USER MOD reduce.3.24.130724 H: found=0, std=0, add=944, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 942 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 25 LYS NZ :NH3+ 151:sc= -0.0313 (180deg=-0.773) USER MOD Set 1.2: A 35 GLN : amide:sc= -11.4! C(o=-11!,f=-14!) USER MOD Set 2.1: A 15 GLN : amide:sc= -0.121 K(o=0.0024,f=-0.66) USER MOD Set 2.2: A 20 THR OG1 : rot -162:sc= 0.124 USER MOD Single : A 6 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 8 MET CE :methyl -177:sc= -7.5! (180deg=-7.66!) USER MOD Single : A 17 ASN : amide:sc= -0.59 K(o=-0.59,f=-3.9!) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 ASN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 28 ASN : amide:sc= -0.663 K(o=-0.66,f=-2.8!) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 MET CE :methyl -167:sc= -0.583 (180deg=-1.88!) USER MOD Single : A 40 HIS : no HE2:sc= -2.1! K(o=-2.1!,f=-2.7) USER MOD Single : A 44 HIS : no HD1:sc= -0.0307 X(o=-0.031,f=-0.038) USER MOD Single : A 50 LYS NZ :NH3+ 160:sc= -0.773 (180deg=-1.2) USER MOD Single : A 57 ASN :FLIP amide:sc= -11.6! C(o=-14!,f=-12!) USER MOD Single : A 61 HIS :FLIP no HE2:sc= -3.24! C(o=-4.3!,f=-3.2!) USER MOD Single : A 62 THR OG1 : rot -99:sc= 0.463 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 HIS :FLIP+bothHN:sc= -3.47! C(o=-5.8!,f=-3.5!) USER MOD Single : A 66 GLN :FLIP amide:sc= -1.2 F(o=-3.3!,f=-1.2) USER MOD Single : A 71 LYS NZ :NH3+ -159:sc= 0 (180deg=-0.489) USER MOD Single : A 75 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0278) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0.0324 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 ASN :FLIP amide:sc= -0.486 F(o=-1.4,f=-0.49) USER MOD Single : A 83 CYS SG : rot 69:sc= 0.912 USER MOD Single : A 85 MET CE :methyl 159:sc= -4.07! (180deg=-5.73!) USER MOD Single : A 86 ASN :FLIP amide:sc= -1.63! C(o=-3!,f=-1.6!) USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 SER OG : rot 180:sc= -0.168 USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 LYS NZ :NH3+ 159:sc= -0.0199 (180deg=-0.46) USER MOD Single : A 103 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 104 ASN : amide:sc= -0.165 X(o=-0.17,f=-0.15) USER MOD Single : A 109 TYR OH : rot 30:sc= -2.06 USER MOD Single : A 111 MET CE :methyl 143:sc= -5.26! (180deg=-11.3!) USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 2 93.556 3.477 -27.751 1.00 0.00 N ATOM 2 CA PRO A 2 93.679 2.671 -26.524 1.00 0.00 C ATOM 3 C PRO A 2 94.440 3.448 -25.444 1.00 0.00 C ATOM 4 O PRO A 2 95.375 4.169 -25.727 1.00 0.00 O ATOM 5 CB PRO A 2 94.480 1.448 -26.978 1.00 0.00 C ATOM 6 CG PRO A 2 95.248 1.877 -28.251 1.00 0.00 C ATOM 7 CD PRO A 2 94.520 3.113 -28.811 1.00 0.00 C ATOM 0 HA PRO A 2 92.716 2.408 -26.087 1.00 0.00 H new ATOM 0 HB2 PRO A 2 95.170 1.124 -26.199 1.00 0.00 H new ATOM 0 HB3 PRO A 2 93.819 0.607 -27.188 1.00 0.00 H new ATOM 0 HG2 PRO A 2 96.286 2.113 -28.016 1.00 0.00 H new ATOM 0 HG3 PRO A 2 95.262 1.071 -28.985 1.00 0.00 H new ATOM 0 HD2 PRO A 2 95.216 3.927 -29.013 1.00 0.00 H new ATOM 0 HD3 PRO A 2 94.014 2.886 -29.749 1.00 0.00 H new ATOM 17 N VAL A 3 94.047 3.301 -24.208 1.00 0.00 N ATOM 18 CA VAL A 3 94.749 4.026 -23.110 1.00 0.00 C ATOM 19 C VAL A 3 95.108 3.036 -21.998 1.00 0.00 C ATOM 20 O VAL A 3 94.426 2.052 -21.787 1.00 0.00 O ATOM 21 CB VAL A 3 93.831 5.116 -22.552 1.00 0.00 C ATOM 22 CG1 VAL A 3 94.677 6.239 -21.947 1.00 0.00 C ATOM 23 CG2 VAL A 3 92.969 5.684 -23.684 1.00 0.00 C ATOM 0 H VAL A 3 93.270 2.710 -23.911 1.00 0.00 H new ATOM 0 HA VAL A 3 95.660 4.484 -23.496 1.00 0.00 H new ATOM 0 HB VAL A 3 93.189 4.689 -21.781 1.00 0.00 H new ATOM 0 HG11 VAL A 3 94.022 7.015 -21.550 1.00 0.00 H new ATOM 0 HG12 VAL A 3 95.293 5.837 -21.142 1.00 0.00 H new ATOM 0 HG13 VAL A 3 95.319 6.666 -22.717 1.00 0.00 H new ATOM 0 HG21 VAL A 3 92.314 6.461 -23.288 1.00 0.00 H new ATOM 0 HG22 VAL A 3 93.613 6.110 -24.453 1.00 0.00 H new ATOM 0 HG23 VAL A 3 92.365 4.886 -24.117 1.00 0.00 H new ATOM 33 N GLU A 4 96.174 3.285 -21.285 1.00 0.00 N ATOM 34 CA GLU A 4 96.575 2.354 -20.191 1.00 0.00 C ATOM 35 C GLU A 4 96.694 3.124 -18.873 1.00 0.00 C ATOM 36 O GLU A 4 96.825 4.333 -18.859 1.00 0.00 O ATOM 37 CB GLU A 4 97.925 1.718 -20.530 1.00 0.00 C ATOM 38 CG GLU A 4 97.904 1.211 -21.973 1.00 0.00 C ATOM 39 CD GLU A 4 98.539 2.258 -22.890 1.00 0.00 C ATOM 40 OE1 GLU A 4 99.683 2.606 -22.655 1.00 0.00 O ATOM 41 OE2 GLU A 4 97.868 2.695 -23.811 1.00 0.00 O ATOM 0 H GLU A 4 96.784 4.092 -21.413 1.00 0.00 H new ATOM 0 HA GLU A 4 95.819 1.576 -20.088 1.00 0.00 H new ATOM 0 HB2 GLU A 4 98.725 2.447 -20.402 1.00 0.00 H new ATOM 0 HB3 GLU A 4 98.132 0.894 -19.847 1.00 0.00 H new ATOM 0 HG2 GLU A 4 98.448 0.269 -22.047 1.00 0.00 H new ATOM 0 HG3 GLU A 4 96.879 1.012 -22.285 1.00 0.00 H new ATOM 48 N ARG A 5 96.652 2.434 -17.765 1.00 0.00 N ATOM 49 CA ARG A 5 96.765 3.128 -16.451 1.00 0.00 C ATOM 50 C ARG A 5 96.912 2.093 -15.333 1.00 0.00 C ATOM 51 O ARG A 5 96.153 2.086 -14.386 1.00 0.00 O ATOM 52 CB ARG A 5 95.510 3.965 -16.206 1.00 0.00 C ATOM 53 CG ARG A 5 94.264 3.119 -16.481 1.00 0.00 C ATOM 54 CD ARG A 5 93.595 2.750 -15.155 1.00 0.00 C ATOM 55 NE ARG A 5 92.121 2.942 -15.271 1.00 0.00 N ATOM 56 CZ ARG A 5 91.366 2.888 -14.208 1.00 0.00 C ATOM 57 NH1 ARG A 5 91.897 2.666 -13.035 1.00 0.00 N ATOM 58 NH2 ARG A 5 90.077 3.061 -14.318 1.00 0.00 N ATOM 0 H ARG A 5 96.544 1.421 -17.714 1.00 0.00 H new ATOM 0 HA ARG A 5 97.640 3.777 -16.461 1.00 0.00 H new ATOM 0 HB2 ARG A 5 95.497 4.326 -15.177 1.00 0.00 H new ATOM 0 HB3 ARG A 5 95.515 4.843 -16.852 1.00 0.00 H new ATOM 0 HG2 ARG A 5 93.567 3.673 -17.110 1.00 0.00 H new ATOM 0 HG3 ARG A 5 94.538 2.216 -17.026 1.00 0.00 H new ATOM 0 HD2 ARG A 5 93.818 1.714 -14.899 1.00 0.00 H new ATOM 0 HD3 ARG A 5 93.991 3.370 -14.351 1.00 0.00 H new ATOM 0 HE ARG A 5 91.701 3.116 -16.184 1.00 0.00 H new ATOM 0 HH11 ARG A 5 92.905 2.534 -12.948 1.00 0.00 H new ATOM 0 HH12 ARG A 5 91.304 2.624 -12.206 1.00 0.00 H new ATOM 0 HH21 ARG A 5 89.662 3.238 -15.233 1.00 0.00 H new ATOM 0 HH22 ARG A 5 89.484 3.019 -13.489 1.00 0.00 H new ATOM 72 N MET A 6 97.896 1.235 -15.446 1.00 0.00 N ATOM 73 CA MET A 6 98.136 0.182 -14.408 1.00 0.00 C ATOM 74 C MET A 6 96.816 -0.248 -13.754 1.00 0.00 C ATOM 75 O MET A 6 95.763 -0.185 -14.359 1.00 0.00 O ATOM 76 CB MET A 6 99.075 0.744 -13.338 1.00 0.00 C ATOM 77 CG MET A 6 100.231 -0.230 -13.111 1.00 0.00 C ATOM 78 SD MET A 6 100.218 -0.789 -11.390 1.00 0.00 S ATOM 79 CE MET A 6 101.781 -0.029 -10.888 1.00 0.00 C ATOM 0 H MET A 6 98.554 1.219 -16.225 1.00 0.00 H new ATOM 0 HA MET A 6 98.585 -0.689 -14.885 1.00 0.00 H new ATOM 0 HB2 MET A 6 99.460 1.715 -13.650 1.00 0.00 H new ATOM 0 HB3 MET A 6 98.530 0.901 -12.407 1.00 0.00 H new ATOM 0 HG2 MET A 6 100.139 -1.084 -13.783 1.00 0.00 H new ATOM 0 HG3 MET A 6 101.180 0.255 -13.340 1.00 0.00 H new ATOM 0 HE1 MET A 6 101.973 -0.252 -9.839 1.00 0.00 H new ATOM 0 HE2 MET A 6 102.592 -0.427 -11.498 1.00 0.00 H new ATOM 0 HE3 MET A 6 101.721 1.051 -11.025 1.00 0.00 H new ATOM 89 N ARG A 7 96.864 -0.690 -12.527 1.00 0.00 N ATOM 90 CA ARG A 7 95.613 -1.121 -11.844 1.00 0.00 C ATOM 91 C ARG A 7 95.787 -1.000 -10.328 1.00 0.00 C ATOM 92 O ARG A 7 96.887 -0.858 -9.826 1.00 0.00 O ATOM 93 CB ARG A 7 95.297 -2.574 -12.214 1.00 0.00 C ATOM 94 CG ARG A 7 93.786 -2.737 -12.391 1.00 0.00 C ATOM 95 CD ARG A 7 93.387 -2.292 -13.798 1.00 0.00 C ATOM 96 NE ARG A 7 92.024 -2.802 -14.112 1.00 0.00 N ATOM 97 CZ ARG A 7 91.617 -2.864 -15.350 1.00 0.00 C ATOM 98 NH1 ARG A 7 92.402 -2.480 -16.321 1.00 0.00 N ATOM 99 NH2 ARG A 7 90.422 -3.313 -15.619 1.00 0.00 N ATOM 0 H ARG A 7 97.714 -0.771 -11.969 1.00 0.00 H new ATOM 0 HA ARG A 7 94.790 -0.482 -12.164 1.00 0.00 H new ATOM 0 HB2 ARG A 7 95.813 -2.847 -13.134 1.00 0.00 H new ATOM 0 HB3 ARG A 7 95.657 -3.246 -11.435 1.00 0.00 H new ATOM 0 HG2 ARG A 7 93.501 -3.777 -12.232 1.00 0.00 H new ATOM 0 HG3 ARG A 7 93.256 -2.144 -11.646 1.00 0.00 H new ATOM 0 HD2 ARG A 7 93.404 -1.204 -13.866 1.00 0.00 H new ATOM 0 HD3 ARG A 7 94.105 -2.668 -14.527 1.00 0.00 H new ATOM 0 HE ARG A 7 91.407 -3.104 -13.358 1.00 0.00 H new ATOM 0 HH11 ARG A 7 93.337 -2.130 -16.113 1.00 0.00 H new ATOM 0 HH12 ARG A 7 92.080 -2.530 -17.287 1.00 0.00 H new ATOM 0 HH21 ARG A 7 89.808 -3.615 -14.862 1.00 0.00 H new ATOM 0 HH22 ARG A 7 90.101 -3.362 -16.586 1.00 0.00 H new ATOM 113 N MET A 8 94.708 -1.048 -9.595 1.00 0.00 N ATOM 114 CA MET A 8 94.806 -0.926 -8.112 1.00 0.00 C ATOM 115 C MET A 8 95.482 -2.173 -7.525 1.00 0.00 C ATOM 116 O MET A 8 96.162 -2.108 -6.519 1.00 0.00 O ATOM 117 CB MET A 8 93.401 -0.793 -7.521 1.00 0.00 C ATOM 118 CG MET A 8 93.388 0.318 -6.469 1.00 0.00 C ATOM 119 SD MET A 8 94.449 -0.153 -5.078 1.00 0.00 S ATOM 120 CE MET A 8 93.131 -0.382 -3.857 1.00 0.00 C ATOM 0 H MET A 8 93.763 -1.166 -9.959 1.00 0.00 H new ATOM 0 HA MET A 8 95.399 -0.045 -7.866 1.00 0.00 H new ATOM 0 HB2 MET A 8 92.684 -0.568 -8.310 1.00 0.00 H new ATOM 0 HB3 MET A 8 93.094 -1.737 -7.071 1.00 0.00 H new ATOM 0 HG2 MET A 8 93.739 1.252 -6.907 1.00 0.00 H new ATOM 0 HG3 MET A 8 92.370 0.492 -6.121 1.00 0.00 H new ATOM 0 HE1 MET A 8 93.570 -0.629 -2.890 1.00 0.00 H new ATOM 0 HE2 MET A 8 92.553 0.538 -3.769 1.00 0.00 H new ATOM 0 HE3 MET A 8 92.476 -1.193 -4.176 1.00 0.00 H new ATOM 130 N ARG A 9 95.285 -3.310 -8.139 1.00 0.00 N ATOM 131 CA ARG A 9 95.895 -4.568 -7.612 1.00 0.00 C ATOM 132 C ARG A 9 97.423 -4.450 -7.555 1.00 0.00 C ATOM 133 O ARG A 9 98.015 -4.614 -6.505 1.00 0.00 O ATOM 134 CB ARG A 9 95.506 -5.739 -8.518 1.00 0.00 C ATOM 135 CG ARG A 9 94.403 -6.558 -7.845 1.00 0.00 C ATOM 136 CD ARG A 9 94.103 -7.800 -8.685 1.00 0.00 C ATOM 137 NE ARG A 9 93.267 -7.417 -9.858 1.00 0.00 N ATOM 138 CZ ARG A 9 93.118 -8.245 -10.857 1.00 0.00 C ATOM 139 NH1 ARG A 9 93.700 -9.414 -10.835 1.00 0.00 N ATOM 140 NH2 ARG A 9 92.386 -7.902 -11.883 1.00 0.00 N ATOM 0 H ARG A 9 94.727 -3.423 -8.985 1.00 0.00 H new ATOM 0 HA ARG A 9 95.523 -4.739 -6.602 1.00 0.00 H new ATOM 0 HB2 ARG A 9 95.161 -5.367 -9.483 1.00 0.00 H new ATOM 0 HB3 ARG A 9 96.375 -6.368 -8.711 1.00 0.00 H new ATOM 0 HG2 ARG A 9 94.714 -6.851 -6.842 1.00 0.00 H new ATOM 0 HG3 ARG A 9 93.502 -5.954 -7.736 1.00 0.00 H new ATOM 0 HD2 ARG A 9 95.033 -8.258 -9.022 1.00 0.00 H new ATOM 0 HD3 ARG A 9 93.582 -8.543 -8.081 1.00 0.00 H new ATOM 0 HE ARG A 9 92.810 -6.505 -9.881 1.00 0.00 H new ATOM 0 HH11 ARG A 9 94.273 -9.683 -10.036 1.00 0.00 H new ATOM 0 HH12 ARG A 9 93.581 -10.058 -11.617 1.00 0.00 H new ATOM 0 HH21 ARG A 9 91.932 -6.989 -11.903 1.00 0.00 H new ATOM 0 HH22 ARG A 9 92.268 -8.547 -12.664 1.00 0.00 H new ATOM 154 N PRO A 10 98.021 -4.171 -8.684 1.00 0.00 N ATOM 155 CA PRO A 10 99.482 -4.035 -8.786 1.00 0.00 C ATOM 156 C PRO A 10 99.939 -2.737 -8.121 1.00 0.00 C ATOM 157 O PRO A 10 101.024 -2.654 -7.581 1.00 0.00 O ATOM 158 CB PRO A 10 99.748 -4.032 -10.289 1.00 0.00 C ATOM 159 CG PRO A 10 98.423 -3.619 -10.959 1.00 0.00 C ATOM 160 CD PRO A 10 97.304 -3.951 -9.954 1.00 0.00 C ATOM 0 HA PRO A 10 100.028 -4.832 -8.282 1.00 0.00 H new ATOM 0 HB2 PRO A 10 100.546 -3.334 -10.542 1.00 0.00 H new ATOM 0 HB3 PRO A 10 100.066 -5.017 -10.630 1.00 0.00 H new ATOM 0 HG2 PRO A 10 98.425 -2.556 -11.200 1.00 0.00 H new ATOM 0 HG3 PRO A 10 98.277 -4.158 -11.895 1.00 0.00 H new ATOM 0 HD2 PRO A 10 96.586 -3.135 -9.871 1.00 0.00 H new ATOM 0 HD3 PRO A 10 96.746 -4.837 -10.256 1.00 0.00 H new ATOM 168 N TRP A 11 99.110 -1.732 -8.137 1.00 0.00 N ATOM 169 CA TRP A 11 99.488 -0.452 -7.486 1.00 0.00 C ATOM 170 C TRP A 11 99.638 -0.694 -5.978 1.00 0.00 C ATOM 171 O TRP A 11 100.494 -0.124 -5.323 1.00 0.00 O ATOM 172 CB TRP A 11 98.386 0.580 -7.743 1.00 0.00 C ATOM 173 CG TRP A 11 98.846 1.935 -7.320 1.00 0.00 C ATOM 174 CD1 TRP A 11 99.443 2.842 -8.128 1.00 0.00 C ATOM 175 CD2 TRP A 11 98.751 2.554 -6.006 1.00 0.00 C ATOM 176 NE1 TRP A 11 99.719 3.981 -7.390 1.00 0.00 N ATOM 177 CE2 TRP A 11 99.314 3.851 -6.079 1.00 0.00 C ATOM 178 CE3 TRP A 11 98.239 2.121 -4.771 1.00 0.00 C ATOM 179 CZ2 TRP A 11 99.364 4.689 -4.968 1.00 0.00 C ATOM 180 CZ3 TRP A 11 98.289 2.961 -3.649 1.00 0.00 C ATOM 181 CH2 TRP A 11 98.851 4.242 -3.746 1.00 0.00 C ATOM 0 H TRP A 11 98.188 -1.743 -8.573 1.00 0.00 H new ATOM 0 HA TRP A 11 100.430 -0.080 -7.890 1.00 0.00 H new ATOM 0 HB2 TRP A 11 98.125 0.590 -8.801 1.00 0.00 H new ATOM 0 HB3 TRP A 11 97.485 0.306 -7.195 1.00 0.00 H new ATOM 0 HD1 TRP A 11 99.667 2.701 -9.175 1.00 0.00 H new ATOM 0 HE1 TRP A 11 100.167 4.814 -7.770 1.00 0.00 H new ATOM 0 HE3 TRP A 11 97.805 1.136 -4.685 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 99.795 5.676 -5.049 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 97.892 2.619 -2.705 1.00 0.00 H new ATOM 0 HH2 TRP A 11 98.888 4.883 -2.878 1.00 0.00 H new ATOM 192 N LEU A 12 98.820 -1.555 -5.427 1.00 0.00 N ATOM 193 CA LEU A 12 98.915 -1.853 -3.973 1.00 0.00 C ATOM 194 C LEU A 12 100.064 -2.829 -3.749 1.00 0.00 C ATOM 195 O LEU A 12 100.818 -2.706 -2.807 1.00 0.00 O ATOM 196 CB LEU A 12 97.605 -2.476 -3.485 1.00 0.00 C ATOM 197 CG LEU A 12 97.222 -1.864 -2.137 1.00 0.00 C ATOM 198 CD1 LEU A 12 97.157 -0.341 -2.266 1.00 0.00 C ATOM 199 CD2 LEU A 12 95.854 -2.397 -1.703 1.00 0.00 C ATOM 0 H LEU A 12 98.090 -2.064 -5.926 1.00 0.00 H new ATOM 0 HA LEU A 12 99.095 -0.933 -3.417 1.00 0.00 H new ATOM 0 HB2 LEU A 12 96.813 -2.302 -4.214 1.00 0.00 H new ATOM 0 HB3 LEU A 12 97.717 -3.556 -3.388 1.00 0.00 H new ATOM 0 HG LEU A 12 97.970 -2.134 -1.392 1.00 0.00 H new ATOM 0 HD11 LEU A 12 96.884 0.094 -1.305 1.00 0.00 H new ATOM 0 HD12 LEU A 12 98.131 0.040 -2.573 1.00 0.00 H new ATOM 0 HD13 LEU A 12 96.410 -0.071 -3.012 1.00 0.00 H new ATOM 0 HD21 LEU A 12 95.582 -1.960 -0.742 1.00 0.00 H new ATOM 0 HD22 LEU A 12 95.106 -2.129 -2.449 1.00 0.00 H new ATOM 0 HD23 LEU A 12 95.899 -3.482 -1.609 1.00 0.00 H new ATOM 211 N GLU A 13 100.214 -3.795 -4.612 1.00 0.00 N ATOM 212 CA GLU A 13 101.332 -4.761 -4.446 1.00 0.00 C ATOM 213 C GLU A 13 102.652 -3.990 -4.506 1.00 0.00 C ATOM 214 O GLU A 13 103.639 -4.369 -3.906 1.00 0.00 O ATOM 215 CB GLU A 13 101.291 -5.794 -5.574 1.00 0.00 C ATOM 216 CG GLU A 13 102.591 -6.600 -5.577 1.00 0.00 C ATOM 217 CD GLU A 13 103.437 -6.203 -6.789 1.00 0.00 C ATOM 218 OE1 GLU A 13 102.858 -5.944 -7.832 1.00 0.00 O ATOM 219 OE2 GLU A 13 104.649 -6.165 -6.655 1.00 0.00 O ATOM 0 H GLU A 13 99.613 -3.956 -5.421 1.00 0.00 H new ATOM 0 HA GLU A 13 101.241 -5.276 -3.490 1.00 0.00 H new ATOM 0 HB2 GLU A 13 100.438 -6.460 -5.441 1.00 0.00 H new ATOM 0 HB3 GLU A 13 101.158 -5.295 -6.534 1.00 0.00 H new ATOM 0 HG2 GLU A 13 103.146 -6.417 -4.657 1.00 0.00 H new ATOM 0 HG3 GLU A 13 102.370 -7.667 -5.609 1.00 0.00 H new ATOM 226 N GLU A 14 102.668 -2.902 -5.228 1.00 0.00 N ATOM 227 CA GLU A 14 103.912 -2.092 -5.335 1.00 0.00 C ATOM 228 C GLU A 14 104.075 -1.247 -4.070 1.00 0.00 C ATOM 229 O GLU A 14 105.060 -1.351 -3.371 1.00 0.00 O ATOM 230 CB GLU A 14 103.820 -1.173 -6.556 1.00 0.00 C ATOM 231 CG GLU A 14 105.066 -1.352 -7.425 1.00 0.00 C ATOM 232 CD GLU A 14 106.285 -0.783 -6.697 1.00 0.00 C ATOM 233 OE1 GLU A 14 106.128 0.214 -6.012 1.00 0.00 O ATOM 234 OE2 GLU A 14 107.354 -1.353 -6.836 1.00 0.00 O ATOM 0 H GLU A 14 101.870 -2.540 -5.749 1.00 0.00 H new ATOM 0 HA GLU A 14 104.771 -2.754 -5.445 1.00 0.00 H new ATOM 0 HB2 GLU A 14 102.925 -1.406 -7.133 1.00 0.00 H new ATOM 0 HB3 GLU A 14 103.732 -0.134 -6.237 1.00 0.00 H new ATOM 