USER MOD reduce.3.24.130724 H: found=0, std=0, add=840, rem=0, adj=42 USER MOD reduce.3.24.130724 removed 841 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 94 SER OG : rot 87:sc= -0.218 USER MOD Set 1.2: A 98 HIS :FLIP no HE2:sc= -1.46 F(o=-3.2,f=-1.7) USER MOD Set 2.1: A 69 MET CE :methyl -130:sc= -8.86! (180deg=-18!) USER MOD Set 2.2: A 89 GLN :FLIP amide:sc= -2.51 F(o=-13,f=-11) USER MOD Set 3.1: A 60 TYR OH : rot 30:sc= 0 USER MOD Set 3.2: A 113 ASN :FLIP amide:sc= -6.98! C(o=-8.1!,f=-7!) USER MOD Single : A 8 SER OG : rot -6:sc= 1.11 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 TYR OH : rot -148:sc= 0.0876 USER MOD Single : A 12 THR OG1 : rot -84:sc= 0.149 USER MOD Single : A 15 SER OG : rot 180:sc= -0.0215 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 GLN : amide:sc= -0.609 X(o=-0.61,f=-0.2) USER MOD Single : A 27 ASN :FLIP amide:sc= -2.66! C(o=-3.8!,f=-2.7!) USER MOD Single : A 32 GLN : amide:sc= 0 X(o=0,f=-0.35) USER MOD Single : A 36 SER OG : rot 70:sc= -1.56 USER MOD Single : A 41 ASN : amide:sc= -0.0975 X(o=-0.098,f=0) USER MOD Single : A 47 THR OG1 : rot 48:sc= 0.281 USER MOD Single : A 50 TYR OH : rot 30:sc= -1.1 USER MOD Single : A 53 ASN : amide:sc= -5.3! C(o=-5.3!,f=-7.4!) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 86:sc= 0.989 USER MOD Single : A 58 SER OG : rot 44:sc= -0.782! USER MOD Single : A 61 SER OG : rot 180:sc= -0.177 USER MOD Single : A 62 SER OG : rot 16:sc= -3.34! USER MOD Single : A 63 LYS NZ :NH3+ -117:sc= -0.22 (180deg=-0.602) USER MOD Single : A 65 ASN :FLIP amide:sc= -2.52 F(o=-5.9!,f=-2.5) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0.021 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 76 TYR OH : rot -138:sc= 0.648 USER MOD Single : A 82 THR OG1 : rot 180:sc=-0.00093 USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 LYS NZ :NH3+ -147:sc= -2.7 (180deg=-8.11!) USER MOD Single : A 92 THR OG1 : rot 44:sc= 0.0241 USER MOD Single : A 97 ASN :FLIP amide:sc= -0.0826 F(o=-0.63,f=-0.083) USER MOD Single : A 99 SER OG : rot 180:sc= -1.55 USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 111 TYR OH : rot 180:sc= 0 USER MOD Single : A 112 MET CE :methyl -165:sc= -0.775 (180deg=-1.01) USER MOD Single : A 115 HIS : no HD1:sc= -0.391 X(o=-0.39,f=-0.032) USER MOD Single : A 116 SER OG : rot 180:sc= 0 USER MOD Single : A 118 LYS NZ :NH3+ 164:sc= -2.12 (180deg=-2.89!) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 8 2.336 -12.579 -1.988 1.00 0.00 N ATOM 2 CA SER A 8 2.779 -11.280 -2.481 1.00 0.00 C ATOM 3 C SER A 8 1.805 -10.756 -3.528 1.00 0.00 C ATOM 4 O SER A 8 1.757 -11.259 -4.651 1.00 0.00 O ATOM 5 CB SER A 8 4.184 -11.386 -3.078 1.00 0.00 C ATOM 6 OG SER A 8 4.145 -11.937 -4.383 1.00 0.00 O ATOM 0 HA SER A 8 2.807 -10.583 -1.644 1.00 0.00 H new ATOM 0 HB2 SER A 8 4.644 -10.398 -3.111 1.00 0.00 H new ATOM 0 HB3 SER A 8 4.809 -12.007 -2.436 1.00 0.00 H new ATOM 0 HG SER A 8 3.230 -12.218 -4.592 1.00 0.00 H new ATOM 12 N TRP A 9 1.017 -9.755 -3.149 1.00 0.00 N ATOM 13 CA TRP A 9 0.032 -9.183 -4.058 1.00 0.00 C ATOM 14 C TRP A 9 -0.037 -7.666 -3.927 1.00 0.00 C ATOM 15 O TRP A 9 -0.035 -7.126 -2.820 1.00 0.00 O ATOM 16 CB TRP A 9 -1.346 -9.792 -3.787 1.00 0.00 C ATOM 17 CG TRP A 9 -1.835 -9.567 -2.387 1.00 0.00 C ATOM 18 CD1 TRP A 9 -2.872 -8.769 -1.999 1.00 0.00 C ATOM 19 CD2 TRP A 9 -1.308 -10.149 -1.187 1.00 0.00 C ATOM 20 NE1 TRP A 9 -3.022 -8.817 -0.634 1.00 0.00 N ATOM 21 CE2 TRP A 9 -2.074 -9.658 -0.113 1.00 0.00 C ATOM 22 CE3 TRP A 9 -0.264 -11.038 -0.917 1.00 0.00 C ATOM 23 CZ2 TRP A 9 -1.825 -10.027 1.208 1.00 0.00 C ATOM 24 CZ3 TRP A 9 -0.020 -11.402 0.393 1.00 0.00 C ATOM 25 CH2 TRP A 9 -0.795 -10.899 1.440 1.00 0.00 C ATOM 0 H TRP A 9 1.041 -9.326 -2.224 1.00 0.00 H new ATOM 0 HA TRP A 9 0.342 -9.418 -5.076 1.00 0.00 H new ATOM 0 HB2 TRP A 9 -2.066 -9.368 -4.487 1.00 0.00 H new ATOM 0 HB3 TRP A 9 -1.305 -10.864 -3.981 1.00 0.00 H new ATOM 0 HD1 TRP A 9 -3.486 -8.184 -2.668 1.00 0.00 H new ATOM 0 HE1 TRP A 9 -3.725 -8.309 -0.096 1.00 0.00 H new ATOM 0 HE3 TRP A 9 0.342 -11.434 -1.719 1.00 0.00 H new ATOM 0 HZ2 TRP A 9 -2.423 -9.639 2.019 1.00 0.00 H new ATOM 0 HZ3 TRP A 9 0.785 -12.088 0.611 1.00 0.00 H new ATOM 0 HH2 TRP A 9 -0.578 -11.204 2.453 1.00 0.00 H new ATOM 36 N THR A 10 -0.113 -6.986 -5.066 1.00 0.00 N ATOM 37 CA THR A 10 -0.202 -5.532 -5.086 1.00 0.00 C ATOM 38 C THR A 10 -1.540 -5.089 -5.658 1.00 0.00 C ATOM 39 O THR A 10 -2.198 -5.838 -6.380 1.00 0.00 O ATOM 40 CB THR A 10 0.936 -4.921 -5.911 1.00 0.00 C ATOM 41 OG1 THR A 10 1.797 -5.930 -6.410 1.00 0.00 O ATOM 42 CG2 THR A 10 1.781 -3.942 -5.126 1.00 0.00 C ATOM 0 H THR A 10 -0.115 -7.420 -5.989 1.00 0.00 H new ATOM 0 HA THR A 10 -0.115 -5.180 -4.058 1.00 0.00 H new ATOM 0 HB THR A 10 0.447 -4.386 -6.725 1.00 0.00 H new ATOM 0 HG1 THR A 10 2.515 -5.518 -6.935 1.00 0.00 H new ATOM 0 HG21 THR A 10 2.568 -3.546 -5.767 1.00 0.00 H new ATOM 0 HG22 THR A 10 1.155 -3.123 -4.772 1.00 0.00 H new ATOM 0 HG23 THR A 10 2.229 -4.451 -4.273 1.00 0.00 H new ATOM 50 N TYR A 11 -1.930 -3.867 -5.341 1.00 0.00 N ATOM 51 CA TYR A 11 -3.185 -3.318 -5.829 1.00 0.00 C ATOM 52 C TYR A 11 -2.983 -1.886 -6.308 1.00 0.00 C ATOM 53 O TYR A 11 -2.906 -0.959 -5.502 1.00 0.00 O ATOM 54 CB TYR A 11 -4.266 -3.363 -4.740 1.00 0.00 C ATOM 55 CG TYR A 11 -3.827 -4.013 -3.444 1.00 0.00 C ATOM 56 CD1 TYR A 11 -2.916 -3.386 -2.604 1.00 0.00 C ATOM 57 CD2 TYR A 11 -4.332 -5.248 -3.058 1.00 0.00 C ATOM 58 CE1 TYR A 11 -2.517 -3.972 -1.418 1.00 0.00 C ATOM 59 CE2 TYR A 11 -3.940 -5.840 -1.872 1.00 0.00 C ATOM 60 CZ TYR A 11 -3.032 -5.198 -1.057 1.00 0.00 C ATOM 61 OH TYR A 11 -2.640 -5.784 0.125 1.00 0.00 O ATOM 0 H TYR A 11 -1.395 -3.234 -4.746 1.00 0.00 H new ATOM 0 HA TYR A 11 -3.519 -3.930 -6.667 1.00 0.00 H new ATOM 0 HB2 TYR A 11 -4.593 -2.345 -4.528 1.00 0.00 H new ATOM 0 HB3 TYR A 11 -5.131 -3.902 -5.127 1.00 0.00 H new ATOM 0 HD1 TYR A 11 -2.512 -2.424 -2.883 1.00 0.00 H new ATOM 0 HD2 TYR A 11 -5.042 -5.754 -3.695 1.00 0.00 H new ATOM 0 HE1 TYR A 11 -1.806 -3.472 -0.778 1.00 0.00 H new ATOM 0 HE2 TYR A 11 -4.343 -6.800 -1.585 1.00 0.00 H new ATOM 0 HH TYR A 11 -2.639 -6.759 0.022 1.00 0.00 H new ATOM 71 N THR A 12 -2.887 -1.712 -7.621 1.00 0.00 N ATOM 72 CA THR A 12 -2.683 -0.389 -8.201 1.00 0.00 C ATOM 73 C THR A 12 -3.820 0.554 -7.813 1.00 0.00 C ATOM 74 O THR A 12 -4.911 0.113 -7.453 1.00 0.00 O ATOM 75 CB THR A 12 -2.571 -0.481 -9.726 1.00 0.00 C ATOM 76 OG1 THR A 12 -2.978 -1.760 -10.186 1.00 0.00 O ATOM 77 CG2 THR A 12 -1.168 -0.231 -10.238 1.00 0.00 C ATOM 0 H THR A 12 -2.947 -2.468 -8.303 1.00 0.00 H new ATOM 0 HA THR A 12 -1.750 0.013 -7.806 1.00 0.00 H new ATOM 0 HB THR A 12 -3.226 0.301 -10.111 1.00 0.00 H new ATOM 0 HG1 THR A 12 -2.226 -2.385 -10.121 1.00 0.00 H new ATOM 0 HG21 THR A 12 -1.158 -0.311 -11.325 1.00 0.00 H new ATOM 0 HG22 THR A 12 -0.846 0.768 -9.945 1.00 0.00 H new ATOM 0 HG23 THR A 12 -0.489 -0.970 -9.813 1.00 0.00 H new ATOM 85 N ALA A 13 -3.552 1.855 -7.878 1.00 0.00 N ATOM 86 CA ALA A 13 -4.546 2.863 -7.521 1.00 0.00 C ATOM 87 C ALA A 13 -5.710 2.892 -8.508 1.00 0.00 C ATOM 88 O ALA A 13 -6.769 3.442 -8.210 1.00 0.00 O ATOM 89 CB ALA A 13 -3.896 4.236 -7.438 1.00 0.00 C ATOM 0 H ALA A 13 -2.654 2.237 -8.175 1.00 0.00 H new ATOM 0 HA ALA A 13 -4.949 2.593 -6.545 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -4.648 4.979 -7.171 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -3.113 4.223 -6.679 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -3.461 4.491 -8.404 1.00 0.00 H new ATOM 95 N ALA A 14 -5.514 2.298 -9.682 1.00 0.00 N ATOM 96 CA ALA A 14 -6.560 2.267 -10.697 1.00 0.00 C ATOM 97 C ALA A 14 -7.710 1.355 -10.277 1.00 0.00 C ATOM 98 O ALA A 14 -8.798 1.410 -10.850 1.00 0.00 O ATOM 99 CB ALA A 14 -5.987 1.824 -12.034 1.00 0.00 C ATOM 0 H ALA A 14 -4.646 1.835 -9.952 1.00 0.00 H new ATOM 0 HA ALA A 14 -6.957 3.277 -10.804 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -6.780 1.806 -12.782 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -5.210 2.522 -12.346 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -5.560 0.826 -11.934 1.00 0.00 H new ATOM 105 N SER A 15 -7.466 0.519 -9.271 1.00 0.00 N ATOM 106 CA SER A 15 -8.486 -0.399 -8.773 1.00 0.00 C ATOM 107 C SER A 15 -8.943 -0.005 -7.368 1.00 0.00 C ATOM 108 O SER A 15 -9.939 -0.523 -6.863 1.00 0.00 O ATOM 109 CB SER A 15 -7.950 -1.831 -8.764 1.00 0.00 C ATOM 110 OG SER A 15 -6.656 -1.889 -8.188 1.00 0.00 O ATOM 0 H SER A 15 -6.571 0.459 -8.785 1.00 0.00 H new ATOM 0 HA SER A 15 -9.345 -0.342 -9.441 1.00 0.00 H new ATOM 0 HB2 SER A 15 -8.630 -2.473 -8.204 1.00 0.00 H new ATOM 0 HB3 SER A 15 -7.915 -2.216 -9.783 1.00 0.00 H new ATOM 0 HG SER A 15 -6.337 -2.816 -8.193 1.00 0.00 H new ATOM 116 N ALA A 16 -8.207 0.909 -6.738 1.00 0.00 N ATOM 117 CA ALA A 16 -8.537 1.365 -5.394 1.00 0.00 C ATOM 118 C ALA A 16 -9.657 2.399 -5.419 1.00 0.00 C ATOM 119 O ALA A 16 -10.335 2.572 -6.432 1.00 0.00 O ATOM 120 CB ALA A 16 -7.302 1.941 -4.717 1.00 0.00 C ATOM 0 H ALA A 16 -7.378 1.347 -7.139 1.00 0.00 H new ATOM 0 HA ALA A 16 -8.888 0.505 -4.823 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -7.561 2.278 -3.713 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -6.530 1.174 -4.654 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -6.928 2.784 -5.298 1.00 0.00 H new ATOM 126 N SER A 17 -9.842 3.087 -4.298 1.00 0.00 N ATOM 127 CA SER A 17 -10.874 4.107 -4.187 1.00 0.00 C ATOM 128 C SER A 17 -10.256 5.497 -4.071 1.00 0.00 C ATOM 129 O SER A 17 -9.752 5.877 -3.011 1.00 0.00 O ATOM 130 CB SER A 17 -11.766 3.830 -2.975 1.00 0.00 C ATOM 131 OG SER A 17 -12.156 2.468 -2.928 1.00 0.00 O ATOM 0 H SER A 17 -9.288 2.955 -3.452 1.00 0.00 H new ATOM 0 HA SER A 17 -11.481 4.074 -5.092 1.00 0.00 H new ATOM 0 HB2 SER A 17 -11.233 4.090 -2.061 1.00 0.00 H new ATOM 0 HB3 SER A 17 -12.652 4.464 -3.019 1.00 0.00 H new ATOM 0 HG SER A 17 -12.724 2.317 -2.144 1.00 0.00 H new ATOM 137 N ILE A 18 -10.304 6.249 -5.169 1.00 0.00 N ATOM 138 CA ILE A 18 -9.756 7.601 -5.201 1.00 0.00 C ATOM 139 C ILE A 18 -10.766 8.599 -4.630 1.00 0.00 C ATOM 140 O ILE A 18 -11.652 9.076 -5.340 1.00 0.00 O ATOM 141 CB ILE A 18 -9.370 8.018 -6.643 1.00 0.00 C ATOM 142 CG1 ILE A 18 -8.221 7.149 -7.171 1.00 0.00 C ATOM 143 CG2 ILE A 18 -8.982 9.487 -6.692 1.00 0.00 C ATOM 144 CD1 ILE A 18 -7.048 7.056 -6.222 1.00 0.00 C ATOM 0 H ILE A 18 -10.718 5.943 -6.049 1.00 0.00 H new ATOM 0 HA ILE A 18 -8.855 7.607 -4.588 1.00 0.00 H new ATOM 0 HB ILE A 18 -10.240 7.867 -7.282 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -8.597 6.146 -7.370 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -7.877 7.555 -8.122 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -8.715 9.759 -7.713 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -9.823 10.097 -6.363 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -8.129 9.660 -6.035 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -6.274 6.426 -6.661 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -6.646 8.053 -6.042 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -7.377 6.622 -5.278 1.00 0.00 H new ATOM 156 N THR A 19 -10.628 8.902 -3.341 1.00 0.00 N ATOM 157 CA THR A 19 -11.532 9.833 -2.669 1.00 0.00 C ATOM 158 C THR A 19 -11.019 11.269 -2.754 1.00 0.00 C ATOM 159 O THR A 19 -9.980 11.599 -2.183 1.00 0.00 O ATOM 160 CB THR A 19 -11.703 9.432 -1.202 1.00 0.00 C ATOM 161 OG1 THR A 19 -12.165 8.097 -1.097 1.00 0.00 O ATOM 162 CG2 THR A 19 -12.676 10.315 -0.450 1.00 0.00 C ATOM 0 H THR A 19 -9.899 8.516 -2.741 1.00 0.00 H new ATOM 0 HA THR A 19 -12.496 9.786 -3.176 1.00 0.00 H new ATOM 0 HB THR A 19 -10.715 9.544 -0.755 1.00 0.00 H new ATOM 0 HG1 THR A 19 -12.266 7.859 -0.152 1.00 0.00 H new ATOM 0 HG21 THR A 19 -12.751 9.976 0.583 1.00 0.00 H new ATOM 0 HG22 THR A 19 -12.322 11.346 -0.469 1.00 0.00 H new ATOM 0 HG23 THR A 19 -13.657 10.260 -0.922 1.00 0.00 H new ATOM 170 N ALA A 20 -11.760 12.122 -3.463 1.00 0.00 N ATOM 171 CA ALA A 20 -11.383 13.528 -3.616 1.00 0.00 C ATOM 172 C ALA A 20 -10.955 14.129 -2.272 1.00 0.00 C ATOM 173 O ALA A 20 -11.462 13.724 -1.225 1.00 0.00 O ATOM 174 CB ALA A 20 -12.540 14.321 -4.203 1.00 0.00 C ATOM 0 H ALA A 20 -12.624 11.864 -3.940 1.00 0.00 H new ATOM 0 HA ALA A 20 -10.535 13.582 -4.299 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -12.247 15.365 -4.312 