4.761 -14.004 -8.176 1.00 0.00 H new ATOM 0 HA CYS A 2 -4.342 -12.883 -5.451 1.00 0.00 H new ATOM 0 HB2 CYS A 2 -1.910 -13.399 -6.849 1.00 0.00 H new ATOM 0 HB3 CYS A 2 -2.449 -13.955 -5.277 1.00 0.00 H new ATOM 0 HG CYS A 2 -1.732 -16.232 -6.816 1.00 0.00 H new ATOM 21 N ASP A 3 -4.752 -10.901 -7.213 1.00 0.00 N ATOM 22 CA ASP A 3 -4.636 -9.594 -7.839 1.00 0.00 C ATOM 23 C ASP A 3 -3.286 -8.975 -7.469 1.00 0.00 C ATOM 24 O ASP A 3 -2.740 -8.172 -8.222 1.00 0.00 O ATOM 25 CB ASP A 3 -5.738 -8.650 -7.354 1.00 0.00 C ATOM 26 CG ASP A 3 -7.163 -9.099 -7.680 1.00 0.00 C ATOM 27 OD1 ASP A 3 -7.438 -10.303 -7.489 1.00 0.00 O ATOM 28 OD2 ASP A 3 -7.947 -8.227 -8.114 1.00 0.00 O ATOM 0 H ASP A 3 -5.676 -11.113 -6.836 1.00 0.00 H new ATOM 0 HA ASP A 3 -4.725 -9.727 -8.917 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -5.648 -8.535 -6.274 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -5.573 -7.667 -7.794 1.00 0.00 H new ATOM 33 N TYR A 4 -2.788 -9.372 -6.307 1.00 0.00 N ATOM 34 CA TYR A 4 -1.513 -8.867 -5.827 1.00 0.00 C ATOM 35 C TYR A 4 -0.694 -9.980 -5.171 1.00 0.00 C ATOM 36 O TYR A 4 -1.081 -10.508 -4.128 1.00 0.00 O ATOM 37 CB TYR A 4 -1.848 -7.807 -4.775 1.00 0.00 C ATOM 38 CG TYR A 4 -2.666 -6.632 -5.314 1.00 0.00 C ATOM 39 CD1 TYR A 4 -2.041 -5.621 -6.015 1.00 0.00 C ATOM 40 CD2 TYR A 4 -4.028 -6.584 -5.099 1.00 0.00 C ATOM 41 CE1 TYR A 4 -2.811 -4.514 -6.521 1.00 0.00 C ATOM 42 CE2 TYR A 4 -4.798 -5.477 -5.605 1.00 0.00 C ATOM 43 CZ TYR A 4 -4.152 -4.497 -6.292 1.00 0.00 C ATOM 44 OH TYR A 4 -4.879 -3.452 -6.771 1.00 0.00 O ATOM 0 H TYR A 4 -3.245 -10.038 -5.684 1.00 0.00 H new ATOM 0 HA TYR A 4 -0.924 -8.465 -6.652 1.00 0.00 H new ATOM 0 HB2 TYR A 4 -2.400 -8.278 -3.962 1.00 0.00 H new ATOM 0 HB3 TYR A 4 -0.920 -7.425 -4.350 1.00 0.00 H new ATOM 0 HD1 TYR A 4 -0.975 -5.660 -6.184 1.00 0.00 H new ATOM 0 HD2 TYR A 4 -4.517 -7.376 -4.551 1.00 0.00 H new ATOM 0 HE1 TYR A 4 -2.335 -3.715 -7.070 1.00 0.00 H new ATOM 0 HE2 TYR A 4 -5.865 -5.426 -5.443 1.00 0.00 H new ATOM 0 HH TYR A 4 -4.766 -2.677 -6.181 1.00 0.00 H new ATOM 54 N THR A 5 0.422 -10.304 -5.807 1.00 0.00 N ATOM 55 CA THR A 5 1.298 -11.345 -5.298 1.00 0.00 C ATOM 56 C THR A 5 2.708 -10.793 -5.075 1.00 0.00 C ATOM 57 O THR A 5 3.453 -10.578 -6.029 1.00 0.00 O ATOM 58 CB THR A 5 1.255 -12.521 -6.275 1.00 0.00 C ATOM 59 OG1 THR A 5 0.334 -13.431 -5.681 1.00 0.00 O ATOM 60 CG2 THR A 5 2.572 -13.297 -6.317 1.00 0.00 C ATOM 0 H THR A 5 0.740 -9.864 -6.671 1.00 0.00 H new ATOM 0 HA THR A 5 0.963 -11.701 -4.324 1.00 0.00 H new ATOM 0 HB THR A 5 1.019 -12.154 -7.274 1.00 0.00 H new ATOM 0 HG1 THR A 5 0.740 -13.834 -4.885 1.00 0.00 H new ATOM 0 HG21 THR A 5 2.487 -14.121 -7.026 1.00 0.00 H new ATOM 0 HG22 THR A 5 3.377 -12.631 -6.629 1.00 0.00 H new ATOM 0 HG23 THR A 5 2.793 -13.693 -5.326 1.00 0.00 H new ATOM 68 N CYS A 6 3.032 -10.578 -3.808 1.00 0.00 N ATOM 69 CA CYS A 6 4.338 -10.055 -3.447 1.00 0.00 C ATOM 70 C CYS A 6 5.345 -11.206 -3.491 1.00 0.00 C ATOM 71 O CYS A 6 5.930 -11.562 -2.469 1.00 0.00 O ATOM 72 CB CYS A 6 4.315 -9.368 -2.081 1.00 0.00 C ATOM 73 SG CYS A 6 3.689 -7.648 -2.097 1.00 0.00 S ATOM 0 H CYS A 6 2.412 -10.757 -3.018 1.00 0.00 H new ATOM 0 HA CYS A 6 4.635 -9.287 -4.161 1.00 0.00 H new ATOM 0 HB2 CYS A 6 3.698 -9.958 -1.404 1.00 0.00 H new ATOM 0 HB3 CYS A 6 5.326 -9.368 -1.673 1.00 0.00 H new ATOM 0 HG CYS A 6 3.985 -7.089 -3.233 1.00 0.00 H new ATOM 78 N GLY A 7 5.515 -11.756 -4.683 1.00 0.00 N ATOM 79 CA GLY A 7 6.441 -12.860 -4.873 1.00 0.00 C ATOM 80 C GLY A 7 5.772 -14.199 -4.555 1.00 0.00 C ATOM 81 O GLY A 7 5.846 -15.138 -5.345 1.00 0.00 O ATOM 0 H GLY A 7 5.027 -11.458 -5.528 1.00 0.00 H new ATOM 0 HA2 GLY A 7 6.801 -12.865 -5.902 1.00 0.00 H new ATOM 0 HA3 GLY A 7 7.312 -12.723 -4.232 1.00 0.00 H new ATOM 85 N SER A 8 5.132 -14.243 -3.395 1.00 0.00 N ATOM 86 CA SER A 8 4.450 -15.450 -2.964 1.00 0.00 C ATOM 87 C SER A 8 3.294 -15.092 -2.026 1.00 0.00 C ATOM 88 O SER A 8 3.157 -15.677 -0.953 1.00 0.00 O ATOM 89 CB SER A 8 5.417 -16.411 -2.269 1.00 0.00 C ATOM 90 OG SER A 8 5.449 -16.209 -0.859 1.00 0.00 O ATOM 0 H SER A 8 5.072 -13.462 -2.741 1.00 0.00 H new ATOM 0 HA SER A 8 4.053 -15.951 -3.847 1.00 0.00 H new ATOM 0 HB2 SER A 8 5.122 -17.439 -2.481 1.00 0.00 H new ATOM 0 HB3 SER A 8 6.419 -16.276 -2.677 1.00 0.00 H new ATOM 0 HG SER A 8 4.610 -16.527 -0.464 1.00 0.00 H new ATOM 96 N ASN A 9 2.493 -14.132 -2.467 1.00 0.00 N ATOM 97 CA ASN A 9 1.354 -13.689 -1.682 1.00 0.00 C ATOM 98 C ASN A 9 0.084 -13.797 -2.527 1.00 0.00 C ATOM 99 O ASN A 9 0.090 -14.426 -3.584 1.00 0.00 O ATOM 100 CB ASN A 9 1.515 -12.229 -1.254 1.00 0.00 C ATOM 101 CG ASN A 9 2.883 -11.993 -0.610 1.00 0.00 C ATOM 102 OD1 ASN A 9 3.000 -11.650 0.554 1.00 0.00 O ATOM 103 ND2 ASN A 9 3.909 -12.195 -1.432 1.00 0.00 N ATOM 0 H ASN A 9 2.611 -13.649 -3.358 1.00 0.00 H new ATOM 0 HA ASN A 9 1.290 -14.320 -0.795 1.00 0.00 H new ATOM 0 HB2 ASN A 9 1.400 -11.578 -2.120 1.00 0.00 H new ATOM 0 HB3 ASN A 9 0.727 -11.964 -0.549 1.00 0.00 H new ATOM 0 HD21 ASN A 9 4.864 -12.063 -1.098 1.00 0.00 H new ATOM 0 HD22 ASN A 9 3.741 -12.482 -2.396 1.00 0.00 H new ATOM 110 N CYS A 10 -0.974 -13.173 -2.030 1.00 0.00 N ATOM 111 CA CYS A 10 -2.249 -13.190 -2.728 1.00 0.00 C ATOM 112 C CYS A 10 -3.206 -12.242 -2.003 1.00 0.00 C ATOM 113 O CYS A 10 -4.093 -12.685 -1.276 1.00 0.00 O ATOM 114 CB CYS A 10 -2.818 -14.607 -2.829 1.00 0.00 C ATOM 115 SG CYS A 10 -4.311 -14.761 -3.875 1.00 0.00 S ATOM 0 H CYS A 10 -0.975 -12.653 -1.153 1.00 0.00 H new ATOM 0 HA CYS A 10 -2.110 -12.850 -3.754 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -2.045 -15.266 -3.224 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -3.056 -14.960 -1.826 1.00 0.00 H new ATOM 0 HG CYS A 10 -3.986 -15.279 -5.022 1.00 0.00 H new ATOM 120 N TYR A 11 -2.992 -10.953 -2.228 1.00 0.00 N ATOM 121 CA TYR A 11 -3.825 -9.938 -1.606 1.00 0.00 C ATOM 122 C TYR A 11 -5.030 -9.600 -2.487 1.00 0.00 C ATOM 123 O TYR A 11 -5.279 -8.432 -2.782 1.00 0.00 O ATOM 124 CB TYR A 11 -2.944 -8.695 -1.470 1.00 0.00 C ATOM 125 CG TYR A 11 -1.527 -8.988 -0.969 1.00 0.00 C ATOM 126 CD1 TYR A 11 -1.310 -9.267 0.365 1.00 0.00 C ATOM 127 CD2 TYR A 11 -0.468 -8.975 -1.853 1.00 0.00 C ATOM 128 CE1 TYR A 11 0.022 -9.543 0.835 1.00 0.00 C ATOM 129 CE2 TYR A 11 0.866 -9.251 -1.383 1.00 0.00 C ATOM 130 CZ TYR A 11 1.044 -9.521 -0.063 1.00 0.00 C ATOM 131 OH TYR A 11 2.303 -9.782 0.382 1.00 0.00 O ATOM 0 H TYR A 11 -2.255 -10.589 -2.832 1.00 0.00 H new ATOM 0 HA TYR A 11 -4.205 -10.289 -0.647 1.00 0.00 H new ATOM 0 HB2 TYR A 11 -2.881 -8.199 -2.439 1.00 0.00 H new ATOM 0 HB3 TYR A 11 -3.423 -7.996 -0.785 1.00 0.00 H new ATOM 0 HD1 TYR A 11 -2.140 -9.278 1.056 1.00 0.00 H new ATOM 0 HD2 TYR A 11 -0.639 -8.758 -2.897 1.00 0.00 H new ATOM 0 HE1 TYR A 11 0.206 -9.762 1.876 1.00 0.00 H new ATOM 0 HE2 TYR A 11 1.704 -9.243 -2.064 1.00 0.00 H new ATOM 0 HH TYR A 11 2.325 -10.669 0.799 1.00 0.00 H new ATOM 141 N SER A 12 -5.743 -10.644 -2.884 1.00 0.00 N ATOM 142 CA SER A 12 -6.916 -10.473 -3.726 1.00 0.00 C ATOM 143 C SER A 12 -7.568 -9.118 -3.445 1.00 0.00 C ATOM 144 O SER A 12 -7.457 -8.588 -2.340 1.00 0.00 O ATOM 145 CB SER A 12 -7.923 -11.603 -3.504 1.00 0.00 C ATOM 146 OG SER A 12 -8.282 -12.245 -4.724 1.00 0.00 O ATOM 0 H SER A 12 -5.531 -11.611 -2.639 1.00 0.00 H new ATOM 0 HA SER A 12 -6.597 -10.507 -4.768 1.00 0.00 H new ATOM 0 HB2 SER A 12 -7.499 -12.337 -2.819 1.00 0.00 H new ATOM 0 HB3 SER A 12 -8.818 -11.203 -3.028 1.00 0.00 H new ATOM 0 HG SER A 12 -7.473 -12.439 -5.242 1.00 0.00 H new ATOM 152 N SER A 13 -8.233 -8.595 -4.465 1.00 0.00 N ATOM 153 CA SER A 13 -8.903 -7.311 -4.342 1.00 0.00 C ATOM 154 C SER A 13 -9.555 -7.191 -2.962 1.00 0.00 C ATOM 155 O SER A 13 -9.817 -6.087 -2.490 1.00 0.00 O ATOM 156 CB SER A 13 -9.951 -7.130 -5.442 1.00 0.00 C ATOM 157 OG SER A 13 -11.174 -7.788 -5.128 1.00 0.00 O ATOM 0 H SER A 13 -8.322 -9.037 -5.380 1.00 0.00 H new ATOM 0 HA SER A 13 -8.158 -6.524 -4.454 1.00 0.00 H new ATOM 0 HB2 SER A 13 -10.139 -6.067 -5.592 1.00 0.00 H new ATOM 0 HB3 SER A 13 -9.561 -7.520 -6.382 1.00 0.00 H new ATOM 0 HG SER A 13 -11.817 -7.647 -5.854 1.00 0.00 H new ATOM 163 N SER A 14 -9.798 -8.344 -2.356 1.00 0.00 N ATOM 164 CA SER A 14 -10.414 -8.382 -1.041 1.00 0.00 C ATOM 165 C SER A 14 -9.352 -8.176 0.041 1.00 0.00 C ATOM 166 O SER A 14 -9.661 -7.718 1.140 1.00 0.00 O ATOM 167 CB SER A 14 -11.152 -9.703 -0.816 1.00 0.00 C ATOM 168 OG SER A 14 -11.851 -9.720 0.425 1.00 0.00 O ATOM 0 H SER A 14 -9.579 -9.258 -2.751 1.00 0.00 H new ATOM 0 HA SER A 14 -11.144 -7.575 -0.982 1.00 0.00 H new ATOM 0 HB2 SER A 14 -11.857 -9.868 -1.631 1.00 0.00 H new ATOM 0 HB3 SER A 14 -10.438 -10.526 -0.841 1.00 0.00 H new ATOM 0 HG SER A 14 -12.310 -10.579 0.530 1.00 0.00 H new ATOM 174 N ASP A 15 -8.122 -8.523 -0.308 1.00 0.00 N ATOM 175 CA ASP A 15 -7.013 -8.383 0.619 1.00 0.00 C ATOM 176 C ASP A 15 -6.478 -6.951 0.554 1.00 0.00 C ATOM 177 O ASP A 15 -5.849 -6.476 1.499 1.00 0.00 O ATOM 178 CB ASP A 15 -5.869 -9.331 0.257 1.00 0.00 C ATOM 179 CG ASP A 15 -5.824 -10.630 1.066 1.00 0.00 C ATOM 180 OD1 ASP A 15 -6.779 -11.423 0.920 1.00 0.00 O ATOM 181 OD2 ASP A 15 -4.835 -10.799 1.813 1.00 0.00 O ATOM 0 H ASP A 15 -7.869 -8.901 -1.221 1.00 0.00 H new ATOM 0 HA ASP A 15 -7.377 -8.622 1.618 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -5.946 -9.582 -0.801 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -4.924 -8.804 0.391 1.00 0.00 H new ATOM 186 N VAL A 16 -6.747 -6.303 -0.570 1.00 0.00 N ATOM 187 CA VAL A 16 -6.301 -4.935 -0.771 1.00 0.00 C ATOM 188 C VAL A 16 -7.203 -3.987 0.023 1.00 0.00 C ATOM 189 O VAL A 16 -6.775 -3.408 1.020 1.00 0.00 O ATOM 190 CB VAL A 16 -6.262 -4.611 -2.266 1.00 0.00 C ATOM 191 CG1 VAL A 16 -6.109 -3.107 -2.497 1.00 0.00 C ATOM 192 CG2 VAL A 16 -5.148 -5.390 -2.967 1.00 0.00 C ATOM 0 H VAL A 16 -7.269 -6.700 -1.351 1.00 0.00 H new ATOM 0 HA VAL A 16 -5.285 -4.806 -0.398 1.00 0.00 H new ATOM 0 HB VAL A 16 -7.212 -4.921 -2.701 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -6.084 -2.904 -3.568 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -6.952 -2.582 -2.048 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -5.182 -2.761 -2.040 