0 HG2 GLU A 14 105.221 -2.409 -7.643 1.00 0.00 H new ATOM 0 HG3 GLU A 14 104.931 -0.845 -8.381 1.00 0.00 H new ATOM 241 N GLN A 15 103.115 -0.414 -3.764 1.00 0.00 N ATOM 242 CA GLN A 15 103.231 0.426 -2.533 1.00 0.00 C ATOM 243 C GLN A 15 103.667 -0.451 -1.362 1.00 0.00 C ATOM 244 O GLN A 15 104.461 -0.052 -0.533 1.00 0.00 O ATOM 245 CB GLN A 15 101.877 1.055 -2.220 1.00 0.00 C ATOM 246 CG GLN A 15 101.465 1.954 -3.382 1.00 0.00 C ATOM 247 CD GLN A 15 102.411 3.154 -3.462 1.00 0.00 C ATOM 248 OE1 GLN A 15 102.375 4.028 -2.620 1.00 0.00 O ATOM 249 NE2 GLN A 15 103.263 3.231 -4.447 1.00 0.00 N ATOM 0 H GLN A 15 102.262 -0.279 -4.307 1.00 0.00 H new ATOM 0 HA GLN A 15 103.969 1.212 -2.694 1.00 0.00 H new ATOM 0 HB2 GLN A 15 101.129 0.278 -2.062 1.00 0.00 H new ATOM 0 HB3 GLN A 15 101.935 1.634 -1.298 1.00 0.00 H new ATOM 0 HG2 GLN A 15 101.492 1.393 -4.316 1.00 0.00 H new ATOM 0 HG3 GLN A 15 100.439 2.295 -3.245 1.00 0.00 H new ATOM 0 HE21 GLN A 15 103.293 2.496 -5.154 1.00 0.00 H new ATOM 0 HE22 GLN A 15 103.899 4.026 -4.510 1.00 0.00 H new ATOM 258 N ILE A 16 103.152 -1.644 -1.290 1.00 0.00 N ATOM 259 CA ILE A 16 103.528 -2.558 -0.175 1.00 0.00 C ATOM 260 C ILE A 16 104.937 -3.104 -0.412 1.00 0.00 C ATOM 261 O ILE A 16 105.734 -3.206 0.499 1.00 0.00 O ATOM 262 CB ILE A 16 102.540 -3.723 -0.118 1.00 0.00 C ATOM 263 CG1 ILE A 16 101.123 -3.179 0.062 1.00 0.00 C ATOM 264 CG2 ILE A 16 102.889 -4.629 1.064 1.00 0.00 C ATOM 265 CD1 ILE A 16 100.106 -4.265 -0.293 1.00 0.00 C ATOM 0 H ILE A 16 102.484 -2.029 -1.958 1.00 0.00 H new ATOM 0 HA ILE A 16 103.504 -2.009 0.766 1.00 0.00 H new ATOM 0 HB ILE A 16 102.597 -4.294 -1.045 1.00 0.00 H new ATOM 0 HG12 ILE A 16 100.976 -2.852 1.091 1.00 0.00 H new ATOM 0 HG13 ILE A 16 100.975 -2.306 -0.574 1.00 0.00 H new ATOM 0 HG21 ILE A 16 102.185 -5.460 1.106 1.00 0.00 H new ATOM 0 HG22 ILE A 16 103.900 -5.016 0.940 1.00 0.00 H new ATOM 0 HG23 ILE A 16 102.831 -4.057 1.990 1.00 0.00 H new ATOM 0 HD11 ILE A 16 99.097 -3.874 -0.164 1.00 0.00 H new ATOM 0 HD12 ILE A 16 100.247 -4.571 -1.330 1.00 0.00 H new ATOM 0 HD13 ILE A 16 100.249 -5.125 0.361 1.00 0.00 H new ATOM 277 N ASN A 17 105.246 -3.463 -1.627 1.00 0.00 N ATOM 278 CA ASN A 17 106.600 -4.010 -1.918 1.00 0.00 C ATOM 279 C ASN A 17 107.676 -3.004 -1.494 1.00 0.00 C ATOM 280 O ASN A 17 108.749 -3.376 -1.062 1.00 0.00 O ATOM 281 CB ASN A 17 106.720 -4.289 -3.419 1.00 0.00 C ATOM 282 CG ASN A 17 107.058 -5.766 -3.637 1.00 0.00 C ATOM 283 OD1 ASN A 17 107.172 -6.521 -2.692 1.00 0.00 O ATOM 284 ND2 ASN A 17 107.223 -6.214 -4.852 1.00 0.00 N ATOM 0 H ASN A 17 104.620 -3.401 -2.430 1.00 0.00 H new ATOM 0 HA ASN A 17 106.742 -4.935 -1.359 1.00 0.00 H new ATOM 0 HB2 ASN A 17 105.785 -4.041 -3.922 1.00 0.00 H new ATOM 0 HB3 ASN A 17 107.495 -3.659 -3.856 1.00 0.00 H new ATOM 0 HD21 ASN A 17 107.447 -7.197 -5.007 1.00 0.00 H new ATOM 0 HD22 ASN A 17 107.128 -5.581 -5.646 1.00 0.00 H new ATOM 291 N SER A 18 107.401 -1.736 -1.616 1.00 0.00 N ATOM 292 CA SER A 18 108.413 -0.713 -1.224 1.00 0.00 C ATOM 293 C SER A 18 108.233 -0.336 0.249 1.00 0.00 C ATOM 294 O SER A 18 109.175 0.035 0.919 1.00 0.00 O ATOM 295 CB SER A 18 108.238 0.535 -2.091 1.00 0.00 C ATOM 296 OG SER A 18 109.020 0.402 -3.270 1.00 0.00 O ATOM 0 H SER A 18 106.520 -1.363 -1.970 1.00 0.00 H new ATOM 0 HA SER A 18 109.411 -1.126 -1.369 1.00 0.00 H new ATOM 0 HB2 SER A 18 107.188 0.667 -2.351 1.00 0.00 H new ATOM 0 HB3 SER A 18 108.543 1.423 -1.537 1.00 0.00 H new ATOM 0 HG SER A 18 108.908 1.200 -3.828 1.00 0.00 H new ATOM 302 N ASN A 19 107.026 -0.414 0.749 1.00 0.00 N ATOM 303 CA ASN A 19 106.771 -0.048 2.175 1.00 0.00 C ATOM 304 C ASN A 19 106.618 1.468 2.274 1.00 0.00 C ATOM 305 O ASN A 19 107.461 2.155 2.815 1.00 0.00 O ATOM 306 CB ASN A 19 107.940 -0.505 3.055 1.00 0.00 C ATOM 307 CG ASN A 19 107.444 -0.750 4.483 1.00 0.00 C ATOM 308 OD1 ASN A 19 106.518 -0.107 4.936 1.00 0.00 O ATOM 309 ND2 ASN A 19 108.031 -1.656 5.218 1.00 0.00 N ATOM 0 H ASN A 19 106.203 -0.717 0.228 1.00 0.00 H new ATOM 0 HA ASN A 19 105.861 -0.539 2.520 1.00 0.00 H new ATOM 0 HB2 ASN A 19 108.378 -1.417 2.650 1.00 0.00 H new ATOM 0 HB3 ASN A 19 108.724 0.252 3.057 1.00 0.00 H new ATOM 0 HD21 ASN A 19 107.712 -1.824 6.172 1.00 0.00 H new ATOM 0 HD22 ASN A 19 108.808 -2.196 4.838 1.00 0.00 H new ATOM 316 N THR A 20 105.547 1.996 1.751 1.00 0.00 N ATOM 317 CA THR A 20 105.337 3.469 1.808 1.00 0.00 C ATOM 318 C THR A 20 104.821 3.852 3.192 1.00 0.00 C ATOM 319 O THR A 20 105.189 4.870 3.743 1.00 0.00 O ATOM 320 CB THR A 20 104.312 3.879 0.749 1.00 0.00 C ATOM 321 OG1 THR A 20 103.937 2.741 -0.014 1.00 0.00 O ATOM 322 CG2 THR A 20 104.921 4.933 -0.173 1.00 0.00 C ATOM 0 H THR A 20 104.807 1.470 1.286 1.00 0.00 H new ATOM 0 HA THR A 20 106.280 3.980 1.616 1.00 0.00 H new ATOM 0 HB THR A 20 103.431 4.294 1.240 1.00 0.00 H new ATOM 0 HG1 THR A 20 103.516 3.032 -0.850 1.00 0.00 H new ATOM 0 HG21 THR A 20 104.189 5.224 -0.927 1.00 0.00 H new ATOM 0 HG22 THR A 20 105.206 5.807 0.412 1.00 0.00 H new ATOM 0 HG23 THR A 20 105.803 4.521 -0.664 1.00 0.00 H new ATOM 330 N ILE A 21 103.979 3.040 3.766 1.00 0.00 N ATOM 331 CA ILE A 21 103.451 3.355 5.122 1.00 0.00 C ATOM 332 C ILE A 21 103.876 2.239 6.086 1.00 0.00 C ATOM 333 O ILE A 21 103.848 1.076 5.730 1.00 0.00 O ATOM 334 CB ILE A 21 101.919 3.449 5.085 1.00 0.00 C ATOM 335 CG1 ILE A 21 101.436 3.748 3.657 1.00 0.00 C ATOM 336 CG2 ILE A 21 101.460 4.571 6.015 1.00 0.00 C ATOM 337 CD1 ILE A 21 101.729 5.210 3.300 1.00 0.00 C ATOM 0 H ILE A 21 103.634 2.172 3.355 1.00 0.00 H new ATOM 0 HA ILE A 21 103.851 4.312 5.457 1.00 0.00 H new ATOM 0 HB ILE A 21 101.499 2.497 5.410 1.00 0.00 H new ATOM 0 HG12 ILE A 21 101.934 3.085 2.949 1.00 0.00 H new ATOM 0 HG13 ILE A 21 100.367 3.553 3.578 1.00 0.00 H new ATOM 0 HG21 ILE A 21 100.373 4.641 5.992 1.00 0.00 H new ATOM 0 HG22 ILE A 21 101.788 4.357 7.032 1.00 0.00 H new ATOM 0 HG23 ILE A 21 101.892 5.516 5.686 1.00 0.00 H new ATOM 0 HD11 ILE A 21 101.384 5.413 2.286 1.00 0.00 H new ATOM 0 HD12 ILE A 21 101.210 5.866 3.999 1.00 0.00 H new ATOM 0 HD13 ILE A 21 102.802 5.391 3.361 1.00 0.00 H new ATOM 349 N PRO A 22 104.264 2.622 7.277 1.00 0.00 N ATOM 350 CA PRO A 22 104.717 1.667 8.307 1.00 0.00 C ATOM 351 C PRO A 22 103.529 0.900 8.895 1.00 0.00 C ATOM 352 O PRO A 22 103.696 -0.027 9.664 1.00 0.00 O ATOM 353 CB PRO A 22 105.390 2.555 9.357 1.00 0.00 C ATOM 354 CG PRO A 22 104.813 3.977 9.158 1.00 0.00 C ATOM 355 CD PRO A 22 104.278 4.034 7.714 1.00 0.00 C ATOM 0 HA PRO A 22 105.392 0.905 7.917 1.00 0.00 H new ATOM 0 HB2 PRO A 22 105.186 2.190 10.364 1.00 0.00 H new ATOM 0 HB3 PRO A 22 106.473 2.554 9.231 1.00 0.00 H new ATOM 0 HG2 PRO A 22 104.017 4.176 9.875 1.00 0.00 H new ATOM 0 HG3 PRO A 22 105.582 4.733 9.317 1.00 0.00 H new ATOM 0 HD2 PRO A 22 103.281 4.473 7.676 1.00 0.00 H new ATOM 0 HD3 PRO A 22 104.919 4.642 7.076 1.00 0.00 H new ATOM 363 N GLY A 23 102.334 1.268 8.527 1.00 0.00 N ATOM 364 CA GLY A 23 101.138 0.548 9.052 1.00 0.00 C ATOM 365 C GLY A 23 100.576 -0.351 7.949 1.00 0.00 C ATOM 366 O GLY A 23 99.723 -1.184 8.187 1.00 0.00 O ATOM 0 H GLY A 23 102.132 2.035 7.886 1.00 0.00 H new ATOM 0 HA2 GLY A 23 101.410 -0.049 9.923 1.00 0.00 H new ATOM 0 HA3 GLY A 23 100.382 1.262 9.378 1.00 0.00 H new ATOM 370 N LEU A 24 101.058 -0.198 6.743 1.00 0.00 N ATOM 371 CA LEU A 24 100.571 -1.046 5.627 1.00 0.00 C ATOM 372 C LEU A 24 101.760 -1.871 5.113 1.00 0.00 C ATOM 373 O LEU A 24 102.813 -1.336 4.832 1.00 0.00 O ATOM 374 CB LEU A 24 100.003 -0.126 4.523 1.00 0.00 C ATOM 375 CG LEU A 24 100.446 -0.600 3.138 1.00 0.00 C ATOM 376 CD1 LEU A 24 99.799 -1.951 2.840 1.00 0.00 C ATOM 377 CD2 LEU A 24 100.020 0.418 2.074 