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -12.802 13.914 -5.180 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -13.402 14.253 -3.539 1.00 0.00 H new ATOM 180 N PRO A 21 -10.007 15.091 -2.266 1.00 0.00 N ATOM 181 CA PRO A 21 -9.355 15.623 -3.478 1.00 0.00 C ATOM 182 C PRO A 21 -8.488 14.604 -4.216 1.00 0.00 C ATOM 183 O PRO A 21 -7.804 14.955 -5.179 1.00 0.00 O ATOM 184 CB PRO A 21 -8.474 16.754 -2.938 1.00 0.00 C ATOM 185 CG PRO A 21 -8.224 16.384 -1.519 1.00 0.00 C ATOM 186 CD PRO A 21 -9.503 15.754 -1.051 1.00 0.00 C ATOM 0 HA PRO A 21 -10.100 15.930 -4.212 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -7.542 16.833 -3.498 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -8.975 17.719 -3.015 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -7.388 15.690 -1.433 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -7.974 17.260 -0.921 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -9.331 15.042 -0.244 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -10.206 16.498 -0.675 1.00 0.00 H new ATOM 194 N ALA A 22 -8.515 13.347 -3.783 1.00 0.00 N ATOM 195 CA ALA A 22 -7.726 12.318 -4.436 1.00 0.00 C ATOM 196 C ALA A 22 -8.114 12.192 -5.904 1.00 0.00 C ATOM 197 O ALA A 22 -9.291 12.237 -6.259 1.00 0.00 O ATOM 198 CB ALA A 22 -7.888 10.981 -3.735 1.00 0.00 C ATOM 0 H ALA A 22 -9.070 13.023 -2.991 1.00 0.00 H new ATOM 0 HA ALA A 22 -6.678 12.613 -4.376 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -7.287 10.228 -4.244 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -7.558 11.070 -2.700 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -8.936 10.683 -3.757 1.00 0.00 H new ATOM 204 N GLN A 23 -7.106 12.033 -6.744 1.00 0.00 N ATOM 205 CA GLN A 23 -7.303 11.895 -8.184 1.00 0.00 C ATOM 206 C GLN A 23 -6.397 10.800 -8.739 1.00 0.00 C ATOM 207 O GLN A 23 -5.304 10.573 -8.229 1.00 0.00 O ATOM 208 CB GLN A 23 -7.032 13.223 -8.898 1.00 0.00 C ATOM 209 CG GLN A 23 -7.367 13.196 -10.381 1.00 0.00 C ATOM 210 CD GLN A 23 -8.770 12.691 -10.656 1.00 0.00 C ATOM 211 OE1 GLN A 23 -9.733 13.122 -10.021 1.00 0.00 O ATOM 212 NE2 GLN A 23 -8.892 11.772 -11.607 1.00 0.00 N ATOM 0 H GLN A 23 -6.129 11.995 -6.452 1.00 0.00 H new ATOM 0 HA GLN A 23 -8.341 11.616 -8.363 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -7.613 14.010 -8.417 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -5.981 13.484 -8.776 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -7.260 14.200 -10.792 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -6.649 12.561 -10.900 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -8.066 11.444 -12.108 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -9.811 11.395 -11.837 1.00 0.00 H new ATOM 221 N LEU A 24 -6.860 10.111 -9.770 1.00 0.00 N ATOM 222 CA LEU A 24 -6.084 9.030 -10.364 1.00 0.00 C ATOM 223 C LEU A 24 -5.243 9.527 -11.535 1.00 0.00 C ATOM 224 O LEU A 24 -5.690 9.532 -12.682 1.00 0.00 O ATOM 225 CB LEU A 24 -7.019 7.900 -10.813 1.00 0.00 C ATOM 226 CG LEU A 24 -6.500 6.471 -10.600 1.00 0.00 C ATOM 227 CD1 LEU A 24 -5.666 6.029 -11.789 1.00 0.00 C ATOM 228 CD2 LEU A 24 -5.696 6.360 -9.313 1.00 0.00 C ATOM 0 H LEU A 24 -7.764 10.278 -10.212 1.00 0.00 H new ATOM 0 HA LEU A 24 -5.400 8.646 -9.607 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -7.964 8.005 -10.281 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -7.234 8.033 -11.873 1.00 0.00 H new ATOM 0 HG LEU A 24 -7.362 5.810 -10.511 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -5.305 5.014 -11.623 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -6.277 6.054 -12.691 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -4.816 6.701 -11.907 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -5.343 5.336 -9.192 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -4.842 7.035 -9.358 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -6.327 6.629 -8.466 1.00 0.00 H new ATOM 240 N VAL A 25 -4.018 9.940 -11.227 1.00 0.00 N ATOM 241 CA VAL A 25 -3.092 10.435 -12.240 1.00 0.00 C ATOM 242 C VAL A 25 -2.175 9.320 -12.745 1.00 0.00 C ATOM 243 O VAL A 25 -1.192 8.965 -12.097 1.00 0.00 O ATOM 244 CB VAL A 25 -2.231 11.608 -11.704 1.00 0.00 C ATOM 245 CG1 VAL A 25 -1.331 11.167 -10.554 1.00 0.00 C ATOM 246 CG2 VAL A 25 -1.405 12.215 -12.826 1.00 0.00 C ATOM 0 H VAL A 25 -3.642 9.942 -10.279 1.00 0.00 H new ATOM 0 HA VAL A 25 -3.699 10.799 -13.069 1.00 0.00 H new ATOM 0 HB VAL A 25 -2.910 12.367 -11.316 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -0.743 12.016 -10.206 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -1.945 10.790 -9.736 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -0.661 10.379 -10.898 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -0.806 13.037 -12.433 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -0.746 11.454 -13.245 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -2.069 12.590 -13.605 1.00 0.00 H new ATOM 256 N GLY A 26 -2.510 8.762 -13.905 1.00 0.00 N ATOM 257 CA GLY A 26 -1.709 7.693 -14.471 1.00 0.00 C ATOM 258 C GLY A 26 -1.622 6.503 -13.546 1.00 0.00 C ATOM 259 O GLY A 26 -0.549 6.177 -13.041 1.00 0.00 O ATOM 0 H GLY A 26 -3.321 9.031 -14.462 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -2.140 7.382 -15.423 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -0.706 8.064 -14.681 1.00 0.00 H new ATOM 263 N ASN A 27 -2.762 5.865 -13.310 1.00 0.00 N ATOM 264 CA ASN A 27 -2.834 4.711 -12.425 1.00 0.00 C ATOM 265 C ASN A 27 -2.196 5.019 -11.071 1.00 0.00 C ATOM 266 O ASN A 27 -1.745 4.116 -10.366 1.00 0.00 O ATOM 267 CB ASN A 27 -2.171 3.485 -13.072 1.00 0.00 C ATOM 268 CG ASN A 27 -0.655 3.518 -13.000 1.00 0.00 C ATOM 269 OD1 ASN A 27 -0.018 3.874 -14.109 1.00 0.00 O flip ATOM 270 ND2 ASN A 27 -0.065 3.225 -11.961 1.00 0.00 N flip ATOM 0 H ASN A 27 -3.656 6.131 -13.724 1.00 0.00 H new ATOM 0 HA ASN A 27 -3.886 4.481 -12.258 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -2.532 2.582 -12.579 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -2.478 3.423 -14.116 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -0.595 2.957 -11.132 1.00 0.00 H new ATOM 0 HD22 ASN A 27 0.954 3.250 -11.929 1.00 0.00 H new ATOM 277 N VAL A 28 -2.159 6.302 -10.715 1.00 0.00 N ATOM 278 CA VAL A 28 -1.576 6.731 -9.450 1.00 0.00 C ATOM 279 C VAL A 28 -2.462 7.765 -8.761 1.00 0.00 C ATOM 280 O VAL A 28 -2.778 8.796 -9.338 1.00 0.00 O ATOM 281 CB VAL A 28 -0.175 7.340 -9.659 1.00 0.00 C ATOM 282 CG1 VAL A 28 0.507 7.583 -8.322 1.00 0.00 C ATOM 283 CG2 VAL A 28 0.679 6.446 -10.548 1.00 0.00 C ATOM 0 H VAL A 28 -2.527 7.062 -11.287 1.00 0.00 H new ATOM 0 HA VAL A 28 -1.494 5.844 -8.821 1.00 0.00 H new ATOM 0 HB VAL A 28 -0.293 8.300 -10.162 1.00 0.00 H new ATOM 0 HG11 VAL A 28 1.494 8.013 -8.490 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -0.093 8.272 -7.728 1.00 0.00 H new ATOM 0 HG13 VAL A 28 0.609 6.638 -7.788 1.00 0.00 H new ATOM 0 HG21 VAL A 28 1.662 6.897 -10.680 1.00 0.00 H new ATOM 0 HG22 VAL A 28 0.789 5.467 -10.081 1.00 0.00 H new ATOM 0 HG23 VAL A 28 0.198 6.333 -11.520 1.00 0.00 H new ATOM 293 N GLY A 29 -2.859 7.488 -7.523 1.00 0.00 N ATOM 294 CA GLY A 29 -3.704 8.414 -6.787 1.00 0.00 C ATOM 295 C GLY A 29 -3.158 9.832 -6.780 1.00 0.00 C ATOM 296 O GLY A 29 -2.081 10.090 -7.315 1.00 0.00 O ATOM 0 H GLY A 29 -2.611 6.639 -7.015 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -4.702 8.416 -7.226 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -3.809 8.065 -5.760 1.00 0.00 H new ATOM 300 N GLU A 30 -3.910 10.749 -6.175 1.00 0.00 N ATOM 301 CA GLU A 30 -3.508 12.152 -6.099 1.00 0.00 C ATOM 302 C GLU A 30 -4.215 12.854 -4.950 1.00 0.00 C ATOM 303 O GLU A 30 -5.182 13.585 -5.165 1.00 0.00 O ATOM 304 CB GLU A 30 -3.841 12.879 -7.402 1.00 0.00 C ATOM 305 CG GLU A 30 -2.895 12.564 -8.542 1.00 0.00 C ATOM 306 CD GLU A 30 -2.505 13.799 -9.332 1.00 0.00 C ATOM 307 OE1 GLU A 30 -3.350 14.300 -10.104 1.00 0.00 O ATOM 308 OE2 GLU A 30 -1.357 14.263 -9.180 1.00 0.00 O ATOM 0 H GLU A 30 -4.804 10.545 -5.729 1.00 0.00 H new ATOM 0 HA GLU A 30 -2.431 12.178 -5.932 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -4.856 12.618 -7.703 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -3.829 13.954 -7.220 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -1.996 12.092 -8.144 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -3.364 11.842 -9.211 1.00 0.00 H new ATOM 315 N LEU A 31 -3.735 12.640 -3.734 1.00 0.00 N ATOM 316 CA LEU A 31 -4.343 13.265 -2.570 1.00 0.00 C ATOM 317 C LEU A 31 -3.901 14.715 -2.445 1.00 0.00 C ATOM 318 O LEU A 31 -2.871 15.109 -2.991 1.00 0.00 O ATOM 319 CB LEU A 31 -3.973 12.512 -1.294 1.00 0.00 C ATOM 320 CG LEU A 31 -4.170 10.995 -1.352 1.00 0.00 C ATOM 321 CD1 LEU A 31 -2.934 10.267 -0.839 1.00 0.00 C ATOM 322 CD2 LEU A 31 -5.397 10.594 -0.551 1.00 0.00 C ATOM 0 H LEU A 31 -2.933 12.044 -3.529 1.00 0.00 H new ATOM 0 HA LEU A 31 -5.424 13.230 -2.703 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -2.929 12.718 -1.060 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -4.568 12.908 -0.472 1.00 0.00 H new ATOM 0 HG LEU A 31 -4.323 10.708 -2.392 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -3.098 9.191 -0.890 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -2.074 10.532 -1.454 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -2.744 10.556 0.195 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -5.526 9.513 -0.600 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -5.268 10.897 0.488 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -6.278 11.084 -0.965 1.00 0.00 H new ATOM 334 N GLN A 32 -4.689 15.502 -1.721 1.00 0.00 N ATOM 335 CA GLN A 32 -4.385 16.911 -1.513 1.00 0.00 C ATOM 336 C GLN A 32 -4.684 17.306 -0.062 1.00 0.00 C ATOM 337 O GLN A 32 -4.123 16.720 0.865 1.00 0.00 O ATOM 338 CB GLN A 32 -5.180 17.771 -2.501 1.00 0.00 C ATOM 339 CG GLN A 32 -4.976 17.370 -3.954 1.00 0.00 C ATOM 340 CD GLN A 32 -5.166 18.529 -4.912 1.00 0.00 C ATOM 341 OE1 GLN A 32 -5.907 19.471 -4.628 1.00 0.00 O ATOM 342 NE2 GLN A 32 -4.494 18.466 -6.056 1.00 0.00 N ATOM 0 H GLN A 32 -5.546 15.186 -1.267 1.00 0.00 H new ATOM 0 HA GLN A 32 -3.324 17.082 -1.696 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -6.241 17.702 -2.259 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -4.891 18.815 -2.376 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -3.972 16.963 -4.077 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -5.676 16.574 -4.209 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -3.891 17.666 -6.250 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -4.581 19.217 -6.741 1.00 0.00 H new ATOM 351 N GLY A 33 -5.570 18.281 0.144 1.00 0.00 N ATOM 352 CA GLY A 33 -5.906 18.691 1.494 1.00 0.00 C ATOM 353 C GLY A 33 -6.574 17.573 2.272 1.00 0.00 C ATOM 354 O GLY A 33 -6.610 16.431 1.815 1.00 0.00 O ATOM 0 H GLY A 33 -6.056 18.789 -0.595 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -5.001 19.006 2.014 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -6.569 19.555 1.457 1.00 0.00 H new ATOM 358 N ALA A 34 -7.106 17.894 3.445 1.00 0.00 N ATOM 359 CA ALA A 34 -7.773 16.896 4.272 1.00 0.00 C ATOM 360 C ALA A 34 -9.034 16.377 3.589 1.00 0.00 C ATOM 361 O ALA A 34 -9.677 17.095 2.823 1.00 0.00 O ATOM 362 CB ALA A 34 -8.109 17.475 5.638 1.00 0.00 C ATOM 0 H ALA A 34 -7.089 18.833 3.844 1.00 0.00 H new ATOM 0 HA ALA A 34 -7.090 16.057 4.408 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -8.606 16.716 6.242 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -7.192 17.791 6.135 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -8.770 18.333 5.517 1.00 0.00 H new ATOM 368 N GLY A 35 -9.382 15.126 3.871 1.00 0.00 N ATOM 369 CA GLY A 35 -10.566 14.532 3.278 1.00 0.00 C ATOM 370 C GLY A 35 -10.238 13.520 2.195 1.00 0.00 C ATOM 371 O GLY A 35 -11.005 12.586 1.960 1.00 0.00 O ATOM 0 H GLY A 35 -8.865 14.512 4.500 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -11.152 14.046 4.058 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -11.189 15.320 2.856 1.00 0.00 H new ATOM 375 N SER A 36 -9.097 13.701 1.536 1.00 0.00 N ATOM 376 CA SER A 36 -8.678 12.789 0.476 1.00 0.00 C ATOM 377 C SER A 36 -8.274 11.443 1.061 1.00 0.00 C ATOM 378 O SER A 36 -7.850 11.363 2.215 1.00 0.00 O ATOM 379 CB SER A 36 -7.515 13.387 -0.319 1.00 0.00 C ATOM 380 OG SER A 36 -6.893 14.439 0.397 1.00 0.00 O ATOM 0 H SER A 36 -8.448 14.467 1.716 1.00 0.00 H new ATOM 