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -5.142 -5.141 -4.028 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -4.186 -5.125 -2.527 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -5.320 -6.459 -2.846 1.00 0.00 H new ATOM 202 N SER A 17 -8.434 -3.860 -0.449 1.00 0.00 N ATOM 203 CA SER A 17 -9.400 -2.992 0.204 1.00 0.00 C ATOM 204 C SER A 17 -9.225 -3.065 1.723 1.00 0.00 C ATOM 205 O SER A 17 -9.209 -2.037 2.399 1.00 0.00 O ATOM 206 CB SER A 17 -10.830 -3.370 -0.184 1.00 0.00 C ATOM 207 OG SER A 17 -11.789 -2.477 0.376 1.00 0.00 O ATOM 0 H SER A 17 -8.785 -4.343 -1.276 1.00 0.00 H new ATOM 0 HA SER A 17 -9.221 -1.969 -0.128 1.00 0.00 H new ATOM 0 HB2 SER A 17 -10.924 -3.368 -1.270 1.00 0.00 H new ATOM 0 HB3 SER A 17 -11.040 -4.385 0.152 1.00 0.00 H new ATOM 0 HG SER A 17 -12.690 -2.751 0.104 1.00 0.00 H new ATOM 213 N THR A 18 -9.099 -4.289 2.214 1.00 0.00 N ATOM 214 CA THR A 18 -8.926 -4.509 3.639 1.00 0.00 C ATOM 215 C THR A 18 -7.823 -3.602 4.189 1.00 0.00 C ATOM 216 O THR A 18 -8.044 -2.857 5.144 1.00 0.00 O ATOM 217 CB THR A 18 -8.652 -5.998 3.858 1.00 0.00 C ATOM 218 OG1 THR A 18 -9.946 -6.564 4.050 1.00 0.00 O ATOM 219 CG2 THR A 18 -7.927 -6.273 5.177 1.00 0.00 C ATOM 0 H THR A 18 -9.113 -5.139 1.650 1.00 0.00 H new ATOM 0 HA THR A 18 -9.827 -4.244 4.192 1.00 0.00 H new ATOM 0 HB THR A 18 -8.057 -6.383 3.030 1.00 0.00 H new ATOM 0 HG1 THR A 18 -10.218 -7.041 3.238 1.00 0.00 H new ATOM 0 HG21 THR A 18 -7.757 -7.345 5.282 1.00 0.00 H new ATOM 0 HG22 THR A 18 -6.970 -5.752 5.181 1.00 0.00 H new ATOM 0 HG23 THR A 18 -8.537 -5.919 6.008 1.00 0.00 H new ATOM 227 N ALA A 19 -6.659 -3.693 3.564 1.00 0.00 N ATOM 228 CA ALA A 19 -5.521 -2.890 3.978 1.00 0.00 C ATOM 229 C ALA A 19 -5.873 -1.407 3.844 1.00 0.00 C ATOM 230 O ALA A 19 -5.578 -0.612 4.735 1.00 0.00 O ATOM 231 CB ALA A 19 -4.294 -3.275 3.149 1.00 0.00 C ATOM 0 H ALA A 19 -6.479 -4.311 2.773 1.00 0.00 H new ATOM 0 HA ALA A 19 -5.279 -3.079 5.024 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -3.441 -2.672 3.460 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -4.068 -4.330 3.302 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -4.498 -3.097 2.093 1.00 0.00 H new ATOM 237 N GLN A 20 -6.499 -1.080 2.724 1.00 0.00 N ATOM 238 CA GLN A 20 -6.894 0.294 2.461 1.00 0.00 C ATOM 239 C GLN A 20 -7.769 0.821 3.600 1.00 0.00 C ATOM 240 O GLN A 20 -7.442 1.832 4.220 1.00 0.00 O ATOM 241 CB GLN A 20 -7.617 0.409 1.117 1.00 0.00 C ATOM 242 CG GLN A 20 -7.000 -0.531 0.080 1.00 0.00 C ATOM 243 CD GLN A 20 -7.677 -0.366 -1.282 1.00 0.00 C ATOM 244 OE1 GLN A 20 -8.149 -1.314 -1.889 1.00 0.00 O ATOM 245 NE2 GLN A 20 -7.698 0.887 -1.727 1.00 0.00 N ATOM 0 H GLN A 20 -6.743 -1.742 1.988 1.00 0.00 H new ATOM 0 HA GLN A 20 -5.994 0.906 2.406 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -8.673 0.171 1.246 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -7.564 1.437 0.758 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -5.934 -0.326 -0.013 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -7.098 -1.563 0.416 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -7.285 1.634 -1.168 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -8.128 1.101 -2.627 1.00 0.00 H new ATOM 254 N ALA A 21 -8.862 0.113 3.842 1.00 0.00 N ATOM 255 CA ALA A 21 -9.785 0.498 4.896 1.00 0.00 C ATOM 256 C ALA A 21 -9.001 1.121 6.053 1.00 0.00 C ATOM 257 O ALA A 21 -9.493 2.025 6.724 1.00 0.00 O ATOM 258 CB ALA A 21 -10.597 -0.723 5.333 1.00 0.00 C ATOM 0 H ALA A 21 -9.129 -0.725 3.326 1.00 0.00 H new ATOM 0 HA ALA A 21 -10.490 1.247 4.535 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -11.290 -0.435 6.124 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -11.158 -1.110 4.482 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -9.923 -1.494 5.705 1.00 0.00 H new ATOM 264 N ALA A 22 -7.793 0.613 6.248 1.00 0.00 N ATOM 265 CA ALA A 22 -6.936 1.107 7.312 1.00 0.00 C ATOM 266 C ALA A 22 -6.153 2.321 6.807 1.00 0.00 C ATOM 267 O ALA A 22 -6.081 3.344 7.485 1.00 0.00 O ATOM 268 CB ALA A 22 -6.019 -0.017 7.795 1.00 0.00 C ATOM 0 H ALA A 22 -7.387 -0.136 5.687 1.00 0.00 H new ATOM 0 HA ALA A 22 -7.532 1.429 8.166 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -5.377 0.355 8.593 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -6.623 -0.843 8.170 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -5.403 -0.365 6.966 1.00 0.00 H new ATOM 274 N GLY A 23 -5.587 2.166 5.619 1.00 0.00 N ATOM 275 CA GLY A 23 -4.812 3.237 5.014 1.00 0.00 C ATOM 276 C GLY A 23 -5.671 4.485 4.804 1.00 0.00 C ATOM 277 O GLY A 23 -5.232 5.600 5.083 1.00 0.00 O ATOM 0 H GLY A 23 -5.649 1.316 5.059 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -3.962 3.480 5.651 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -4.409 2.904 4.058 1.00 0.00 H new ATOM 281 N TYR A 24 -6.880 4.256 4.314 1.00 0.00 N ATOM 282 CA TYR A 24 -7.806 5.348 4.063 1.00 0.00 C ATOM 283 C TYR A 24 -8.347 5.920 5.375 1.00 0.00 C ATOM 284 O TYR A 24 -8.083 7.074 5.709 1.00 0.00 O ATOM 285 CB TYR A 24 -8.965 4.744 3.268 1.00 0.00 C ATOM 286 CG TYR A 24 -9.853 5.783 2.578 1.00 0.00 C ATOM 287 CD1 TYR A 24 -9.560 7.126 2.693 1.00 0.00 C ATOM 288 CD2 TYR A 24 -10.946 5.375 1.841 1.00 0.00 C ATOM 289 CE1 TYR A 24 -10.396 8.103 2.043 1.00 0.00 C ATOM 290 CE2 TYR A 24 -11.782 6.351 1.192 1.00 0.00 C ATOM 291 CZ TYR A 24 -11.465 7.667 1.325 1.00 0.00 C ATOM 292 OH TYR A 24 -12.255 8.590 0.712 1.00 0.00 O ATOM 0 H TYR A 24 -7.240 3.330 4.084 1.00 0.00 H new ATOM 0 HA TYR A 24 -7.309 6.157 3.528 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -8.562 4.067 2.515 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -9.579 4.144 3.939 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -8.705 7.445 3.270 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -11.174 4.323 1.751 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -10.178 9.158 2.124 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -12.641 6.045 0.613 1.00 0.00 H new ATOM 0 HH TYR A 24 -11.955 8.715 -0.212 1.00 0.00 H new ATOM 302 N LYS A 25 -9.094 5.087 6.084 1.00 0.00 N ATOM 303 CA LYS A 25 -9.675 5.495 7.351 1.00 0.00 C ATOM 304 C LYS A 25 -8.673 6.370 8.108 1.00 0.00 C ATOM 305 O LYS A 25 -8.981 7.506 8.464 1.00 0.00 O ATOM 306 CB LYS A 25 -10.145 4.274 8.144 1.00 0.00 C ATOM 307 CG LYS A 25 -10.364 4.626 9.616 1.00 0.00 C ATOM 308 CD LYS A 25 -9.038 4.637 10.380 1.00 0.00 C ATOM 309 CE LYS A 25 -9.178 3.939 11.733 1.00 0.00 C ATOM 310 NZ LYS A 25 -8.696 4.817 12.823 1.00 0.00 N ATOM 0 H LYS A 25 -9.310 4.130 5.804 1.00 0.00 H new ATOM 0 HA LYS A 25 -10.566 6.100 7.183 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -11.072 3.893 7.716 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -9.406 3.477 8.063 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -10.840 5.603 9.693 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -11.043 3.904 10.069 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -8.269 4.140 9.788 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -8.709 5.665 10.530 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -10.221 3.674 11.906 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -8.610 3.009 11.729 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -9.277 4.666 13.673 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -7.704 4.591 13.037 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -8.769 5.811 12.526 1.00 0.00 H new ATOM 324 N LEU A 26 -7.495 5.807 8.332 1.00 0.00 N ATOM 325 CA LEU A 26 -6.446 6.521 9.040 1.00 0.00 C ATOM 326 C LEU A 26 -6.064 7.774 8.248 1.00 0.00 C ATOM 327 O LEU A 26 -5.770 8.815 8.832 1.00 0.00 O ATOM 328 CB LEU A 26 -5.266 5.591 9.328 1.00 0.00 C ATOM 329 CG LEU A 26 -3.983 6.269 9.815 1.00 0.00 C ATOM 330 CD1 LEU A 26 -4.270 7.208 10.988 1.00 0.00 C ATOM 331 CD2 LEU A 26 -2.912 5.231 10.161 1.00 0.00 C ATOM 0 H LEU A 26 -7.244 4.864 8.036 1.00 0.00 H new ATOM 0 HA LEU A 26 -6.803 6.856 10.014 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -5.577 4.864 10.078 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -5.037 5.034 8.419 1.00 0.00 H new ATOM 0 HG LEU A 26 -3.590 6.880 9.002 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -3.342 7.677 11.315 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -4.974 7.978 10.674 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -4.699 6.639 11.813 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -2.011 5.739 10.504 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -3.282 4.576 10.949 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -2.680 4.639 9.276 1.00 0.00 H new ATOM 343 N HIS A 27 -6.081 7.630 6.931 1.00 0.00 N ATOM 344 CA HIS A 27 -5.741 8.737 6.054 1.00 0.00 C ATOM 345 C HIS A 27 -6.766 9.860 6.222 1.00 0.00 C ATOM 346 O HIS A 27 -6.397 11.023 6.380 1.00 0.00 O ATOM 347 CB HIS A 27 -5.615 8.262 4.604 1.00 0.00 C ATOM 348 CG HIS A 27 -5.635 9.379 3.588 1.00 0.00 C ATOM 349 ND1 HIS A 27 -4.699 10.398 3.576 1.00 0.00 N ATOM 350 CD2 HIS A 27 -6.486 9.625 2.551 1.00 0.00 C ATOM 351 CE1 HIS A 27 -4.984 11.216 2.573 1.00 0.00 C ATOM 352 NE2 HIS A 27 -6.092 10.735 1.939 1.00 0.00 N ATOM 0 H HIS A 27 -6.325 6.764 6.450 1.00 0.00 H new ATOM 0 HA HIS A 27 -4.766 9.138 6.331 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -4.686 7.702 4.495 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -6.430 7.572 4.386 1.00 0.00 H new ATOM 0 HD1 HIS A 27 -3.922 10.502 4.228 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -7.336 9.019 2.275 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -4.435 12.107 2.305 1.00 0.00 H new ATOM 361 N GLU A 28 -8.033 9.473 6.183 1.00 0.00 N ATOM 362 CA GLU A 28 -9.113 10.434 6.329 1.00 0.00 C ATOM 363 C GLU A 28 -9.040 11.109 7.699 1.00 0.00 C ATOM 364 O GLU A 28 -9.534 12.222 7.874 1.00 0.00 O ATOM 365 CB GLU A 28 -10.473 9.764 6.120 1.00 0.00 C ATOM 366 CG GLU A 28 -10.307 8.295 5.727 1.00 0.00 C ATOM 367 CD GLU A 28 -11.658 7.661 5.389 1.00 0.00 C ATOM 368 OE1 GLU A 28 -12.592 7.850 6.198 1.00 0.00 O ATOM 369 OE2 GLU A 28 -11.725 7.003 4.329 1.00 0.00 O ATOM 0 H GLU A 28 -8.335 8.508 6.052 1.00 0.00 H new ATOM 0 HA GLU A 28 -8.999 11.200 5.562 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -11.062 9.835 7.035 