1.00 0.00 C ATOM 0 H LEU A 24 101.772 0.484 6.487 1.00 0.00 H new ATOM 0 HA LEU A 24 99.780 -1.724 5.947 1.00 0.00 H new ATOM 0 HB2 LEU A 24 98.914 -0.115 4.577 1.00 0.00 H new ATOM 0 HB3 LEU A 24 100.341 0.897 4.687 1.00 0.00 H new ATOM 0 HG LEU A 24 101.531 -0.698 3.120 1.00 0.00 H new ATOM 0 HD11 LEU A 24 100.111 -2.294 1.854 1.00 0.00 H new ATOM 0 HD12 LEU A 24 100.109 -2.677 3.592 1.00 0.00 H new ATOM 0 HD13 LEU A 24 98.714 -1.848 2.862 1.00 0.00 H new ATOM 0 HD21 LEU A 24 100.340 0.072 1.091 1.00 0.00 H new ATOM 0 HD22 LEU A 24 98.935 0.525 2.086 1.00 0.00 H new ATOM 0 HD23 LEU A 24 100.482 1.382 2.287 1.00 0.00 H new ATOM 389 N LYS A 25 101.614 -3.164 4.992 1.00 0.00 N ATOM 390 CA LYS A 25 102.771 -3.978 4.499 1.00 0.00 C ATOM 391 C LYS A 25 102.350 -5.419 4.185 1.00 0.00 C ATOM 392 O LYS A 25 101.229 -5.828 4.430 1.00 0.00 O ATOM 393 CB LYS A 25 103.885 -4.003 5.554 1.00 0.00 C ATOM 394 CG LYS A 25 103.312 -3.672 6.933 1.00 0.00 C ATOM 395 CD LYS A 25 102.122 -4.585 7.221 1.00 0.00 C ATOM 396 CE LYS A 25 102.116 -4.963 8.704 1.00 0.00 C ATOM 397 NZ LYS A 25 102.267 -3.731 9.530 1.00 0.00 N ATOM 0 H LYS A 25 100.764 -3.686 5.207 1.00 0.00 H new ATOM 0 HA LYS A 25 103.133 -3.512 3.582 1.00 0.00 H new ATOM 0 HB2 LYS A 25 104.356 -4.986 5.574 1.00 0.00 H new ATOM 0 HB3 LYS A 25 104.661 -3.284 5.292 1.00 0.00 H new ATOM 0 HG2 LYS A 25 104.078 -3.802 7.698 1.00 0.00 H new ATOM 0 HG3 LYS A 25 103.000 -2.628 6.968 1.00 0.00 H new ATOM 0 HD2 LYS A 25 101.192 -4.081 6.959 1.00 0.00 H new ATOM 0 HD3 LYS A 25 102.182 -5.483 6.606 1.00 0.00 H new ATOM 0 HE2 LYS A 25 101.186 -5.472 8.957 1.00 0.00 H new ATOM 0 HE3 LYS A 25 102.928 -5.658 8.917 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 101.796 -3.868 10.447 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 103.277 -3.539 9.685 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 101.834 -2.926 9.035 1.00 0.00 H new ATOM 411 N TRP A 26 103.264 -6.182 3.637 1.00 0.00 N ATOM 412 CA TRP A 26 102.975 -7.601 3.282 1.00 0.00 C ATOM 413 C TRP A 26 103.110 -8.492 4.517 1.00 0.00 C ATOM 414 O TRP A 26 104.208 -8.805 4.934 1.00 0.00 O ATOM 415 CB TRP A 26 104.016 -8.099 2.273 1.00 0.00 C ATOM 416 CG TRP A 26 103.692 -7.660 0.881 1.00 0.00 C ATOM 417 CD1 TRP A 26 104.491 -6.881 0.120 1.00 0.00 C ATOM 418 CD2 TRP A 26 102.533 -7.984 0.059 1.00 0.00 C ATOM 419 NE1 TRP A 26 103.899 -6.702 -1.114 1.00 0.00 N ATOM 420 CE2 TRP A 26 102.688 -7.357 -1.201 1.00 0.00 C ATOM 421 CE3 TRP A 26 101.373 -8.748 0.278 1.00 0.00 C ATOM 422 CZ2 TRP A 26 101.728 -7.483 -2.204 1.00 0.00 C ATOM 423 CZ3 TRP A 26 100.404 -8.877 -0.730 1.00 0.00 C ATOM 424 CH2 TRP A 26 100.582 -8.246 -1.969 1.00 0.00 C ATOM 0 H TRP A 26 104.212 -5.874 3.419 1.00 0.00 H new ATOM 0 HA TRP A 26 101.965 -7.647 2.875 1.00 0.00 H new ATOM 0 HB2 TRP A 26 105.001 -7.725 2.552 1.00 0.00 H new ATOM 0 HB3 TRP A 26 104.066 -9.187 2.309 1.00 0.00 H new ATOM 0 HD1 TRP A 26 105.439 -6.466 0.427 1.00 0.00 H new ATOM 0 HE1 TRP A 26 104.307 -6.152 -1.870 1.00 0.00 H new ATOM 0 HE3 TRP A 26 101.226 -9.239 1.229 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 101.870 -6.994 -3.156 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 99.517 -9.466 -0.550 1.00 0.00 H new ATOM 0 HH2 TRP A 26 99.834 -8.350 -2.741 1.00 0.00 H new ATOM 435 N LEU A 27 102.034 -8.954 5.082 1.00 0.00 N ATOM 436 CA LEU A 27 102.187 -9.869 6.243 1.00 0.00 C ATOM 437 C LEU A 27 102.958 -11.081 5.735 1.00 0.00 C ATOM 438 O LEU A 27 103.805 -11.639 6.404 1.00 0.00 O ATOM 439 CB LEU A 27 100.820 -10.329 6.745 1.00 0.00 C ATOM 440 CG LEU A 27 99.916 -9.127 6.993 1.00 0.00 C ATOM 441 CD1 LEU A 27 98.735 -9.578 7.847 1.00 0.00 C ATOM 442 CD2 LEU A 27 100.694 -8.037 7.733 1.00 0.00 C ATOM 0 H LEU A 27 101.076 -8.745 4.800 1.00 0.00 H new ATOM 0 HA LEU A 27 102.700 -9.367 7.063 1.00 0.00 H new ATOM 0 HB2 LEU A 27 100.361 -10.993 6.013 1.00 0.00 H new ATOM 0 HB3 LEU A 27 100.937 -10.901 7.665 1.00 0.00 H new ATOM 0 HG LEU A 27 99.563 -8.726 6.043 1.00 0.00 H new ATOM 0 HD11 LEU A 27 98.077 -8.730 8.035 1.00 0.00 H new ATOM 0 HD12 LEU A 27 98.182 -10.357 7.321 1.00 0.00 H new ATOM 0 HD13 LEU A 27 99.101 -9.970 8.796 1.00 0.00 H new ATOM 0 HD21 LEU A 27 100.043 -7.180 7.908 1.00 0.00 H new ATOM 0 HD22 LEU A 27 101.046 -8.426 8.688 1.00 0.00 H new ATOM 0 HD23 LEU A 27 101.548 -7.727 7.131 1.00 0.00 H new ATOM 454 N ASN A 28 102.657 -11.468 4.527 1.00 0.00 N ATOM 455 CA ASN A 28 103.335 -12.624 3.890 1.00 0.00 C ATOM 456 C ASN A 28 103.142 -12.507 2.377 1.00 0.00 C ATOM 457 O ASN A 28 102.306 -13.171 1.793 1.00 0.00 O ATOM 458 CB ASN A 28 102.712 -13.930 4.391 1.00 0.00 C ATOM 459 CG ASN A 28 103.679 -14.626 5.352 1.00 0.00 C ATOM 460 OD1 ASN A 28 104.653 -14.039 5.782 1.00 0.00 O ATOM 461 ND2 ASN A 28 103.450 -15.860 5.708 1.00 0.00 N ATOM 0 H ASN A 28 101.952 -11.018 3.943 1.00 0.00 H new ATOM 0 HA ASN A 28 104.396 -12.627 4.139 1.00 0.00 H new ATOM 0 HB2 ASN A 28 101.768 -13.724 4.895 1.00 0.00 H new ATOM 0 HB3 ASN A 28 102.487 -14.584 3.548 1.00 0.00 H new ATOM 0 HD21 ASN A 28 104.088 -16.333 6.348 1.00 0.00 H new ATOM 0 HD22 ASN A 28 102.633 -16.352 5.347 1.00 0.00 H new ATOM 468 N LYS A 29 103.889 -11.645 1.740 1.00 0.00 N ATOM 469 CA LYS A 29 103.734 -11.468 0.270 1.00 0.00 C ATOM 470 C LYS A 29 103.833 -12.829 -0.419 1.00 0.00 C ATOM 471 O LYS A 29 103.310 -13.027 -1.498 1.00 0.00 O ATOM 472 CB LYS A 29 104.823 -10.529 -0.256 1.00 0.00 C ATOM 473 CG LYS A 29 106.194 -11.190 -0.123 1.00 0.00 C ATOM 474 CD LYS A 29 106.888 -10.689 1.146 1.00 0.00 C ATOM 475 CE LYS A 29 106.770 -11.745 2.247 1.00 0.00 C ATOM 476 NZ LYS A 29 108.132 -12.186 2.664 1.00 0.00 N ATOM 0 H LYS A 29 104.599 -11.057 2.176 1.00 0.00 H new ATOM 0 HA LYS A 29 102.759 -11.030 0.056 1.00 0.00 H new ATOM 0 HB2 LYS A 29 104.629 -10.283 -1.300 1.00 0.00 H new ATOM 0 HB3 LYS A 29 104.807 -9.592 0.301 1.00 0.00 H new ATOM 0 HG2 LYS A 29 106.084 -12.274 -0.085 1.00 0.00 H new ATOM 0 HG3 LYS A 29 106.804 -10.962 -0.997 1.00 0.00 H new ATOM 0 HD2 LYS A 29 107.938 -10.480 0.940 1.00 0.00 H new ATOM 0 HD3 LYS A 29 106.435 -9.754 1.475 1.00 0.00 H new ATOM 0 HE2 LYS A 29 106.232 -11.335 3.102 1.00 0.00 H new ATOM 0 HE3 LYS A 29 106.195 -12.598 1.887 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 108.051 -12.904 3.412 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 108.631 -12.593 1.847 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 108.666 -11.370 3.024 1.00 0.00 H new ATOM 490 N GLU A 30 104.480 -13.779 0.201 1.00 0.00 N ATOM 491 CA GLU A 30 104.577 -15.125 -0.423 1.00 0.00 C ATOM 492 C GLU A 30 103.159 -15.620 -0.693 1.00 0.00 C ATOM 493 O GLU A 30 102.786 -15.891 -1.817 1.00 0.00 O ATOM 494 CB GLU A 30 105.287 -16.083 0.532 1.00 0.00 C ATOM 495 CG GLU A 30 105.122 -17.516 0.027 1.00 0.00 C ATOM 496 CD GLU A 30 105.884 -17.682 -1.289 1.00 0.00 C ATOM 497 OE1 GLU A 30 105.354 -17.282 -2.313 1.00 0.00 O ATOM 498 OE2 GLU A 30 106.985 -18.206 -1.251 1.00 0.00 O ATOM 0 H GLU A 30 104.941 -13.681 1.105 1.00 0.00 H new ATOM 0 HA GLU A 30 105.144 -15.076 -1.352 1.00 0.00 H new ATOM 0 HB2 GLU A 30 106.345 -15.829 0.600 1.00 0.00 H new ATOM 0 HB3 GLU A 30 104.871 -15.989 1.535 1.00 0.00 H new ATOM 0 HG2 GLU A 30 105.498 -18.220 0.769 1.00 0.00 H new ATOM 0 HG3 GLU A 30 104.066 -17.742 -0.121 1.00 0.00 H new ATOM 505 N LYS A 31 102.356 -15.713 0.332 1.00 0.00 N ATOM 506 CA LYS A 31 100.952 -16.157 0.134 1.00 0.00 C ATOM 507 C LYS A 31 100.129 -14.961 -0.357 1.00 0.00 C ATOM 508 O LYS A 31 98.968 -15.089 -0.689 1.00 0.00 O ATOM 509 CB LYS A 31 100.384 -16.679 1.455 1.00 0.00 C ATOM 510 CG LYS A 31 100.535 -18.201 1.502 1.00 0.00 C ATOM 511 CD LYS A 31 99.911 -18.738 2.791 1.00 0.00 