0 HA SER A 36 -9.521 12.639 -0.199 1.00 0.00 H new ATOM 0 HB2 SER A 36 -6.783 12.610 -0.538 1.00 0.00 H new ATOM 0 HB3 SER A 36 -7.879 13.760 -1.276 1.00 0.00 H new ATOM 0 HG SER A 36 -6.411 14.071 1.167 1.00 0.00 H new ATOM 386 N ALA A 37 -8.413 10.382 0.272 1.00 0.00 N ATOM 387 CA ALA A 37 -8.062 9.052 0.747 1.00 0.00 C ATOM 388 C ALA A 37 -8.059 8.015 -0.371 1.00 0.00 C ATOM 389 O ALA A 37 -8.994 7.933 -1.167 1.00 0.00 O ATOM 390 CB ALA A 37 -9.022 8.627 1.846 1.00 0.00 C ATOM 0 H ALA A 37 -8.761 10.417 -0.686 1.00 0.00 H new ATOM 0 HA ALA A 37 -7.046 9.105 1.139 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -8.754 7.631 2.198 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -8.962 9.333 2.675 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -10.039 8.613 1.455 1.00 0.00 H new ATOM 396 N VAL A 38 -7.009 7.203 -0.390 1.00 0.00 N ATOM 397 CA VAL A 38 -6.871 6.129 -1.368 1.00 0.00 C ATOM 398 C VAL A 38 -6.956 4.796 -0.643 1.00 0.00 C ATOM 399 O VAL A 38 -5.944 4.266 -0.189 1.00 0.00 O ATOM 400 CB VAL A 38 -5.526 6.194 -2.125 1.00 0.00 C ATOM 401 CG1 VAL A 38 -5.698 6.852 -3.478 1.00 0.00 C ATOM 402 CG2 VAL A 38 -4.474 6.926 -1.316 1.00 0.00 C ATOM 0 H VAL A 38 -6.233 7.269 0.268 1.00 0.00 H new ATOM 0 HA VAL A 38 -7.672 6.239 -2.099 1.00 0.00 H new ATOM 0 HB VAL A 38 -5.186 5.170 -2.278 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -4.737 6.886 -3.991 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -6.408 6.278 -4.074 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -6.073 7.866 -3.344 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -3.539 6.955 -1.876 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -4.810 7.944 -1.118 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -4.315 6.407 -0.371 1.00 0.00 H new ATOM 412 N ILE A 39 -8.166 4.271 -0.509 1.00 0.00 N ATOM 413 CA ILE A 39 -8.362 3.015 0.202 1.00 0.00 C ATOM 414 C ILE A 39 -8.484 1.830 -0.746 1.00 0.00 C ATOM 415 O ILE A 39 -8.916 1.969 -1.890 1.00 0.00 O ATOM 416 CB ILE A 39 -9.598 3.083 1.117 1.00 0.00 C ATOM 417 CG1 ILE A 39 -9.458 4.265 2.077 1.00 0.00 C ATOM 418 CG2 ILE A 39 -9.770 1.780 1.887 1.00 0.00 C ATOM 419 CD1 ILE A 39 -8.329 4.112 3.078 1.00 0.00 C ATOM 0 H ILE A 39 -9.019 4.690 -0.879 1.00 0.00 H new ATOM 0 HA ILE A 39 -7.474 2.863 0.815 1.00 0.00 H new ATOM 0 HB ILE A 39 -10.488 3.227 0.504 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -9.296 5.174 1.498 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -10.395 4.394 2.618 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -10.649 1.849 2.528 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -9.897 0.956 1.185 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -8.887 1.601 2.501 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -8.294 4.990 3.723 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -8.498 3.222 3.684 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -7.382 4.014 2.547 1.00 0.00 H new ATOM 431 N TRP A 40 -8.089 0.663 -0.251 1.00 0.00 N ATOM 432 CA TRP A 40 -8.135 -0.567 -1.028 1.00 0.00 C ATOM 433 C TRP A 40 -8.947 -1.633 -0.299 1.00 0.00 C ATOM 434 O TRP A 40 -8.970 -1.673 0.932 1.00 0.00 O ATOM 435 CB TRP A 40 -6.717 -1.080 -1.275 1.00 0.00 C ATOM 436 CG TRP A 40 -6.108 -0.595 -2.555 1.00 0.00 C ATOM 437 CD1 TRP A 40 -6.422 -1.006 -3.818 1.00 0.00 C ATOM 438 CD2 TRP A 40 -5.074 0.385 -2.696 1.00 0.00 C ATOM 439 NE1 TRP A 40 -5.637 -0.347 -4.735 1.00 0.00 N ATOM 440 CE2 TRP A 40 -4.803 0.513 -4.070 1.00 0.00 C ATOM 441 CE3 TRP A 40 -4.349 1.168 -1.793 1.00 0.00 C ATOM 442 CZ2 TRP A 40 -3.837 1.389 -4.560 1.00 0.00 C ATOM 443 CZ3 TRP A 40 -3.392 2.037 -2.286 1.00 0.00 C ATOM 444 CH2 TRP A 40 -3.144 2.139 -3.656 1.00 0.00 C ATOM 0 H TRP A 40 -7.730 0.544 0.696 1.00 0.00 H new ATOM 0 HA TRP A 40 -8.615 -0.354 -1.983 1.00 0.00 H new ATOM 0 HB2 TRP A 40 -6.081 -0.775 -0.444 1.00 0.00 H new ATOM 0 HB3 TRP A 40 -6.732 -2.170 -1.282 1.00 0.00 H new ATOM 0 HD1 TRP A 40 -7.176 -1.740 -4.061 1.00 0.00 H new ATOM 0 HE1 TRP A 40 -5.670 -0.477 -5.746 1.00 0.00 H new ATOM 0 HE3 TRP A 40 -4.532 1.096 -0.731 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 -3.644 1.471 -5.619 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 -2.826 2.648 -1.598 1.00 0.00 H new ATOM 0 HH2 TRP A 40 -2.388 2.826 -4.007 1.00 0.00 H new ATOM 455 N ASN A 41 -9.607 -2.496 -1.065 1.00 0.00 N ATOM 456 CA ASN A 41 -10.417 -3.565 -0.490 1.00 0.00 C ATOM 457 C ASN A 41 -9.772 -4.926 -0.730 1.00 0.00 C ATOM 458 O ASN A 41 -9.636 -5.367 -1.871 1.00 0.00 O ATOM 459 CB ASN A 41 -11.824 -3.545 -1.088 1.00 0.00 C ATOM 460 CG ASN A 41 -12.433 -2.156 -1.085 1.00 0.00 C ATOM 461 OD1 ASN A 41 -13.004 -1.714 -2.082 1.00 0.00 O ATOM 462 ND2 ASN A 41 -12.314 -1.460 0.040 1.00 0.00 N ATOM 0 H ASN A 41 -9.597 -2.476 -2.085 1.00 0.00 H new ATOM 0 HA ASN A 41 -10.483 -3.398 0.585 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -11.787 -3.920 -2.111 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -12.466 -4.221 -0.523 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -12.704 -0.520 0.102 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -11.832 -1.866 0.842 1.00 0.00 H new ATOM 469 N VAL A 42 -9.379 -5.588 0.353 1.00 0.00 N ATOM 470 CA VAL A 42 -8.750 -6.901 0.261 1.00 0.00 C ATOM 471 C VAL A 42 -8.888 -7.670 1.571 1.00 0.00 C ATOM 472 O VAL A 42 -9.464 -7.172 2.538 1.00 0.00 O ATOM 473 CB VAL A 42 -7.257 -6.788 -0.102 1.00 0.00 C ATOM 474 CG1 VAL A 42 -7.086 -6.555 -1.596 1.00 0.00 C ATOM 475 CG2 VAL A 42 -6.590 -5.678 0.697 1.00 0.00 C ATOM 0 H VAL A 42 -9.485 -5.237 1.305 1.00 0.00 H new ATOM 0 HA VAL A 42 -9.267 -7.443 -0.531 1.00 0.00 H new ATOM 0 HB VAL A 42 -6.771 -7.729 0.155 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -6.025 -6.478 -1.833 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -7.521 -7.389 -2.146 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -7.589 -5.631 -1.880 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -5.536 -5.616 0.425 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -7.078 -4.728 0.478 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -6.677 -5.893 1.762 1.00 0.00 H new ATOM 485 N ASP A 43 -8.358 -8.889 1.595 1.00 0.00 N ATOM 486 CA ASP A 43 -8.427 -9.729 2.786 1.00 0.00 C ATOM 487 C ASP A 43 -7.063 -10.328 3.113 1.00 0.00 C ATOM 488 O ASP A 43 -6.264 -10.605 2.218 1.00 0.00 O ATOM 489 CB ASP A 43 -9.450 -10.849 2.586 1.00 0.00 C ATOM 490 CG ASP A 43 -10.814 -10.322 2.188 1.00 0.00 C ATOM 491 OD1 ASP A 43 -11.432 -9.600 2.999 1.00 0.00 O ATOM 492 OD2 ASP A 43 -11.266 -10.631 1.066 1.00 0.00 O ATOM 0 H ASP A 43 -7.876 -9.317 0.804 1.00 0.00 H new ATOM 0 HA ASP A 43 -8.738 -9.103 3.622 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -9.090 -11.533 1.818 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -9.540 -11.424 3.508 1.00 0.00 H new ATOM 497 N VAL A 44 -6.803 -10.528 4.403 1.00 0.00 N ATOM 498 CA VAL A 44 -5.537 -11.099 4.847 1.00 0.00 C ATOM 499 C VAL A 44 -5.649 -12.616 4.995 1.00 0.00 C ATOM 500 O VAL A 44 -6.515 -13.111 5.715 1.00 0.00 O ATOM 501 CB VAL A 44 -5.081 -10.498 6.191 1.00 0.00 C ATOM 502 CG1 VAL A 44 -3.608 -10.790 6.435 1.00 0.00 C ATOM 503 CG2 VAL A 44 -5.344 -9.001 6.229 1.00 0.00 C ATOM 0 H VAL A 44 -7.452 -10.303 5.157 1.00 0.00 H new ATOM 0 HA VAL A 44 -4.796 -10.857 4.085 1.00 0.00 H new ATOM 0 HB VAL A 44 -5.660 -10.965 6.987 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -3.304 -10.358 7.389 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -3.450 -11.868 6.459 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -3.013 -10.353 5.633 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -5.014 -8.598 7.187 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -4.795 -8.515 5.422 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -6.411 -8.816 6.105 1.00 0.00 H new ATOM 513 N PRO A 45 -4.775 -13.379 4.313 1.00 0.00 N ATOM 514 CA PRO A 45 -4.791 -14.844 4.373 1.00 0.00 C ATOM 515 C PRO A 45 -4.730 -15.379 5.802 1.00 0.00 C ATOM 516 O PRO A 45 -5.511 -16.254 6.174 1.00 0.00 O ATOM 517 CB PRO A 45 -3.538 -15.265 3.590 1.00 0.00 C ATOM 518 CG PRO A 45 -2.731 -14.021 3.420 1.00 0.00 C ATOM 519 CD PRO A 45 -3.712 -12.886 3.426 1.00 0.00 C ATOM 0 HA PRO A 45 -5.717 -15.245 3.961 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -2.975 -16.026 4.131 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -3.805 -15.693 2.624 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -2.006 -13.914 4.226 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -2.169 -14.045 2.487 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -3.264 -11.967 3.803 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -4.087 -12.671 2.426 1.00 0.00 H new ATOM 527 N VAL A 46 -3.796 -14.863 6.596 1.00 0.00 N ATOM 528 CA VAL A 46 -3.645 -15.313 7.975 1.00 0.00 C ATOM 529 C VAL A 46 -3.465 -14.144 8.937 1.00 0.00 C ATOM 530 O VAL A 46 -3.586 -12.981 8.553 1.00 0.00 O ATOM 531 CB VAL A 46 -2.449 -16.279 8.137 1.00 0.00 C ATOM 532 CG1 VAL A 46 -2.891 -17.538 8.855 1.00 0.00 C ATOM 533 CG2 VAL A 46 -1.823 -16.620 6.789 1.00 0.00 C ATOM 0 H VAL A 46 -3.137 -14.138 6.311 1.00 0.00 H new ATOM 0 HA VAL A 46 -4.567 -15.840 8.220 1.00 0.00 H new ATOM 0 HB VAL A 46 -1.687 -15.779 8.736 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -2.041 -18.212 8.964 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -3.277 -17.278 9.841 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -3.673 -18.031 8.277 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -0.985 -17.301 6.939 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -2.568 -17.096 6.152 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -1.468 -15.707 6.311 1.00 0.00 H new ATOM 543 N THR A 47 -3.175 -14.472 10.192 1.00 0.00 N ATOM 544 CA THR A 47 -2.974 -13.467 11.227 1.00 0.00 C ATOM 545 C THR A 47 -1.495 -13.337 11.577 1.00 0.00 C ATOM 546 O THR A 47 -0.981 -14.070 12.422 1.00 0.00 O ATOM 547 CB THR A 47 -3.772 -13.833 12.479 1.00 0.00 C ATOM 548 OG1 THR A 47 -3.551 -15.186 12.835 1.00 0.00 O ATOM 549 CG2 THR A 47 -5.264 -13.640 12.316 1.00 0.00 C ATOM 0 H THR A 47 -3.074 -15.433 10.517 1.00 0.00 H new ATOM 0 HA THR A 47 -3.326 -12.509 10.844 1.00 0.00 H new ATOM 0 HB THR A 47 -3.417 -13.156 13.256 1.00 0.00 H new ATOM 0 HG1 THR A 47 -2.589 -15.374 12.826 1.00 0.00 H new ATOM 0 HG21 THR A 47 -5.770 -13.918 13.241 1.00 0.00 H new ATOM 0 HG22 THR A 47 -5.473 -12.595 12.088 1.00 0.00 H new ATOM 0 HG23 THR A 47 -5.625 -14.268 11.502 1.00 0.00 H new ATOM 557 N GLY A 48 -0.815 -12.402 10.923 1.00 0.00 N ATOM 558 CA GLY A 48 0.598 -12.197 11.181 1.00 0.00 C ATOM 559 C GLY A 48 1.076 -10.832 10.733 1.00 0.00 C ATOM 560 O GLY A 48 0.277 -9.996 10.313 1.00 0.00 O ATOM 0 H GLY A 48 -1.217 -11.783 10.219 1.00 0.00 H new ATOM 0 HA2 GLY A 48 0.790 -12.314 12.248 1.00 0.00 H new ATOM 0 HA3 GLY A 48 1.174 -12.967 10.667 1.00 0.00 H new ATOM 564 N GLU A 49 2.383 -10.604 10.816 1.00 0.00 N ATOM 565 CA GLU A 49 2.961 -9.329 10.411 1.00 0.00 C ATOM 566 C GLU A 49 3.503 -9.411 8.992 1.00 0.00 C ATOM 567 O GLU A 49 4.492 -10.094 8.727 1.00 0.00 O ATOM 568 CB GLU A 49 4.063 -8.907 11.384 1.00 0.00 C ATOM 569 CG GLU A 49 4.791 -7.633 10.980 1.00 0.00 C ATOM 570 CD GLU A 49 6.143 -7.496 11.652 1.00 0.00 C ATOM 571 OE1 GLU A 49 6.857 -8.516 11.763 1.00 0.00 O ATOM 572 OE2 GLU A 49 6.490 -6.370 12.066 1.00 0.00 O ATOM 0 H GLU A 49 3.060 -11.285 11.160 1.00 0.00 H new ATOM 0 HA GLU A 49 2.175 -8.574 10.433 1.00 0.00 H new ATOM 0 HB2 GLU A 49 3.626 -8.766 12.373 1.00 0.00 H new ATOM 0 HB3 GLU A 49 4.788 -9.716 11.469 1.00 0.00 H new ATOM 0 HG2 GLU A 49 4.924 -7.623 9.898 1.00 0.00 H new ATOM 0 HG3 GLU A 49 4.174 -6.771 11.233 1.00 0.00 H new ATOM 579 N TYR A 50 2.836 -8.713 8.083 1.00 0.00 N ATOM 580 CA TYR A 50 3.229 -8.702 6.683 1.00 0.00 C ATOM 581 C TYR A 50 4.154 -7.530 6.387 1.00 0.00 C ATOM 582 O TYR A 50 4.134 -6.516 7.087 1.00 0.00 O ATOM 583 CB TYR A 50 1.984 -8.623 5.798 1.00 0.00 C ATOM 584 CG TYR A 50 1.060 -9.821 5.909 1.00 0.00 C ATOM 585 CD1 TYR A 50 1.294 -10.836 6.833 1.00 0.00 C ATOM 586 CD2 TYR A 50 -0.059 -9.930 5.093 1.00 0.00 C ATOM 587 CE1 TYR A 50 0.443 -11.918 6.937 1.00 0.00 C ATOM 588 CE2 TYR A 50 -0.914 -11.008 5.193 1.00 0.00 C ATOM 589 CZ TYR A 50 -0.660 -12.000 6.115 1.00 0.00 C ATOM 590 OH TYR A 50 -1.511 -13.076 6.218 1.00 0.00 O ATOM 0 H TYR A 50 2.016 -8.144 8.293 1.00 0.00 