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -11.026 10.291 5.343 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -9.640 8.218 4.868 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -9.839 7.747 6.545 1.00 0.00 H new ATOM 376 N ASP A 29 -8.420 10.408 8.638 1.00 0.00 N ATOM 377 CA ASP A 29 -8.277 10.927 9.988 1.00 0.00 C ATOM 378 C ASP A 29 -7.021 11.798 10.063 1.00 0.00 C ATOM 379 O ASP A 29 -6.889 12.626 10.962 1.00 0.00 O ATOM 380 CB ASP A 29 -8.125 9.791 11.001 1.00 0.00 C ATOM 381 CG ASP A 29 -9.218 8.722 10.942 1.00 0.00 C ATOM 382 OD1 ASP A 29 -10.139 8.897 10.114 1.00 0.00 O ATOM 383 OD2 ASP A 29 -9.109 7.754 11.725 1.00 0.00 O ATOM 0 H ASP A 29 -8.011 9.485 8.490 1.00 0.00 H new ATOM 0 HA ASP A 29 -9.171 11.504 10.225 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -7.159 9.311 10.844 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -8.109 10.218 12.004 1.00 0.00 H new ATOM 388 N GLY A 30 -6.131 11.581 9.106 1.00 0.00 N ATOM 389 CA GLY A 30 -4.890 12.336 9.054 1.00 0.00 C ATOM 390 C GLY A 30 -3.924 11.882 10.150 1.00 0.00 C ATOM 391 O GLY A 30 -3.036 12.634 10.550 1.00 0.00 O ATOM 0 H GLY A 30 -6.244 10.894 8.361 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -4.423 12.208 8.077 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -5.102 13.399 9.169 1.00 0.00 H new ATOM 395 N GLU A 31 -4.131 10.655 10.605 1.00 0.00 N ATOM 396 CA GLU A 31 -3.290 10.093 11.649 1.00 0.00 C ATOM 397 C GLU A 31 -2.272 9.124 11.043 1.00 0.00 C ATOM 398 O GLU A 31 -2.266 8.898 9.834 1.00 0.00 O ATOM 399 CB GLU A 31 -4.135 9.401 12.720 1.00 0.00 C ATOM 400 CG GLU A 31 -4.590 10.398 13.787 1.00 0.00 C ATOM 401 CD GLU A 31 -3.438 10.759 14.728 1.00 0.00 C ATOM 402 OE1 GLU A 31 -3.024 9.858 15.489 1.00 0.00 O ATOM 403 OE2 GLU A 31 -2.998 11.927 14.664 1.00 0.00 O ATOM 0 H GLU A 31 -4.868 10.034 10.270 1.00 0.00 H new ATOM 0 HA GLU A 31 -2.748 10.907 12.131 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -5.005 8.935 12.257 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -3.556 8.603 13.186 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -4.969 11.301 13.308 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -5.413 9.972 14.361 1.00 0.00 H new ATOM 410 N THR A 32 -1.434 8.577 11.913 1.00 0.00 N ATOM 411 CA THR A 32 -0.414 7.638 11.479 1.00 0.00 C ATOM 412 C THR A 32 -0.507 6.340 12.285 1.00 0.00 C ATOM 413 O THR A 32 -1.451 6.146 13.050 1.00 0.00 O ATOM 414 CB THR A 32 0.946 8.329 11.598 1.00 0.00 C ATOM 415 OG1 THR A 32 1.291 8.184 12.973 1.00 0.00 O ATOM 416 CG2 THR A 32 0.852 9.843 11.396 1.00 0.00 C ATOM 0 H THR A 32 -1.441 8.766 12.915 1.00 0.00 H new ATOM 0 HA THR A 32 -0.559 7.350 10.438 1.00 0.00 H new ATOM 0 HB THR A 32 1.633 7.906 10.865 1.00 0.00 H new ATOM 0 HG1 THR A 32 2.161 8.603 13.138 1.00 0.00 H new ATOM 0 HG21 THR A 32 1.844 10.285 11.491 1.00 0.00 H new ATOM 0 HG22 THR A 32 0.454 10.054 10.403 1.00 0.00 H new ATOM 0 HG23 THR A 32 0.191 10.270 12.150 1.00 0.00 H new ATOM 424 N VAL A 33 0.485 5.485 12.085 1.00 0.00 N ATOM 425 CA VAL A 33 0.527 4.210 12.782 1.00 0.00 C ATOM 426 C VAL A 33 1.931 3.987 13.344 1.00 0.00 C ATOM 427 O VAL A 33 2.921 4.143 12.629 1.00 0.00 O ATOM 428 CB VAL A 33 0.069 3.088 11.848 1.00 0.00 C ATOM 429 CG1 VAL A 33 -1.348 3.345 11.335 1.00 0.00 C ATOM 430 CG2 VAL A 33 1.049 2.908 10.688 1.00 0.00 C ATOM 0 H VAL A 33 1.266 5.650 11.450 1.00 0.00 H new ATOM 0 HA VAL A 33 -0.163 4.212 13.626 1.00 0.00 H new ATOM 0 HB VAL A 33 0.053 2.161 12.420 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -1.648 2.532 10.673 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -2.036 3.399 12.179 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -1.371 4.287 10.787 1.00 0.00 H new ATOM 0 HG21 VAL A 33 0.701 2.105 10.039 1.00 0.00 H new ATOM 0 HG22 VAL A 33 1.111 3.835 10.117 1.00 0.00 H new ATOM 0 HG23 VAL A 33 2.034 2.656 11.080 1.00 0.00 H new ATOM 440 N GLY A 34 1.975 3.626 14.617 1.00 0.00 N ATOM 441 CA GLY A 34 3.243 3.380 15.283 1.00 0.00 C ATOM 442 C GLY A 34 4.326 2.994 14.274 1.00 0.00 C ATOM 443 O GLY A 34 4.637 1.815 14.111 1.00 0.00 O ATOM 0 H GLY A 34 1.152 3.498 15.206 1.00 0.00 H new ATOM 0 HA2 GLY A 34 3.550 4.272 15.829 1.00 0.00 H new ATOM 0 HA3 GLY A 34 3.124 2.583 16.017 1.00 0.00 H new ATOM 447 N SER A 35 4.871 4.011 13.620 1.00 0.00 N ATOM 448 CA SER A 35 5.913 3.793 12.632 1.00 0.00 C ATOM 449 C SER A 35 6.326 5.125 12.004 1.00 0.00 C ATOM 450 O SER A 35 7.171 5.835 12.548 1.00 0.00 O ATOM 451 CB SER A 35 5.448 2.818 11.548 1.00 0.00 C ATOM 452 OG SER A 35 6.439 2.624 10.542 1.00 0.00 O ATOM 0 H SER A 35 4.610 4.988 13.756 1.00 0.00 H new ATOM 0 HA SER A 35 6.774 3.353 13.135 1.00 0.00 H new ATOM 0 HB2 SER A 35 5.202 1.859 12.004 1.00 0.00 H new ATOM 0 HB3 SER A 35 4.534 3.196 11.089 1.00 0.00 H new ATOM 0 HG SER A 35 6.015 2.638 9.658 1.00 0.00 H new ATOM 458 N ASN A 36 5.711 5.425 10.869 1.00 0.00 N ATOM 459 CA ASN A 36 6.006 6.660 10.162 1.00 0.00 C ATOM 460 C ASN A 36 4.718 7.472 10.007 1.00 0.00 C ATOM 461 O ASN A 36 3.739 7.232 10.712 1.00 0.00 O ATOM 462 CB ASN A 36 6.558 6.376 8.765 1.00 0.00 C ATOM 463 CG ASN A 36 8.070 6.147 8.808 1.00 0.00 C ATOM 464 OD1 ASN A 36 8.753 6.516 9.750 1.00 0.00 O ATOM 465 ND2 ASN A 36 8.554 5.520 7.740 1.00 0.00 N ATOM 0 H ASN A 36 5.010 4.834 10.422 1.00 0.00 H new ATOM 0 HA ASN A 36 6.750 7.210 10.738 1.00 0.00 H new ATOM 0 HB2 ASN A 36 6.066 5.498 8.347 1.00 0.00 H new ATOM 0 HB3 ASN A 36 6.332 7.213 8.104 1.00 0.00 H new ATOM 0 HD21 ASN A 36 9.552 5.321 7.674 1.00 0.00 H new ATOM 0 HD22 ASN A 36 7.927 5.238 6.986 1.00 0.00 H new ATOM 472 N SER A 37 4.762 8.417 9.080 1.00 0.00 N ATOM 473 CA SER A 37 3.611 9.267 8.822 1.00 0.00 C ATOM 474 C SER A 37 2.647 8.565 7.862 1.00 0.00 C ATOM 475 O SER A 37 1.966 9.219 7.073 1.00 0.00 O ATOM 476 CB SER A 37 4.041 10.618 8.249 1.00 0.00 C ATOM 477 OG SER A 37 4.218 10.567 6.836 1.00 0.00 O ATOM 0 H SER A 37 5.576 8.613 8.498 1.00 0.00 H new ATOM 0 HA SER A 37 3.102 9.450 9.768 1.00 0.00 H new ATOM 0 HB2 SER A 37 3.291 11.371 8.493 1.00 0.00 H new ATOM 0 HB3 SER A 37 4.973 10.931 8.720 1.00 0.00 H new ATOM 0 HG SER A 37 3.355 10.397 6.404 1.00 0.00 H new ATOM 483 N TYR A 38 2.621 7.244 7.962 1.00 0.00 N ATOM 484 CA TYR A 38 1.752 6.447 7.112 1.00 0.00 C ATOM 485 C TYR A 38 0.333 6.387 7.681 1.00 0.00 C ATOM 486 O TYR A 38 0.147 6.382 8.897 1.00 0.00 O ATOM 487 CB TYR A 38 2.346 5.037 7.106 1.00 0.00 C ATOM 488 CG TYR A 38 3.772 4.965 6.554 1.00 0.00 C ATOM 489 CD1 TYR A 38 4.605 6.061 6.650 1.00 0.00 C ATOM 490 CD2 TYR A 38 4.223 3.804 5.961 1.00 0.00 C ATOM 491 CE1 TYR A 38 5.947 5.993 6.132 1.00 0.00 C ATOM 492 CE2 TYR A 38 5.565 3.736 5.443 1.00 0.00 C ATOM 493 CZ TYR A 38 6.361 4.834 5.553 1.00 0.00 C ATOM 494 OH TYR A 38 7.627 4.769 5.064 1.00 0.00 O ATOM 0 H TYR A 38 3.187 6.706 8.618 1.00 0.00 H new ATOM 0 HA TYR A 38 1.691 6.879 6.113 1.00 0.00 H new ATOM 0 HB2 TYR A 38 2.341 4.647 8.124 1.00 0.00 H new ATOM 0 HB3 TYR A 38 1.704 4.386 6.513 1.00 0.00 H new ATOM 0 HD1 TYR A 38 4.251 6.970 7.114 1.00 0.00 H new ATOM 0 HD2 TYR A 38 3.570 2.947 5.885 1.00 0.00 H new ATOM 0 HE1 TYR A 38 6.610 6.843 6.202 1.00 0.00 H new ATOM 0 HE2 TYR A 38 5.932 2.833 4.977 1.00 0.00 H new ATOM 0 HH TYR A 38 7.784 3.881 4.680 1.00 0.00 H new ATOM 504 N PRO A 39 -0.658 6.343 6.750 1.00 0.00 N ATOM 505 CA PRO A 39 -0.352 6.354 5.329 1.00 0.00 C ATOM 506 C PRO A 39 0.065 7.751 4.869 1.00 0.00 C ATOM 507 O PRO A 39 0.106 8.686 5.668 1.00 0.00 O ATOM 508 CB PRO A 39 -1.618 5.858 4.651 1.00 0.00 C ATOM 509 CG PRO A 39 -2.733 6.031 5.670 1.00 0.00 C ATOM 510 CD PRO A 39 -2.090 6.282 7.025 1.00 0.00 C ATOM 0 HA PRO A 39 0.495 5.717 5.076 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -1.825 6.428 3.745 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -1.519 4.814 4.355 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -3.378 6.865 5.393 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -3.361 5.141 5.704 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -2.448 7.212 7.467 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -2.324 5.483 7.729 1.00 0.00 H new ATOM 518 N HIS A 40 0.366 7.851 3.582 1.00 0.00 N ATOM 519 CA HIS A 40 0.778 9.119 3.006 1.00 0.00 C ATOM 520 C HIS A 40 1.048 8.939 1.510 1.00 0.00 C ATOM 521 O HIS A 40 1.132 7.813 1.022 1.00 0.00 O ATOM 522 CB HIS A 40 1.978 9.694 3.760 1.00 0.00 C ATOM 523 CG HIS A 40 3.266 8.938 3.534 1.00 0.00 C ATOM 524 ND1 HIS A 40 4.007 9.052 2.370 1.00 0.00 N ATOM 525 CD2 HIS A 40 3.937 8.059 4.333 1.00 0.00 C ATOM 526 CE1 HIS A 40 5.072 8.271 2.475 1.00 0.00 C ATOM 527 NE2 HIS A 40 5.026 7.656 3.692 1.00 0.00 N ATOM 0 H HIS A 40 0.333 7.074 2.922 1.00 0.00 H new ATOM 0 HA HIS A 40 -0.025 9.848 3.110 1.00 0.00 H new ATOM 0 HB2 HIS A 40 2.120 10.732 3.458 1.00 0.00 H new ATOM 0 HB3 HIS A 40 1.755 9.700 4.827 1.00 0.00 H new ATOM 0 HD2 HIS A 40 3.633 7.745 5.320 1.00 0.00 H new ATOM 0 HE1 HIS A 40 5.842 8.144 1.728 1.00 0.00 H new ATOM 0 HE2 HIS A 40 5.716 6.995 4.050 1.00 0.00 H new ATOM 536 N LYS A 41 1.179 10.066 0.826 1.00 0.00 N ATOM 537 CA LYS A 41 1.440 10.047 -0.604 1.00 0.00 C ATOM 538 C LYS A 41 2.500 8.987 -0.911 1.00 0.00 C ATOM 539 O LYS A 41 3.160 8.483 -0.004 1.00 0.00 O ATOM 540 CB LYS A 41 1.807 11.446 -1.100 1.00 0.00 C ATOM 541 CG LYS A 41 1.076 11.776 -2.403 1.00 0.00 C ATOM 542 CD LYS A 41 0.858 13.284 -2.544 1.00 0.00 C ATOM 543 CE LYS A 41 2.192 14.017 -2.703 1.00 0.00 C ATOM 544 NZ LYS A 41 2.722 14.422 -1.383 1.00 0.00 N ATOM 0 H LYS A 41 1.109 10.998 1.235 1.00 0.00 H new ATOM 0 HA LYS A 41 0.540 9.766 -1.152 1.00 0.00 H new ATOM 0 HB2 LYS A 41 1.552 12.184 -0.339 1.00 0.00 H new ATOM 0 HB3 LYS A 41 2.884 11.509 -1.257 1.00 0.00 H new ATOM 0 HG2 LYS A 41 1.653 11.408 -3.251 1.00 0.00 H new ATOM 0 HG3 LYS A 41 0.115 11.263 -2.425 1.00 0.00 H new ATOM 0 HD2 LYS A 41 0.223 13.484 -3.407 1.00 0.00 H new ATOM 0 HD3 LYS A 41 0.333 13.663 -1.667 1.00 0.00 H new ATOM 0 HE2 LYS A 41 2.911 13.371 -3.207 1.00 0.00 H new ATOM 0 HE3 LYS A 41 2.057 14.896 -3.333 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 3.270 15.300 -1.483 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 1.932 14.580 -0.725 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 