C ATOM 512 CE LYS A 31 100.769 -19.884 3.331 1.00 0.00 C ATOM 513 NZ LYS A 31 100.058 -21.176 3.122 1.00 0.00 N ATOM 0 H LYS A 31 102.614 -15.500 1.296 1.00 0.00 H new ATOM 0 HA LYS A 31 100.912 -16.960 -0.602 1.00 0.00 H new ATOM 0 HB2 LYS A 31 100.908 -16.224 2.295 1.00 0.00 H new ATOM 0 HB3 LYS A 31 99.334 -16.403 1.547 1.00 0.00 H new ATOM 0 HG2 LYS A 31 100.050 -18.652 0.636 1.00 0.00 H new ATOM 0 HG3 LYS A 31 101.589 -18.474 1.455 1.00 0.00 H new ATOM 0 HD2 LYS A 31 99.839 -17.942 3.532 1.00 0.00 H new ATOM 0 HD3 LYS A 31 98.897 -19.088 2.599 1.00 0.00 H new ATOM 0 HE2 LYS A 31 101.734 -19.901 2.824 1.00 0.00 H new ATOM 0 HE3 LYS A 31 100.969 -19.734 4.392 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 100.640 -21.956 3.489 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 99.148 -21.157 3.625 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 99.889 -21.319 2.106 1.00 0.00 H new ATOM 527 N LYS A 32 100.738 -13.801 -0.419 1.00 0.00 N ATOM 528 CA LYS A 32 100.029 -12.581 -0.903 1.00 0.00 C ATOM 529 C LYS A 32 99.105 -12.022 0.179 1.00 0.00 C ATOM 530 O LYS A 32 97.968 -11.690 -0.083 1.00 0.00 O ATOM 531 CB LYS A 32 99.211 -12.915 -2.155 1.00 0.00 C ATOM 532 CG LYS A 32 100.096 -13.659 -3.158 1.00 0.00 C ATOM 533 CD LYS A 32 101.049 -12.667 -3.827 1.00 0.00 C ATOM 534 CE LYS A 32 100.245 -11.528 -4.455 1.00 0.00 C ATOM 535 NZ LYS A 32 100.659 -11.347 -5.875 1.00 0.00 N ATOM 0 H LYS A 32 101.710 -13.649 -0.150 1.00 0.00 H new ATOM 0 HA LYS A 32 100.776 -11.826 -1.146 1.00 0.00 H new ATOM 0 HB2 LYS A 32 98.351 -13.529 -1.888 1.00 0.00 H new ATOM 0 HB3 LYS A 32 98.823 -12.001 -2.604 1.00 0.00 H new ATOM 0 HG2 LYS A 32 100.663 -14.440 -2.651 1.00 0.00 H new ATOM 0 HG3 LYS A 32 99.479 -14.151 -3.910 1.00 0.00 H new ATOM 0 HD2 LYS A 32 101.750 -12.269 -3.093 1.00 0.00 H new ATOM 0 HD3 LYS A 32 101.640 -13.173 -4.591 1.00 0.00 H new ATOM 0 HE2 LYS A 32 99.179 -11.750 -4.402 1.00 0.00 H new ATOM 0 HE3 LYS A 32 100.407 -10.605 -3.898 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 100.111 -10.572 -6.300 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 101.672 -11.117 -5.914 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 100.483 -12.226 -6.403 1.00 0.00 H new ATOM 549 N ILE A 33 99.585 -11.885 1.387 1.00 0.00 N ATOM 550 CA ILE A 33 98.720 -11.311 2.460 1.00 0.00 C ATOM 551 C ILE A 33 99.197 -9.897 2.775 1.00 0.00 C ATOM 552 O ILE A 33 100.357 -9.678 3.065 1.00 0.00 O ATOM 553 CB ILE A 33 98.816 -12.148 3.730 1.00 0.00 C ATOM 554 CG1 ILE A 33 98.355 -13.578 3.445 1.00 0.00 C ATOM 555 CG2 ILE A 33 97.923 -11.519 4.803 1.00 0.00 C ATOM 556 CD1 ILE A 33 99.564 -14.434 3.062 1.00 0.00 C ATOM 0 H ILE A 33 100.529 -12.143 1.676 1.00 0.00 H new ATOM 0 HA ILE A 33 97.687 -11.304 2.113 1.00 0.00 H new ATOM 0 HB ILE A 33 99.849 -12.175 4.078 1.00 0.00 H new ATOM 0 HG12 ILE A 33 97.863 -13.995 4.324 1.00 0.00 H new ATOM 0 HG13 ILE A 33 97.622 -13.582 2.638 1.00 0.00 H new ATOM 0 HG21 ILE A 33 97.983 -12.109 5.718 1.00 0.00 H new ATOM 0 HG22 ILE A 33 98.258 -10.502 5.005 1.00 0.00 H new ATOM 0 HG23 ILE A 33 96.891 -11.498 4.451 1.00 0.00 H new ATOM 0 HD11 ILE A 33 99.238 -15.454 2.858 1.00 0.00 H new ATOM 0 HD12 ILE A 33 100.036 -14.019 2.171 1.00 0.00 H new ATOM 0 HD13 ILE A 33 100.281 -14.439 3.883 1.00 0.00 H new ATOM 568 N PHE A 34 98.325 -8.931 2.725 1.00 0.00 N ATOM 569 CA PHE A 34 98.770 -7.544 3.024 1.00 0.00 C ATOM 570 C PHE A 34 97.836 -6.897 4.048 1.00 0.00 C ATOM 571 O PHE A 34 96.632 -6.890 3.890 1.00 0.00 O ATOM 572 CB PHE A 34 98.788 -6.720 1.730 1.00 0.00 C ATOM 573 CG PHE A 34 97.382 -6.297 1.356 1.00 0.00 C ATOM 574 CD1 PHE A 34 96.801 -5.181 1.971 1.00 0.00 C ATOM 575 CD2 PHE A 34 96.665 -7.014 0.389 1.00 0.00 C ATOM 576 CE1 PHE A 34 95.506 -4.782 1.620 1.00 0.00 C ATOM 577 CE2 PHE A 34 95.369 -6.615 0.041 1.00 0.00 C ATOM 578 CZ PHE A 34 94.790 -5.499 0.655 1.00 0.00 C ATOM 0 H PHE A 34 97.337 -9.039 2.494 1.00 0.00 H new ATOM 0 HA PHE A 34 99.775 -7.575 3.444 1.00 0.00 H new ATOM 0 HB2 PHE A 34 99.417 -5.840 1.860 1.00 0.00 H new ATOM 0 HB3 PHE A 34 99.225 -7.308 0.923 1.00 0.00 H new ATOM 0 HD1 PHE A 34 97.353 -4.628 2.717 1.00 0.00 H new ATOM 0 HD2 PHE A 34 97.112 -7.874 -0.088 1.00 0.00 H new ATOM 0 HE1 PHE A 34 95.059 -3.921 2.094 1.00 0.00 H new ATOM 0 HE2 PHE A 34 94.815 -7.169 -0.702 1.00 0.00 H new ATOM 0 HZ PHE A 34 93.791 -5.191 0.384 1.00 0.00 H new ATOM 588 N GLN A 35 98.390 -6.345 5.093 1.00 0.00 N ATOM 589 CA GLN A 35 97.543 -5.687 6.128 1.00 0.00 C ATOM 590 C GLN A 35 97.713 -4.174 6.021 1.00 0.00 C ATOM 591 O GLN A 35 98.808 -3.665 5.885 1.00 0.00 O ATOM 592 CB GLN A 35 97.972 -6.164 7.526 1.00 0.00 C ATOM 593 CG GLN A 35 97.546 -5.153 8.601 1.00 0.00 C ATOM 594 CD GLN A 35 98.221 -5.503 9.927 1.00 0.00 C ATOM 595 OE1 GLN A 35 97.863 -6.471 10.568 1.00 0.00 O ATOM 596 NE2 GLN A 35 99.189 -4.747 10.371 1.00 0.00 N ATOM 0 H GLN A 35 99.393 -6.321 5.275 1.00 0.00 H new ATOM 0 HA GLN A 35 96.497 -5.949 5.970 1.00 0.00 H new ATOM 0 HB2 GLN A 35 97.525 -7.136 7.737 1.00 0.00 H new ATOM 0 HB3 GLN A 35 99.053 -6.297 7.554 1.00 0.00 H new ATOM 0 HG2 GLN A 35 97.822 -4.144 8.296 1.00 0.00 H new ATOM 0 HG3 GLN A 35 96.462 -5.166 8.718 1.00 0.00 H new ATOM 0 HE21 GLN A 35 99.489 -3.934 9.833 1.00 0.00 H new ATOM 0 HE22 GLN A 35 99.645 -4.969 11.256 1.00 0.00 H new ATOM 605 N ILE A 36 96.636 -3.454 6.106 1.00 0.00 N ATOM 606 CA ILE A 36 96.718 -1.970 6.039 1.00 0.00 C ATOM 607 C ILE A 36 96.285 -1.445 7.410 1.00 0.00 C ATOM 608 O ILE A 36 95.549 -2.116 8.086 1.00 0.00 O ATOM 609 CB ILE A 36 95.759 -1.484 4.939 1.00 0.00 C ATOM 610 CG1 ILE A 36 96.425 -1.658 3.575 1.00 0.00 C ATOM 611 CG2 ILE A 36 95.389 -0.009 5.135 1.00 0.00 C ATOM 612 CD1 ILE A 36 95.379 -1.473 2.475 1.00 0.00 C ATOM 0 H ILE A 36 95.695 -3.830 6.220 1.00 0.00 H new ATOM 0 HA ILE A 36 97.722 -1.617 5.803 1.00 0.00 H new ATOM 0 HB ILE A 36 94.846 -2.078 4.995 1.00 0.00 H new ATOM 0 HG12 ILE A 36 97.229 -0.932 3.455 1.00 0.00 H new ATOM 0 HG13 ILE A 36 96.876 -2.648 3.501 1.00 0.00 H new ATOM 0 HG21 ILE A 36 94.710 0.304 4.342 1.00 0.00 H new ATOM 0 HG22 ILE A 36 94.901 0.118 6.101 1.00 0.00 H new ATOM 0 HG23 ILE A 36 96.292 0.600 5.101 1.00 0.00 H new ATOM 0 HD11 ILE A 36 95.851 -1.596 1.500 1.00 0.00 H new ATOM 0 HD12 ILE A 36 94.591 -2.217 2.594 1.00 0.00 H new ATOM 0 HD13 ILE A 36 94.949 -0.474 2.546 1.00 0.00 H new ATOM 624 N PRO A 37 96.759 -0.287 7.801 1.00 0.00 N ATOM 625 CA PRO A 37 96.402 0.303 9.109 1.00 0.00 C ATOM 626 C PRO A 37 95.041 1.005 9.055 1.00 0.00 C ATOM 627 O PRO A 37 94.220 0.829 9.931 1.00 0.00 O ATOM 628 CB PRO A 37 97.518 1.300 9.363 1.00 0.00 C ATOM 629 CG PRO A 37 98.114 1.657 7.977 1.00 0.00 C ATOM 630 CD PRO A 37 97.702 0.528 7.010 1.00 0.00 C ATOM 0 HA PRO A 37 96.309 -0.446 9.896 1.00 0.00 H new ATOM 0 HB2 PRO A 37 97.136 2.191 9.862 1.00 0.00 H new ATOM 0 HB3 PRO A 37 98.280 0.872 10.014 1.00 0.00 H new ATOM 0 HG2 PRO A 37 97.737 2.619 7.631 1.00 0.00 H new ATOM 0 HG3 PRO A 37 99.199 1.741 8.033 1.00 0.00 H new ATOM 0 HD2 PRO A 37 97.231 0.924 6.110 1.00 0.00 H new ATOM 0 HD3 PRO A 37 98.563 -0.057 6.688 1.00 0.00 H new ATOM 638 N TRP A 38 94.776 1.777 8.030 1.00 0.00 N ATOM 639 CA TRP A 38 93.441 2.452 7.929 1.00 0.00 C ATOM 640 C TRP A 38 93.310 3.575 8.971 1.00 0.00 C ATOM 641 O TRP A 38 92.326 4.287 8.998 1.00 0.00 O ATOM 642 CB TRP A 38 92.350 1.409 8.170 1.00 0.00 C ATOM 643 CG TRP A 38 92.659 0.214 7.337 1.00 0.00 C ATOM 644 CD1 TRP A 38 93.450 -0.815 7.705 1.00 0.00 C ATOM 645 CD2 TRP A 38 92.217 -0.075 5.990 1.00 0.00 C ATOM 646 NE1 TRP A 38 93.521 -1.718 6.657 1.00 0.00 N ATOM 647 CE2 TRP A 38 92.772 -1.303 5.578 1.00 0.00 C ATOM 648 CE3 TRP A 38 91.393 0.611 