H new ATOM 0 HA TYR A 50 3.769 -9.624 6.468 1.00 0.00 H new ATOM 0 HB2 TYR A 50 1.426 -7.723 6.057 1.00 0.00 H new ATOM 0 HB3 TYR A 50 2.297 -8.516 4.760 1.00 0.00 H new ATOM 0 HD1 TYR A 50 2.157 -10.776 7.480 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -0.263 -9.157 4.367 1.00 0.00 H new ATOM 0 HE1 TYR A 50 0.641 -12.696 7.659 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -1.780 -11.074 4.551 1.00 0.00 H new ATOM 0 HH TYR A 50 -1.509 -13.408 7.140 1.00 0.00 H new ATOM 600 N ARG A 51 4.961 -7.670 5.342 1.00 0.00 N ATOM 601 CA ARG A 51 5.888 -6.617 4.952 1.00 0.00 C ATOM 602 C ARG A 51 5.253 -5.713 3.901 1.00 0.00 C ATOM 603 O ARG A 51 5.144 -6.084 2.732 1.00 0.00 O ATOM 604 CB ARG A 51 7.188 -7.223 4.418 1.00 0.00 C ATOM 605 CG ARG A 51 8.174 -6.191 3.894 1.00 0.00 C ATOM 606 CD ARG A 51 8.487 -6.413 2.422 1.00 0.00 C ATOM 607 NE ARG A 51 9.886 -6.130 2.110 1.00 0.00 N ATOM 608 CZ ARG A 51 10.909 -6.831 2.591 1.00 0.00 C ATOM 609 NH1 ARG A 51 10.697 -7.855 3.410 1.00 0.00 N ATOM 610 NH2 ARG A 51 12.150 -6.508 2.255 1.00 0.00 N ATOM 0 H ARG A 51 4.992 -8.501 4.751 1.00 0.00 H new ATOM 0 HA ARG A 51 6.120 -6.016 5.831 1.00 0.00 H new ATOM 0 HB2 ARG A 51 7.664 -7.797 5.213 1.00 0.00 H new ATOM 0 HB3 ARG A 51 6.950 -7.924 3.618 1.00 0.00 H new ATOM 0 HG2 ARG A 51 7.763 -5.191 4.032 1.00 0.00 H new ATOM 0 HG3 ARG A 51 9.096 -6.240 4.474 1.00 0.00 H new ATOM 0 HD2 ARG A 51 8.258 -7.444 2.154 1.00 0.00 H new ATOM 0 HD3 ARG A 51 7.844 -5.776 1.815 1.00 0.00 H new ATOM 0 HE ARG A 51 10.090 -5.349 1.487 1.00 0.00 H new ATOM 0 HH11 ARG A 51 9.745 -8.108 3.674 1.00 0.00 H new ATOM 0 HH12 ARG A 51 11.486 -8.388 3.775 1.00 0.00 H new ATOM 0 HH21 ARG A 51 12.320 -5.722 1.628 1.00 0.00 H new ATOM 0 HH22 ARG A 51 12.935 -7.045 2.624 1.00 0.00 H new ATOM 624 N ILE A 52 4.828 -4.531 4.330 1.00 0.00 N ATOM 625 CA ILE A 52 4.193 -3.575 3.433 1.00 0.00 C ATOM 626 C ILE A 52 5.201 -2.582 2.871 1.00 0.00 C ATOM 627 O ILE A 52 6.179 -2.228 3.530 1.00 0.00 O ATOM 628 CB ILE A 52 3.074 -2.790 4.150 1.00 0.00 C ATOM 629 CG1 ILE A 52 2.016 -3.749 4.695 1.00 0.00 C ATOM 630 CG2 ILE A 52 2.439 -1.769 3.212 1.00 0.00 C ATOM 631 CD1 ILE A 52 1.852 -3.667 6.192 1.00 0.00 C ATOM 0 H ILE A 52 4.912 -4.212 5.295 1.00 0.00 H new ATOM 0 HA ILE A 52 3.764 -4.155 2.616 1.00 0.00 H new ATOM 0 HB ILE A 52 3.518 -2.250 4.987 1.00 0.00 H new ATOM 0 HG12 ILE A 52 1.060 -3.532 4.219 1.00 0.00 H new ATOM 0 HG13 ILE A 52 2.285 -4.769 4.421 1.00 0.00 H new ATOM 0 HG21 ILE A 52 1.653 -1.229 3.740 1.00 0.00 H new ATOM 0 HG22 ILE A 52 3.199 -1.065 2.873 1.00 0.00 H new ATOM 0 HG23 ILE A 52 2.010 -2.283 2.352 1.00 0.00 H new ATOM 0 HD11 ILE A 52 1.086 -4.373 6.513 1.00 0.00 H new ATOM 0 HD12 ILE A 52 2.798 -3.912 6.676 1.00 0.00 H new ATOM 0 HD13 ILE A 52 1.553 -2.656 6.470 1.00 0.00 H new ATOM 643 N ASN A 53 4.937 -2.124 1.656 1.00 0.00 N ATOM 644 CA ASN A 53 5.796 -1.153 1.003 1.00 0.00 C ATOM 645 C ASN A 53 4.960 -0.212 0.147 1.00 0.00 C ATOM 646 O ASN A 53 4.107 -0.653 -0.623 1.00 0.00 O ATOM 647 CB ASN A 53 6.865 -1.847 0.153 1.00 0.00 C ATOM 648 CG ASN A 53 6.278 -2.624 -1.010 1.00 0.00 C ATOM 649 OD1 ASN A 53 5.674 -2.048 -1.915 1.00 0.00 O ATOM 650 ND2 ASN A 53 6.457 -3.939 -0.992 1.00 0.00 N ATOM 0 H ASN A 53 4.130 -2.412 1.102 1.00 0.00 H new ATOM 0 HA ASN A 53 6.306 -0.573 1.772 1.00 0.00 H new ATOM 0 HB2 ASN A 53 7.560 -1.100 -0.229 1.00 0.00 H new ATOM 0 HB3 ASN A 53 7.440 -2.525 0.783 1.00 0.00 H new ATOM 0 HD21 ASN A 53 6.087 -4.514 -1.749 1.00 0.00 H new ATOM 0 HD22 ASN A 53 6.964 -4.374 -0.221 1.00 0.00 H new ATOM 657 N LEU A 54 5.192 1.085 0.297 1.00 0.00 N ATOM 658 CA LEU A 54 4.436 2.076 -0.459 1.00 0.00 C ATOM 659 C LEU A 54 5.228 2.573 -1.656 1.00 0.00 C ATOM 660 O LEU A 54 6.419 2.866 -1.554 1.00 0.00 O ATOM 661 CB LEU A 54 4.038 3.257 0.441 1.00 0.00 C ATOM 662 CG LEU A 54 2.537 3.411 0.762 1.00 0.00 C ATOM 663 CD1 LEU A 54 2.013 4.749 0.260 1.00 0.00 C ATOM 664 CD2 LEU A 54 1.705 2.281 0.171 1.00 0.00 C ATOM 0 H LEU A 54 5.891 1.474 0.929 1.00 0.00 H new ATOM 0 HA LEU A 54 3.530 1.594 -0.826 1.00 0.00 H new ATOM 0 HB2 LEU A 54 4.579 3.164 1.383 1.00 0.00 H new ATOM 0 HB3 LEU A 54 4.380 4.177 -0.034 1.00 0.00 H new ATOM 0 HG LEU A 54 2.441 3.368 1.847 1.00 0.00 H new ATOM 0 HD11 LEU A 54 0.953 4.837 0.497 1.00 0.00 H new ATOM 0 HD12 LEU A 54 2.561 5.558 0.743 1.00 0.00 H new ATOM 0 HD13 LEU A 54 2.150 4.811 -0.820 1.00 0.00 H new ATOM 0 HD21 LEU A 54 0.655 2.432 0.423 1.00 0.00 H new ATOM 0 HD22 LEU A 54 1.821 2.273 -0.913 1.00 0.00 H new ATOM 0 HD23 LEU A 54 2.043 1.328 0.579 1.00 0.00 H new ATOM 676 N THR A 55 4.551 2.663 -2.793 1.00 0.00 N ATOM 677 CA THR A 55 5.185 3.124 -4.025 1.00 0.00 C ATOM 678 C THR A 55 4.472 4.348 -4.589 1.00 0.00 C ATOM 679 O THR A 55 3.242 4.405 -4.614 1.00 0.00 O ATOM 680 CB THR A 55 5.200 2.004 -5.066 1.00 0.00 C ATOM 681 OG1 THR A 55 5.241 0.734 -4.437 1.00 0.00 O ATOM 682 CG2 THR A 55 6.378 2.086 -6.014 1.00 0.00 C ATOM 0 H THR A 55 3.564 2.424 -2.890 1.00 0.00 H new ATOM 0 HA THR A 55 6.211 3.406 -3.787 1.00 0.00 H new ATOM 0 HB THR A 55 4.282 2.130 -5.640 1.00 0.00 H new ATOM 0 HG1 THR A 55 5.248 0.031 -5.120 1.00 0.00 H new ATOM 0 HG21 THR A 55 6.329 1.263 -6.727 1.00 0.00 H new ATOM 0 HG22 THR A 55 6.347 3.034 -6.551 1.00 0.00 H new ATOM 0 HG23 THR A 55 7.307 2.020 -5.447 1.00 0.00 H new ATOM 690 N TRP A 56 5.250 5.329 -5.045 1.00 0.00 N ATOM 691 CA TRP A 56 4.682 6.549 -5.611 1.00 0.00 C ATOM 692 C TRP A 56 5.493 7.038 -6.816 1.00 0.00 C ATOM 693 O TRP A 56 6.640 6.638 -7.014 1.00 0.00 O ATOM 694 CB TRP A 56 4.573 7.656 -4.551 1.00 0.00 C ATOM 695 CG TRP A 56 5.563 7.555 -3.422 1.00 0.00 C ATOM 696 CD1 TRP A 56 5.755 6.500 -2.574 1.00 0.00 C ATOM 697 CD2 TRP A 56 6.480 8.571 -3.009 1.00 0.00 C ATOM 698 NE1 TRP A 56 6.744 6.799 -1.667 1.00 0.00 N ATOM 699 CE2 TRP A 56 7.205 8.066 -1.913 1.00 0.00 C ATOM 700 CE3 TRP A 56 6.760 9.857 -3.464 1.00 0.00 C ATOM 701 CZ2 TRP A 56 8.192 8.810 -1.268 1.00 0.00 C ATOM 702 CZ3 TRP A 56 7.738 10.593 -2.826 1.00 0.00 C ATOM 703 CH2 TRP A 56 8.443 10.069 -1.738 1.00 0.00 C ATOM 0 H TRP A 56 6.270 5.302 -5.033 1.00 0.00 H new ATOM 0 HA TRP A 56 3.677 6.307 -5.957 1.00 0.00 H new ATOM 0 HB2 TRP A 56 4.701 8.621 -5.041 1.00 0.00 H new ATOM 0 HB3 TRP A 56 3.566 7.641 -4.134 1.00 0.00 H new ATOM 0 HD1 TRP A 56 5.210 5.568 -2.611 1.00 0.00 H new ATOM 0 HE1 TRP A 56 7.080 6.179 -0.930 1.00 0.00 H new ATOM 0 HE3 TRP A 56 6.221 10.272 -4.303 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 8.738 8.407 -0.428 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 7.963 11.591 -3.173 1.00 0.00 H new ATOM 0 HH2 TRP A 56 9.201 10.671 -1.259 1.00 0.00 H new ATOM 714 N SER A 57 4.871 7.898 -7.621 1.00 0.00 N ATOM 715 CA SER A 57 5.502 8.452 -8.828 1.00 0.00 C ATOM 716 C SER A 57 4.792 9.721 -9.259 1.00 0.00 C ATOM 717 O SER A 57 4.002 9.726 -10.204 1.00 0.00 O ATOM 718 CB SER A 57 5.482 7.420 -9.958 1.00 0.00 C ATOM 719 OG SER A 57 5.525 8.046 -11.229 1.00 0.00 O ATOM 0 H SER A 57 3.921 8.232 -7.460 1.00 0.00 H new ATOM 0 HA SER A 57 6.539 8.696 -8.598 1.00 0.00 H new ATOM 0 HB2 SER A 57 6.333 6.747 -9.853 1.00 0.00 H new ATOM 0 HB3 SER A 57 4.582 6.811 -9.881 1.00 0.00 H new ATOM 0 HG SER A 57 6.458 8.210 -11.481 1.00 0.00 H new ATOM 725 N SER A 58 5.095 10.798 -8.556 1.00 0.00 N ATOM 726 CA SER A 58 4.517 12.097 -8.840 1.00 0.00 C ATOM 727 C SER A 58 5.630 13.082 -9.166 1.00 0.00 C ATOM 728 O SER A 58 6.306 13.585 -8.270 1.00 0.00 O ATOM 729 CB SER A 58 3.720 12.574 -7.637 1.00 0.00 C ATOM 730 OG SER A 58 3.394 13.949 -7.738 1.00 0.00 O ATOM 0 H SER A 58 5.748 10.795 -7.773 1.00 0.00 H new ATOM 0 HA SER A 58 3.846 12.025 -9.696 1.00 0.00 H new ATOM 0 HB2 SER A 58 2.805 11.988 -7.551 1.00 0.00 H new ATOM 0 HB3 SER A 58 4.295 12.402 -6.727 1.00 0.00 H new ATOM 0 HG SER A 58 3.091 14.147 -8.649 1.00 0.00 H new ATOM 736 N PRO A 59 5.868 13.334 -10.458 1.00 0.00 N ATOM 737 CA PRO A 59 6.945 14.222 -10.906 1.00 0.00 C ATOM 738 C PRO A 59 6.764 15.697 -10.513 1.00 0.00 C ATOM 739 O PRO A 59 6.938 16.581 -11.352 1.00 0.00 O ATOM 740 CB PRO A 59 6.909 14.084 -12.437 1.00 0.00 C ATOM 741 CG PRO A 59 6.152 12.827 -12.696 1.00 0.00 C ATOM 742 CD PRO A 59 5.147 12.736 -11.591 1.00 0.00 C ATOM 0 HA PRO A 59 7.888 13.938 -10.438 1.00 0.00 H new ATOM 0 HB2 PRO A 59 6.419 14.941 -12.899 1.00 0.00 H new ATOM 0 HB3 PRO A 59 7.916 14.031 -12.852 1.00 0.00 H new ATOM 0 HG2 PRO A 59 5.664 12.856 -13.670 1.00 0.00 H new ATOM 0 HG3 PRO A 59 6.815 11.962 -12.697 1.00 0.00 H new ATOM 0 HD2 PRO A 59 4.234 13.283 -11.826 1.00 0.00 H new ATOM 0 HD3 PRO A 59 4.857 11.705 -11.389 1.00 0.00 H new ATOM 750 N TYR A 60 6.439 15.977 -9.246 1.00 0.00 N ATOM 751 CA TYR A 60 6.274 17.367 -8.804 1.00 0.00 C ATOM 752 C TYR A 60 6.795 17.574 -7.376 1.00 0.00 C ATOM 753 O TYR A 60 7.936 17.993 -7.184 1.00 0.00 O ATOM 754 CB TYR A 60 4.809 17.838 -8.910 1.00 0.00 C ATOM 755 CG TYR A 60 3.878 16.885 -9.627 1.00 0.00 C ATOM 756 CD1 TYR A 60 4.024 16.626 -10.984 1.00 0.00 C ATOM 757 CD2 TYR A 60 2.845 16.251 -8.946 1.00 0.00 C ATOM 758 CE1 TYR A 60 3.172 15.761 -11.642 1.00 0.00 C ATOM 759 CE2 TYR A 60 1.988 15.384 -9.598 1.00 0.00 C ATOM 760 CZ TYR A 60 2.156 15.142 -10.946 1.00 0.00 C ATOM 761 OH TYR A 60 1.305 14.280 -11.599 1.00 0.00 O ATOM 0 H TYR A 60 6.287 15.276 -8.521 1.00 0.00 H new ATOM 0 HA TYR A 60 6.873 17.977 -9.480 1.00 0.00 H new ATOM 0 HB2 TYR A 60 4.425 18.009 -7.904 1.00 0.00 H new ATOM 0 HB3 TYR A 60 4.789 18.798 -9.426 1.00 0.00 H new ATOM 0 HD1 TYR A 60 4.818 17.110 -11.534 1.00 0.00 H new ATOM 0 HD2 TYR A 60 2.710 16.439 -7.891 1.00 0.00 H new ATOM 0 HE1 TYR A 60 3.301 15.570 -12.697 1.00 0.00 H new ATOM 0 HE2 TYR A 60 1.191 14.898 -9.055 1.00 0.00 H new ATOM 0 HH TYR A 60 1.780 13.850 -12.340 1.00 0.00 H new ATOM 771 N SER A 61 5.955 17.292 -6.378 1.00 0.00 N ATOM 772 CA SER A 61 6.340 17.461 -4.974 1.00 0.00 C ATOM 773 C SER A 61 5.160 17.150 -4.055 1.00 0.00 C ATOM 774 O SER A 61 4.012 17.145 -4.496 1.00 0.00 O ATOM 775 CB SER A 61 6.835 18.888 -4.722 1.00 0.00 C ATOM 776 OG SER A 61 6.866 19.179 -3.335 1.00 0.00 O ATOM 0 H SER A 61 5.005 16.946 -6.515 1.00 0.00 H new ATOM 0 HA SER A 61 7.149 16.764 -4.756 1.00 0.00 H new ATOM 0 HB2 SER A 61 7.832 19.011 -5.145 1.00 0.00 H new ATOM 0 HB3 SER A 61 6.183 19.598 -5.231 1.00 0.00 H new ATOM 0 HG SER A 61 7.187 20.095 -3.200 1.00 0.00 H new ATOM 782 N SER A 62 5.443 16.874 -2.782 1.00 0.00 N ATOM 783 CA SER A 62 4.382 16.544 -1.834 1.00 0.00 C ATOM 784 C SER A 62 4.580 17.231 -0.474 1.00 0.00 C ATOM 785 O SER A 62 4.960 18.400 -0.413 1.00 0.00 O ATOM 786 CB SER A 62 4.283 15.027 -1.670 1.00 0.00 C ATOM 787 OG SER A 62 2.957 14.633 -1.363 1.00 0.00 O ATOM 0 H SER A 62 6.384 16.872 -2.389 1.00 0.00 H new ATOM 0 HA SER A 62 3.444 16.922 -2.241 1.00 0.00 H new ATOM 0 HB2 SER A 62 4.608 14.537 -2.588 1.00 0.00 H new ATOM 0 HB3 SER A 62 4.956 14.699 -0.878 1.00 0.00 H new ATOM 0 HG SER A 62 2.343 15.371 -1.560 1.00 0.00 H new ATOM 793 N LYS A 63 4.276 16.512 0.614 1.00 0.00 N ATOM 794 CA LYS A 63 4.374 17.065 1.962 1.00 0.00 C ATOM 795 C LYS A 63 3.975 16.014 3.000 1.00 0.00 C ATOM 796 O LYS A 63 3.571 14.904 2.650 1.00 0.00 O ATOM 797 CB LYS A 63 3.481 18.302 2.095 1.00 0.00 C ATOM 798 CG LYS A 63 4.083 19.406 2.955 1.00 0.00 C ATOM 799 CD LYS A 63 5.464 19.813 2.461 1.00 0.00 C ATOM 800 CE LYS A 63 6.553 19.377 3.429 1.00 0.00 C ATOM 801 NZ LYS A 63 6.374 19.985 4.778 1.00 0.00 N ATOM 0 H LYS A 63 3.959 15.543 0.582 1.00 0.00 H new ATOM 0 HA LYS A 63 5.409 17.358 2.141 1.00 0.00 H new ATOM 0 HB2 LYS A 63 3.277 18.699 1.101 1.00 0.00 H new ATOM 0 HB3 LYS A 63 2.524 18.003 2.522 1.00 0.00 H new ATOM 0 HG2 LYS A 63 3.423 20.274 2.948 1.00 0.00 H new ATOM 0 HG3 LYS A 63 4.151 19.066 3.988 1.00 0.00 H new ATOM 0 HD2 LYS A 63 5.647 19.369 1.482 1.00 0.00 H new ATOM 0 HD3 LYS A 63 5.502 20.895 2.333 1.00 0.00 H new ATOM 0 HE2 LYS A 63 6.547 18.291 3.517 1.00 0.00 H new ATOM 0 HE3 LYS A 63 7.527 19.659 3.030 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 7.186 20.598 4.993 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 5.501 20.550 4.791 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 6.310 19.232 5.492 1.00 0.00 H new ATOM 815 N VAL A 64 4.117 16.352 4.280 1.00 0.00 N ATOM 816 CA VAL A 64 3.764 15.427 5.359 1.00 0.00 C ATOM 817 C VAL A 64 2.422 14.746 5.070 1.00 0.00 C ATOM 818 O