3.337 13.671 -1.011 1.00 0.00 H new ATOM 558 N TYR A 42 2.630 8.680 -2.193 1.00 0.00 N ATOM 559 CA TYR A 42 3.598 7.690 -2.632 1.00 0.00 C ATOM 560 C TYR A 42 4.134 8.026 -4.026 1.00 0.00 C ATOM 561 O TYR A 42 4.800 7.205 -4.652 1.00 0.00 O ATOM 562 CB TYR A 42 2.844 6.362 -2.695 1.00 0.00 C ATOM 563 CG TYR A 42 3.591 5.255 -3.442 1.00 0.00 C ATOM 564 CD1 TYR A 42 4.451 4.420 -2.757 1.00 0.00 C ATOM 565 CD2 TYR A 42 3.407 5.092 -4.800 1.00 0.00 C ATOM 566 CE1 TYR A 42 5.156 3.379 -3.461 1.00 0.00 C ATOM 567 CE2 TYR A 42 4.111 4.052 -5.502 1.00 0.00 C ATOM 568 CZ TYR A 42 4.951 3.247 -4.799 1.00 0.00 C ATOM 569 OH TYR A 42 5.617 2.263 -5.462 1.00 0.00 O ATOM 0 H TYR A 42 2.080 9.100 -2.943 1.00 0.00 H new ATOM 0 HA TYR A 42 4.448 7.656 -1.950 1.00 0.00 H new ATOM 0 HB2 TYR A 42 2.638 6.025 -1.679 1.00 0.00 H new ATOM 0 HB3 TYR A 42 1.881 6.526 -3.178 1.00 0.00 H new ATOM 0 HD1 TYR A 42 4.595 4.547 -1.694 1.00 0.00 H new ATOM 0 HD2 TYR A 42 2.734 5.745 -5.336 1.00 0.00 H new ATOM 0 HE1 TYR A 42 5.832 2.719 -2.938 1.00 0.00 H new ATOM 0 HE2 TYR A 42 3.975 3.914 -6.564 1.00 0.00 H new ATOM 0 HH TYR A 42 5.728 2.519 -6.401 1.00 0.00 H new ATOM 579 N ASN A 43 3.821 9.235 -4.468 1.00 0.00 N ATOM 580 CA ASN A 43 4.263 9.689 -5.776 1.00 0.00 C ATOM 581 C ASN A 43 5.149 8.617 -6.412 1.00 0.00 C ATOM 582 O ASN A 43 6.373 8.672 -6.302 1.00 0.00 O ATOM 583 CB ASN A 43 5.084 10.975 -5.665 1.00 0.00 C ATOM 584 CG ASN A 43 4.225 12.204 -5.973 1.00 0.00 C ATOM 585 OD1 ASN A 43 4.679 13.183 -6.540 1.00 0.00 O ATOM 586 ND2 ASN A 43 2.962 12.096 -5.571 1.00 0.00 N ATOM 0 H ASN A 43 3.267 9.913 -3.945 1.00 0.00 H new ATOM 0 HA ASN A 43 3.378 9.877 -6.383 1.00 0.00 H new ATOM 0 HB2 ASN A 43 5.499 11.060 -4.661 1.00 0.00 H new ATOM 0 HB3 ASN A 43 5.926 10.933 -6.356 1.00 0.00 H new ATOM 0 HD21 ASN A 43 2.308 12.862 -5.732 1.00 0.00 H new ATOM 0 HD22 ASN A 43 2.647 11.247 -5.101 1.00 0.00 H new ATOM 593 N ASN A 44 4.496 7.665 -7.064 1.00 0.00 N ATOM 594 CA ASN A 44 5.210 6.581 -7.717 1.00 0.00 C ATOM 595 C ASN A 44 6.141 7.159 -8.785 1.00 0.00 C ATOM 596 O ASN A 44 6.025 8.329 -9.147 1.00 0.00 O ATOM 597 CB ASN A 44 4.240 5.619 -8.406 1.00 0.00 C ATOM 598 CG ASN A 44 3.720 6.211 -9.718 1.00 0.00 C ATOM 599 OD1 ASN A 44 2.639 6.773 -9.789 1.00 0.00 O ATOM 600 ND2 ASN A 44 4.547 6.055 -10.747 1.00 0.00 N ATOM 0 H ASN A 44 3.481 7.622 -7.154 1.00 0.00 H new ATOM 0 HA ASN A 44 5.773 6.042 -6.956 1.00 0.00 H new ATOM 0 HB2 ASN A 44 4.741 4.671 -8.604 1.00 0.00 H new ATOM 0 HB3 ASN A 44 3.402 5.404 -7.742 1.00 0.00 H new ATOM 0 HD21 ASN A 44 4.291 6.416 -11.666 1.00 0.00 H new ATOM 0 HD22 ASN A 44 5.437 5.574 -10.617 1.00 0.00 H new ATOM 607 N TYR A 45 7.043 6.313 -9.260 1.00 0.00 N ATOM 608 CA TYR A 45 7.993 6.725 -10.279 1.00 0.00 C ATOM 609 C TYR A 45 8.757 5.522 -10.835 1.00 0.00 C ATOM 610 O TYR A 45 8.949 5.410 -12.045 1.00 0.00 O ATOM 611 CB TYR A 45 8.979 7.663 -9.581 1.00 0.00 C ATOM 612 CG TYR A 45 8.640 9.148 -9.731 1.00 0.00 C ATOM 613 CD1 TYR A 45 7.579 9.536 -10.523 1.00 0.00 C ATOM 614 CD2 TYR A 45 9.394 10.098 -9.073 1.00 0.00 C ATOM 615 CE1 TYR A 45 7.258 10.933 -10.664 1.00 0.00 C ATOM 616 CE2 TYR A 45 9.074 11.494 -9.215 1.00 0.00 C ATOM 617 CZ TYR A 45 8.022 11.843 -10.003 1.00 0.00 C ATOM 618 OH TYR A 45 7.720 13.162 -10.136 1.00 0.00 O ATOM 0 H TYR A 45 7.136 5.343 -8.958 1.00 0.00 H new ATOM 0 HA TYR A 45 7.479 7.204 -11.112 1.00 0.00 H new ATOM 0 HB2 TYR A 45 9.012 7.414 -8.520 1.00 0.00 H new ATOM 0 HB3 TYR A 45 9.977 7.487 -9.981 1.00 0.00 H new ATOM 0 HD1 TYR A 45 6.989 8.792 -11.037 1.00 0.00 H new ATOM 0 HD2 TYR A 45 10.224 9.794 -8.452 1.00 0.00 H new ATOM 0 HE1 TYR A 45 6.430 11.250 -11.280 1.00 0.00 H new ATOM 0 HE2 TYR A 45 9.657 12.248 -8.707 1.00 0.00 H new ATOM 0 HH TYR A 45 8.349 13.696 -9.607 1.00 0.00 H new ATOM 628 N GLU A 46 9.173 4.654 -9.925 1.00 0.00 N ATOM 629 CA GLU A 46 9.911 3.463 -10.309 1.00 0.00 C ATOM 630 C GLU A 46 9.332 2.870 -11.594 1.00 0.00 C ATOM 631 O GLU A 46 10.019 2.148 -12.315 1.00 0.00 O ATOM 632 CB GLU A 46 9.913 2.431 -9.180 1.00 0.00 C ATOM 633 CG GLU A 46 10.625 2.974 -7.940 1.00 0.00 C ATOM 634 CD GLU A 46 11.232 1.838 -7.114 1.00 0.00 C ATOM 635 OE1 GLU A 46 11.606 0.821 -7.736 1.00 0.00 O ATOM 636 OE2 GLU A 46 11.307 2.013 -5.879 1.00 0.00 O ATOM 0 H GLU A 46 9.013 4.752 -8.922 1.00 0.00 H new ATOM 0 HA GLU A 46 10.946 3.747 -10.498 1.00 0.00 H new ATOM 0 HB2 GLU A 46 8.887 2.163 -8.926 1.00 0.00 H new ATOM 0 HB3 GLU A 46 10.407 1.520 -9.517 1.00 0.00 H new ATOM 0 HG2 GLU A 46 11.409 3.668 -8.242 1.00 0.00 H new ATOM 0 HG3 GLU A 46 9.919 3.536 -7.328 1.00 0.00 H new ATOM 643 N GLY A 47 8.072 3.197 -11.843 1.00 0.00 N ATOM 644 CA GLY A 47 7.391 2.705 -13.028 1.00 0.00 C ATOM 645 C GLY A 47 6.278 1.724 -12.655 1.00 0.00 C ATOM 646 O GLY A 47 6.289 0.572 -13.088 1.00 0.00 O ATOM 0 H GLY A 47 7.505 3.797 -11.244 1.00 0.00 H new ATOM 0 HA2 GLY A 47 6.970 3.543 -13.584 1.00 0.00 H new ATOM 0 HA3 GLY A 47 8.108 2.214 -13.686 1.00 0.00 H new ATOM 650 N PHE A 48 5.344 2.216 -11.856 1.00 0.00 N ATOM 651 CA PHE A 48 4.226 1.396 -11.418 1.00 0.00 C ATOM 652 C PHE A 48 2.964 1.714 -12.224 1.00 0.00 C ATOM 653 O PHE A 48 2.636 2.881 -12.437 1.00 0.00 O ATOM 654 CB PHE A 48 3.974 1.732 -9.947 1.00 0.00 C ATOM 655 CG PHE A 48 5.081 1.259 -9.002 1.00 0.00 C ATOM 656 CD1 PHE A 48 5.123 -0.040 -8.602 1.00 0.00 C ATOM 657 CD2 PHE A 48 6.022 2.136 -8.564 1.00 0.00 C ATOM 658 CE1 PHE A 48 6.150 -0.481 -7.725 1.00 0.00 C ATOM 659 CE2 PHE A 48 7.050 1.696 -7.688 1.00 0.00 C ATOM 660 CZ PHE A 48 7.091 0.398 -7.287 1.00 0.00 C ATOM 0 H PHE A 48 5.337 3.172 -11.500 1.00 0.00 H new ATOM 0 HA PHE A 48 4.460 0.341 -11.560 1.00 0.00 H new ATOM 0 HB2 PHE A 48 3.861 2.811 -9.846 1.00 0.00 H new ATOM 0 HB3 PHE A 48 3.030 1.282 -9.639 1.00 0.00 H new ATOM 0 HD1 PHE A 48 4.375 -0.737 -8.951 1.00 0.00 H new ATOM 0 HD2 PHE A 48 5.988 3.168 -8.882 1.00 0.00 H new ATOM 0 HE1 PHE A 48 6.183 -1.512 -7.407 1.00 0.00 H new ATOM 0 HE2 PHE A 48 7.799 2.393 -7.341 1.00 0.00 H new ATOM 0 HZ PHE A 48 7.872 0.064 -6.620 1.00 0.00 H new ATOM 670 N ASP A 49 2.292 0.657 -12.652 1.00 0.00 N ATOM 671 CA ASP A 49 1.074 0.809 -13.430 1.00 0.00 C ATOM 672 C ASP A 49 -0.138 0.623 -12.515 1.00 0.00 C ATOM 673 O ASP A 49 -0.971 -0.250 -12.751 1.00 0.00 O ATOM 674 CB ASP A 49 0.994 -0.242 -14.539 1.00 0.00 C ATOM 675 CG ASP A 49 2.344 -0.710 -15.085 1.00 0.00 C ATOM 676 OD1 ASP A 49 3.276 0.124 -15.086 1.00 0.00 O ATOM 677 OD2 ASP A 49 2.415 -1.890 -15.490 1.00 0.00 O ATOM 0 H ASP A 49 2.567 -0.309 -12.475 1.00 0.00 H new ATOM 0 HA ASP A 49 1.081 1.804 -13.875 1.00 0.00 H new ATOM 0 HB2 ASP A 49 0.453 -1.108 -14.159 1.00 0.00 H new ATOM 0 HB3 ASP A 49 0.407 0.165 -15.363 1.00 0.00 H new ATOM 682 N PHE A 50 -0.198 1.459 -11.488 1.00 0.00 N ATOM 683 CA PHE A 50 -1.293 1.398 -10.536 1.00 0.00 C ATOM 684 C PHE A 50 -2.643 1.542 -11.243 1.00 0.00 C ATOM 685 O PHE A 50 -2.959 2.607 -11.772 1.00 0.00 O ATOM 686 CB PHE A 50 -1.110 2.568 -9.568 1.00 0.00 C ATOM 687 CG PHE A 50 0.121 2.444 -8.668 1.00 0.00 C ATOM 688 CD1 PHE A 50 0.722 1.236 -8.500 1.00 0.00 C ATOM 689 CD2 PHE A 50 0.615 3.543 -8.037 1.00 0.00 C ATOM 690 CE1 PHE A 50 1.864 1.121 -7.664 1.00 0.00 C ATOM 691 CE2 PHE A 50 1.758 3.429 -7.202 1.00 0.00 C ATOM 692 CZ PHE A 50 2.358 2.220 -7.033 1.00 0.00 C ATOM 0 H PHE A 50 0.495 2.182 -11.295 1.00 0.00 H new ATOM 0 HA PHE A 50 -1.284 0.438 -10.020 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -1.037 3.492 -10.141 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -1.998 2.651 -8.942 1.00 0.00 H new ATOM 0 HD1 PHE A 50 0.331 0.364 -9.003 1.00 0.00 H new ATOM 0 HD2 PHE A 50 0.138 4.503 -8.171 1.00 0.00 H new ATOM 0 HE1 PHE A 50 2.340 0.161 -7.529 1.00 0.00 H new ATOM 0 HE2 PHE A 50 2.151 4.302 -6.701 1.00 0.00 H new ATOM 0 HZ PHE A 50 3.227 2.133 -6.398 1.00 0.00 H new ATOM 702 N SER A 51 -3.401 0.456 -11.229 1.00 0.00 N ATOM 703 CA SER A 51 -4.709 0.449 -11.862 1.00 0.00 C ATOM 704 C SER A 51 -5.611 1.500 -11.212 1.00 0.00 C ATOM 705 O SER A 51 -6.768 1.655 -11.599 1.00 0.00 O ATOM 706 CB SER A 51 -5.356 -0.934 -11.772 1.00 0.00 C ATOM 707 OG SER A 51 -5.621 -1.314 -10.424 1.00 0.00 O ATOM 0 H SER A 51 -3.135 -0.425 -10.790 1.00 0.00 H new ATOM 0 HA SER A 51 -4.580 0.693 -12.917 1.00 0.00 H new ATOM 0 HB2 SER A 51 -6.287 -0.936 -12.339 1.00 0.00 H new ATOM 0 HB3 SER A 51 -4.700 -1.672 -12.234 1.00 0.00 H new ATOM 0 HG SER A 51 -6.035 -2.202 -10.410 1.00 0.00 H new ATOM 713 N VAL A 52 -5.047 2.194 -10.235 1.00 0.00 N ATOM 714 CA VAL A 52 -5.786 3.227 -9.528 1.00 0.00 C ATOM 715 C VAL A 52 -5.212 4.598 -9.890 1.00 0.00 C ATOM 716 O VAL A 52 -4.026 4.718 -10.196 1.00 0.00 O ATOM 717 CB VAL A 52 -5.764 2.948 -8.024 1.00 0.00 C ATOM 718 CG1 VAL A 52 -6.297 1.547 -7.717 1.00 0.00 C ATOM 719 CG2 VAL A 52 -4.358 3.138 -7.451 1.00 0.00 C ATOM 0 H VAL A 52 -4.087 2.062 -9.916 1.00 0.00 H new ATOM 0 HA VAL A 52 -6.833 3.223 -9.831 1.00 0.00 H new ATOM 0 HB VAL A 52 -6.423 3.669 -7.541 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -6.270 1.375 -6.641 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -7.324 1.462 -8.072 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -5.677 0.804 -8.219 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -4.371 2.933 -6.380 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -3.669 2.452 -7.943 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -4.032 4.164 -7.620 1.00 0.00 H new ATOM 729 N SER A 53 -6.080 5.599 -9.844 1.00 0.00 N ATOM 730 CA SER A 53 -5.674 6.957 -10.164 1.00 0.00 C ATOM 731 C SER A 53 -5.121 7.645 -8.914 1.00 0.00 C ATOM 732 O SER A 53 -5.221 7.111 -7.811 1.00 0.00 O ATOM 733 CB SER A 53 -6.842 7.759 -10.739 1.00 0.00 C ATOM 734 OG SER A 53 -7.280 7.241 -11.993 1.00 0.00 O ATOM 0 H SER A 53 -7.062 5.496 -9.590 1.00 0.00 H new ATOM 0 HA SER A 53 -4.892 6.912 -10.922 1.00 0.00 H new ATOM 0 HB2 SER A 53 -7.672 7.748 -10.032 1.00 0.00 H new ATOM 0 HB3 SER A 53 -6.542 8.800 -10.862 1.00 0.00 H new ATOM 0 HG SER A 53 -8.028 7.779 -12.326 1.00 0.00 H new ATOM 740 N SER A 54 -4.551 8.822 -9.129 1.00 0.00 N ATOM 741 CA SER A 54 -3.983 9.589 -8.034 1.00 0.00 C ATOM 742 C SER A 54 -5.094 10.311 -7.269 1.00 0.00 C ATOM 743 O