5.097 1.00 0.00 C ATOM 649 CZ2 TRP A 38 92.519 -1.833 4.316 1.00 0.00 C ATOM 650 CZ3 TRP A 38 91.132 0.091 3.829 1.00 0.00 C ATOM 651 CH2 TRP A 38 91.695 -1.130 3.433 1.00 0.00 C ATOM 0 H TRP A 38 95.420 1.969 7.263 1.00 0.00 H new ATOM 0 HA TRP A 38 93.341 2.894 6.938 1.00 0.00 H new ATOM 0 HB2 TRP A 38 92.310 1.137 9.225 1.00 0.00 H new ATOM 0 HB3 TRP A 38 91.372 1.813 7.907 1.00 0.00 H new ATOM 0 HD1 TRP A 38 93.946 -0.918 8.659 1.00 0.00 H new ATOM 0 HE1 TRP A 38 94.061 -2.583 6.681 1.00 0.00 H new ATOM 0 HE3 TRP A 38 90.953 1.553 5.390 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 92.955 -2.777 4.023 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 90.492 0.633 3.148 1.00 0.00 H new ATOM 0 HH2 TRP A 38 91.493 -1.526 2.449 1.00 0.00 H new ATOM 662 N MET A 39 94.282 3.735 9.835 1.00 0.00 N ATOM 663 CA MET A 39 94.205 4.803 10.879 1.00 0.00 C ATOM 664 C MET A 39 93.288 4.352 12.025 1.00 0.00 C ATOM 665 O MET A 39 93.262 4.966 13.074 1.00 0.00 O ATOM 666 CB MET A 39 93.650 6.099 10.273 1.00 0.00 C ATOM 667 CG MET A 39 94.322 6.372 8.924 1.00 0.00 C ATOM 668 SD MET A 39 93.919 8.050 8.377 1.00 0.00 S ATOM 669 CE MET A 39 92.186 8.058 8.902 1.00 0.00 C ATOM 0 H MET A 39 95.130 3.169 9.862 1.00 0.00 H new ATOM 0 HA MET A 39 95.209 4.984 11.263 1.00 0.00 H new ATOM 0 HB2 MET A 39 92.571 6.017 10.142 1.00 0.00 H new ATOM 0 HB3 MET A 39 93.826 6.933 10.952 1.00 0.00 H new ATOM 0 HG2 MET A 39 95.402 6.257 9.014 1.00 0.00 H new ATOM 0 HG3 MET A 39 93.985 5.646 8.184 1.00 0.00 H new ATOM 0 HE1 MET A 39 91.675 8.912 8.458 1.00 0.00 H new ATOM 0 HE2 MET A 39 91.703 7.137 8.576 1.00 0.00 H new ATOM 0 HE3 MET A 39 92.135 8.130 9.988 1.00 0.00 H new ATOM 679 N HIS A 40 92.538 3.293 11.836 1.00 0.00 N ATOM 680 CA HIS A 40 91.624 2.817 12.914 1.00 0.00 C ATOM 681 C HIS A 40 90.974 4.022 13.596 1.00 0.00 C ATOM 682 O HIS A 40 90.876 4.084 14.805 1.00 0.00 O ATOM 683 CB HIS A 40 92.416 2.011 13.945 1.00 0.00 C ATOM 684 CG HIS A 40 91.504 1.012 14.602 1.00 0.00 C ATOM 685 ND1 HIS A 40 91.595 -0.349 14.353 1.00 0.00 N ATOM 686 CD2 HIS A 40 90.477 1.160 15.501 1.00 0.00 C ATOM 687 CE1 HIS A 40 90.647 -0.959 15.087 1.00 0.00 C ATOM 688 NE2 HIS A 40 89.938 -0.086 15.807 1.00 0.00 N ATOM 0 H HIS A 40 92.522 2.739 10.980 1.00 0.00 H new ATOM 0 HA HIS A 40 90.852 2.182 12.480 1.00 0.00 H new ATOM 0 HB2 HIS A 40 93.248 1.498 13.462 1.00 0.00 H new ATOM 0 HB3 HIS A 40 92.844 2.677 14.694 1.00 0.00 H new ATOM 0 HD1 HIS A 40 92.260 -0.805 13.727 1.00 0.00 H new ATOM 0 HD2 HIS A 40 90.139 2.101 15.909 1.00 0.00 H new ATOM 0 HE1 HIS A 40 90.480 -2.026 15.093 1.00 0.00 H new ATOM 696 N ALA A 41 90.545 4.983 12.823 1.00 0.00 N ATOM 697 CA ALA A 41 89.912 6.199 13.409 1.00 0.00 C ATOM 698 C ALA A 41 91.008 7.143 13.903 1.00 0.00 C ATOM 699 O ALA A 41 90.941 7.663 14.997 1.00 0.00 O ATOM 700 CB ALA A 41 89.009 5.803 14.581 1.00 0.00 C ATOM 0 H ALA A 41 90.606 4.978 11.805 1.00 0.00 H new ATOM 0 HA ALA A 41 89.309 6.697 12.650 1.00 0.00 H new ATOM 0 HB1 ALA A 41 88.550 6.696 15.004 1.00 0.00 H new ATOM 0 HB2 ALA A 41 88.230 5.127 14.228 1.00 0.00 H new ATOM 0 HB3 ALA A 41 89.604 5.303 15.346 1.00 0.00 H new ATOM 706 N ALA A 42 92.018 7.364 13.101 1.00 0.00 N ATOM 707 CA ALA A 42 93.128 8.272 13.518 1.00 0.00 C ATOM 708 C ALA A 42 93.734 7.768 14.827 1.00 0.00 C ATOM 709 O ALA A 42 93.076 7.106 15.604 1.00 0.00 O ATOM 710 CB ALA A 42 92.580 9.691 13.744 1.00 0.00 C ATOM 0 H ALA A 42 92.122 6.954 12.173 1.00 0.00 H new ATOM 0 HA ALA A 42 93.887 8.288 12.736 1.00 0.00 H new ATOM 0 HB1 ALA A 42 93.393 10.351 14.048 1.00 0.00 H new ATOM 0 HB2 ALA A 42 92.138 10.062 12.819 1.00 0.00 H new ATOM 0 HB3 ALA A 42 91.820 9.667 14.525 1.00 0.00 H new ATOM 716 N ARG A 43 94.974 8.095 15.101 1.00 0.00 N ATOM 717 CA ARG A 43 95.580 7.652 16.390 1.00 0.00 C ATOM 718 C ARG A 43 94.550 7.929 17.483 1.00 0.00 C ATOM 719 O ARG A 43 94.449 7.229 18.471 1.00 0.00 O ATOM 720 CB ARG A 43 96.858 8.450 16.664 1.00 0.00 C ATOM 721 CG ARG A 43 98.037 7.777 15.959 1.00 0.00 C ATOM 722 CD ARG A 43 98.504 6.574 16.779 1.00 0.00 C ATOM 723 NE ARG A 43 98.144 5.317 16.064 1.00 0.00 N ATOM 724 CZ ARG A 43 98.725 5.014 14.935 1.00 0.00 C ATOM 725 NH1 ARG A 43 99.624 5.811 14.423 1.00 0.00 N ATOM 726 NH2 ARG A 43 98.409 3.908 14.318 1.00 0.00 N ATOM 0 H ARG A 43 95.584 8.643 14.494 1.00 0.00 H new ATOM 0 HA ARG A 43 95.841 6.594 16.358 1.00 0.00 H new ATOM 0 HB2 ARG A 43 96.744 9.474 16.309 1.00 0.00 H new ATOM 0 HB3 ARG A 43 97.044 8.504 17.737 1.00 0.00 H new ATOM 0 HG2 ARG A 43 97.742 7.457 14.960 1.00 0.00 H new ATOM 0 HG3 ARG A 43 98.855 8.487 15.838 1.00 0.00 H new ATOM 0 HD2 ARG A 43 99.582 6.622 16.933 1.00 0.00 H new ATOM 0 HD3 ARG A 43 98.040 6.590 17.765 1.00 0.00 H new ATOM 0 HE ARG A 43 97.441 4.691 16.458 1.00 0.00 H new ATOM 0 HH11 ARG A 43 99.875 6.674 14.906 1.00 0.00 H new ATOM 0 HH12 ARG A 43 100.076 5.570 13.541 1.00 0.00 H new ATOM 0 HH21 ARG A 43 97.709 3.283 14.718 1.00 0.00 H new ATOM 0 HH22 ARG A 43 98.862 3.669 13.436 1.00 0.00 H new ATOM 740 N HIS A 44 93.753 8.936 17.258 1.00 0.00 N ATOM 741 CA HIS A 44 92.667 9.288 18.204 1.00 0.00 C ATOM 742 C HIS A 44 91.367 9.321 17.396 1.00 0.00 C ATOM 743 O HIS A 44 90.455 8.553 17.633 1.00 0.00 O ATOM 744 CB HIS A 44 92.941 10.653 18.826 1.00 0.00 C ATOM 745 CG HIS A 44 93.393 10.455 20.243 1.00 0.00 C ATOM 746 ND1 HIS A 44 92.765 11.067 21.314 1.00 0.00 N ATOM 747 CD2 HIS A 44 94.399 9.693 20.781 1.00 0.00 C ATOM 748 CE1 HIS A 44 93.393 10.664 22.433 1.00 0.00 C ATOM 749 NE2 HIS A 44 94.398 9.827 22.165 1.00 0.00 N ATOM 0 H HIS A 44 93.813 9.541 16.439 1.00 0.00 H new ATOM 0 HA HIS A 44 92.600 8.562 19.014 1.00 0.00 H new ATOM 0 HB2 HIS A 44 93.705 11.181 18.256 1.00 0.00 H new ATOM 0 HB3 HIS A 44 92.041 11.268 18.799 1.00 0.00 H new ATOM 0 HD2 HIS A 44 95.087 9.082 20.216 1.00 0.00 H new ATOM 0 HE1 HIS A 44 93.117 10.979 23.428 1.00 0.00 H new ATOM 0 HE2 HIS A 44 95.029 9.382 22.832 1.00 0.00 H new ATOM 757 N GLY A 45 91.294 10.182 16.412 1.00 0.00 N ATOM 758 CA GLY A 45 90.071 10.235 15.553 1.00 0.00 C ATOM 759 C GLY A 45 89.816 11.653 15.032 1.00 0.00 C ATOM 760 O GLY A 45 88.683 12.034 14.825 1.00 0.00 O ATOM 0 H GLY A 45 92.026 10.849 16.167 1.00 0.00 H new ATOM 0 HA2 GLY A 45 90.185 9.552 14.712 1.00 0.00 H new ATOM 0 HA3 GLY A 45 89.208 9.895 16.125 1.00 0.00 H new ATOM 764 N TRP A 46 90.829 12.455 14.815 1.00 0.00 N ATOM 765 CA TRP A 46 90.537 13.843 14.329 1.00 0.00 C ATOM 766 C TRP A 46 91.794 14.563 13.837 1.00 0.00 C ATOM 767 O TRP A 46 91.896 15.767 13.956 1.00 0.00 O ATOM 768 CB TRP A 46 89.957 14.660 15.481 1.00 0.00 C ATOM 769 CG TRP A 46 90.292 13.974 16.757 1.00 0.00 C ATOM 770 CD1 TRP A 46 91.455 14.094 17.426 1.00 0.00 C ATOM 771 CD2 TRP A 46 89.487 13.025 17.492 1.00 0.00 C ATOM 772 NE1 TRP A 46 91.412 13.274 18.532 1.00 0.00 N ATOM 773 CE2 TRP A 46 90.207 12.601 18.625 1.00 0.00 C ATOM 774 CE3 TRP A 46 88.207 12.506 17.281 1.00 0.00 C ATOM 775 CZ2 TRP A 46 89.671 11.682 19.530 1.00 0.00 C ATOM 776 CZ3 TRP A 46 87.656 11.581 18.184 1.00 0.00 C ATOM 777 CH2 TRP A 46 88.387 11.172 19.310 1.00 0.00 C ATOM 0 H TRP A 46 91.813 12.223 14.947 1.00 0.00 H new ATOM 0 HA TRP A 46 89.838 13.755 13.497 1.00 0.00 H new ATOM 0 HB2 TRP A 46 90.367 15.670 15.474 1.00 0.00 H new ATOM 0 HB3 TRP A 46 88.876 14.754 15.373 1.00 0.00 H new ATOM 0 HD1 TRP A 46 92.283 14.727 17.143 1.00 0.00 H new ATOM 0 HE1 TRP A 46 92.176 13.175 19.201 1.00 0.00 H new ATOM 0 HE3 TRP A 46 87.637 12.818 16.418 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 90.242 11.368 20.391 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 86.667 11.184 18.011 1.00 0.00 H new ATOM 0 HH2 TRP A 46 87.959 10.465 20.005 1.00 