VAL A 64 1.541 15.347 4.455 1.00 0.00 O ATOM 819 CB VAL A 64 3.683 16.155 6.718 1.00 0.00 C ATOM 820 CG1 VAL A 64 3.600 15.157 7.863 1.00 0.00 C ATOM 821 CG2 VAL A 64 4.873 17.088 6.902 1.00 0.00 C ATOM 0 H VAL A 64 4.472 17.254 4.596 1.00 0.00 H new ATOM 0 HA VAL A 64 4.550 14.674 5.411 1.00 0.00 H new ATOM 0 HB VAL A 64 2.774 16.756 6.726 1.00 0.00 H new ATOM 0 HG11 VAL A 64 3.544 15.694 8.810 1.00 0.00 H new ATOM 0 HG12 VAL A 64 2.710 14.539 7.743 1.00 0.00 H new ATOM 0 HG13 VAL A 64 4.486 14.522 7.858 1.00 0.00 H new ATOM 0 HG21 VAL A 64 4.796 17.591 7.866 1.00 0.00 H new ATOM 0 HG22 VAL A 64 5.797 16.511 6.867 1.00 0.00 H new ATOM 0 HG23 VAL A 64 4.879 17.831 6.105 1.00 0.00 H new ATOM 831 N ASN A 65 2.268 13.489 5.494 1.00 0.00 N ATOM 832 CA ASN A 65 1.026 12.758 5.245 1.00 0.00 C ATOM 833 C ASN A 65 0.873 11.563 6.182 1.00 0.00 C ATOM 834 O ASN A 65 1.809 11.188 6.888 1.00 0.00 O ATOM 835 CB ASN A 65 0.979 12.285 3.791 1.00 0.00 C ATOM 836 CG ASN A 65 -0.344 12.601 3.123 1.00 0.00 C ATOM 837 OD1 ASN A 65 -0.591 13.882 2.876 1.00 0.00 O flip ATOM 838 ND2 ASN A 65 -1.135 11.704 2.833 1.00 0.00 N flip ATOM 0 H ASN A 65 2.978 12.963 6.004 1.00 0.00 H new ATOM 0 HA ASN A 65 0.198 13.441 5.437 1.00 0.00 H new ATOM 0 HB2 ASN A 65 1.787 12.757 3.232 1.00 0.00 H new ATOM 0 HB3 ASN A 65 1.153 11.210 3.756 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -0.903 10.733 3.042 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -2.022 11.932 2.384 1.00 0.00 H new ATOM 845 N THR A 66 -0.321 10.972 6.181 1.00 0.00 N ATOM 846 CA THR A 66 -0.612 9.818 7.028 1.00 0.00 C ATOM 847 C THR A 66 -0.732 8.537 6.202 1.00 0.00 C ATOM 848 O THR A 66 -1.348 8.526 5.134 1.00 0.00 O ATOM 849 CB THR A 66 -1.901 10.051 7.824 1.00 0.00 C ATOM 850 OG1 THR A 66 -2.448 11.326 7.535 1.00 0.00 O ATOM 851 CG2 THR A 66 -1.701 9.967 9.322 1.00 0.00 C ATOM 0 H THR A 66 -1.104 11.275 5.601 1.00 0.00 H new ATOM 0 HA THR A 66 0.220 9.698 7.722 1.00 0.00 H new ATOM 0 HB THR A 66 -2.578 9.253 7.517 1.00 0.00 H new ATOM 0 HG1 THR A 66 -3.271 11.454 8.052 1.00 0.00 H new ATOM 0 HG21 THR A 66 -2.651 10.141 9.826 1.00 0.00 H new ATOM 0 HG22 THR A 66 -1.327 8.977 9.584 1.00 0.00 H new ATOM 0 HG23 THR A 66 -0.980 10.722 9.636 1.00 0.00 H new ATOM 859 N LEU A 67 -0.139 7.462 6.712 1.00 0.00 N ATOM 860 CA LEU A 67 -0.165 6.164 6.042 1.00 0.00 C ATOM 861 C LEU A 67 -1.200 5.245 6.687 1.00 0.00 C ATOM 862 O LEU A 67 -0.965 4.703 7.765 1.00 0.00 O ATOM 863 CB LEU A 67 1.221 5.514 6.130 1.00 0.00 C ATOM 864 CG LEU A 67 2.020 5.448 4.827 1.00 0.00 C ATOM 865 CD1 LEU A 67 1.480 4.348 3.930 1.00 0.00 C ATOM 866 CD2 LEU A 67 2.010 6.791 4.107 1.00 0.00 C ATOM 0 H LEU A 67 0.370 7.464 7.596 1.00 0.00 H new ATOM 0 HA LEU A 67 -0.436 6.317 4.997 1.00 0.00 H new ATOM 0 HB2 LEU A 67 1.810 6.062 6.866 1.00 0.00 H new ATOM 0 HB3 LEU A 67 1.100 4.499 6.510 1.00 0.00 H new ATOM 0 HG LEU A 67 3.055 5.214 5.075 1.00 0.00 H new ATOM 0 HD11 LEU A 67 2.059 4.314 3.007 1.00 0.00 H new ATOM 0 HD12 LEU A 67 1.558 3.389 4.443 1.00 0.00 H new ATOM 0 HD13 LEU A 67 0.435 4.550 3.695 1.00 0.00 H new ATOM 0 HD21 LEU A 67 2.586 6.714 3.185 1.00 0.00 H new ATOM 0 HD22 LEU A 67 0.983 7.070 3.871 1.00 0.00 H new ATOM 0 HD23 LEU A 67 2.454 7.551 4.749 1.00 0.00 H new ATOM 878 N VAL A 68 -2.343 5.064 6.026 1.00 0.00 N ATOM 879 CA VAL A 68 -3.392 4.206 6.560 1.00 0.00 C ATOM 880 C VAL A 68 -3.232 2.772 6.069 1.00 0.00 C ATOM 881 O VAL A 68 -3.681 2.425 4.979 1.00 0.00 O ATOM 882 CB VAL A 68 -4.790 4.717 6.165 1.00 0.00 C ATOM 883 CG1 VAL A 68 -5.869 3.960 6.924 1.00 0.00 C ATOM 884 CG2 VAL A 68 -4.903 6.214 6.413 1.00 0.00 C ATOM 0 H VAL A 68 -2.562 5.497 5.129 1.00 0.00 H new ATOM 0 HA VAL A 68 -3.297 4.229 7.646 1.00 0.00 H new ATOM 0 HB VAL A 68 -4.934 4.538 5.099 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -6.850 4.335 6.632 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -5.802 2.898 6.689 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -5.730 4.104 7.995 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -5.898 6.556 6.128 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -4.737 6.421 7.470 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -4.155 6.739 5.819 1.00 0.00 H new ATOM 894 N MET A 69 -2.600 1.939 6.886 1.00 0.00 N ATOM 895 CA MET A 69 -2.390 0.540 6.533 1.00 0.00 C ATOM 896 C MET A 69 -3.012 -0.378 7.579 1.00 0.00 C ATOM 897 O MET A 69 -2.593 -0.390 8.736 1.00 0.00 O ATOM 898 CB MET A 69 -0.894 0.244 6.392 1.00 0.00 C ATOM 899 CG MET A 69 -0.138 1.277 5.566 1.00 0.00 C ATOM 900 SD MET A 69 -0.769 1.424 3.881 1.00 0.00 S ATOM 901 CE MET A 69 0.757 1.503 2.941 1.00 0.00 C ATOM 0 H MET A 69 -2.224 2.207 7.796 1.00 0.00 H new ATOM 0 HA MET A 69 -2.876 0.352 5.576 1.00 0.00 H new ATOM 0 HB2 MET A 69 -0.449 0.190 7.385 1.00 0.00 H new ATOM 0 HB3 MET A 69 -0.769 -0.737 5.933 1.00 0.00 H new ATOM 0 HG2 MET A 69 -0.202 2.247 6.059 1.00 0.00 H new ATOM 0 HG3 MET A 69 0.917 1.006 5.532 1.00 0.00 H new ATOM 0 HE1 MET A 69 0.721 2.352 2.259 1.00 0.00 H new ATOM 0 HE2 MET A 69 1.599 1.621 3.623 1.00 0.00 H new ATOM 0 HE3 MET A 69 0.880 0.583 2.369 1.00 0.00 H new ATOM 911 N ASP A 70 -4.016 -1.144 7.164 1.00 0.00 N ATOM 912 CA ASP A 70 -4.705 -2.068 8.063 1.00 0.00 C ATOM 913 C ASP A 70 -5.537 -1.313 9.097 1.00 0.00 C ATOM 914 O ASP A 70 -5.805 -1.826 10.184 1.00 0.00 O ATOM 915 CB ASP A 70 -3.699 -2.978 8.771 1.00 0.00 C ATOM 916 CG ASP A 70 -4.252 -4.365 9.026 1.00 0.00 C ATOM 917 OD1 ASP A 70 -4.775 -4.982 8.073 1.00 0.00 O ATOM 918 OD2 ASP A 70 -4.166 -4.837 10.179 1.00 0.00 O ATOM 0 H ASP A 70 -4.373 -1.144 6.208 1.00 0.00 H new ATOM 0 HA ASP A 70 -5.376 -2.679 7.460 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -2.796 -3.056 8.166 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -3.409 -2.526 9.719 1.00 0.00 H new ATOM 923 N GLY A 71 -5.948 -0.097 8.752 1.00 0.00 N ATOM 924 CA GLY A 71 -6.750 0.701 9.663 1.00 0.00 C ATOM 925 C GLY A 71 -5.918 1.673 10.478 1.00 0.00 C ATOM 926 O GLY A 71 -6.418 2.710 10.915 1.00 0.00 O ATOM 0 H GLY A 71 -5.741 0.350 7.859 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -7.495 1.256 9.093 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -7.293 0.039 10.338 1.00 0.00 H new ATOM 930 N THR A 72 -4.648 1.340 10.684 1.00 0.00 N ATOM 931 CA THR A 72 -3.750 2.195 11.453 1.00 0.00 C ATOM 932 C THR A 72 -3.131 3.267 10.561 1.00 0.00 C ATOM 933 O THR A 72 -2.740 2.993 9.426 1.00 0.00 O ATOM 934 CB THR A 72 -2.650 1.359 12.110 1.00 0.00 C ATOM 935 OG1 THR A 72 -3.020 -0.007 12.162 1.00 0.00 O ATOM 936 CG2 THR A 72 -2.329 1.800 13.522 1.00 0.00 C ATOM 0 H THR A 72 -4.218 0.486 10.330 1.00 0.00 H new ATOM 0 HA THR A 72 -4.332 2.686 12.233 1.00 0.00 H new ATOM 0 HB THR A 72 -1.766 1.505 11.489 1.00 0.00 H new ATOM 0 HG1 THR A 72 -2.303 -0.524 12.584 1.00 0.00 H new ATOM 0 HG21 THR A 72 -1.541 1.167 13.931 1.00 0.00 H new ATOM 0 HG22 THR A 72 -1.992 2.837 13.512 1.00 0.00 H new ATOM 0 HG23 THR A 72 -3.222 1.714 14.142 1.00 0.00 H new ATOM 944 N ALA A 73 -3.048 4.489 11.078 1.00 0.00 N ATOM 945 CA ALA A 73 -2.480 5.599 10.320 1.00 0.00 C ATOM 946 C ALA A 73 -1.178 6.093 10.942 1.00 0.00 C ATOM 947 O ALA A 73 -1.188 6.770 11.970 1.00 0.00 O ATOM 948 CB ALA A 73 -3.483 6.738 10.222 1.00 0.00 C ATOM 0 H ALA A 73 -3.366 4.735 12.015 1.00 0.00 H new ATOM 0 HA ALA A 73 -2.253 5.236 9.317 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -3.046 7.559 9.654 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -4.384 6.387 9.718 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -3.739 7.085 11.223 1.00 0.00 H new ATOM 954 N LEU A 74 -0.058 5.757 10.307 1.00 0.00 N ATOM 955 CA LEU A 74 1.248 6.173 10.793 1.00 0.00 C ATOM 956 C LEU A 74 1.639 7.523 10.196 1.00 0.00 C ATOM 957 O LEU A 74 1.288 7.832 9.057 1.00 0.00 O ATOM 958 CB LEU A 74 2.309 5.109 10.465 1.00 0.00 C ATOM 959 CG LEU A 74 2.912 5.180 9.054 1.00 0.00 C ATOM 960 CD1 LEU A 74 4.413 5.413 9.124 1.00 0.00 C ATOM 961 CD2 LEU A 74 2.608 3.911 8.270 1.00 0.00 C ATOM 0 H LEU A 74 -0.032 5.197 9.455 1.00 0.00 H new ATOM 0 HA LEU A 74 1.193 6.281 11.876 1.00 0.00 H new ATOM 0 HB2 LEU A 74 3.118 5.194 11.190 1.00 0.00 H new ATOM 0 HB3 LEU A 74 1.862 4.124 10.600 1.00 0.00 H new ATOM 0 HG LEU A 74 2.455 6.021 8.533 1.00 0.00 H new ATOM 0 HD11 LEU A 74 4.821 5.460 8.114 1.00 0.00 H new ATOM 0 HD12 LEU A 74 4.612 6.352 9.640 1.00 0.00 H new ATOM 0 HD13 LEU A 74 4.883 4.594 9.668 1.00 0.00 H new ATOM 0 HD21 LEU A 74 3.045 3.985 7.274 1.00 0.00 H new ATOM 0 HD22 LEU A 74 3.032 3.052 8.790 1.00 0.00 H new ATOM 0 HD23 LEU A 74 1.529 3.786 8.184 1.00 0.00 H new ATOM 973 N SER A 75 2.368 8.322 10.966 1.00 0.00 N ATOM 974 CA SER A 75 2.803 9.634 10.500 1.00 0.00 C ATOM 975 C SER A 75 4.021 9.506 9.596 1.00 0.00 C ATOM 976 O SER A 75 5.132 9.259 10.062 1.00 0.00 O ATOM 977 CB SER A 75 3.130 10.539 11.689 1.00 0.00 C ATOM 978 OG SER A 75 1.956 10.898 12.397 1.00 0.00 O ATOM 0 H SER A 75 2.669 8.086 11.912 1.00 0.00 H new ATOM 0 HA SER A 75 1.989 10.080 9.928 1.00 0.00 H new ATOM 0 HB2 SER A 75 3.820 10.028 12.360 1.00 0.00 H new ATOM 0 HB3 SER A 75 3.635 11.438 11.337 1.00 0.00 H new ATOM 0 HG SER A 75 2.193 11.475 13.153 1.00 0.00 H new ATOM 984 N TYR A 76 3.800 9.681 8.299 1.00 0.00 N ATOM 985 CA TYR A 76 4.875 9.591 7.322 1.00 0.00 C ATOM 986 C TYR A 76 4.889 10.825 6.432 1.00 0.00 C ATOM 987 O TYR A 76 3.998 11.018 5.605 1.00 0.00 O ATOM 988 CB TYR A 76 4.725 8.330 6.474 1.00 0.00 C ATOM 989 CG TYR A 76 6.004 7.920 5.786 1.00 0.00 C ATOM 990 CD1 TYR A 76 6.368 8.479 4.569 1.00 0.00 C ATOM 991 CD2 TYR A 76 6.852 6.978 6.357 1.00 0.00 C ATOM 992 CE1 TYR A 76 7.540 8.113 3.939 1.00 0.00 C ATOM 993 CE2 TYR A 76 8.027 6.607 5.732 1.00 0.00 C ATOM 994 CZ TYR A 76 8.367 7.176 4.523 1.00 0.00 C ATOM 995 OH TYR A 76 9.536 6.809 3.897 1.00 0.00 O ATOM 0 H TYR A 76 2.884 9.886 7.900 1.00 0.00 H new ATOM 0 HA TYR A 76 5.822 9.537 7.859 1.00 0.00 H new ATOM 0 HB2 TYR A 76 4.383 7.512 7.108 1.00 0.00 H new ATOM 0 HB3 TYR A 76 3.953 8.495 5.723 1.00 0.00 H new ATOM 0 HD1 TYR A 76 5.723 9.212 4.107 1.00 0.00 H new ATOM 0 HD2 TYR A 76 6.588 6.529 7.303 1.00 0.00 H new ATOM 0 HE1 TYR A 76 7.809 8.558 2.993 1.00 0.00 H new ATOM 0 HE2 TYR A 76 8.676 5.875 6.188 1.00 0.00 H new ATOM 0 HH TYR A 76 9.653 5.838 3.966 1.00 0.00 H new ATOM 1005 N ALA A 77 5.897 11.667 6.620 1.00 0.00 N ATOM 1006 CA ALA A 77 6.020 12.893 5.846 1.00 0.00 C ATOM 1007 C ALA A 77 6.987 12.727 4.683 1.00 0.00 C ATOM 1008 O ALA A 77 8.044 12.114 4.831 1.00 0.00 O ATOM 1009 CB ALA A 77 6.479 14.030 6.747 1.00 0.00 C ATOM 0 H ALA A 77 6.641 11.522 7.302 1.00 0.00 H new ATOM 0 HA ALA A 77 5.039 13.128 5.432 1.00 0.00 H new ATOM 0 HB1 ALA A 77 6.569 14.945 6.161 1.00 0.00 H new ATOM 0 HB2 ALA A 77 5.750 14.180 7.544 1.00 0.00 H new ATOM 0 HB3 ALA A 77 7.447 13.781 7.182 1.00 0.00 H new ATOM 1015 N PHE A 78 6.635 13.285 3.523 1.00 0.00 N ATOM 1016 CA PHE A 78 7.512 13.186 2.360 1.00 0.00 C ATOM 1017 C PHE A 78 7.011 14.021 1.194 1.00 0.00 C ATOM 1018 O PHE A 78 5.968 14.672 1.276 1.00 0.00 O ATOM 1019 CB PHE A 78 7.680 11.727 1.923 1.00 0.00 C ATOM 1020 CG PHE A 78 6.393 10.985 1.662 1.00 0.00 C ATOM 1021 CD1 PHE A 78 5.158 11.613 1.754 1.00 0.00 C ATOM 1022 CD2 PHE A 78 6.429 9.642 1.326 1.00 0.00 C ATOM 1023 CE1 PHE A 78 3.991 10.912 1.518 1.00 0.00 C ATOM 1024 CE2 PHE A 78 5.267 8.937 1.092 1.00 0.00 C ATOM 1025 CZ PHE A 78 4.047 9.572 1.188 1.00 0.00 C ATOM 0 H PHE A 78 5.768 13.799 3.367 1.00 0.00 H new ATOM 0 HA PHE A 78 8.482 13.581 2.663 1.00 0.00 H new ATOM 0 HB2 PHE A 78 8.285 11.703 1.017 1.00 0.00 H new ATOM 0 HB3 PHE A 78 8.238 11.195 2.694 1.00 0.00 H new ATOM 0 HD1 PHE A 78 5.109 12.660 2.013 1.00 0.00 H new ATOM 0 HD2 PHE A 78 7.381 9.139 1.246 1.00 0.00 H new ATOM 0 HE1 PHE A 78 3.036 11.411 1.591 1.00 0.00 H new ATOM 0 HE2 PHE A 78 5.313 7.889 0.834 1.00 0.00 H new ATOM 0 HZ PHE A 78 3.136 9.022 1.005 1.00 0.00 H new ATOM 1035 N ALA A 79 7.767 13.988 0.103 1.00 0.00 N ATOM 1036 CA ALA A 79 7.422 14.728 -1.099 1.00 0.00 C ATOM 1037 C ALA A 79 6.867 13.780 -2.152 1.00 0.00 C ATOM 1038 O ALA A 79 6.470 12.661 -1.835 1.00 0.00 O ATOM 1039 CB ALA A 79 8.640 15.468 -1.632 1.00 0.00 C ATOM 0 H ALA A 79 8.631 13.450 0.029 1.00 0.00 H new ATOM 0 HA ALA A 79 6.656 15.463 -0.854 1.00 0.00 H new ATOM 0 HB1 ALA A 79 8.366 16.018 -2.533 1.00 0.00 H new ATOM 0 HB2 ALA A 79 9.001 16.166 -0.877 