SER A 54 -6.216 10.425 -7.759 1.00 0.00 O ATOM 744 CB SER A 54 -2.950 10.596 -8.545 1.00 0.00 C ATOM 745 OG SER A 54 -3.417 11.307 -9.689 1.00 0.00 O ATOM 0 H SER A 54 -4.471 9.263 -10.045 1.00 0.00 H new ATOM 0 HA SER A 54 -3.476 8.899 -7.360 1.00 0.00 H new ATOM 0 HB2 SER A 54 -2.710 11.304 -7.751 1.00 0.00 H new ATOM 0 HB3 SER A 54 -2.027 10.073 -8.795 1.00 0.00 H new ATOM 0 HG SER A 54 -2.730 11.941 -9.983 1.00 0.00 H new ATOM 751 N PRO A 55 -4.733 10.791 -6.049 1.00 0.00 N ATOM 752 CA PRO A 55 -3.382 10.612 -5.544 1.00 0.00 C ATOM 753 C PRO A 55 -3.156 9.171 -5.082 1.00 0.00 C ATOM 754 O PRO A 55 -4.099 8.383 -5.011 1.00 0.00 O ATOM 755 CB PRO A 55 -3.246 11.625 -4.418 1.00 0.00 C ATOM 756 CG PRO A 55 -4.665 12.007 -4.028 1.00 0.00 C ATOM 757 CD PRO A 55 -5.598 11.515 -5.121 1.00 0.00 C ATOM 0 HA PRO A 55 -2.622 10.779 -6.307 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -2.710 11.198 -3.571 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -2.682 12.499 -4.745 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -4.931 11.560 -3.070 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -4.751 13.087 -3.911 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -6.375 10.867 -4.716 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -6.102 12.346 -5.615 1.00 0.00 H new ATOM 765 N TYR A 56 -1.902 8.870 -4.781 1.00 0.00 N ATOM 766 CA TYR A 56 -1.540 7.537 -4.327 1.00 0.00 C ATOM 767 C TYR A 56 -1.033 7.567 -2.886 1.00 0.00 C ATOM 768 O TYR A 56 -0.114 8.319 -2.562 1.00 0.00 O ATOM 769 CB TYR A 56 -0.407 7.073 -5.245 1.00 0.00 C ATOM 770 CG TYR A 56 -0.850 6.770 -6.677 1.00 0.00 C ATOM 771 CD1 TYR A 56 -2.161 6.423 -6.936 1.00 0.00 C ATOM 772 CD2 TYR A 56 0.060 6.844 -7.713 1.00 0.00 C ATOM 773 CE1 TYR A 56 -2.579 6.137 -8.284 1.00 0.00 C ATOM 774 CE2 TYR A 56 -0.357 6.558 -9.061 1.00 0.00 C ATOM 775 CZ TYR A 56 -1.656 6.219 -9.280 1.00 0.00 C ATOM 776 OH TYR A 56 -2.050 5.950 -10.553 1.00 0.00 O ATOM 0 H TYR A 56 -1.123 9.526 -4.842 1.00 0.00 H new ATOM 0 HA TYR A 56 -2.404 6.873 -4.360 1.00 0.00 H new ATOM 0 HB2 TYR A 56 0.365 7.842 -5.270 1.00 0.00 H new ATOM 0 HB3 TYR A 56 0.048 6.179 -4.820 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -2.874 6.366 -6.127 1.00 0.00 H new ATOM 0 HD2 TYR A 56 1.085 7.117 -7.512 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -3.601 5.864 -8.499 1.00 0.00 H new ATOM 0 HE2 TYR A 56 0.345 6.611 -9.880 1.00 0.00 H new ATOM 0 HH TYR A 56 -3.018 5.801 -10.571 1.00 0.00 H new ATOM 786 N TYR A 57 -1.652 6.740 -2.056 1.00 0.00 N ATOM 787 CA TYR A 57 -1.274 6.663 -0.655 1.00 0.00 C ATOM 788 C TYR A 57 -0.588 5.330 -0.345 1.00 0.00 C ATOM 789 O TYR A 57 -1.180 4.267 -0.521 1.00 0.00 O ATOM 790 CB TYR A 57 -2.580 6.747 0.139 1.00 0.00 C ATOM 791 CG TYR A 57 -3.374 8.031 -0.104 1.00 0.00 C ATOM 792 CD1 TYR A 57 -2.768 9.114 -0.708 1.00 0.00 C ATOM 793 CD2 TYR A 57 -4.698 8.107 0.280 1.00 0.00 C ATOM 794 CE1 TYR A 57 -3.516 10.323 -0.937 1.00 0.00 C ATOM 795 CE2 TYR A 57 -5.445 9.317 0.050 1.00 0.00 C ATOM 796 CZ TYR A 57 -4.817 10.365 -0.546 1.00 0.00 C ATOM 797 OH TYR A 57 -5.524 11.507 -0.763 1.00 0.00 O ATOM 0 H TYR A 57 -2.413 6.117 -2.327 1.00 0.00 H new ATOM 0 HA TYR A 57 -0.577 7.462 -0.401 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -3.205 5.892 -0.118 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -2.353 6.668 1.202 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -1.732 9.055 -1.009 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -5.173 7.260 0.752 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -3.054 11.177 -1.409 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -6.481 9.390 0.345 1.00 0.00 H new ATOM 0 HH TYR A 57 -5.931 11.804 0.077 1.00 0.00 H new ATOM 807 N GLU A 58 0.652 5.433 0.112 1.00 0.00 N ATOM 808 CA GLU A 58 1.425 4.249 0.448 1.00 0.00 C ATOM 809 C GLU A 58 0.997 3.706 1.812 1.00 0.00 C ATOM 810 O GLU A 58 0.755 4.474 2.742 1.00 0.00 O ATOM 811 CB GLU A 58 2.925 4.550 0.422 1.00 0.00 C ATOM 812 CG GLU A 58 3.277 5.671 1.402 1.00 0.00 C ATOM 813 CD GLU A 58 4.786 5.736 1.643 1.00 0.00 C ATOM 814 OE1 GLU A 58 5.486 6.228 0.732 1.00 0.00 O ATOM 815 OE2 GLU A 58 5.206 5.291 2.733 1.00 0.00 O ATOM 0 H GLU A 58 1.140 6.317 0.257 1.00 0.00 H new ATOM 0 HA GLU A 58 1.228 3.484 -0.303 1.00 0.00 H new ATOM 0 HB2 GLU A 58 3.484 3.650 0.677 1.00 0.00 H new ATOM 0 HB3 GLU A 58 3.225 4.836 -0.586 1.00 0.00 H new ATOM 0 HG2 GLU A 58 2.927 6.625 1.009 1.00 0.00 H new ATOM 0 HG3 GLU A 58 2.761 5.507 2.348 1.00 0.00 H new ATOM 822 N TRP A 59 0.918 2.386 1.889 1.00 0.00 N ATOM 823 CA TRP A 59 0.524 1.730 3.125 1.00 0.00 C ATOM 824 C TRP A 59 0.894 0.250 3.014 1.00 0.00 C ATOM 825 O TRP A 59 0.725 -0.359 1.958 1.00 0.00 O ATOM 826 CB TRP A 59 -0.962 1.955 3.415 1.00 0.00 C ATOM 827 CG TRP A 59 -1.494 1.143 4.596 1.00 0.00 C ATOM 828 CD1 TRP A 59 -2.147 -0.027 4.567 1.00 0.00 C ATOM 829 CD2 TRP A 59 -1.392 1.490 5.994 1.00 0.00 C ATOM 830 NE1 TRP A 59 -2.472 -0.457 5.837 1.00 0.00 N ATOM 831 CE2 TRP A 59 -1.999 0.494 6.733 1.00 0.00 C ATOM 832 CE3 TRP A 59 -0.807 2.608 6.614 1.00 0.00 C ATOM 833 CZ2 TRP A 59 -2.078 0.517 8.131 1.00 0.00 C ATOM 834 CZ3 TRP A 59 -0.895 2.616 8.011 1.00 0.00 C ATOM 835 CH2 TRP A 59 -1.501 1.621 8.769 1.00 0.00 C ATOM 0 H TRP A 59 1.120 1.752 1.116 1.00 0.00 H new ATOM 0 HA TRP A 59 1.055 2.158 3.975 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -1.127 3.014 3.612 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -1.538 1.703 2.525 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -2.389 -0.566 3.663 1.00 0.00 H new ATOM 0 HE1 TRP A 59 -2.969 -1.316 6.075 1.00 0.00 H new ATOM 0 HE3 TRP A 59 -0.327 3.399 6.056 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -2.558 -0.275 8.687 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 -0.462 3.454 8.537 1.00 0.00 H new ATOM 0 HH2 TRP A 59 -1.527 1.699 9.846 1.00 0.00 H new ATOM 846 N PRO A 60 1.407 -0.301 4.147 1.00 0.00 N ATOM 847 CA PRO A 60 1.802 -1.698 4.187 1.00 0.00 C ATOM 848 C PRO A 60 0.578 -2.613 4.254 1.00 0.00 C ATOM 849 O PRO A 60 -0.447 -2.243 4.823 1.00 0.00 O ATOM 850 CB PRO A 60 2.700 -1.818 5.406 1.00 0.00 C ATOM 851 CG PRO A 60 2.403 -0.599 6.265 1.00 0.00 C ATOM 852 CD PRO A 60 1.621 0.390 5.415 1.00 0.00 C ATOM 0 HA PRO A 60 2.331 -2.011 3.287 1.00 0.00 H new ATOM 0 HB2 PRO A 60 2.496 -2.739 5.952 1.00 0.00 H new ATOM 0 HB3 PRO A 60 3.750 -1.845 5.116 1.00 0.00 H new ATOM 0 HG2 PRO A 60 1.828 -0.884 7.146 1.00 0.00 H new ATOM 0 HG3 PRO A 60 3.329 -0.148 6.621 1.00 0.00 H new ATOM 0 HD2 PRO A 60 0.675 0.656 5.886 1.00 0.00 H new ATOM 0 HD3 PRO A 60 2.177 1.316 5.272 1.00 0.00 H new ATOM 860 N ILE A 61 0.725 -3.790 3.664 1.00 0.00 N ATOM 861 CA ILE A 61 -0.356 -4.761 3.651 1.00 0.00 C ATOM 862 C ILE A 61 0.052 -5.984 4.476 1.00 0.00 C ATOM 863 O ILE A 61 1.139 -6.528 4.290 1.00 0.00 O ATOM 864 CB ILE A 61 -0.757 -5.096 2.213 1.00 0.00 C ATOM 865 CG1 ILE A 61 -2.174 -5.670 2.157 1.00 0.00 C ATOM 866 CG2 ILE A 61 0.266 -6.029 1.561 1.00 0.00 C ATOM 867 CD1 ILE A 61 -2.616 -5.901 0.711 1.00 0.00 C ATOM 0 H ILE A 61 1.576 -4.093 3.191 1.00 0.00 H new ATOM 0 HA ILE A 61 -1.248 -4.344 4.118 1.00 0.00 H new ATOM 0 HB ILE A 61 -0.762 -4.171 1.637 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -2.211 -6.610 2.707 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -2.867 -4.986 2.648 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -0.043 -6.251 0.540 1.00 0.00 H new ATOM 0 HG22 ILE A 61 1.243 -5.545 1.547 1.00 0.00 H new ATOM 0 HG23 ILE A 61 0.328 -6.956 2.131 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -3.627 -6.309 0.700 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -2.601 -4.955 0.170 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -1.936 -6.604 0.230 1.00 0.00 H new ATOM 879 N LEU A 62 -0.843 -6.379 5.369 1.00 0.00 N ATOM 880 CA LEU A 62 -0.591 -7.527 6.223 1.00 0.00 C ATOM 881 C LEU A 62 -1.310 -8.751 5.651 1.00 0.00 C ATOM 882 O LEU A 62 -2.531 -8.745 5.504 1.00 0.00 O ATOM 883 CB LEU A 62 -0.971 -7.211 7.671 1.00 0.00 C ATOM 884 CG LEU A 62 -0.102 -6.171 8.381 1.00 0.00 C ATOM 885 CD1 LEU A 62 -0.866 -5.510 9.529 1.00 0.00 C ATOM 886 CD2 LEU A 62 1.217 -6.786 8.850 1.00 0.00 C ATOM 0 H LEU A 62 -1.744 -5.925 5.520 1.00 0.00 H new ATOM 0 HA LEU A 62 0.473 -7.762 6.241 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -2.004 -6.864 7.687 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -0.937 -8.137 8.245 1.00 0.00 H new ATOM 0 HG LEU A 62 0.145 -5.387 7.665 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -0.226 -4.775 10.017 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -1.754 -5.014 9.137 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -1.164 -6.269 10.253 1.00 0.00 H new ATOM 0 HD21 LEU A 62 1.815 -6.025 9.351 1.00 0.00 H new ATOM 0 HD22 LEU A 62 1.012 -7.602 9.544 1.00 0.00 H new ATOM 0 HD23 LEU A 62 1.765 -7.170 7.990 1.00 0.00 H new ATOM 898 N SER A 63 -0.522 -9.771 5.345 1.00 0.00 N ATOM 899 CA SER A 63 -1.068 -10.999 4.793 1.00 0.00 C ATOM 900 C SER A 63 -1.882 -11.736 5.859 1.00 0.00 C ATOM 901 O SER A 63 -2.426 -12.808 5.599 1.00 0.00 O ATOM 902 CB SER A 63 0.043 -11.903 4.255 1.00 0.00 C ATOM 903 OG SER A 63 -0.451 -12.858 3.321 1.00 0.00 O ATOM 0 H SER A 63 0.490 -9.772 5.469 1.00 0.00 H new ATOM 0 HA SER A 63 -1.722 -10.738 3.961 1.00 0.00 H new ATOM 0 HB2 SER A 63 0.809 -11.291 3.777 1.00 0.00 H new ATOM 0 HB3 SER A 63 0.522 -12.422 5.085 1.00 0.00 H new ATOM 0 HG SER A 63 -1.295 -13.231 3.650 1.00 0.00 H new ATOM 909 N SER A 64 -1.941 -11.130 7.036 1.00 0.00 N ATOM 910 CA SER A 64 -2.679 -11.715 8.142 1.00 0.00 C ATOM 911 C SER A 64 -4.077 -11.097 8.224 1.00 0.00 C ATOM 912 O SER A 64 -4.947 -11.611 8.923 1.00 0.00 O ATOM 913 CB SER A 64 -1.936 -11.521 9.465 1.00 0.00 C ATOM 914 OG SER A 64 -1.049 -12.602 9.742 1.00 0.00 O ATOM 0 H SER A 64 -1.490 -10.240 7.247 1.00 0.00 H new ATOM 0 HA SER A 64 -2.771 -12.786 7.962 1.00 0.00 H new ATOM 0 HB2 SER A 64 -1.372 -10.589 9.431 1.00 0.00 H new ATOM 0 HB3 SER A 64 -2.658 -11.427 10.276 1.00 0.00 H new ATOM 0 HG SER A 64 -0.592 -12.440 10.594 1.00 0.00 H new ATOM 920 N GLY A 65 -4.248 -10.001 7.498 1.00 0.00 N ATOM 921 CA GLY A 65 -5.524 -9.307 7.479 1.00 0.00 C ATOM 922 C