0.00 H new ATOM 788 N ASP A 47 92.738 13.863 13.283 1.00 0.00 N ATOM 789 CA ASP A 47 93.973 14.555 12.791 1.00 0.00 C ATOM 790 C ASP A 47 95.116 13.556 12.632 1.00 0.00 C ATOM 791 O ASP A 47 96.222 13.798 13.072 1.00 0.00 O ATOM 792 CB ASP A 47 94.404 15.622 13.799 1.00 0.00 C ATOM 793 CG ASP A 47 94.075 17.011 13.251 1.00 0.00 C ATOM 794 OD1 ASP A 47 94.372 17.254 12.094 1.00 0.00 O ATOM 795 OD2 ASP A 47 93.532 17.808 13.999 1.00 0.00 O ATOM 0 H ASP A 47 92.717 12.852 13.147 1.00 0.00 H new ATOM 0 HA ASP A 47 93.748 15.012 11.827 1.00 0.00 H new ATOM 0 HB2 ASP A 47 93.894 15.465 14.750 1.00 0.00 H new ATOM 0 HB3 ASP A 47 95.473 15.541 13.994 1.00 0.00 H new ATOM 800 N VAL A 48 94.872 12.438 12.016 1.00 0.00 N ATOM 801 CA VAL A 48 95.960 11.447 11.853 1.00 0.00 C ATOM 802 C VAL A 48 95.863 10.810 10.466 1.00 0.00 C ATOM 803 O VAL A 48 95.450 9.679 10.314 1.00 0.00 O ATOM 804 CB VAL A 48 95.806 10.393 12.938 1.00 0.00 C ATOM 805 CG1 VAL A 48 97.118 9.623 13.096 1.00 0.00 C ATOM 806 CG2 VAL A 48 95.455 11.093 14.257 1.00 0.00 C ATOM 0 H VAL A 48 93.971 12.170 11.621 1.00 0.00 H new ATOM 0 HA VAL A 48 96.936 11.925 11.943 1.00 0.00 H new ATOM 0 HB VAL A 48 95.015 9.693 12.668 1.00 0.00 H new ATOM 0 HG11 VAL A 48 97.005 8.868 13.874 1.00 0.00 H new ATOM 0 HG12 VAL A 48 97.371 9.138 12.153 1.00 0.00 H new ATOM 0 HG13 VAL A 48 97.914 10.314 13.373 1.00 0.00 H new ATOM 0 HG21 VAL A 48 95.341 10.349 15.045 1.00 0.00 H new ATOM 0 HG22 VAL A 48 96.253 11.786 14.525 1.00 0.00 H new ATOM 0 HG23 VAL A 48 94.521 11.643 14.140 1.00 0.00 H new ATOM 816 N GLU A 49 96.242 11.542 9.454 1.00 0.00 N ATOM 817 CA GLU A 49 96.178 11.003 8.066 1.00 0.00 C ATOM 818 C GLU A 49 97.454 10.211 7.767 1.00 0.00 C ATOM 819 O GLU A 49 98.182 10.513 6.843 1.00 0.00 O ATOM 820 CB GLU A 49 96.059 12.166 7.079 1.00 0.00 C ATOM 821 CG GLU A 49 94.783 12.005 6.247 1.00 0.00 C ATOM 822 CD GLU A 49 94.448 13.331 5.560 1.00 0.00 C ATOM 823 OE1 GLU A 49 93.954 14.217 6.237 1.00 0.00 O ATOM 824 OE2 GLU A 49 94.689 13.436 4.370 1.00 0.00 O ATOM 0 H GLU A 49 96.595 12.496 9.530 1.00 0.00 H new ATOM 0 HA GLU A 49 95.313 10.348 7.967 1.00 0.00 H new ATOM 0 HB2 GLU A 49 96.037 13.113 7.618 1.00 0.00 H new ATOM 0 HB3 GLU A 49 96.931 12.192 6.425 1.00 0.00 H new ATOM 0 HG2 GLU A 49 94.919 11.222 5.501 1.00 0.00 H new ATOM 0 HG3 GLU A 49 93.956 11.696 6.887 1.00 0.00 H new ATOM 831 N LYS A 50 97.729 9.202 8.546 1.00 0.00 N ATOM 832 CA LYS A 50 98.956 8.388 8.317 1.00 0.00 C ATOM 833 C LYS A 50 99.002 7.907 6.865 1.00 0.00 C ATOM 834 O LYS A 50 99.996 8.055 6.182 1.00 0.00 O ATOM 835 CB LYS A 50 98.944 7.176 9.253 1.00 0.00 C ATOM 836 CG LYS A 50 99.292 7.620 10.675 1.00 0.00 C ATOM 837 CD LYS A 50 100.752 7.277 10.975 1.00 0.00 C ATOM 838 CE LYS A 50 100.895 5.765 11.160 1.00 0.00 C ATOM 839 NZ LYS A 50 101.650 5.190 10.010 1.00 0.00 N ATOM 0 H LYS A 50 97.154 8.905 9.335 1.00 0.00 H new ATOM 0 HA LYS A 50 99.834 9.001 8.519 1.00 0.00 H new ATOM 0 HB2 LYS A 50 97.962 6.703 9.239 1.00 0.00 H new ATOM 0 HB3 LYS A 50 99.661 6.431 8.908 1.00 0.00 H new ATOM 0 HG2 LYS A 50 99.130 8.693 10.782 1.00 0.00 H new ATOM 0 HG3 LYS A 50 98.637 7.126 11.392 1.00 0.00 H new ATOM 0 HD2 LYS A 50 101.391 7.616 10.160 1.00 0.00 H new ATOM 0 HD3 LYS A 50 101.081 7.797 11.875 1.00 0.00 H new ATOM 0 HE2 LYS A 50 101.415 5.550 12.094 1.00 0.00 H new ATOM 0 HE3 LYS A 50 99.911 5.302 11.230 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 102.039 4.264 10.279 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 101.011 5.075 9.198 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 102.428 5.830 9.750 1.00 0.00 H new ATOM 853 N ASP A 51 97.934 7.331 6.389 1.00 0.00 N ATOM 854 CA ASP A 51 97.915 6.835 4.980 1.00 0.00 C ATOM 855 C ASP A 51 97.517 7.974 4.037 1.00 0.00 C ATOM 856 O ASP A 51 96.730 7.794 3.127 1.00 0.00 O ATOM 857 CB ASP A 51 96.904 5.691 4.854 1.00 0.00 C ATOM 858 CG ASP A 51 97.328 4.532 5.757 1.00 0.00 C ATOM 859 OD1 ASP A 51 98.438 4.054 5.592 1.00 0.00 O ATOM 860 OD2 ASP A 51 96.535 4.141 6.597 1.00 0.00 O ATOM 0 H ASP A 51 97.072 7.181 6.913 1.00 0.00 H new ATOM 0 HA ASP A 51 98.908 6.475 4.712 1.00 0.00 H new ATOM 0 HB2 ASP A 51 95.909 6.038 5.134 1.00 0.00 H new ATOM 0 HB3 ASP A 51 96.845 5.356 3.818 1.00 0.00 H new ATOM 865 N ALA A 52 98.052 9.144 4.251 1.00 0.00 N ATOM 866 CA ALA A 52 97.713 10.301 3.377 1.00 0.00 C ATOM 867 C ALA A 52 98.666 10.443 2.162 1.00 0.00 C ATOM 868 O ALA A 52 98.303 11.110 1.212 1.00 0.00 O ATOM 869 CB ALA A 52 97.763 11.584 4.203 1.00 0.00 C ATOM 0 H ALA A 52 98.714 9.349 4.999 1.00 0.00 H new ATOM 0 HA ALA A 52 96.712 10.124 2.983 1.00 0.00 H new ATOM 0 HB1 ALA A 52 97.516 12.435 3.569 1.00 0.00 H new ATOM 0 HB2 ALA A 52 97.044 11.519 5.020 1.00 0.00 H new ATOM 0 HB3 ALA A 52 98.765 11.715 4.611 1.00 0.00 H new ATOM 875 N PRO A 53 99.851 9.850 2.192 1.00 0.00 N ATOM 876 CA PRO A 53 100.789 9.975 1.059 1.00 0.00 C ATOM 877 C PRO A 53 100.312 9.125 -0.118 1.00 0.00 C ATOM 878 O PRO A 53 100.796 9.250 -1.226 1.00 0.00 O ATOM 879 CB PRO A 53 102.124 9.482 1.623 1.00 0.00 C ATOM 880 CG PRO A 53 101.782 8.605 2.846 1.00 0.00 C ATOM 881 CD PRO A 53 100.368 9.013 3.299 1.00 0.00 C ATOM 0 HA PRO A 53 100.869 10.991 0.673 1.00 0.00 H new ATOM 0 HB2 PRO A 53 102.674 8.909 0.876 1.00 0.00 H new ATOM 0 HB3 PRO A 53 102.757 10.321 1.911 1.00 0.00 H new ATOM 0 HG2 PRO A 53 101.815 7.547 2.585 1.00 0.00 H new ATOM 0 HG3 PRO A 53 102.505 8.759 3.647 1.00 0.00 H new ATOM 0 HD2 PRO A 53 99.737 8.140 3.465 1.00 0.00 H new ATOM 0 HD3 PRO A 53 100.396 9.568 4.237 1.00 0.00 H new ATOM 889 N LEU A 54 99.344 8.289 0.109 1.00 0.00 N ATOM 890 CA LEU A 54 98.799 7.453 -0.997 1.00 0.00 C ATOM 891 C LEU A 54 97.463 8.057 -1.369 1.00 0.00 C ATOM 892 O LEU A 54 97.203 8.432 -2.494 1.00 0.00 O ATOM 893 CB LEU A 54 98.544 6.024 -0.512 1.00 0.00 C ATOM 894 CG LEU A 54 99.839 5.305 -0.113 1.00 0.00 C ATOM 895 CD1 LEU A 54 100.960 6.297 0.216 1.00 0.00 C ATOM 896 CD2 LEU A 54 99.544 4.460 1.122 1.00 0.00 C ATOM 0 H LEU A 54 98.902 8.146 1.017 1.00 0.00 H new ATOM 0 HA LEU A 54 99.500 7.426 -1.831 1.00 0.00 H new ATOM 0 HB2 LEU A 54 97.866 6.048 0.342 1.00 0.00 H new ATOM 0 HB3 LEU A 54 98.045 5.459 -1.299 1.00 0.00 H new ATOM 0 HG LEU A 54 100.174 4.691 -0.949 1.00 0.00 H new ATOM 0 HD11 LEU A 54 101.861 5.749 0.494 1.00 0.00 H new ATOM 0 HD12 LEU A 54 101.167 6.915 -0.657 1.00 0.00 H new ATOM 0 HD13 LEU A 54 100.651 6.933 1.046 1.00 0.00 H new ATOM 0 HD21 LEU A 54 100.449 3.936 1.429 1.00 0.00 H new ATOM 0 HD22 LEU A 54 99.206 5.106 1.932 1.00 0.00 H new ATOM 0 HD23 LEU A 54 98.766 3.733 0.888 1.00 0.00 H new ATOM 908 N PHE A 55 96.628 8.174 -0.387 1.00 0.00 N ATOM 909 CA PHE A 55 95.294 8.775 -0.580 1.00 0.00 C ATOM 910 C PHE A 55 95.413 9.962 -1.544 1.00 0.00 C ATOM 911 O PHE A 55 94.492 10.288 -2.260 1.00 0.00 O ATOM 912 CB PHE A 55 94.824 9.263 0.783 1.00 0.00 C ATOM 913 CG PHE A 55 93.760 8.348 1.334 1.00 0.00 C ATOM 914 CD1 PHE A 55 94.089 7.040 1.707 1.00 0.00 C ATOM 915 CD2 PHE A 55 92.449 8.813 1.489 1.00 0.00 C ATOM 916 CE1 PHE A 55 93.107 6.195 2.235 1.00 0.00 C ATOM 917 CE2 PHE A 55 91.466 7.968 2.015 1.00 0.00 C ATOM 918 CZ PHE A 55 91.794 6.658 2.389 1.00 0.00 C ATOM 0 H PHE A 55 96.821 7.869 0.567 1.00 0.00 H new ATOM 0 HA PHE A 55 94.589 8.055 -0.997 1.00 0.00 H new ATOM 0 HB2 PHE A 55 95.668 9.305 1.472 1.00 0.00 H new ATOM 0 HB3 PHE A 55 94.432 10.276 0.697 1.00 0.00 H new ATOM 0 HD1 PHE A 55 95.101 6.683 1.587 1.00 0.00 H new ATOM 0 HD2 PHE A 55 92.197 9.823 1.203 1.00 0.00 H new ATOM 0 HE1 PHE A 55 93.361 5.186 2.524 1.00 0.00 H new ATOM 0 HE2 PHE A 55 90.454 8.325 2.133 1.00 0.00 H new ATOM 0 HZ PHE A 55 91.035 6.006 2.796 1.00 0.00 H new