1.00 0.00 H new ATOM 0 HB3 ALA A 79 9.426 14.751 -1.869 1.00 0.00 H new ATOM 1045 N GLU A 80 6.840 14.224 -3.401 1.00 0.00 N ATOM 1046 CA GLU A 80 6.337 13.393 -4.487 1.00 0.00 C ATOM 1047 C GLU A 80 7.387 13.256 -5.585 1.00 0.00 C ATOM 1048 O GLU A 80 7.685 14.208 -6.305 1.00 0.00 O ATOM 1049 CB GLU A 80 5.030 13.966 -5.056 1.00 0.00 C ATOM 1050 CG GLU A 80 3.763 13.200 -4.658 1.00 0.00 C ATOM 1051 CD GLU A 80 4.009 11.731 -4.351 1.00 0.00 C ATOM 1052 OE1 GLU A 80 4.371 11.419 -3.196 1.00 0.00 O ATOM 1053 OE2 GLU A 80 3.836 10.895 -5.262 1.00 0.00 O ATOM 0 H GLU A 80 7.159 15.150 -3.687 1.00 0.00 H new ATOM 0 HA GLU A 80 6.125 12.402 -4.087 1.00 0.00 H new ATOM 0 HB2 GLU A 80 4.930 15.000 -4.727 1.00 0.00 H new ATOM 0 HB3 GLU A 80 5.101 13.983 -6.144 1.00 0.00 H new ATOM 0 HG2 GLU A 80 3.321 13.676 -3.783 1.00 0.00 H new ATOM 0 HG3 GLU A 80 3.034 13.277 -5.465 1.00 0.00 H new ATOM 1060 N ALA A 81 7.944 12.057 -5.692 1.00 0.00 N ATOM 1061 CA ALA A 81 8.967 11.754 -6.682 1.00 0.00 C ATOM 1062 C ALA A 81 8.350 11.172 -7.935 1.00 0.00 C ATOM 1063 O ALA A 81 7.305 10.537 -7.876 1.00 0.00 O ATOM 1064 CB ALA A 81 9.953 10.757 -6.110 1.00 0.00 C ATOM 0 H ALA A 81 7.699 11.267 -5.095 1.00 0.00 H new ATOM 0 HA ALA A 81 9.478 12.682 -6.938 1.00 0.00 H new ATOM 0 HB1 ALA A 81 10.717 10.533 -6.854 1.00 0.00 H new ATOM 0 HB2 ALA A 81 10.424 11.179 -5.222 1.00 0.00 H new ATOM 0 HB3 ALA A 81 9.429 9.840 -5.841 1.00 0.00 H new ATOM 1070 N THR A 82 9.009 11.368 -9.066 1.00 0.00 N ATOM 1071 CA THR A 82 8.509 10.832 -10.322 1.00 0.00 C ATOM 1072 C THR A 82 8.850 9.351 -10.451 1.00 0.00 C ATOM 1073 O THR A 82 8.107 8.580 -11.057 1.00 0.00 O ATOM 1074 CB THR A 82 9.076 11.595 -11.512 1.00 0.00 C ATOM 1075 OG1 THR A 82 9.081 10.790 -12.679 1.00 0.00 O ATOM 1076 CG2 THR A 82 10.485 12.113 -11.304 1.00 0.00 C ATOM 0 H THR A 82 9.883 11.889 -9.141 1.00 0.00 H new ATOM 0 HA THR A 82 7.425 10.949 -10.319 1.00 0.00 H new ATOM 0 HB THR A 82 8.414 12.453 -11.625 1.00 0.00 H new ATOM 0 HG1 THR A 82 9.448 11.303 -13.429 1.00 0.00 H new ATOM 0 HG21 THR A 82 10.813 12.644 -12.198 1.00 0.00 H new ATOM 0 HG22 THR A 82 10.501 12.793 -10.452 1.00 0.00 H new ATOM 0 HG23 THR A 82 11.156 11.276 -11.113 1.00 0.00 H new ATOM 1084 N VAL A 83 9.988 8.969 -9.879 1.00 0.00 N ATOM 1085 CA VAL A 83 10.447 7.588 -9.927 1.00 0.00 C ATOM 1086 C VAL A 83 9.722 6.733 -8.888 1.00 0.00 C ATOM 1087 O VAL A 83 9.495 7.177 -7.762 1.00 0.00 O ATOM 1088 CB VAL A 83 11.969 7.506 -9.682 1.00 0.00 C ATOM 1089 CG1 VAL A 83 12.435 6.060 -9.604 1.00 0.00 C ATOM 1090 CG2 VAL A 83 12.724 8.258 -10.768 1.00 0.00 C ATOM 0 H VAL A 83 10.610 9.601 -9.375 1.00 0.00 H new ATOM 0 HA VAL A 83 10.223 7.204 -10.922 1.00 0.00 H new ATOM 0 HB VAL A 83 12.183 7.977 -8.723 1.00 0.00 H new ATOM 0 HG11 VAL A 83 13.511 6.033 -9.431 1.00 0.00 H new ATOM 0 HG12 VAL A 83 11.923 5.556 -8.784 1.00 0.00 H new ATOM 0 HG13 VAL A 83 12.206 5.553 -10.541 1.00 0.00 H new ATOM 0 HG21 VAL A 83 13.795 8.190 -10.580 1.00 0.00 H new ATOM 0 HG22 VAL A 83 12.498 7.819 -11.739 1.00 0.00 H new ATOM 0 HG23 VAL A 83 12.421 9.305 -10.764 1.00 0.00 H new ATOM 1100 N PRO A 84 9.346 5.491 -9.252 1.00 0.00 N ATOM 1101 CA PRO A 84 8.645 4.580 -8.341 1.00 0.00 C ATOM 1102 C PRO A 84 9.457 4.282 -7.084 1.00 0.00 C ATOM 1103 O PRO A 84 10.077 3.225 -6.968 1.00 0.00 O ATOM 1104 CB PRO A 84 8.459 3.302 -9.170 1.00 0.00 C ATOM 1105 CG PRO A 84 8.595 3.738 -10.587 1.00 0.00 C ATOM 1106 CD PRO A 84 9.570 4.880 -10.573 1.00 0.00 C ATOM 0 HA PRO A 84 7.708 5.009 -7.985 1.00 0.00 H new ATOM 0 HB2 PRO A 84 9.208 2.553 -8.914 1.00 0.00 H new ATOM 0 HB3 PRO A 84 7.483 2.852 -8.988 1.00 0.00 H new ATOM 0 HG2 PRO A 84 8.957 2.923 -11.214 1.00 0.00 H new ATOM 0 HG3 PRO A 84 7.633 4.050 -10.994 1.00 0.00 H new ATOM 0 HD2 PRO A 84 10.597 4.535 -10.689 1.00 0.00 H new ATOM 0 HD3 PRO A 84 9.377 5.585 -11.382 1.00 0.00 H new ATOM 1114 N VAL A 85 9.445 5.219 -6.142 1.00 0.00 N ATOM 1115 CA VAL A 85 10.178 5.056 -4.895 1.00 0.00 C ATOM 1116 C VAL A 85 9.402 4.170 -3.926 1.00 0.00 C ATOM 1117 O VAL A 85 8.203 4.360 -3.723 1.00 0.00 O ATOM 1118 CB VAL A 85 10.461 6.416 -4.229 1.00 0.00 C ATOM 1119 CG1 VAL A 85 11.327 6.239 -2.990 1.00 0.00 C ATOM 1120 CG2 VAL A 85 11.120 7.366 -5.220 1.00 0.00 C ATOM 0 H VAL A 85 8.935 6.099 -6.220 1.00 0.00 H new ATOM 0 HA VAL A 85 11.129 4.581 -5.137 1.00 0.00 H new ATOM 0 HB VAL A 85 9.512 6.851 -3.917 1.00 0.00 H new ATOM 0 HG11 VAL A 85 11.515 7.212 -2.535 1.00 0.00 H new ATOM 0 HG12 VAL A 85 10.812 5.597 -2.275 1.00 0.00 H new ATOM 0 HG13 VAL A 85 12.275 5.781 -3.271 1.00 0.00 H new ATOM 0 HG21 VAL A 85 11.313 8.322 -4.734 1.00 0.00 H new ATOM 0 HG22 VAL A 85 12.061 6.937 -5.564 1.00 0.00 H new ATOM 0 HG23 VAL A 85 10.458 7.520 -6.072 1.00 0.00 H new ATOM 1130 N THR A 86 10.089 3.193 -3.341 1.00 0.00 N ATOM 1131 CA THR A 86 9.453 2.272 -2.406 1.00 0.00 C ATOM 1132 C THR A 86 9.922 2.510 -0.973 1.00 0.00 C ATOM 1133 O THR A 86 11.015 3.025 -0.739 1.00 0.00 O ATOM 1134 CB THR A 86 9.741 0.825 -2.811 1.00 0.00 C ATOM 1135 OG1 THR A 86 10.100 0.748 -4.179 1.00 0.00 O ATOM 1136 CG2 THR A 86 8.565 -0.102 -2.593 1.00 0.00 C ATOM 0 H THR A 86 11.082 3.019 -3.497 1.00 0.00 H new ATOM 0 HA THR A 86 8.379 2.455 -2.444 1.00 0.00 H new ATOM 0 HB THR A 86 10.561 0.504 -2.169 1.00 0.00 H new ATOM 0 HG1 THR A 86 10.282 -0.185 -4.417 1.00 0.00 H new ATOM 0 HG21 THR A 86 8.836 -1.112 -2.900 1.00 0.00 H new ATOM 0 HG22 THR A 86 8.294 -0.104 -1.537 1.00 0.00 H new ATOM 0 HG23 THR A 86 7.716 0.242 -3.184 1.00 0.00 H new ATOM 1144 N TYR A 87 9.082 2.116 -0.022 1.00 0.00 N ATOM 1145 CA TYR A 87 9.389 2.266 1.396 1.00 0.00 C ATOM 1146 C TYR A 87 8.993 0.999 2.150 1.00 0.00 C ATOM 1147 O TYR A 87 8.023 0.338 1.788 1.00 0.00 O ATOM 1148 CB TYR A 87 8.655 3.484 1.971 1.00 0.00 C ATOM 1149 CG TYR A 87 8.517 3.468 3.479 1.00 0.00 C ATOM 1150 CD1 TYR A 87 9.635 3.530 4.300 1.00 0.00 C ATOM 1151 CD2 TYR A 87 7.266 3.389 4.078 1.00 0.00 C ATOM 1152 CE1 TYR A 87 9.511 3.513 5.677 1.00 0.00 C ATOM 1153 CE2 TYR A 87 7.133 3.373 5.453 1.00 0.00 C ATOM 1154 CZ TYR A 87 8.259 3.435 6.248 1.00 0.00 C ATOM 1155 OH TYR A 87 8.131 3.418 7.618 1.00 0.00 O ATOM 0 H TYR A 87 8.176 1.687 -0.210 1.00 0.00 H new ATOM 0 HA TYR A 87 10.461 2.423 1.513 1.00 0.00 H new ATOM 0 HB2 TYR A 87 9.187 4.388 1.675 1.00 0.00 H new ATOM 0 HB3 TYR A 87 7.661 3.539 1.527 1.00 0.00 H new ATOM 0 HD1 TYR A 87 10.617 3.593 3.856 1.00 0.00 H new ATOM 0 HD2 TYR A 87 6.383 3.339 3.458 1.00 0.00 H new ATOM 0 HE1 TYR A 87 10.391 3.561 6.302 1.00 0.00 H new ATOM 0 HE2 TYR A 87 6.153 3.312 5.903 1.00 0.00 H new ATOM 0 HH TYR A 87 7.182 3.361 7.857 1.00 0.00 H new ATOM 1165 N VAL A 88 9.750 0.662 3.190 1.00 0.00 N ATOM 1166 CA VAL A 88 9.472 -0.534 3.979 1.00 0.00 C ATOM 1167 C VAL A 88 8.648 -0.205 5.222 1.00 0.00 C ATOM 1168 O VAL A 88 8.897 0.792 5.899 1.00 0.00 O ATOM 1169 CB VAL A 88 10.772 -1.235 4.413 1.00 0.00 C ATOM 1170 CG1 VAL A 88 10.468 -2.581 5.053 1.00 0.00 C ATOM 1171 CG2 VAL A 88 11.711 -1.402 3.228 1.00 0.00 C ATOM 0 H VAL A 88 10.558 1.198 3.505 1.00 0.00 H new ATOM 0 HA VAL A 88 8.899 -1.204 3.337 1.00 0.00 H new ATOM 0 HB VAL A 88 11.267 -0.609 5.156 1.00 0.00 H new ATOM 0 HG11 VAL A 88 11.400 -3.060 5.353 1.00 0.00 H new ATOM 0 HG12 VAL A 88 9.838 -2.433 5.930 1.00 0.00 H new ATOM 0 HG13 VAL A 88 9.948 -3.216 4.336 1.00 0.00 H new ATOM 0 HG21 VAL A 88 12.624 -1.899 3.555 1.00 0.00 H new ATOM 0 HG22 VAL A 88 11.225 -2.004 2.460 1.00 0.00 H new ATOM 0 HG23 VAL A 88 11.958 -0.422 2.819 1.00 0.00 H new ATOM 1181 N GLN A 89 7.665 -1.055 5.516 1.00 0.00 N ATOM 1182 CA GLN A 89 6.803 -0.860 6.679 1.00 0.00 C ATOM 1183 C GLN A 89 6.195 -2.187 7.125 1.00 0.00 C ATOM 1184 O GLN A 89 5.412 -2.797 6.396 1.00 0.00 O ATOM 1185 CB GLN A 89 5.689 0.150 6.369 1.00 0.00 C ATOM 1186 CG GLN A 89 5.641 0.595 4.914 1.00 0.00 C ATOM 1187 CD GLN A 89 4.532 1.590 4.641 1.00 0.00 C ATOM 1188 OE1 GLN A 89 3.988 1.548 3.431 1.00 0.00 O flip ATOM 1189 NE2 GLN A 89 4.166 2.385 5.507 1.00 0.00 N flip ATOM 0 H GLN A 89 7.446 -1.885 4.965 1.00 0.00 H new ATOM 0 HA GLN A 89 7.416 -0.464 7.489 1.00 0.00 H new ATOM 0 HB2 GLN A 89 4.729 -0.292 6.635 1.00 0.00 H new ATOM 0 HB3 GLN A 89 5.822 1.027 7.002 1.00 0.00 H new ATOM 0 HG2 GLN A 89 6.598 1.041 4.643 1.00 0.00 H new ATOM 0 HG3 GLN A 89 5.505 -0.278 4.276 1.00 0.00 H new ATOM 0 HE21 GLN A 89 4.613 2.382 6.424 1.00 0.00 H new ATOM 0 HE22 GLN A 89 3.416 3.047 5.308 1.00 0.00 H new ATOM 1198 N THR A 90 6.564 -2.632 8.323 1.00 0.00 N ATOM 1199 CA THR A 90 6.057 -3.890 8.861 1.00 0.00 C ATOM 1200 C THR A 90 4.969 -3.646 9.903 1.00 0.00 C ATOM 1201 O THR A 90 5.078 -2.744 10.733 1.00 0.00 O ATOM 1202 CB THR A 90 7.198 -4.699 9.479 1.00 0.00 C ATOM 1203 OG1 THR A 90 7.916 -3.918 10.417 1.00 0.00 O ATOM 1204 CG2 THR A 90 8.188 -5.213 8.455 1.00 0.00 C ATOM 0 H THR A 90 7.212 -2.140 8.939 1.00 0.00 H new ATOM 0 HA THR A 90 5.620 -4.455 8.038 1.00 0.00 H new ATOM 0 HB THR A 90 6.720 -5.552 9.960 1.00 0.00 H new ATOM 0 HG1 THR A 90 8.640 -4.454 10.802 1.00 0.00 H new ATOM 0 HG21 THR A 90 8.972 -5.778 8.959 1.00 0.00 H new ATOM 0 HG22 THR A 90 7.674 -5.860 7.744 1.00 0.00 H new ATOM 0 HG23 THR A 90 8.632 -4.371 7.924 1.00 0.00 H new ATOM 1212 N LYS A 91 3.920 -4.462 9.853 1.00 0.00 N ATOM 1213 CA LYS A 91 2.806 -4.343 10.793 1.00 0.00 C ATOM 1214 C LYS A 91 2.007 -5.643 10.843 1.00 0.00 C ATOM 1215 O LYS A 91 2.034 -6.436 9.902 1.00 0.00 O ATOM 1216 CB LYS A 91 1.890 -3.170 10.414 1.00 0.00 C ATOM 1217 CG LYS A 91 2.324 -2.428 9.154 1.00 0.00 C ATOM 1218 CD LYS A 91 1.193 -1.598 8.559 1.00 0.00 C ATOM 1219 CE LYS A 91 -0.077 -2.415 8.382 1.00 0.00 C ATOM 1220 NZ LYS A 91 -0.971 -2.314 9.569 1.00 0.00 N ATOM 0 H LYS A 91 3.817 -5.214 9.172 1.00 0.00 H new ATOM 0 HA LYS A 91 3.219 -4.148 11.782 1.00 0.00 H new ATOM 0 HB2 LYS A 91 0.876 -3.545 10.272 1.00 0.00 H new ATOM 0 HB3 LYS A 91 1.856 -2.465 11.245 1.00 0.00 H new ATOM 0 HG2 LYS A 91 3.166 -1.777 9.389 1.00 0.00 H new ATOM 0 HG3 LYS A 91 2.674 -3.147 8.413 1.00 0.00 H new ATOM 0 HD2 LYS A 91 0.989 -0.745 9.207 1.00 0.00 H new ATOM 0 HD3 LYS A 91 1.505 -1.198 7.594 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -0.610 -2.071 7.496 1.00 0.00 H new ATOM 0 HE3 LYS A 91 0.184 -3.460 8.211 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -1.480 -3.212 9.698 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -0.402 -2.114 10.416 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -1.657 -1.546 9.423 1.00 0.00 H new ATOM 1234 N THR A 92 1.306 -5.863 11.952 1.00 0.00 N ATOM 1235 CA THR A 92 0.513 -7.075 12.129 1.00 0.00 C ATOM 1236 C THR A 92 -0.918 -6.895 11.628 1.00 0.00 C ATOM 1237 O THR A 92 -1.606 -5.948 12.009 1.00 0.00 O ATOM 1238 CB THR A 92 0.500 -7.483 13.602 1.00 0.00 C ATOM 1239 OG1 THR A 92 0.274 -6.358 14.431 1.00 0.00 O ATOM 1240 CG2 THR A 92 1.790 -8.134 14.050 1.00 0.00 C ATOM 0 H THR A 92 1.271 -5.218 12.741 1.00 0.00 H new ATOM 0 HA THR A 92 0.978 -7.862 11.535 1.00 0.00 H new ATOM 0 HB THR A 92 -0.307 -8.209 13.696 1.00 0.00 H new ATOM 0 HG1 THR A 92 -0.442 -5.809 14.049 1.00 0.00 H new ATOM 0 HG21 THR A 92 1.716 -8.400 15.105 1.00 0.00 H new ATOM 0 HG22 THR A 92 1.967 -9.034 13.461 1.00 0.00 H new ATOM 0 HG23 THR A 92 2.617 -7.438 13.908 1.00 0.00 H new ATOM 1248 N LEU A 93 -1.364 -7.823 10.783 1.00 0.00 N ATOM 1249 CA LEU A 93 -2.718 -7.783 10.240 1.00 0.00 C ATOM 1250 C LEU A 93 -3.500 -9.020 10.669 1.00 0.00 C ATOM 1251 O LEU A 93 -2.917 -10.071 10.939 1.00 0.00 O ATOM 1252 CB LEU A 93 -2.698 -7.697 8.709 1.00 0.00 C ATOM 1253 CG LEU A 93 -1.592 -6.832 8.090 1.00 0.00 C ATOM 1254 CD1 LEU A 93 -1.277 -5.624 8.958 1.00 0.00 C ATOM 1255 CD2 LEU A 93 -0.339 -7.656 7.851 1.00 0.00 C ATOM 0 H LEU A 93 -0.805 -8.613 10.460 1.00 0.00 H new ATOM 0 HA LEU A 93 -3.206 -6.891 10.633 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -2.605 -8.707 8.311 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -3.661 -7.311 8.376 1.00 0.00 H new ATOM 0 HG LEU A 93 -1.958 -6.466 7.131 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -0.489 -5.034 8.489 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -2.172 -5.012 9.068 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -0.943 -5.959 9.940 1.00 0.00 H new ATOM 0 HD21 LEU A 93 0.433 -7.025 7.412 1.00 0.00 H new ATOM 0 HD22 LEU A 93 0.018 -8.059 8.799 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -0.567 -8.476 7.171 1.00 0.00 H new ATOM 1267 N SER A 94 -4.822 -8.893 10.726 1.00 0.00 N ATOM 1268 CA SER A 94 -5.676 -10.007 11.119 1.00 0.00 C ATOM 1269 C SER A 94 -6.375 -10.614 9.908 1.00 0.00 C ATOM 1270 O SER A 94 -6.446 -10.001 8.844 1.00 0.00 O ATOM 1271 CB SER A 94 -6.718 -9.554 12.141 1.00 0.00 C ATOM 1272 OG SER A 94 -7.144 -8.226 11.887 1.00 0.00 O ATOM 0 H SER A 94 -5.323 -8.032 10.506 1.00 0.00 H new ATOM 0 HA SER A 94 -5.040 -10.767 11.573 1.00 0.00 H new ATOM 0 HB2 SER A 94 -7.576 -10.226 12.111 1.00 0.00 H new ATOM 0 HB3 SER A 94 -6.298 -9.618 13.145 1.00 0.00 H new ATOM 0 HG SER A 94 -7.884 -8.237 11.245 1.00 0.00 H new ATOM 1278 N ALA A 95 -6.891 -11.824 10.083 1.00 0.00 N ATOM 1279 CA ALA A 95 -7.588 -12.524 9.015 1.00 0.00 C ATOM 1280 C ALA A 95 -8.969 -11.926 8.776 1.00 0.00 C ATOM 1281 O ALA A 95 -9.651 -11.520 9.718 1.00 0.00 O ATOM 1282 CB ALA A 95 -7.700 -14.002 9.352 1.00 0.00 C ATOM 0 H ALA A 95 -6.839 -12.342 10.960 1.00 0.00 H new ATOM 0 HA ALA A 95 -7.012 -12.411 8.096 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -8.223 -14.520 8.548 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -6.702 -14.425 9.468 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -8.255 -14.122 10.282 1.00 0.00 H new ATOM 1288 N GLY A 96 -9.378 -11.872 7.513 1.00 0.00 N ATOM 1289 CA GLY A 96 -10.679 -11.321 7.176 1.00 0.00 C ATOM 1290 C GLY A 96 -10.584 -10.148 6.221 1.00 0.00 C ATOM 1291 O GLY A 96 -9.730 -10.127 5.335 1.00 0.00 O ATOM 0 H GLY A 96 -8.832 -12.200 6.716 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -11.295 -12.101 6.728 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -11.182 -11.002 8.089 1.00 0.00 H new ATOM 1295 N ASN A 97 -11.465 -9.168 6.400 1.00 0.00 N ATOM 1296 CA ASN A 97 -11.478 -7.986 5.546 1.00 0.00 C ATOM 1297 C ASN A 97 -10.907 -6.777 6.279 1.00 0.00 C ATOM 1298 O ASN A 97 -11.227 -6.536 7.443 1.00 0.00 O ATOM 1299 CB ASN A 97 -12.903 -7.687 5.077 1.00 0.00 C ATOM 1300 CG ASN A 97 -13.896 -7.667 6.222 1.00 0.00 C ATOM 1301 OD1 ASN A 97 -14.372 -8.845 6.610 1.00 0.00 O flip ATOM 1302 ND2 ASN A 97 -14.232 -6.608 6.751 1.00 0.00 N flip ATOM 0 H ASN A 97 -12.179 -9.170 7.129 1.00 0.00 H new ATOM 0 HA ASN A 97 -10.851 -8.189 4.678 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -12.920 -6.723 4.568 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -13.208 -8.438 4.348 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -13.841 -5.726 6.420 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -14.902 -6.612 7.520 1.00 0.00 H new ATOM 1309 N HIS A 98 -10.061 -6.019 5.589 1.00 0.00 N ATOM 1310 CA HIS A 98 -9.446 -4.833 6.174 1.00 0.00 C ATOM 1311 C HIS A 98 -9.345 -3.711 5.147 1.00 0.00 C ATOM 1312 O HIS A 98 -9.565 -3.926 3.955 1.00 0.00 O ATOM 1313 CB HIS A 98 -8.056 -5.170 6.718 1.00 0.00 C ATOM 1314 CG HIS A 98 -8.078 -5.724 8.109 1.00 0.00 C ATOM 1315 ND1 HIS A 98 -7.673 -5.185 9.285 1.00 0.00 N flip ATOM 1316 CD2 HIS A 98 -8.560 -6.979 8.411 1.00 0.00 C flip ATOM 1317 CE1 HIS A 98 -7.917 -6.117 10.264 1.00 0.00 C flip ATOM 1318 NE2 HIS A 98 -8.452 -7.189 9.711 1.00 0.00 N flip ATOM 0 H HIS A 98 -9.786 -6.205 4.625 1.00 0.00 H new ATOM 0 HA HIS A 98 -10.077 -4.493 6.995 1.00 0.00 H new ATOM 0 HB2 HIS A 98 -7.580 -5.893 6.055 1.00 0.00 H new ATOM 0 HB3 HIS A 98 -7.441 -4.270 6.703 1.00 0.00 H new ATOM 0 HD1 HIS A 98 -7.264 -4.260 9.418 1.00 0.00 H new ATOM 0 HD2 HIS A 98 -8.963 -7.681 7.697 1.00 0.00 H new ATOM 0 HE1 HIS A 98 -7.705 -5.993 11.316 1.00 0.00 H new ATOM 1327 N SER A 99 -9.013 -2.512 5.616 1.00 0.00 N ATOM 1328 CA SER A 99 -8.885 -1.355 4.736 1.00 0.00 C ATOM 1329 C SER A 99 -7.457 -0.821 4.738 1.00 0.00 C ATOM 1330 O SER A 99 -6.927 -0.438 5.781 1.00 0.00 O ATOM 1331 CB SER A 99 -9.854 -0.253 5.168 1.00 0.00 C ATOM 1332 OG SER A 99 -9.519 0.985 4.564 1.00 0.00 O ATOM 0 H SER A 99 -8.828 -2.316 6.600 1.00 0.00 H new ATOM 0 HA SER A 99 -9.131 -1.672 3.723 1.00 0.00 H new ATOM 0 HB2 SER A 99 -10.872 -0.531 4.894 1.00 0.00 H new ATOM 0 HB3 SER A 99 -9.832 -0.150 6.253 1.00 0.00 H new ATOM 0 HG SER A 99 -10.154 1.673 4.854 1.00 0.00 H new ATOM 1338 N PHE A 100 -6.840 -0.796 3.561 1.00 0.00 N ATOM 1339 CA PHE A 100 -5.472 -0.305 3.422 1.00 0.00 C ATOM 1340 C PHE A 100 -5.428 0.891 2.477 1.00 0.00 C ATOM 1341 O PHE A 100 -6.283 1.029 1.603 1.00 0.00 O ATOM 1342 CB PHE A 100 -4.560 -1.418 2.903 1.00 0.00 C ATOM 1343 CG PHE A 100 -4.105 -2.370 3.973 1.00 0.00 C ATOM 1344 CD1 PHE A 100 -4.938 -3.385 4.415 1.00 0.00 C ATOM 1345 CD2 PHE A 100 -2.844 -2.250 4.536 1.00 0.00 C ATOM 1346 CE1 PHE A 100 -4.524 -4.263 5.398 1.00 0.00 C ATOM 1347 CE2 PHE A 100 -2.424 -3.125 5.520 1.00 0.00 C ATOM 1348 CZ PHE A 100 -3.264 -4.132 5.951 1.00 0.00 C ATOM 0 H PHE A 100 -7.265 -1.110 2.689 1.00 0.00 H new ATOM 0 HA PHE A 100 -5.118 0.012 4.403 1.00 0.00 H new ATOM 0 HB2 PHE A 100 -5.087 -1.978 2.130 1.00 0.00 H new ATOM 0 HB3 PHE A 100 -3.686 -0.970 2.431 1.00 0.00 H new ATOM 0 HD1 PHE A 100 -5.923 -3.491 3.986 1.00 0.00 H new ATOM 0 HD2 PHE A 100 -2.183 -1.464 4.202 1.00 0.00 H new ATOM 0 HE1 PHE A 100 -5.183 -5.050 5.734 1.00 0.00 H new ATOM 0 HE2 PHE A 100 -1.439 -3.021 5.951 1.00 0.00 H new ATOM 0 HZ PHE A 100 -2.937 -4.817 6.719 1.00 0.00 H new ATOM 1358 N GLY A 101 -4.434 1.758 2.654 1.00 0.00 N ATOM 1359 CA GLY A 101 -4.325 2.923 1.797 1.00 0.00 C ATOM 1360 C GLY A 101 -3.472 4.032 2.387 1.00 0.00 C ATOM 1361 O GLY A 101 -2.685 3.812 3.309 1.00 0.00 O ATOM 0 H GLY A 101 -3.710 1.675 3.368 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -3.902 2.621 0.839 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -5.324 3.311 1.596 1.00 0.00 H new ATOM 1365 N VAL A 102 -3.638 5.230 1.843 1.00 0.00 N ATOM 1366 CA VAL A 102 -2.896 6.400 2.296 1.00 0.00 C ATOM 1367 C VAL A 102 -3.775 7.643 2.199 1.00 0.00 C ATOM 1368 O VAL A 102 -4.253 7.986 1.121 1.00 0.00 O ATOM 1369 CB VAL A 102 -1.601 6.620 1.470 1.00 0.00 C ATOM 1370 CG1 VAL A 102 -0.380 6.490 2.356 1.00 0.00 C ATOM 1371 CG2 VAL A 102 -1.502 5.636 0.313 1.00 0.00 C ATOM 0 H VAL A 102 -4.287 5.418 1.079 1.00 0.00 H new ATOM 0 HA VAL A 102 -2.609 6.224 3.333 1.00 0.00 H new ATOM 0 HB VAL A 102 -1.643 7.628 1.058 1.00 0.00 H new ATOM 0 HG11 VAL A 102 0.520 6.647 1.761 1.00 0.00 H new ATOM 0 HG12 VAL A 102 -0.425 7.236 3.149 1.00 0.00 H new ATOM 0 HG13 VAL A 102 -0.354 5.493 2.796 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -0.583 5.820 -0.243 1.00 0.00 H new ATOM 0 HG22 VAL A 102 -1.494 4.618 0.701 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -2.358 5.765 -0.349 1.00 0.00 H new ATOM 1381 N ARG A 103 -4.007 8.309 3.326 1.00 0.00 N ATOM 1382 CA ARG A 103 -4.854 9.497 3.330 1.00 0.00 C ATOM 1383 C ARG A 103 -4.138 10.703 3.929 1.00 0.00 C ATOM 1384 O ARG A 103 -2.978 10.618 4.333 1.00 0.00 O ATOM 1385 CB ARG A 103 -6.163 9.217 4.080 1.00 0.00 C ATOM 1386 CG ARG A 103 -6.054 9.297 5.598 1.00 0.00 C ATOM 1387 CD ARG A 103 -7.095 10.244 6.177 1.00 0.00 C ATOM 1388 NE ARG A 103 -7.561 9.814 7.494 1.00 0.00 N ATOM 1389 CZ ARG A 103 -7.030 10.225 8.645 1.00 0.00 C ATOM 1390 NH1 ARG A 103 -5.997 11.059 8.652 1.00 0.00 N ATOM 1391 NH2 ARG A 103 -7.533 9.796 9.795 1.00 0.00 N ATOM 0 H ARG A 103 -3.626 8.051 4.237 1.00 0.00 H new ATOM 0 HA ARG A 103 -5.086 9.740 2.293 1.00 0.00 H new ATOM 0 HB2 ARG A 103 -6.918 9.929 3.745 1.00 0.00 H new ATOM 0 HB3 ARG A 103 -6.518 8.223 3.806 1.00 0.00 H new ATOM 0 HG2 ARG A 103 -6.184 8.304 6.027 1.00 0.00 H new ATOM 0 HG3 ARG A 103 -5.056 9.636 5.876 1.00 0.00 H new ATOM 0 HD2 ARG A 103 -6.671 11.245 6.253 1.00 0.00 H new ATOM 0 HD3 ARG A 103 -7.944 10.308 5.496 1.00 0.00 H new ATOM 0 HE ARG A 103 -8.341 9.158 7.535 1.00 0.00 H new ATOM 0 HH11 ARG A 103 -5.603 11.391 7.771 1.00 0.00 H new ATOM 0 HH12 ARG A 103 -5.597 11.368 9.538 1.00 0.00 H new ATOM 0 HH21 ARG A 103 -8.325 9.153 9.797 1.00 0.00 H new ATOM 0 HH22 ARG A 103 -7.128 10.109 10.677 1.00 0.00 H new ATOM 1405 N VAL A 104 -4.845 11.826 3.970 1.00 0.00 N ATOM 1406 CA VAL A 104 -4.296 13.065 4.506 1.00 0.00 C ATOM 1407 C VAL A 104 -4.937 13.417 5.845 1.00 0.00 C ATOM 1408 O VAL A 104 -6.160 13.394 5.985 1.00 0.00 O ATOM 1409 CB VAL A 104 -4.507 14.229 3.518 1.00 0.00 C ATOM 1410 CG1 VAL A 104 -3.923 15.523 4.067 1.00 0.00 C ATOM 1411 CG2 VAL A 104 -3.904 13.889 2.162 1.00 0.00 C ATOM 0 H VAL A 104 -5.806 11.904 3.636 1.00 0.00 H new ATOM 0 HA VAL A 104 -3.228 12.910 4.656 1.00 0.00 H new ATOM 0 HB VAL A 104 -5.579 14.379 3.388 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -4.085 16.328 3.351 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -4.411 15.772 5.009 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -2.853 15.397 4.235 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -4.061 14.721 1.475 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -2.835 13.708 2.274 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -4.384 12.995 1.764 1.00 0.00 H new ATOM 1421 N GLY A 105 -4.103 13.749 6.825 1.00 0.00 N ATOM 1422 CA GLY A 105 -4.606 14.106 8.139 1.00 0.00 C ATOM 1423 C GLY A 105 -4.770 15.604 8.307 1.00 0.00 C ATOM 1424 O GLY A 105 -4.472 16.373 7.394 1.00 0.00 O ATOM 0 H GLY A 105 -3.088 13.777 6.733 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -5.567 13.617 8.303 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -3.923 13.730 8.901 1.00 0.00 H new ATOM 1428 N SER A 106 -5.244 16.020 9.478 1.00 0.00 N ATOM 1429 CA SER A 106 -5.445 17.436 9.759 1.00 0.00 C ATOM 1430 C SER A 106 -4.127 18.116 10.115 1.00 0.00 C ATOM 1431 O SER A 106 -3.785 19.160 9.559 1.00 0.00 O ATOM 1432 CB SER A 106 -6.447 17.615 10.901 1.00 0.00 C ATOM 1433 OG SER A 106 -7.742 17.185 10.515 1.00 0.00 O ATOM 0 H SER A 106 -5.495 15.397 10.246 1.00 0.00 H new ATOM 0 HA SER A 106 -5.842 17.904 8.858 1.00 0.00 H new ATOM 0 HB2 SER A 106 -6.116 17.048 11.771 1.00 0.00 H new ATOM 0 HB3 SER A 106 -6.482 18.663 11.198 1.00 0.00 H new ATOM 0 HG SER A 106 -8.364 17.308 11.262 1.00 0.00 H new ATOM 1439 N SER A 107 -3.390 17.519 11.048 1.00 0.00 N ATOM 1440 CA SER A 107 -2.112 18.067 11.478 1.00 0.00 C ATOM 1441 C SER A 107 -1.026 17.806 10.439 1.00 0.00 C ATOM 1442 O SER A 107 -0.075 18.577 10.313 1.00 0.00 O ATOM 1443 CB SER A 107 -1.702 17.466 12.823 1.00 0.00 C ATOM 1444 OG SER A 107 -0.857 18.350 13.541 1.00 0.00 O ATOM 0 H SER A 107 -3.658 16.655 11.519 1.00 0.00 H new ATOM 0 HA SER A 107 -2.229 19.145 11.589 1.00 0.00 H new ATOM 0 HB2 SER A 107 -2.592 17.248 13.414 1.00 0.00 H new ATOM 0 HB3 SER A 107 -1.188 16.519 12.660 1.00 0.00 H new ATOM 0 HG SER A 107 -0.610 17.943 14.398 1.00 0.00 H new ATOM 1450 N ASP A 108 -1.174 16.713 9.697 1.00 0.00 N ATOM 1451 CA ASP A 108 -0.207 16.349 8.668 1.00 0.00 C ATOM 1452 C ASP A 108 -0.887 16.230 7.308 1.00 0.00 C ATOM 1453 O ASP A 108 -1.535 15.225 7.015 1.00 0.00 O ATOM 1454 CB ASP A 108 0.475 15.028 9.028 1.00 0.00 C ATOM 1455 CG ASP A 108 1.226 15.103 10.342 1.00 0.00 C ATOM 1456 OD1 ASP A 108 0.925 16.010 11.146 1.00 0.00 O ATOM 1457 OD2 ASP A 108 2.117 14.257 10.566 1.00 0.00 O ATOM 0 H ASP A 108 -1.955 16.064 9.789 1.00 0.00 H new ATOM 0 HA ASP A 108 0.546 17.135 8.612 1.00 0.00 H new ATOM 0 HB2 ASP A 108 -0.275 14.239 9.086 1.00 0.00 H new ATOM 0 HB3 ASP A 108 1.167 14.751 8.233 1.00 0.00 H new ATOM 1462 N TRP A 109 -0.740 17.261 6.482 1.00 0.00 N ATOM 1463 CA TRP A 109 -1.349 17.263 5.157 1.00 0.00 C ATOM 1464 C TRP A 109 -0.305 17.475 4.064 1.00 0.00 C ATOM 1465 O TRP A 109 0.651 18.230 4.238 1.00 0.00 O ATOM 1466 CB TRP A 109 -2.429 18.344 5.070 1.00 0.00 C ATOM 1467 CG TRP A 109 -1.890 19.741 5.156 1.00 0.00 C ATOM 1468 CD1 TRP A 109 -1.643 20.589 4.115 1.00 0.00 C ATOM 1469 CD2 TRP A 109 -1.533 20.451 6.347 1.00 0.00 C ATOM 1470 NE1 TRP A 109 -1.155 21.784 4.586 1.00 0.00 N ATOM 1471 CE2 TRP A 109 -1.078 21.724 5.953 1.00 0.00 C ATOM 1472 CE3 TRP A 109 -1.555 20.135 7.709 1.00 0.00 C ATOM 1473 CZ2 TRP A 109 -0.649 22.678 6.872 1.00 0.00 C ATOM 1474 CZ3 TRP A 109 -1.129 21.084 8.619 1.00 0.00 C ATOM 1475 CH2 TRP A 109 -0.682 22.343 8.197 1.00 0.00 C ATOM 0 H TRP A 109 -0.207 18.102 6.705 1.00 0.00 H new ATOM 0 HA TRP A 109 -1.807 16.287 5.000 1.00 0.00 H new ATOM 0 HB2 TRP A 109 -2.970 18.230 4.131 1.00 0.00 H new ATOM 0 HB3 TRP A 109 -3.149 18.191 5.874 1.00 0.00 H new ATOM 0 HD1 TRP A 109 -1.807 20.355 3.074 1.00 0.00 H new ATOM 0 HE1 TRP A 109 -0.893 22.585 4.012 1.00 0.00 H new ATOM 0 HE3 TRP A 109 -1.899 19.167 8.044 1.00 0.00 H new ATOM 0 HZ2 TRP A 109 -0.302 23.649 6.549 1.00 0.00 H new ATOM 0 HZ3 TRP A 109 -1.141 20.851 9.674 1.00 0.00 H new ATOM 0 HH2 TRP A 109 -0.357 23.063 8.933 1.00 0.00 H new ATOM 1486 N GLY A 110 -0.504 16.800 2.936 1.00 0.00 N ATOM 1487 CA GLY A 110 0.415 16.916 1.820 1.00 0.00 C ATOM 1488 C GLY A 110 -0.126 16.256 0.567 1.00 0.00 C ATOM 1489 O GLY A 110 -0.532 15.094 0.598 1.00 0.00 O ATOM 0 H GLY A 110 -1.291 16.171 2.775 1.00 0.00 H new ATOM 0 HA2 GLY A 110 0.610 17.969 1.619 1.00 0.00 H new ATOM 0 HA3 GLY A 110 1.369 16.460 2.087 1.00 0.00 H new ATOM 1493 N TYR A 111 -0.138 16.994 -0.537 1.00 0.00 N ATOM 1494 CA TYR A 111 -0.641 16.461 -1.800 1.00 0.00 C ATOM 1495 C TYR A 111 0.314 15.412 -2.358 1.00 0.00 C ATOM 1496 O TYR A 111 1.390 15.750 -2.851 1.00 0.00 O ATOM 1497 CB TYR A 111 -0.834 17.580 -2.834 1.00 0.00 C ATOM 1498 CG TYR A 111 -1.199 18.930 -2.245 1.00 0.00 C ATOM 1499 CD1 TYR A 111 -1.948 19.032 -1.078 1.00 0.00 C ATOM 1500 CD2 TYR A 111 -0.793 20.106 -2.866 1.00 0.00 C ATOM 1501 CE1 TYR A 111 -2.280 20.264 -0.547 1.00 0.00 C ATOM 1502 CE2 TYR A 111 -1.122 21.341 -2.342 1.00 0.00 C ATOM 1503 CZ TYR A 111 -1.865 21.415 -1.183 1.00 0.00 C ATOM 1504 OH TYR A 111 -2.194 22.644 -0.658 1.00 0.00 O ATOM 0 H TYR A 111 0.193 17.958 -0.585 1.00 0.00 H new ATOM 0 HA TYR A 111 -1.607 15.997 -1.601 1.00 0.00 H new ATOM 0 HB2 TYR A 111 0.085 17.686 -3.410 1.00 0.00 H new ATOM 0 HB3 TYR A 111 -1.615 17.280 -3.533 1.00 0.00 H new ATOM 0 HD1 TYR A 111 -2.276 18.133 -0.578 1.00 0.00 H new ATOM 0 HD2 TYR A 111 -0.210 20.053 -3.774 1.00 0.00 H new ATOM 0 HE1 TYR A 111 -2.861 20.325 0.361 1.00 0.00 H new ATOM 0 HE2 TYR A 111 -0.799 22.244 -2.838 1.00 0.00 H new ATOM 0 HH TYR A 111 -1.824 23.352 -1.226 1.00 0.00 H new ATOM 1514 N MET A 112 -0.075 14.141 -2.280 1.00 0.00 N ATOM 1515 CA MET A 112 0.775 13.065 -2.783 1.00 0.00 C ATOM 1516 C MET A 112 0.005 12.105 -3.680 1.00 0.00 C ATOM 1517 O MET A 112 -1.182 11.856 -3.469 1.00 0.00 O ATOM 1518 CB MET A 112 1.414 12.288 -1.622 1.00 0.00 C ATOM 1519 CG MET A 112 0.456 11.359 -0.883 1.00 0.00 C ATOM 1520 SD MET A 112 0.171 9.797 -1.747 1.00 0.00 S ATOM 1521 CE MET A 112 1.691 8.909 -1.411 1.00 0.00 C ATOM 0 H MET A 112 -0.961 13.834 -1.879 1.00 0.00 H new ATOM 0 HA MET A 112 1.559 13.531 -3.380 1.00 0.00 H new ATOM 0 HB2 MET A 112 2.246 11.699 -2.009 1.00 0.00 H new ATOM 0 HB3 MET A 112 1.832 13.000 -0.910 1.00 0.00 H new ATOM 0 HG2 MET A 112 0.856 11.150 0.109 1.00 0.00 H new ATOM 0 HG3 MET A 112 -0.497 11.868 -0.742 1.00 0.00 H new ATOM 0 HE1 MET A 112 1.772 8.058 -2.087 1.00 0.00 H new ATOM 0 HE2 MET A 112 2.542 9.574 -1.561 1.00 0.00 H new ATOM 0 HE3 MET A 112 1.685 8.555 -0.380 1.00 0.00 H new ATOM 1531 N ASN A 113 0.705 11.540 -4.658 1.00 0.00 N ATOM 1532 CA ASN A 113 0.105 10.573 -5.561 1.00 0.00 C ATOM 1533 C ASN A 113 0.364 9.170 -5.025 1.00 0.00 C ATOM 1534 O ASN A 113 1.332 8.952 -4.299 1.00 0.00 O ATOM 1535 CB ASN A 113 0.674 10.713 -6.977 1.00 0.00 C ATOM 1536 CG ASN A 113 0.425 12.081 -7.606 1.00 0.00 C ATOM 1537 OD1 ASN A 113 -0.270 12.970 -6.900 1.00 0.00 O flip ATOM 1538 ND2 ASN A 113 0.861 12.336 -8.730 1.00 0.00 N flip ATOM 0 H ASN A 113 1.689 11.737 -4.843 1.00 0.00 H new ATOM 0 HA ASN A 113 -0.968 10.757 -5.616 1.00 0.00 H new ATOM 0 HB2 ASN A 113 1.748 10.526 -6.948 1.00 0.00 H new ATOM 0 HB3 ASN A 113 0.234 9.945 -7.613 1.00 0.00 H new ATOM 0 HD21 ASN A 113 1.390 11.631 -9.244 1.00 0.00 H new ATOM 0 HD22 ASN A 113 0.693 13.252 -9.147 1.00 0.00 H new ATOM 1545 N VAL A 114 -0.505 8.229 -5.357 1.00 0.00 N ATOM 1546 CA VAL A 114 -0.356 6.865 -4.869 1.00 0.00 C ATOM 1547 C VAL A 114 -0.255 5.857 -6.014 1.00 0.00 C ATOM 1548 O VAL A 114 -1.212 5.635 -6.750 1.00 0.00 O ATOM 1549 CB VAL A 114 -1.529 6.511 -3.935 1.00 0.00 C ATOM 1550 CG1 VAL A 114 -1.695 5.010 -3.778 1.00 0.00 C ATOM 1551 CG2 VAL A 114 -1.323 7.170 -2.584 1.00 0.00 C ATOM 0 H VAL A 114 -1.315 8.381 -5.958 1.00 0.00 H new ATOM 0 HA VAL A 114 0.578 6.809 -4.310 1.00 0.00 H new ATOM 0 HB VAL A 114 -2.446 6.889 -4.386 1.00 0.00 H new ATOM 0 HG11 VAL A 114 -2.533 4.804 -3.112 1.00 0.00 H new ATOM 0 HG12 VAL A 114 -1.888 4.561 -4.753 1.00 0.00 H new ATOM 0 HG13 VAL A 114 -0.784 4.585 -3.357 1.00 0.00 H new ATOM 0 HG21 VAL A 114 -2.154 6.918 -1.926 1.00 0.00 H new ATOM 0 HG22 VAL A 114 -0.391 6.815 -2.144 1.00 0.00 H new ATOM 0 HG23 VAL A 114 -1.275 8.252 -2.710 1.00 0.00 H new ATOM 1561 N HIS A 115 0.916 5.244 -6.144 1.00 0.00 N ATOM 1562 CA HIS A 115 1.159 4.256 -7.189 1.00 0.00 C ATOM 1563 C HIS A 115 0.457 2.951 -6.890 1.00 0.00 C ATOM 1564 O HIS A 115 -0.344 2.474 -7.693 1.00 0.00 O ATOM 1565 CB HIS A 115 2.660 4.012 -7.354 1.00 0.00 C ATOM 1566 CG HIS A 115 3.021 3.366 -8.656 1.00 0.00 C ATOM 1567 ND1 HIS A 115 4.228 3.570 -9.289 1.00 0.00 N ATOM 1568 CD2 HIS A 115 2.323 2.514 -9.444 1.00 0.00 C ATOM 1569 CE1 HIS A 115 4.258 2.872 -10.411 1.00 0.00 C ATOM 1570 NE2 HIS A 115 3.114 2.223 -10.527 1.00 0.00 N ATOM 0 H HIS A 115 1.716 5.415 -5.535 1.00 0.00 H new ATOM 0 HA HIS A 115 0.755 4.655 -8.120 1.00 0.00 H new ATOM 0 HB2 HIS A 115 3.186 4.963 -7.271 1.00 0.00 H new ATOM 0 HB3 HIS A 115 3.010 3.382 -6.536 1.00 0.00 H new ATOM 0 HD2 HIS A 115 1.330 2.135 -9.255 1.00 0.00 H new ATOM 0 HE1 HIS A 115 5.078 2.838 -11.113 1.00 0.00 H new ATOM 0 HE2 HIS A 115 2.859 1.605 -11.297 1.00 0.00 H new ATOM 1579 N SER A 116 0.768 2.357 -5.749 1.00 0.00 N ATOM 1580 CA SER A 116 0.162 1.089 -5.393 1.00 0.00 C ATOM 1581 C SER A 116 0.630 0.606 -4.020 1.00 0.00 C ATOM 1582 O SER A 116 1.771 0.846 -3.617 1.00 0.00 O ATOM 1583 CB SER A 116 0.506 0.065 -6.474 1.00 0.00 C ATOM 1584 OG SER A 116 1.629 -0.720 -6.109 1.00 0.00 O ATOM 0 H SER A 116 1.427 2.727 -5.064 1.00 0.00 H new ATOM 0 HA SER A 116 -0.919 1.216 -5.331 1.00 0.00 H new ATOM 0 HB2 SER A 116 -0.352 -0.584 -6.647 1.00 0.00 H new ATOM 0 HB3 SER A 116 0.711 0.580 -7.412 1.00 0.00 H new ATOM 0 HG SER A 116 1.822 -1.366 -6.820 1.00 0.00 H new ATOM 1590 N LEU A 117 -0.263 -0.083 -3.317 1.00 0.00 N ATOM 1591 CA LEU A 117 0.039 -0.620 -1.996 1.00 0.00 C ATOM 1592 C LEU A 117 0.432 -2.092 -2.116 1.00 0.00 C ATOM 1593 O LEU A 117 -0.272 -2.876 -2.750 1.00 0.00 O ATOM 1594 CB LEU A 117 -1.181 -0.470 -1.077 1.00 0.00 C ATOM 1595 CG LEU A 117 -0.939 0.312 0.225 1.00 0.00 C ATOM 1596 CD1 LEU A 117 -1.645 1.661 0.183 1.00 0.00 C ATOM 1597 CD2 LEU A 117 -1.406 -0.493 1.433 1.00 0.00 C ATOM 0 H LEU A 117 -1.208 -0.283 -3.644 1.00 0.00 H new ATOM 0 HA LEU A 117 0.872 -0.064 -1.565 1.00 0.00 H new ATOM 0 HB2 LEU A 117 -1.975 0.025 -1.635 1.00 0.00 H new ATOM 0 HB3 LEU A 117 -1.545 -1.465 -0.820 1.00 0.00 H new ATOM 0 HG LEU A 117 0.133 0.486 0.320 1.00 0.00 H new ATOM 0 HD11 LEU A 117 -1.460 2.197 1.114 1.00 0.00 H new ATOM 0 HD12 LEU A 117 -1.264 2.245 -0.654 1.00 0.00 H new ATOM 0 HD13 LEU A 117 -2.717 1.507 0.059 1.00 0.00 H new ATOM 0 HD21 LEU A 117 -1.225 0.079 2.343 1.00 0.00 H new ATOM 0 HD22 LEU A 117 -2.472 -0.702 1.341 1.00 0.00 H new ATOM 0 HD23 LEU A 117 -0.855 -1.432 1.479 1.00 0.00 H new ATOM 1609 N LYS A 118 1.562 -2.462 -1.523 1.00 0.00 N ATOM 1610 CA LYS A 118 2.034 -3.842 -1.591 1.00 0.00 C ATOM 1611 C LYS A 118 2.044 -4.501 -0.217 1.00 0.00 C ATOM 1612 O LYS A 118 2.354 -3.862 0.789 1.00 0.00 O ATOM 1613 CB LYS A 118 3.437 -3.894 -2.199 1.00 0.00 C ATOM 1614 CG LYS A 118 3.726 -5.182 -2.952 1.00 0.00 C ATOM 1615 CD LYS A 118 4.351 -6.231 -2.045 1.00 0.00 C ATOM 1616 CE LYS A 118 5.532 -6.916 -2.713 1.00 0.00 C ATOM 1617 NZ LYS A 118 5.999 -8.098 -1.938 1.00 0.00 N ATOM 0 H LYS A 118 2.165 -1.832 -0.994 1.00 0.00 H new ATOM 0 HA LYS A 118 1.342 -4.394 -2.226 1.00 0.00 H new ATOM 0 HB2 LYS A 118 3.561 -3.050 -2.878 1.00 0.00 H new ATOM 0 HB3 LYS A 118 4.173 -3.775 -1.404 1.00 0.00 H new ATOM 0 HG2 LYS A 118 2.801 -5.572 -3.377 1.00 0.00 H new ATOM 0 HG3 LYS A 118 4.397 -4.974 -3.786 1.00 0.00 H new ATOM 0 HD2 LYS A 118 4.679 -5.762 -1.117 1.00 0.00 H new ATOM 0 HD3 LYS A 118 3.601 -6.976 -1.778 1.00 0.00 H new ATOM 0 HE2 LYS A 118 5.249 -7.229 -3.718 1.00 0.00 H new ATOM 0 HE3 LYS A 118 6.351 -6.205 -2.820 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 6.608 -8.689 -2.539 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 6.537 -7.778 -1.108 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 5.178 -8.654 -1.625 1.00 0.00 H new ATOM 1631 N LEU A 119 1.704 -5.787 -0.186 1.00 0.00 N ATOM 1632 CA LEU A 119 1.676 -6.541 1.061 1.00 0.00 C ATOM 1633 C LEU A 119 2.187 -7.965 0.845 1.00 0.00 C ATOM 1634 O LEU A 119 1.555 -8.765 0.154 1.00 0.00 O ATOM 1635 CB LEU A 119 0.256 -6.563 1.638 1.00 0.00 C ATOM 1636 CG LEU A 119 0.091 -5.805 2.957 1.00 0.00 C ATOM 1637 CD1 LEU A 119 -1.267 -5.122 3.027 1.00 0.00 C ATOM 1638 CD2 LEU A 119 0.276 -6.745 4.136 1.00 0.00 C ATOM 0 H LEU A 119 1.444 -6.327 -1.011 1.00 0.00 H new ATOM 0 HA LEU A 119 2.335 -6.047 1.775 1.00 0.00 H new ATOM 0 HB2 LEU A 119 -0.427 -6.138 0.902 1.00 0.00 H new ATOM 0 HB3 LEU A 119 -0.044 -7.600 1.790 1.00 0.00 H new ATOM 0 HG LEU A 119 0.860 -5.034 3.003 1.00 0.00 H new ATOM 0 HD11 LEU A 119 -1.359 -4.591 3.974 1.00 0.00 H new ATOM 0 HD12 LEU A 119 -1.361 -4.414 2.203 1.00 0.00 H new ATOM 0 HD13 LEU A 119 -2.055 -5.871 2.954 1.00 0.00 H new ATOM 0 HD21 LEU A 119 0.155 -6.190 5.066 1.00 0.00 H new ATOM 0 HD22 LEU A 119 -0.469 -7.539 4.088 1.00 0.00 H new ATOM 0 HD23 LEU A 119 1.274 -7.181 4.100 1.00 0.00 H new ATOM 1650 N GLU A 120 3.337 -8.270 1.442 1.00 0.00 N ATOM 1651 CA GLU A 120 3.943 -9.593 1.320 1.00 0.00 C ATOM 1652 C GLU A 120 3.817 -10.367 2.630 1.00 0.00 C ATOM 1653 O GLU A 120 3.222 -9.882 3.588 1.00 0.00 O ATOM 1654 CB GLU A 120 5.418 -9.464 0.930 1.00 0.00 C ATOM 1655 CG GLU A 120 5.915 -10.592 0.039 1.00 0.00 C ATOM 1656 CD GLU A 120 6.997 -11.425 0.699 1.00 0.00 C ATOM 1657 OE1 GLU A 120 6.650 -12.353 1.460 1.00 0.00 O ATOM 1658 OE2 GLU A 120 8.190 -11.149 0.456 1.00 0.00 O ATOM 0 H GLU A 120 3.869 -7.616 2.017 1.00 0.00 H new ATOM 0 HA GLU A 120 3.414 -10.142 0.540 1.00 0.00 H new ATOM 0 HB2 GLU A 120 5.567 -8.514 0.416 1.00 0.00 H new ATOM 0 HB3 GLU A 120 6.023 -9.435 1.836 1.00 0.00 H new ATOM 0 HG2 GLU A 120 5.077 -11.236 -0.226 1.00 0.00 H new ATOM 0 HG3 GLU A 120 6.301 -10.173 -0.890 1.00 0.00 H new ATOM 1665 N LEU A 121 4.384 -11.570 2.671 1.00 0.00 N ATOM 1666 CA LEU A 121 4.324 -12.394 3.875 1.00 0.00 C ATOM 1667 C LEU A 121 5.564 -12.187 4.746 1.00 0.00 C ATOM 1668 O LEU A 121 5.951 -13.072 5.509 1.00 0.00 O ATOM 1669 CB LEU A 121 4.184 -13.878 3.508 1.00 0.00 C ATOM 1670 CG LEU A 121 2.888 -14.556 3.972 1.00 0.00 C ATOM 1671 CD1 LEU A 121 3.025 -16.069 3.890 1.00 0.00 C ATOM 1672 CD2 LEU A 121 2.527 -14.135 5.392 1.00 0.00 C ATOM 0 H LEU A 121 4.887 -11.993 1.891 1.00 0.00 H new ATOM 0 HA LEU A 121 3.447 -12.086 4.445 1.00 0.00 H new ATOM 0 HB2 LEU A 121 4.256 -13.974 2.425 1.00 0.00 H new ATOM 0 HB3 LEU A 121 5.029 -14.420 3.933 1.00 0.00 H new ATOM 0 HG LEU A 121 2.084 -14.237 3.309 1.00 0.00 H new ATOM 0 HD11 LEU A 121 2.098 -16.537 4.222 1.00 0.00 H new ATOM 0 HD12 LEU A 121 3.230 -16.360 2.860 1.00 0.00 H new ATOM 0 HD13 LEU A 121 3.845 -16.395 4.529 1.00 0.00 H new ATOM 0 HD21 LEU A 121 1.605 -14.630 5.695 1.00 0.00 H new ATOM 0 HD22 LEU A 121 3.331 -14.418 6.071 1.00 0.00 H new ATOM 0 HD23 LEU A 121 2.387 -13.055 5.427 1.00 0.00 H new ATOM 1684 N LEU A 122 6.181 -11.013 4.630 1.00 0.00 N ATOM 1685 CA LEU A 122 7.373 -10.692 5.409 1.00 0.00 C ATOM 1686 C LEU A 122 8.456 -11.752 5.217 1.00 0.00 C ATOM 1687 O LEU A 122 8.704 -12.571 6.102 1.00 0.00 O ATOM 1688 CB LEU A 122 7.015 -10.561 6.895 1.00 0.00 C ATOM 1689 CG LEU A 122 7.591 -9.327 7.595 1.00 0.00 C ATOM 1690 CD1 LEU A 122 7.287 -9.369 9.084 1.00 0.00 C ATOM 1691 CD2 LEU A 122 9.091 -9.229 7.357 1.00 0.00 C ATOM 0 H LEU A 122 5.874 -10.269 4.004 1.00 0.00 H new ATOM 0 HA LEU A 122 7.765 -9.739 5.053 1.00 0.00 H new ATOM 0 HB2 LEU A 122 5.929 -10.540 6.991 1.00 0.00 H new ATOM 0 HB3 LEU A 122 7.364 -11.452 7.417 1.00 0.00 H new ATOM 0 HG LEU A 122 7.119 -8.440 7.173 1.00 0.00 H new ATOM 0 HD11 LEU A 122 7.704 -8.484 9.566 1.00 0.00 H new ATOM 0 HD12 LEU A 122 6.208 -9.390 9.235 1.00 0.00 H new ATOM 0 HD13 LEU A 122 7.731 -10.263 9.521 1.00 0.00 H new ATOM 0 HD21 LEU A 122 9.483 -8.346 7.862 1.00 0.00 H new ATOM 0 HD22 LEU A 122 9.581 -10.119 7.751 1.00 0.00 H new ATOM 0 HD23 LEU A 122 9.285 -9.151 6.287 1.00 0.00 H new