GLY A 65 -5.649 -8.358 8.672 1.00 0.00 C ATOM 923 O GLY A 65 -6.717 -8.249 9.274 1.00 0.00 O ATOM 0 H GLY A 65 -3.523 -9.577 6.919 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -5.622 -8.745 6.550 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -6.337 -10.033 7.500 1.00 0.00 H new ATOM 927 N ASP A 66 -4.544 -7.694 8.978 1.00 0.00 N ATOM 928 CA ASP A 66 -4.516 -6.757 10.088 1.00 0.00 C ATOM 929 C ASP A 66 -4.297 -5.341 9.550 1.00 0.00 C ATOM 930 O ASP A 66 -4.356 -5.117 8.341 1.00 0.00 O ATOM 931 CB ASP A 66 -3.373 -7.078 11.052 1.00 0.00 C ATOM 932 CG ASP A 66 -3.458 -8.451 11.722 1.00 0.00 C ATOM 933 OD1 ASP A 66 -3.933 -9.387 11.041 1.00 0.00 O ATOM 934 OD2 ASP A 66 -3.048 -8.534 12.900 1.00 0.00 O ATOM 0 H ASP A 66 -3.661 -7.787 8.476 1.00 0.00 H new ATOM 0 HA ASP A 66 -5.466 -6.834 10.617 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -2.430 -7.014 10.508 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -3.346 -6.313 11.828 1.00 0.00 H new ATOM 939 N VAL A 67 -4.050 -4.423 10.472 1.00 0.00 N ATOM 940 CA VAL A 67 -3.822 -3.036 10.106 1.00 0.00 C ATOM 941 C VAL A 67 -2.453 -2.594 10.628 1.00 0.00 C ATOM 942 O VAL A 67 -2.279 -2.390 11.828 1.00 0.00 O ATOM 943 CB VAL A 67 -4.969 -2.164 10.621 1.00 0.00 C ATOM 944 CG1 VAL A 67 -4.526 -0.707 10.766 1.00 0.00 C ATOM 945 CG2 VAL A 67 -6.194 -2.277 9.710 1.00 0.00 C ATOM 0 H VAL A 67 -4.003 -4.613 11.473 1.00 0.00 H new ATOM 0 HA VAL A 67 -3.808 -2.924 9.022 1.00 0.00 H new ATOM 0 HB VAL A 67 -5.251 -2.528 11.609 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -5.359 -0.108 11.133 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -3.697 -0.647 11.471 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -4.205 -0.326 9.796 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -6.995 -1.648 10.098 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -5.931 -1.950 8.704 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -6.530 -3.314 9.679 1.00 0.00 H new ATOM 955 N TYR A 68 -1.517 -2.458 9.700 1.00 0.00 N ATOM 956 CA TYR A 68 -0.170 -2.043 10.051 1.00 0.00 C ATOM 957 C TYR A 68 -0.196 -0.870 11.033 1.00 0.00 C ATOM 958 O TYR A 68 -0.235 0.288 10.621 1.00 0.00 O ATOM 959 CB TYR A 68 0.484 -1.586 8.746 1.00 0.00 C ATOM 960 CG TYR A 68 1.375 -0.352 8.896 1.00 0.00 C ATOM 961 CD1 TYR A 68 2.455 -0.379 9.755 1.00 0.00 C ATOM 962 CD2 TYR A 68 1.099 0.790 8.172 1.00 0.00 C ATOM 963 CE1 TYR A 68 3.293 0.783 9.895 1.00 0.00 C ATOM 964 CE2 TYR A 68 1.937 1.953 8.312 1.00 0.00 C ATOM 965 CZ TYR A 68 2.993 1.892 9.167 1.00 0.00 C ATOM 966 OH TYR A 68 3.784 2.989 9.299 1.00 0.00 O ATOM 0 H TYR A 68 -1.665 -2.628 8.705 1.00 0.00 H new ATOM 0 HA TYR A 68 0.372 -2.861 10.526 1.00 0.00 H new ATOM 0 HB2 TYR A 68 1.080 -2.405 8.344 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -0.297 -1.371 8.016 1.00 0.00 H new ATOM 0 HD1 TYR A 68 2.671 -1.272 10.322 1.00 0.00 H new ATOM 0 HD2 TYR A 68 0.254 0.812 7.500 1.00 0.00 H new ATOM 0 HE1 TYR A 68 4.141 0.774 10.563 1.00 0.00 H new ATOM 0 HE2 TYR A 68 1.732 2.853 7.751 1.00 0.00 H new ATOM 0 HH TYR A 68 4.014 3.335 8.411 1.00 0.00 H new ATOM 976 N SER A 69 -0.174 -1.210 12.314 1.00 0.00 N ATOM 977 CA SER A 69 -0.194 -0.199 13.357 1.00 0.00 C ATOM 978 C SER A 69 1.230 0.080 13.843 1.00 0.00 C ATOM 979 O SER A 69 1.448 0.980 14.653 1.00 0.00 O ATOM 980 CB SER A 69 -1.078 -0.633 14.526 1.00 0.00 C ATOM 981 OG SER A 69 -0.513 -1.725 15.248 1.00 0.00 O ATOM 0 H SER A 69 -0.143 -2.172 12.653 1.00 0.00 H new ATOM 0 HA SER A 69 -0.614 0.716 12.939 1.00 0.00 H new ATOM 0 HB2 SER A 69 -1.226 0.210 15.201 1.00 0.00 H new ATOM 0 HB3 SER A 69 -2.061 -0.917 14.151 1.00 0.00 H new ATOM 0 HG SER A 69 -1.107 -1.971 15.987 1.00 0.00 H new ATOM 987 N GLY A 70 2.162 -0.708 13.328 1.00 0.00 N ATOM 988 CA GLY A 70 3.559 -0.558 13.700 1.00 0.00 C ATOM 989 C GLY A 70 4.459 -0.561 12.462 1.00 0.00 C ATOM 990 O GLY A 70 4.145 -1.208 11.465 1.00 0.00 O ATOM 0 H GLY A 70 1.977 -1.453 12.656 1.00 0.00 H new ATOM 0 HA2 GLY A 70 3.695 0.373 14.250 1.00 0.00 H new ATOM 0 HA3 GLY A 70 3.850 -1.369 14.368 1.00 0.00 H new ATOM 994 N GLY A 71 5.559 0.168 12.569 1.00 0.00 N ATOM 995 CA GLY A 71 6.507 0.258 11.471 1.00 0.00 C ATOM 996 C GLY A 71 7.240 -1.070 11.271 1.00 0.00 C ATOM 997 O GLY A 71 8.455 -1.089 11.075 1.00 0.00 O ATOM 0 H GLY A 71 5.816 0.702 13.399 1.00 0.00 H new ATOM 0 HA2 GLY A 71 5.983 0.530 10.555 1.00 0.00 H new ATOM 0 HA3 GLY A 71 7.229 1.049 11.673 1.00 0.00 H new ATOM 1001 N SER A 72 6.472 -2.148 11.327 1.00 0.00 N ATOM 1002 CA SER A 72 7.033 -3.477 11.154 1.00 0.00 C ATOM 1003 C SER A 72 6.062 -4.356 10.364 1.00 0.00 C ATOM 1004 O SER A 72 5.751 -5.472 10.780 1.00 0.00 O ATOM 1005 CB SER A 72 7.354 -4.120 12.505 1.00 0.00 C ATOM 1006 OG SER A 72 6.177 -4.358 13.274 1.00 0.00 O ATOM 0 H SER A 72 5.465 -2.128 11.490 1.00 0.00 H new ATOM 0 HA SER A 72 7.965 -3.385 10.596 1.00 0.00 H new ATOM 0 HB2 SER A 72 7.879 -5.062 12.343 1.00 0.00 H new ATOM 0 HB3 SER A 72 8.028 -3.472 13.065 1.00 0.00 H new ATOM 0 HG SER A 72 5.578 -4.955 12.779 1.00 0.00 H new ATOM 1012 N PRO A 73 5.599 -3.808 9.209 1.00 0.00 N ATOM 1013 CA PRO A 73 4.670 -4.531 8.358 1.00 0.00 C ATOM 1014 C PRO A 73 5.385 -5.641 7.584 1.00 0.00 C ATOM 1015 O PRO A 73 5.380 -6.797 8.004 1.00 0.00 O ATOM 1016 CB PRO A 73 4.061 -3.472 7.451 1.00 0.00 C ATOM 1017 CG PRO A 73 5.005 -2.281 7.511 1.00 0.00 C ATOM 1018 CD PRO A 73 5.946 -2.490 8.686 1.00 0.00 C ATOM 0 HA PRO A 73 3.894 -5.046 8.925 1.00 0.00 H new ATOM 0 HB2 PRO A 73 3.962 -3.841 6.430 1.00 0.00 H new ATOM 0 HB3 PRO A 73 3.062 -3.196 7.788 1.00 0.00 H new ATOM 0 HG2 PRO A 73 5.568 -2.193 6.582 1.00 0.00 H new ATOM 0 HG3 PRO A 73 4.443 -1.355 7.632 1.00 0.00 H new ATOM 0 HD2 PRO A 73 6.989 -2.451 8.370 1.00 0.00 H new ATOM 0 HD3 PRO A 73 5.813 -1.716 9.442 1.00 0.00 H new ATOM 1026 N GLY A 74 5.981 -5.250 6.467 1.00 0.00 N ATOM 1027 CA GLY A 74 6.698 -6.197 5.631 1.00 0.00 C ATOM 1028 C GLY A 74 6.987 -5.602 4.251 1.00 0.00 C ATOM 1029 O GLY A 74 6.349 -4.632 3.844 1.00 0.00 O ATOM 0 H GLY A 74 5.982 -4.290 6.122 1.00 0.00 H new ATOM 0 HA2 GLY A 74 7.634 -6.477 6.113 1.00 0.00 H new ATOM 0 HA3 GLY A 74 6.111 -7.109 5.522 1.00 0.00 H new ATOM 1033 N ALA A 75 7.947 -6.209 3.569 1.00 0.00 N ATOM 1034 CA ALA A 75 8.327 -5.752 2.243 1.00 0.00 C ATOM 1035 C ALA A 75 7.066 -5.444 1.434 1.00 0.00 C ATOM 1036 O ALA A 75 7.063 -4.536 0.604 1.00 0.00 O ATOM 1037 CB ALA A 75 9.208 -6.807 1.573 1.00 0.00 C ATOM 0 H ALA A 75 8.473 -7.014 3.910 1.00 0.00 H new ATOM 0 HA ALA A 75 8.910 -4.833 2.305 1.00 0.00 H new ATOM 0 HB1 ALA A 75 9.493 -6.464 0.578 1.00 0.00 H new ATOM 0 HB2 ALA A 75 10.104 -6.967 2.173 1.00 0.00 H new ATOM 0 HB3 ALA A 75 8.656 -7.743 1.490 1.00 0.00 H new ATOM 1043 N ASP A 76 6.025 -6.218 1.704 1.00 0.00 N ATOM 1044 CA ASP A 76 4.760 -6.039 1.010 1.00 0.00 C ATOM 1045 C ASP A 76 4.147 -4.697 1.413 1.00 0.00 C ATOM 1046 O ASP A 76 3.952 -4.430 2.598 1.00 0.00 O ATOM 1047 CB ASP A 76 3.768 -7.143 1.382 1.00 0.00 C ATOM 1048 CG ASP A 76 4.371 -8.544 1.497 1.00 0.00 C ATOM 1049 OD1 ASP A 76 5.392 -8.780 0.814 1.00 0.00 O ATOM 1050 OD2 ASP A 76 3.800 -9.346 2.266 1.00 0.00 O ATOM 0 H ASP A 76 6.031 -6.970 2.393 1.00 0.00 H new ATOM 0 HA ASP A 76 4.955 -6.075 -0.062 1.00 0.00 H new ATOM 0 HB2 ASP A 76 3.301 -6.886 2.333 1.00 0.00 H new ATOM 0 HB3 ASP A 76 2.976 -7.165 0.634 1.00 0.00 H new ATOM 1055 N ARG A 77 3.861 -3.886 0.404 1.00 0.00 N ATOM 1056 CA ARG A 77 3.274 -2.578 0.640 1.00 0.00 C ATOM 1057 C ARG A 77 2.228 -2.266 -0.432 1.00 0.00 C ATOM 1058 O ARG A 77 2.393 -2.638 -1.593 1.00 0.00 O ATOM 1059 CB ARG A 77 4.345 -1.485 0.632 1.00 0.00 C ATOM 1060 CG ARG A 77 5.574 -1.917 1.433 1.00 0.00 C ATOM 1061 CD ARG A 77 5.455 -1.486 2.896 1.00 0.00 C ATOM 1062 NE ARG A 77 6.774 -1.049 3.404 1.00 0.00 N ATOM 1063 CZ ARG A 77 7.391 -1.597 4.460 1.00 0.00 C ATOM 1064 NH1 ARG A 77 6.812 -2.607 5.125 1.00 0.00 N ATOM 1065 NH2 ARG A 77 8.588 -1.136 4.851 1.00 0.00 N ATOM 0 H ARG A 77 4.025 -4.110 -0.578 1.00 0.00 H new ATOM 0 HA ARG A 77 2.799 -2.598 1.621 1.00 0.00 H new ATOM 0 HB2 ARG A 77 4.635 -1.263 -0.395 1.00 0.00 H new ATOM 0 HB3 ARG A 77 3.936 -0.567 1.053 1.00 0.00 H new ATOM 0 HG2 ARG A 77 5.686 -3.000 1.377 1.00 0.00 H new ATOM 0 HG3 ARG A 77 6.471 -1.480 0.993 1.00 0.00 H new ATOM 0 HD2 ARG A 77 4.734 -0.674 2.987 1.00 0.00 H new ATOM 0 HD3 ARG A 77 5.080 -2.314 3.498 1.00 0.00 H new ATOM 0 HE ARG A 77 7.243 -0.283 2.920 1.00 0.00 H new ATOM 0 HH11 ARG A 77 5.902 -2.958 4.827 1.00 0.00 H new ATOM 0 HH12 ARG A 77 7.282 -3.024 5.929 1.00 0.00 H new ATOM 0 HH21 ARG A 77 9.029 -0.368 4.345 1.00 0.00 H new ATOM 0 HH22 ARG A 77 9.057 -1.553 5.655 1.00 0.00 H new ATOM 1079 N VAL A 78 1.175 -1.585 -0.005 1.00 0.00 N ATOM 1080 CA VAL A 78 0.102 -1.218 -0.914 1.00 0.00 C ATOM 1081 C VAL A 78 0.056 0.305 -1.054 1.00 0.00 C ATOM 1082 O VAL A 78 0.413 1.028 -0.125 1.00 0.00 O ATOM 1083 CB VAL A 78 -1.222 -1.814 -0.429 1.00 0.00 C ATOM 1084 CG1 VAL A 78 -1.293 -3.311 -0.735 1.00 0.00 C ATOM 1085 CG2 VAL A 78 -1.428 -1.548 1.063 1.00 0.00 C ATOM 0 H VAL A 78 1.042 -1.278 0.958 1.00 0.00 H new ATOM 0 HA VAL A 78 0.285 -1.630 -1.906 1.00 0.00 H new ATOM 0 HB VAL A 78 -2.030 -1.323 -0.971 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -2.243 -3.710 -0.380 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -1.213 -3.467 -1.811 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -0.474 -3.824 -0.232 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -2.376 -1.982 1.382 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -0.613 -2.000 1.629 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -1.442 -0.473 1.242 1.00 0.00 H new ATOM 1095 N VAL A 79 -0.386 0.747 -2.222 1.00 0.00 N ATOM 1096 CA VAL A 79 -0.482 2.171 -2.496 1.00 0.00 C ATOM 1097 C VAL A 79 -1.854 2.478 -3.100 1.00 0.00 C ATOM 1098 O VAL A 79 -2.162 2.037 -4.206 1.00 0.00 O ATOM 1099 CB VAL A 79 0.677 2.612 -3.391 1.00 0.00 C ATOM 1100 CG1 VAL A 79 0.548 4.090 -3.767 1.00 0.00 C ATOM 1101 CG2 VAL A 79 2.024 2.332 -2.721 1.00 0.00 C ATOM 0 H VAL A 79 -0.682 0.144 -2.990 1.00 0.00 H new ATOM 0 HA VAL A 79 -0.397 2.744 -1.573 1.00 0.00 H new ATOM 0 HB VAL A 79 0.632 2.028 -4.310 1.00 0.00 H new ATOM 0 HG11 VAL A 79 1.385 4.378 -4.404 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -0.387 4.249 -4.303 1.00 0.00 H new ATOM 0 HG13 VAL A 79 0.555 4.698 -2.862 1.00 0.00 H new ATOM 0 HG21 VAL A 79 2.831 2.655 -3.378 1.00 0.00 H new ATOM 0 HG22 VAL A 79 2.082 2.878 -1.779 1.00 0.00 H new ATOM 0 HG23 VAL A 79 2.119 1.264 -2.527 1.00 0.00 H new ATOM 1111 N PHE A 80 -2.642 3.231 -2.346 1.00 0.00 N ATOM 1112 CA PHE A 80 -3.974 3.601 -2.794 1.00 0.00 C ATOM 1113 C PHE A 80 -4.114 5.122 -2.897 1.00 0.00 C ATOM 1114 O PHE A 80 -3.124 5.831 -3.067 1.00 0.00 O ATOM 1115 CB PHE A 80 -4.959 3.080 -1.746 1.00 0.00 C ATOM 1116 CG PHE A 80 -4.866 3.791 -0.395 1.00 0.00 C ATOM 1117 CD1 PHE A 80 -3.784 3.592 0.404 1.00 0.00 C ATOM 1118 CD2 PHE A 80 -5.864 4.622 0.006 1.00 0.00 C ATOM 1119 CE1 PHE A 80 -3.696 4.253 1.659 1.00 0.00 C ATOM 1120 CE2 PHE A 80 -5.778 5.283 1.260 1.00 0.00 C ATOM 1121 CZ PHE A 80 -4.696 5.085 2.060 1.00 0.00 C ATOM 0 H PHE A 80 -2.384 3.595 -1.429 1.00 0.00 H new ATOM 0 HA PHE A 80 -4.167 3.177 -3.780 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -5.973 3.186 -2.131 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -4.785 2.014 -1.597 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -2.991 2.932 0.085 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -6.723 4.780 -0.629 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -2.837 4.095 2.294 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -6.572 5.943 1.578 1.00 0.00 H new ATOM 0 HZ PHE A 80 -4.630 5.588 3.013 1.00 0.00 H new ATOM 1131 N ASN A 81 -5.354 5.578 -2.788 1.00 0.00 N ATOM 1132 CA ASN A 81 -5.637 7.002 -2.866 1.00 0.00 C ATOM 1133 C ASN A 81 -6.684 7.367 -1.813 1.00 0.00 C ATOM 1134 O ASN A 81 -6.925 6.603 -0.880 1.00 0.00 O ATOM 1135 CB ASN A 81 -6.197 7.376 -4.239 1.00 0.00 C ATOM 1136 CG ASN A 81 -5.763 6.366 -5.303 1.00 0.00 C ATOM 1137 OD1 ASN A 81 -4.862 6.603 -6.090 1.00 0.00 O ATOM 1138 ND2 ASN A 81 -6.453 5.229 -5.283 1.00 0.00 N ATOM 0 H ASN A 81 -6.173 4.987 -2.646 1.00 0.00 H new ATOM 0 HA ASN A 81 -4.705 7.542 -2.697 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -7.285 7.416 -4.193 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -5.853 8.372 -4.517 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -6.239 4.491 -5.954 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -7.196 5.095 -4.597 1.00 0.00 H new ATOM 1145 N GLU A 82 -7.278 8.537 -1.996 1.00 0.00 N ATOM 1146 CA GLU A 82 -8.294 9.014 -1.074 1.00 0.00 C ATOM 1147 C GLU A 82 -9.687 8.602 -1.557 1.00 0.00 C ATOM 1148 O GLU A 82 -10.692 8.988 -0.964 1.00 0.00 O ATOM 1149 CB GLU A 82 -8.203 10.530 -0.892 1.00 0.00 C ATOM 1150 CG GLU A 82 -9.070 10.996 0.278 1.00 0.00 C ATOM 1151 CD GLU A 82 -8.891 12.495 0.532 1.00 0.00 C ATOM 1152 OE1 GLU A 82 -7.772 12.985 0.267 1.00 0.00 O ATOM 1153 OE2 GLU A 82 -9.877 13.116 0.983 1.00 0.00 O ATOM 0 H GLU A 82 -7.075 9.169 -2.770 1.00 0.00 H new ATOM 0 HA GLU A 82 -8.117 8.554 -0.102 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -7.166 10.817 -0.717 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -8.522 11.029 -1.807 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -10.118 10.782 0.066 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -8.806 10.437 1.176 1.00 0.00 H new ATOM 1160 N ASN A 83 -9.699 7.825 -2.630 1.00 0.00 N ATOM 1161 CA ASN A 83 -10.950 7.358 -3.201 1.00 0.00 C ATOM 1162 C ASN A 83 -11.266 5.964 -2.655 1.00 0.00 C ATOM 1163 O ASN A 83 -12.423 5.545 -2.641 1.00 0.00 O ATOM 1164 CB ASN A 83 -10.859 7.259 -4.724 1.00 0.00 C ATOM 1165 CG ASN A 83 -9.404 7.340 -5.193 1.00 0.00 C ATOM 1166 OD1 ASN A 83 -8.832 8.407 -5.341 1.00 0.00 O ATOM 1167 ND2 ASN A 83 -8.840 6.156 -5.415 1.00 0.00 N ATOM 0 H ASN A 83 -8.862 7.507 -3.119 1.00 0.00 H new ATOM 0 HA ASN A 83 -11.729 8.071 -2.933 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -11.301 6.320 -5.058 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -11.437 8.063 -5.179 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -7.871 6.104 -5.729 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -9.377 5.301 -5.271 1.00 0.00 H new ATOM 1174 N ASN A 84 -10.217 5.283 -2.218 1.00 0.00 N ATOM 1175 CA ASN A 84 -10.367 3.946 -1.672 1.00 0.00 C ATOM 1176 C ASN A 84 -9.839 2.925 -2.682 1.00 0.00 C ATOM 1177 O ASN A 84 -10.203 1.751 -2.633 1.00 0.00 O ATOM 1178 CB ASN A 84 -11.837 3.623 -1.400 1.00 0.00 C ATOM 1179 CG ASN A 84 -12.537 3.138 -2.671 1.00 0.00 C ATOM 1180 OD1 ASN A 84 -13.513 2.406 -2.632 1.00 0.00 O ATOM 1181 ND2 ASN A 84 -11.985 3.582 -3.796 1.00 0.00 N ATOM 0 H ASN A 84 -9.259 5.633 -2.231 1.00 0.00 H new ATOM 0 HA ASN A 84 -9.808 3.900 -0.737 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -11.908 2.858 -0.627 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -12.343 4.510 -1.018 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -12.378 3.312 -4.698 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -11.169 4.192 -3.757 1.00 0.00 H new ATOM 1188 N GLN A 85 -8.988 3.409 -3.574 1.00 0.00 N ATOM 1189 CA GLN A 85 -8.406 2.553 -4.596 1.00 0.00 C ATOM 1190 C GLN A 85 -6.931 2.288 -4.287 1.00 0.00 C ATOM 1191 O GLN A 85 -6.116 3.208 -4.299 1.00 0.00 O ATOM 1192 CB GLN A 85 -8.574 3.167 -5.986 1.00 0.00 C ATOM 1193 CG GLN A 85 -10.053 3.361 -6.325 1.00 0.00 C ATOM 1194 CD GLN A 85 -10.219 4.142 -7.631 1.00 0.00 C ATOM 1195 OE1 GLN A 85 -10.677 3.629 -8.638 1.00 0.00 O ATOM 1196 NE2 GLN A 85 -9.821 5.410 -7.557 1.00 0.00 N ATOM 0 H GLN A 85 -8.687 4.383 -3.611 1.00 0.00 H new ATOM 0 HA GLN A 85 -8.935 1.600 -4.591 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -8.059 4.127 -6.028 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -8.108 2.522 -6.731 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -10.540 2.390 -6.414 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -10.549 3.893 -5.513 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -9.446 5.777 -6.682 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -9.891 6.015 -8.375 1.00 0.00 H new ATOM 1205 N LEU A 86 -6.634 1.025 -4.018 1.00 0.00 N ATOM 1206 CA LEU A 86 -5.272 0.626 -3.708 1.00 0.00 C ATOM 1207 C LEU A 86 -4.627 0.014 -4.953 1.00 0.00 C ATOM 1208 O LEU A 86 -5.321 -0.533 -5.810 1.00 0.00 O ATOM 1209 CB LEU A 86 -5.248 -0.294 -2.486 1.00 0.00 C ATOM 1210 CG LEU A 86 -3.886 -0.887 -2.119 1.00 0.00 C ATOM 1211 CD1 LEU A 86 -3.926 -1.538 -0.735 1.00 0.00 C ATOM 1212 CD2 LEU A 86 -3.402 -1.859 -3.196 1.00 0.00 C ATOM 0 H LEU A 86 -7.314 0.265 -4.008 1.00 0.00 H new ATOM 0 HA LEU A 86 -4.674 1.495 -3.435 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -5.622 0.265 -1.628 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -5.944 -1.114 -2.660 1.00 0.00 H new ATOM 0 HG LEU A 86 -3.162 -0.074 -2.071 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -2.945 -1.951 -0.499 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -4.194 -0.790 0.011 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -4.667 -2.337 -0.730 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -2.432 -2.266 -2.910 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -4.120 -2.673 -3.301 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -3.309 -1.333 -4.146 1.00 0.00 H new ATOM 1224 N ALA A 87 -3.309 0.126 -5.014 1.00 0.00 N ATOM 1225 CA ALA A 87 -2.564 -0.411 -6.140 1.00 0.00 C ATOM 1226 C ALA A 87 -1.102 -0.605 -5.733 1.00 0.00 C ATOM 1227 O ALA A 87 -0.490 -1.620 -6.064 1.00 0.00 O ATOM 1228 CB ALA A 87 -2.714 0.521 -7.344 1.00 0.00 C ATOM 0 H ALA A 87 -2.737 0.581 -4.302 1.00 0.00 H new ATOM 0 HA ALA A 87 -2.958 -1.385 -6.430 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -2.155 0.118 -8.188 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -3.767 0.602 -7.612 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -2.327 1.508 -7.091 1.00 0.00 H new ATOM 1234 N GLY A 88 -0.583 0.384 -5.020 1.00 0.00 N ATOM 1235 CA GLY A 88 0.795 0.335 -4.565 1.00 0.00 C ATOM 1236 C GLY A 88 1.090 -0.986 -3.850 1.00 0.00 C ATOM 1237 O GLY A 88 1.529 -0.989 -2.702 1.00 0.00 O ATOM 0 H GLY A 88 -1.093 1.224 -4.746 1.00 0.00 H new ATOM 0 HA2 GLY A 88 1.467 0.450 -5.416 1.00 0.00 H new ATOM 0 HA3 GLY A 88 0.989 1.169 -3.890 1.00 0.00 H new ATOM 1241 N VAL A 89 0.837 -2.075 -4.560 1.00 0.00 N ATOM 1242 CA VAL A 89 1.070 -3.399 -4.009 1.00 0.00 C ATOM 1243 C VAL A 89 2.543 -3.770 -4.189 1.00 0.00 C ATOM 1244 O VAL A 89 2.873 -4.938 -4.386 1.00 0.00 O ATOM 1245 CB VAL A 89 0.117 -4.408 -4.652 1.00 0.00 C ATOM 1246 CG1 VAL A 89 0.792 -5.770 -4.819 1.00 0.00 C ATOM 1247 CG2 VAL A 89 -1.176 -4.533 -3.843 1.00 0.00 C ATOM 0 H VAL A 89 0.473 -2.068 -5.513 1.00 0.00 H new ATOM 0 HA VAL A 89 0.861 -3.410 -2.939 1.00 0.00 H new ATOM 0 HB VAL A 89 -0.142 -4.039 -5.644 1.00 0.00 H new ATOM 0 HG11 VAL A 89 0.093 -6.469 -5.278 1.00 0.00 H new ATOM 0 HG12 VAL A 89 1.671 -5.665 -5.455 1.00 0.00 H new ATOM 0 HG13 VAL A 89 1.094 -6.148 -3.843 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -1.836 -5.256 -4.322 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -0.942 -4.868 -2.833 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -1.672 -3.564 -3.798 1.00 0.00 H new ATOM 1257 N ILE A 90 3.390 -2.753 -4.113 1.00 0.00 N ATOM 1258 CA ILE A 90 4.820 -2.958 -4.265 1.00 0.00 C ATOM 1259 C ILE A 90 5.332 -3.828 -3.115 1.00 0.00 C ATOM 1260 O ILE A 90 4.574 -4.174 -2.210 1.00 0.00 O ATOM 1261 CB ILE A 90 5.544 -1.615 -4.388 1.00 0.00 C ATOM 1262 CG1 ILE A 90 5.700 -0.949 -3.019 1.00 0.00 C ATOM 1263 CG2 ILE A 90 4.838 -0.702 -5.392 1.00 0.00 C ATOM 1264 CD1 ILE A 90 4.695 0.191 -2.846 1.00 0.00 C ATOM 0 H ILE A 90 3.113 -1.785 -3.948 1.00 0.00 H new ATOM 0 HA ILE A 90 5.031 -3.495 -5.190 1.00 0.00 H new ATOM 0 HB ILE A 90 6.547 -1.801 -4.772 1.00 0.00 H new ATOM 0 HG12 ILE A 90 5.555 -1.689 -2.232 1.00 0.00 H new ATOM 0 HG13 ILE A 90 6.714 -0.564 -2.911 1.00 0.00 H new ATOM 0 HG21 ILE A 90 5.372 0.245 -5.461 1.00 0.00 H new ATOM 0 HG22 ILE A 90 4.822 -1.181 -6.371 1.00 0.00 H new ATOM 0 HG23 ILE A 90 3.816 -0.519 -5.061 1.00 0.00 H new ATOM 0 HD11 ILE A 90 4.827 0.647 -1.865 1.00 0.00 H new ATOM 0 HD12 ILE A 90 4.859 0.941 -3.620 1.00 0.00 H new ATOM 0 HD13 ILE A 90 3.682 -0.202 -2.930 1.00 0.00 H new ATOM 1276 N THR A 91 6.613 -4.159 -3.190 1.00 0.00 N ATOM 1277 CA THR A 91 7.234 -4.983 -2.167 1.00 0.00 C ATOM 1278 C THR A 91 8.758 -4.872 -2.245 1.00 0.00 C ATOM 1279 O THR A 91 9.315 -4.682 -3.325 1.00 0.00 O ATOM 1280 CB THR A 91 6.719 -6.413 -2.336 1.00 0.00 C ATOM 1281 OG1 THR A 91 7.789 -7.226 -1.861 1.00 0.00 O ATOM 1282 CG2 THR A 91 6.572 -6.813 -3.805 1.00 0.00 C ATOM 0 H THR A 91 7.238 -3.871 -3.943 1.00 0.00 H new ATOM 0 HA THR A 91 6.966 -4.642 -1.167 1.00 0.00 H new ATOM 0 HB THR A 91 5.756 -6.513 -1.834 1.00 0.00 H new ATOM 0 HG1 THR A 91 7.539 -8.171 -1.933 1.00 0.00 H new ATOM 0 HG21 THR A 91 6.203 -7.837 -3.868 1.00 0.00 H new ATOM 0 HG22 THR A 91 5.867 -6.142 -4.296 1.00 0.00 H new ATOM 0 HG23 THR A 91 7.541 -6.745 -4.299 1.00 0.00 H new ATOM 1290 N HIS A 92 9.388 -4.995 -1.086 1.00 0.00 N ATOM 1291 CA HIS A 92 10.837 -4.910 -1.010 1.00 0.00 C ATOM 1292 C HIS A 92 11.456 -6.195 -1.566 1.00 0.00 C ATOM 1293 O HIS A 92 12.654 -6.428 -1.413 1.00 0.00 O ATOM 1294 CB HIS A 92 11.288 -4.604 0.419 1.00 0.00 C ATOM 1295 CG HIS A 92 11.204 -3.143 0.790 1.00 0.00 C ATOM 1296 ND1 HIS A 92 12.260 -2.452 1.359 1.00 0.00 N ATOM 1297 CD2 HIS A 92 10.182 -2.249 0.665 1.00 0.00 C ATOM 1298 CE1 HIS A 92 11.878 -1.200 1.565 1.00 0.00 C ATOM 1299 NE2 HIS A 92 10.589 -1.077 1.135 1.00 0.00 N ATOM 0 H HIS A 92 8.922 -5.153 -0.192 1.00 0.00 H new ATOM 0 HA HIS A 92 11.190 -4.082 -1.625 1.00 0.00 H new ATOM 0 HB2 HIS A 92 10.676 -5.180 1.113 1.00 0.00 H new ATOM 0 HB3 HIS A 92 12.317 -4.942 0.544 1.00 0.00 H new ATOM 0 HD2 HIS A 92 9.206 -2.459 0.253 1.00 0.00 H new ATOM 0 HE1 HIS A 92 12.481 -0.415 1.997 1.00 0.00 H new ATOM 0 HE2 HIS A 92 10.030 -0.224 1.169 1.00 0.00 H new ATOM 1308 N THR A 93 10.610 -6.995 -2.198 1.00 0.00 N ATOM 1309 CA THR A 93 11.059 -8.250 -2.776 1.00 0.00 C ATOM 1310 C THR A 93 12.301 -8.026 -3.641 1.00 0.00 C ATOM 1311 O THR A 93 12.196 -7.879 -4.858 1.00 0.00 O ATOM 1312 CB THR A 93 9.886 -8.863 -3.546 1.00 0.00 C ATOM 1313 OG1 THR A 93 9.231 -9.685 -2.583 1.00 0.00 O ATOM 1314 CG2 THR A 93 10.343 -9.845 -4.625 1.00 0.00 C ATOM 0 H THR A 93 9.617 -6.799 -2.322 1.00 0.00 H new ATOM 0 HA THR A 93 11.363 -8.954 -2.002 1.00 0.00 H new ATOM 0 HB THR A 93 9.298 -8.068 -4.005 1.00 0.00 H new ATOM 0 HG1 THR A 93 8.457 -10.120 -2.997 1.00 0.00 H new ATOM 0 HG21 THR A 93 9.472 -10.250 -5.140 1.00 0.00 H new ATOM 0 HG22 THR A 93 10.981 -9.327 -5.342 1.00 0.00 H new ATOM 0 HG23 THR A 93 10.903 -10.658 -4.163 1.00 0.00 H new ATOM 1322 N GLY A 94 13.448 -8.004 -2.978 1.00 0.00 N ATOM 1323 CA GLY A 94 14.708 -7.800 -3.671 1.00 0.00 C ATOM 1324 C GLY A 94 14.526 -6.885 -4.883 1.00 0.00 C ATOM 1325 O GLY A 94 15.165 -7.080 -5.916 1.00 0.00 O ATOM 0 H GLY A 94 13.531 -8.124 -1.968 1.00 0.00 H new ATOM 0 HA2 GLY A 94 15.436 -7.363 -2.988 1.00 0.00 H new ATOM 0 HA3 GLY A 94 15.109 -8.761 -3.993 1.00 0.00 H new ATOM 1329 N ALA A 95 13.650 -5.904 -4.718 1.00 0.00 N ATOM 1330 CA ALA A 95 13.375 -4.958 -5.785 1.00 0.00 C ATOM 1331 C ALA A 95 14.695 -4.379 -6.301 1.00 0.00 C ATOM 1332 O ALA A 95 14.826 -4.085 -7.488 1.00 0.00 O ATOM 1333 CB ALA A 95 12.424 -3.874 -5.275 1.00 0.00 C ATOM 0 H ALA A 95 13.121 -5.744 -3.860 1.00 0.00 H new ATOM 0 HA ALA A 95 12.884 -5.456 -6.621 1.00 0.00 H new ATOM 0 HB1 ALA A 95 12.218 -3.164 -6.076 1.00 0.00 H new ATOM 0 HB2 ALA A 95 11.491 -4.333 -4.948 1.00 0.00 H new ATOM 0 HB3 ALA A 95 12.884 -3.351 -4.437 1.00 0.00 H new ATOM 1339 N SER A 96 15.639 -4.235 -5.383 1.00 0.00 N ATOM 1340 CA SER A 96 16.944 -3.697 -5.729 1.00 0.00 C ATOM 1341 C SER A 96 17.399 -2.699 -4.663 1.00 0.00 C ATOM 1342 O SER A 96 17.963 -1.655 -4.985 1.00 0.00 O ATOM 1343 CB SER A 96 16.916 -3.029 -7.105 1.00 0.00 C ATOM 1344 OG SER A 96 18.092 -2.262 -7.350 1.00 0.00 O ATOM 0 H SER A 96 15.526 -4.482 -4.400 1.00 0.00 H new ATOM 0 HA SER A 96 17.655 -4.523 -5.770 1.00 0.00 H new ATOM 0 HB2 SER A 96 16.814 -3.792 -7.876 1.00 0.00 H new ATOM 0 HB3 SER A 96 16.041 -2.384 -7.177 1.00 0.00 H new ATOM 0 HG SER A 96 18.117 -1.497 -6.738 1.00 0.00 H new ATOM 1350 N GLY A 97 17.136 -3.055 -3.413 1.00 0.00 N ATOM 1351 CA GLY A 97 17.512 -2.204 -2.298 1.00 0.00 C ATOM 1352 C GLY A 97 16.273 -1.676 -1.571 1.00 0.00 C ATOM 1353 O GLY A 97 15.492 -2.453 -1.024 1.00 0.00 O ATOM 0 H GLY A 97 16.667 -3.921 -3.149 1.00 0.00 H new ATOM 0 HA2 GLY A 97 18.136 -2.765 -1.602 1.00 0.00 H new ATOM 0 HA3 GLY A 97 18.110 -1.368 -2.659 1.00 0.00 H new ATOM 1357 N ASN A 98 16.134 -0.358 -1.587 1.00 0.00 N ATOM 1358 CA ASN A 98 15.003 0.282 -0.936 1.00 0.00 C ATOM 1359 C ASN A 98 13.900 0.532 -1.967 1.00 0.00 C ATOM 1360 O ASN A 98 12.796 0.941 -1.612 1.00 0.00 O ATOM 1361 CB ASN A 98 15.406 1.632 -0.337 1.00 0.00 C ATOM 1362 CG ASN A 98 14.198 2.339 0.282 1.00 0.00 C ATOM 1363 OD1 ASN A 98 14.138 3.553 0.375 1.00 0.00 O ATOM 1364 ND2 ASN A 98 13.244 1.513 0.699 1.00 0.00 N ATOM 0 H ASN A 98 16.785 0.283 -2.040 1.00 0.00 H new ATOM 0 HA ASN A 98 14.654 -0.377 -0.141 1.00 0.00 H new ATOM 0 HB2 ASN A 98 16.173 1.482 0.423 1.00 0.00 H new ATOM 0 HB3 ASN A 98 15.843 2.262 -1.112 1.00 0.00 H new ATOM 0 HD21 ASN A 98 12.397 1.887 1.128 1.00 0.00 H new ATOM 0 HD22 ASN A 98 13.359 0.505 0.590 1.00 0.00 H new ATOM 1371 N ASN A 99 14.239 0.277 -3.222 1.00 0.00 N ATOM 1372 CA ASN A 99 13.291 0.469 -4.306 1.00 0.00 C ATOM 1373 C ASN A 99 12.092 -0.459 -4.100 1.00 0.00 C ATOM 1374 O ASN A 99 12.204 -1.484 -3.430 1.00 0.00 O ATOM 1375 CB ASN A 99 13.924 0.132 -5.657 1.00 0.00 C ATOM 1376 CG ASN A 99 14.098 -1.380 -5.819 1.00 0.00 C ATOM 1377 OD1 ASN A 99 13.992 -1.930 -6.903 1.00 0.00 O ATOM 1378 ND2 ASN A 99 14.371 -2.018 -4.684 1.00 0.00 N ATOM 0 H ASN A 99 15.157 -0.061 -3.512 1.00 0.00 H new ATOM 0 HA ASN A 99 12.983 1.514 -4.303 1.00 0.00 H new ATOM 0 HB2 ASN A 99 13.299 0.518 -6.462 1.00 0.00 H new ATOM 0 HB3 ASN A 99 14.893 0.624 -5.742 1.00 0.00 H new ATOM 0 HD21 ASN A 99 14.505 -3.029 -4.687 1.00 0.00 H new ATOM 0 HD22 ASN A 99 14.446 -1.496 -3.811 1.00 0.00 H new ATOM 1385 N PHE A 100 10.972 -0.065 -4.689 1.00 0.00 N ATOM 1386 CA PHE A 100 9.755 -0.849 -4.579 1.00 0.00 C ATOM 1387 C PHE A 100 9.385 -1.480 -5.924 1.00 0.00 C ATOM 1388 O PHE A 100 9.963 -1.138 -6.954 1.00 0.00 O ATOM 1389 CB PHE A 100 8.641 0.111 -4.157 1.00 0.00 C ATOM 1390 CG PHE A 100 8.594 0.387 -2.653 1.00 0.00 C ATOM 1391 CD1 PHE A 100 8.374 -0.634 -1.781 1.00 0.00 C ATOM 1392 CD2 PHE A 100 8.772 1.652 -2.187 1.00 0.00 C ATOM 1393 CE1 PHE A 100 8.331 -0.379 -0.385 1.00 0.00 C ATOM 1394 CE2 PHE A 100 8.728 1.908 -0.791 1.00 0.00 C ATOM 1395 CZ PHE A 100 8.509 0.887 0.081 1.00 0.00 C ATOM 0 H PHE A 100 10.883 0.787 -5.243 1.00 0.00 H new ATOM 0 HA PHE A 100 9.895 -1.653 -3.857 1.00 0.00 H new ATOM 0 HB2 PHE A 100 8.770 1.056 -4.685 1.00 0.00 H new ATOM 0 HB3 PHE A 100 7.682 -0.301 -4.470 1.00 0.00 H new ATOM 0 HD1 PHE A 100 8.232 -1.639 -2.151 1.00 0.00 H new ATOM 0 HD2 PHE A 100 8.947 2.462 -2.879 1.00 0.00 H new ATOM 0 HE1 PHE A 100 8.157 -1.190 0.307 1.00 0.00 H new ATOM 0 HE2 PHE A 100 8.868 2.913 -0.422 1.00 0.00 H new ATOM 0 HZ PHE A 100 8.476 1.081 1.143 1.00 0.00 H new ATOM 1405 N VAL A 101 8.424 -2.391 -5.869 1.00 0.00 N ATOM 1406 CA VAL A 101 7.970 -3.072 -7.070 1.00 0.00 C ATOM 1407 C VAL A 101 6.623 -3.743 -6.792 1.00 0.00 C ATOM 1408 O VAL A 101 6.485 -4.488 -5.822 1.00 0.00 O ATOM 1409 CB VAL A 101 9.040 -4.055 -7.549 1.00 0.00 C ATOM 1410 CG1 VAL A 101 10.312 -3.317 -7.973 1.00 0.00 C ATOM 1411 CG2 VAL A 101 9.345 -5.101 -6.475 1.00 0.00 C ATOM 0 H VAL A 101 7.948 -2.673 -5.012 1.00 0.00 H new ATOM 0 HA VAL A 101 7.817 -2.358 -7.880 1.00 0.00 H new ATOM 0 HB VAL A 101 8.648 -4.577 -8.422 1.00 0.00 H new ATOM 0 HG11 VAL A 101 11.056 -4.039 -8.309 1.00 0.00 H new ATOM 0 HG12 VAL A 101 10.080 -2.630 -8.786 1.00 0.00 H new ATOM 0 HG13 VAL A 101 10.707 -2.756 -7.126 1.00 0.00 H new ATOM 0 HG21 VAL A 101 10.109 -5.787 -6.842 1.00 0.00 H new ATOM 0 HG22 VAL A 101 9.706 -4.604 -5.575 1.00 0.00 H new ATOM 0 HG23 VAL A 101 8.438 -5.659 -6.242 1.00 0.00 H new ATOM 1421 N GLU A 102 5.665 -3.456 -7.660 1.00 0.00 N ATOM 1422 CA GLU A 102 4.334 -4.023 -7.521 1.00 0.00 C ATOM 1423 C GLU A 102 4.422 -5.532 -7.288 1.00 0.00 C ATOM 1424 O GLU A 102 5.118 -6.237 -8.017 1.00 0.00 O ATOM 1425 CB GLU A 102 3.472 -3.704 -8.743 1.00 0.00 C ATOM 1426 CG GLU A 102 4.341 -3.447 -9.976 1.00 0.00 C ATOM 1427 CD GLU A 102 3.594 -3.812 -11.260 1.00 0.00 C ATOM 1428 OE1 GLU A 102 3.058 -4.940 -11.304 1.00 0.00 O ATOM 1429 OE2 GLU A 102 3.576 -2.954 -12.169 1.00 0.00 O ATOM 0 H GLU A 102 5.783 -2.838 -8.463 1.00 0.00 H new ATOM 0 HA GLU A 102 3.855 -3.570 -6.653 1.00 0.00 H new ATOM 0 HB2 GLU A 102 2.792 -4.533 -8.939 1.00 0.00 H new ATOM 0 HB3 GLU A 102 2.856 -2.828 -8.539 1.00 0.00 H new ATOM 0 HG2 GLU A 102 4.633 -2.397 -10.007 1.00 0.00 H new ATOM 0 HG3 GLU A 102 5.259 -4.031 -9.907 1.00 0.00 H new ATOM 1436 N CYS A 103 3.704 -5.985 -6.271 1.00 0.00 N ATOM 1437 CA CYS A 103 3.691 -7.398 -5.933 1.00 0.00 C ATOM 1438 C CYS A 103 3.174 -8.177 -7.145 1.00 0.00 C ATOM 1439 O CYS A 103 3.195 -9.406 -7.152 1.00 0.00 O ATOM 1440 CB CYS A 103 2.860 -7.674 -4.679 1.00 0.00 C ATOM 1441 SG CYS A 103 3.680 -7.238 -3.103 1.00 0.00 S ATOM 0 H CYS A 103 3.126 -5.398 -5.669 1.00 0.00 H new ATOM 0 HA CYS A 103 4.703 -7.727 -5.696 1.00 0.00 H new ATOM 0 HB2 CYS A 103 1.924 -7.119 -4.751 1.00 0.00 H new ATOM 0 HB3 CYS A 103 2.602 -8.733 -4.657 1.00 0.00 H new ATOM 0 HG CYS A 103 3.066 -7.823 -2.118 1.00 0.00 H new ATOM 1446 N THR A 104 2.721 -7.428 -8.139 1.00 0.00 N ATOM 1447 CA THR A 104 2.199 -8.032 -9.352 1.00 0.00 C ATOM 1448 C THR A 104 0.736 -8.439 -9.159 1.00 0.00 C ATOM 1449 O THR A 104 -0.029 -7.728 -8.510 1.00 0.00 O ATOM 1450 CB THR A 104 3.110 -9.202 -9.729 1.00 0.00 C ATOM 1451 OG1 THR A 104 2.626 -10.287 -8.941 1.00 0.00 O ATOM 1452 CG2 THR A 104 4.547 -9.003 -9.245 1.00 0.00 C ATOM 0 H THR A 104 2.705 -6.408 -8.129 1.00 0.00 H new ATOM 0 HA THR A 104 2.200 -7.321 -10.179 1.00 0.00 H new ATOM 0 HB THR A 104 3.105 -9.332 -10.811 1.00 0.00 H new ATOM 0 HG1 THR A 104 2.887 -10.154 -8.006 1.00 0.00 H new ATOM 0 HG21 THR A 104 5.152 -9.861 -9.538 1.00 0.00 H new ATOM 0 HG22 THR A 104 4.960 -8.099 -9.692 1.00 0.00 H new ATOM 0 HG23 THR A 104 4.555 -8.907 -8.159 1.00 0.00 H new TER 1460 THR A 104