ATOM 928 N ARG A 56 96.553 10.604 -1.566 1.00 0.00 N ATOM 929 CA ARG A 56 96.750 11.760 -2.486 1.00 0.00 C ATOM 930 C ARG A 56 96.849 11.235 -3.923 1.00 0.00 C ATOM 931 O ARG A 56 96.148 11.683 -4.809 1.00 0.00 O ATOM 932 CB ARG A 56 98.042 12.494 -2.104 1.00 0.00 C ATOM 933 CG ARG A 56 98.523 13.356 -3.276 1.00 0.00 C ATOM 934 CD ARG A 56 97.440 14.369 -3.645 1.00 0.00 C ATOM 935 NE ARG A 56 98.018 15.741 -3.625 1.00 0.00 N ATOM 936 CZ ARG A 56 97.392 16.727 -4.208 1.00 0.00 C ATOM 937 NH1 ARG A 56 96.255 16.515 -4.814 1.00 0.00 N ATOM 938 NH2 ARG A 56 97.905 17.926 -4.186 1.00 0.00 N ATOM 0 H ARG A 56 97.358 10.375 -0.983 1.00 0.00 H new ATOM 0 HA ARG A 56 95.912 12.452 -2.409 1.00 0.00 H new ATOM 0 HB2 ARG A 56 97.869 13.120 -1.229 1.00 0.00 H new ATOM 0 HB3 ARG A 56 98.813 11.773 -1.832 1.00 0.00 H new ATOM 0 HG2 ARG A 56 99.443 13.874 -3.006 1.00 0.00 H new ATOM 0 HG3 ARG A 56 98.753 12.725 -4.135 1.00 0.00 H new ATOM 0 HD2 ARG A 56 97.040 14.146 -4.634 1.00 0.00 H new ATOM 0 HD3 ARG A 56 96.609 14.302 -2.942 1.00 0.00 H new ATOM 0 HE ARG A 56 98.907 15.911 -3.154 1.00 0.00 H new ATOM 0 HH11 ARG A 56 95.854 15.577 -4.833 1.00 0.00 H new ATOM 0 HH12 ARG A 56 95.768 17.287 -5.269 1.00 0.00 H new ATOM 0 HH21 ARG A 56 98.794 18.092 -3.714 1.00 0.00 H new ATOM 0 HH22 ARG A 56 97.417 18.698 -4.641 1.00 0.00 H new ATOM 952 N ASN A 57 97.716 10.284 -4.155 1.00 0.00 N ATOM 953 CA ASN A 57 97.865 9.721 -5.530 1.00 0.00 C ATOM 954 C ASN A 57 96.477 9.432 -6.133 1.00 0.00 C ATOM 955 O ASN A 57 96.322 9.349 -7.333 1.00 0.00 O ATOM 956 CB ASN A 57 98.703 8.430 -5.460 1.00 0.00 C ATOM 957 CG ASN A 57 97.805 7.227 -5.172 1.00 0.00 C ATOM 958 OD1 ASN A 57 97.848 6.671 -3.997 1.00 0.00 O flip ATOM 959 ND2 ASN A 57 97.070 6.782 -6.031 1.00 0.00 N flip ATOM 0 H ASN A 57 98.328 9.872 -3.451 1.00 0.00 H new ATOM 0 HA ASN A 57 98.373 10.443 -6.170 1.00 0.00 H new ATOM 0 HB2 ASN A 57 99.231 8.280 -6.402 1.00 0.00 H new ATOM 0 HB3 ASN A 57 99.460 8.522 -4.681 1.00 0.00 H new ATOM 0 HD21 ASN A 57 97.038 7.220 -6.952 1.00 0.00 H new ATOM 0 HD22 ASN A 57 96.485 5.971 -5.831 1.00 0.00 H new ATOM 966 N TRP A 58 95.474 9.269 -5.311 1.00 0.00 N ATOM 967 CA TRP A 58 94.104 8.977 -5.838 1.00 0.00 C ATOM 968 C TRP A 58 93.782 9.862 -7.045 1.00 0.00 C ATOM 969 O TRP A 58 93.419 9.378 -8.096 1.00 0.00 O ATOM 970 CB TRP A 58 93.066 9.248 -4.749 1.00 0.00 C ATOM 971 CG TRP A 58 92.654 7.960 -4.115 1.00 0.00 C ATOM 972 CD1 TRP A 58 91.468 7.739 -3.506 1.00 0.00 C ATOM 973 CD2 TRP A 58 93.403 6.717 -4.018 1.00 0.00 C ATOM 974 NE1 TRP A 58 91.441 6.436 -3.045 1.00 0.00 N ATOM 975 CE2 TRP A 58 92.612 5.766 -3.335 1.00 0.00 C ATOM 976 CE3 TRP A 58 94.678 6.327 -4.453 1.00 0.00 C ATOM 977 CZ2 TRP A 58 93.071 4.471 -3.092 1.00 0.00 C ATOM 978 CZ3 TRP A 58 95.144 5.025 -4.211 1.00 0.00 C ATOM 979 CH2 TRP A 58 94.342 4.100 -3.532 1.00 0.00 C ATOM 0 H TRP A 58 95.543 9.325 -4.295 1.00 0.00 H new ATOM 0 HA TRP A 58 94.075 7.931 -6.142 1.00 0.00 H new ATOM 0 HB2 TRP A 58 93.481 9.919 -3.996 1.00 0.00 H new ATOM 0 HB3 TRP A 58 92.197 9.748 -5.177 1.00 0.00 H new ATOM 0 HD1 TRP A 58 90.672 8.461 -3.397 1.00 0.00 H new ATOM 0 HE1 TRP A 58 90.652 6.020 -2.551 1.00 0.00 H new ATOM 0 HE3 TRP A 58 95.305 7.033 -4.977 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 92.448 3.762 -2.568 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 96.127 4.735 -4.551 1.00 0.00 H new ATOM 0 HH2 TRP A 58 94.707 3.100 -3.349 1.00 0.00 H new ATOM 990 N ALA A 59 93.882 11.154 -6.901 1.00 0.00 N ATOM 991 CA ALA A 59 93.546 12.056 -8.043 1.00 0.00 C ATOM 992 C ALA A 59 94.734 12.174 -9.006 1.00 0.00 C ATOM 993 O ALA A 59 95.016 13.235 -9.524 1.00 0.00 O ATOM 994 CB ALA A 59 93.190 13.439 -7.495 1.00 0.00 C ATOM 0 H ALA A 59 94.180 11.625 -6.047 1.00 0.00 H new ATOM 0 HA ALA A 59 92.700 11.640 -8.589 1.00 0.00 H new ATOM 0 HB1 ALA A 59 92.943 14.105 -8.321 1.00 0.00 H new ATOM 0 HB2 ALA A 59 92.333 13.356 -6.827 1.00 0.00 H new ATOM 0 HB3 ALA A 59 94.040 13.843 -6.945 1.00 0.00 H new ATOM 1000 N ILE A 60 95.428 11.096 -9.258 1.00 0.00 N ATOM 1001 CA ILE A 60 96.589 11.152 -10.192 1.00 0.00 C ATOM 1002 C ILE A 60 96.783 9.778 -10.844 1.00 0.00 C ATOM 1003 O ILE A 60 96.602 9.614 -12.034 1.00 0.00 O ATOM 1004 CB ILE A 60 97.860 11.532 -9.421 1.00 0.00 C ATOM 1005 CG1 ILE A 60 97.656 12.870 -8.702 1.00 0.00 C ATOM 1006 CG2 ILE A 60 99.026 11.667 -10.400 1.00 0.00 C ATOM 1007 CD1 ILE A 60 96.930 12.642 -7.375 1.00 0.00 C ATOM 0 H ILE A 60 95.240 10.178 -8.856 1.00 0.00 H new ATOM 0 HA ILE A 60 96.397 11.901 -10.960 1.00 0.00 H new ATOM 0 HB ILE A 60 98.076 10.755 -8.688 1.00 0.00 H new ATOM 0 HG12 ILE A 60 98.620 13.347 -8.522 1.00 0.00 H new ATOM 0 HG13 ILE A 60 97.078 13.547 -9.331 1.00 0.00 H new ATOM 0 HG21 ILE A 60 99.930 11.937 -9.854 1.00 0.00 H new ATOM 0 HG22 ILE A 60 99.182 10.718 -10.913 1.00 0.00 H new ATOM 0 HG23 ILE A 60 98.799 12.442 -11.132 1.00 0.00 H new ATOM 0 HD11 ILE A 60 96.788 13.597 -6.869 1.00 0.00 H new ATOM 0 HD12 ILE A 60 95.959 12.185 -7.565 1.00 0.00 H new ATOM 0 HD13 ILE A 60 97.525 11.982 -6.744 1.00 0.00 H new ATOM 1019 N HIS A 61 97.153 8.790 -10.073 1.00 0.00 N ATOM 1020 CA HIS A 61 97.361 7.427 -10.647 1.00 0.00 C ATOM 1021 C HIS A 61 96.027 6.852 -11.130 1.00 0.00 C ATOM 1022 O HIS A 61 95.823 6.649 -12.311 1.00 0.00 O ATOM 1023 CB HIS A 61 97.952 6.505 -9.576 1.00 0.00 C ATOM 1024 CG HIS A 61 98.027 5.100 -10.112 1.00 0.00 C ATOM 1025 ND1 HIS A 61 97.265 3.982 -9.872 1.00 0.00 N flip ATOM 1026 CD2 HIS A 61 98.997 4.707 -11.022 1.00 0.00 C flip ATOM 1027 CE1 HIS A 61 97.751 2.914 -10.620 1.00 0.00 C flip ATOM 1028 NE2 HIS A 61 98.794 3.404 -11.294 1.00 0.00 N flip ATOM 0 H HIS A 61 97.320 8.867 -9.070 1.00 0.00 H new ATOM 0 HA HIS A 61 98.047 7.498 -11.491 1.00 0.00 H new ATOM 0 HB2 HIS A 61 98.946 6.851 -9.291 1.00 0.00 H new ATOM 0 HB3 HIS A 61 97.335 6.531 -8.678 1.00 0.00 H new ATOM 0 HD1 HIS A 61 96.464 3.941 -9.241 1.00 0.00 H new ATOM 0 HD2 HIS A 61 99.774 5.332 -11.437 1.00 0.00 H new ATOM 0 HE1 HIS A 61 97.367 1.905 -10.649 1.00 0.00 H new ATOM 1036 N THR A 62 95.121 6.580 -10.227 1.00 0.00 N ATOM 1037 CA THR A 62 93.802 6.009 -10.636 1.00 0.00 C ATOM 1038 C THR A 62 93.307 6.709 -11.904 1.00 0.00 C ATOM 1039 O THR A 62 92.624 6.124 -12.720 1.00 0.00 O ATOM 1040 CB THR A 62 92.780 6.210 -9.513 1.00 0.00 C ATOM 1041 OG1 THR A 62 92.580 7.600 -9.301 1.00 0.00 O ATOM 1042 CG2 THR A 62 93.292 5.564 -8.223 1.00 0.00 C ATOM 0 H THR A 62 95.237 6.728 -9.225 1.00 0.00 H new ATOM 0 HA THR A 62 93.921 4.943 -10.832 1.00 0.00 H new ATOM 0 HB THR A 62 91.836 5.744 -9.797 1.00 0.00 H new ATOM 0 HG1 THR A 62 93.110 7.893 -8.530 1.00 0.00 H new ATOM 0 HG21 THR A 62 92.561 5.710 -7.428 1.00 0.00 H new ATOM 0 HG22 THR A 62 93.443 4.497 -8.386 1.00 0.00 H new ATOM 0 HG23 THR A 62 94.237 6.024 -7.936 1.00 0.00 H new ATOM 1050 N GLY A 63 93.644 7.958 -12.076 1.00 0.00 N ATOM 1051 CA GLY A 63 93.188 8.688 -13.292 1.00 0.00 C ATOM 1052 C GLY A 63 91.860 9.384 -12.999 1.00 0.00 C ATOM 1053 O GLY A 63 90.914 9.282 -13.755 1.00 0.00 O ATOM 0 H GLY A 63 94.214 8.503 -11.429 1.00 0.00 H new ATOM 0 HA2 GLY A 63 93.937 9.421 -13.591 1.00 0.00 H new ATOM 0 HA3 GLY A 63 93.071 7.994 -14.124 1.00 0.00 H new ATOM 1057 N LYS A 64 91.782 10.094 -11.907 1.00 0.00 N ATOM 1058 CA LYS A 64 90.516 10.798 -11.565 1.00 0.00 C ATOM 1059 C LYS A 64 90.780 12.302 -11.468 1.00 0.00 C ATOM 1060 O LYS A 64 89.921 13.068 -11.080 1.00 0.00 O ATOM 1061 CB LYS A 64 89.992 10.285 -10.222 1.00 0.00 C ATOM 1062 CG LYS A 64 88.949 9.193 -10.467 1.00 0.00 C ATOM 1063 CD LYS A 64 89.647 7.915 -10.938 1.00 0.00 C ATOM 1064 CE LYS A 64 89.124 7.529 -12.323 1.00 0.00 C ATOM 1065 NZ LYS A 64 87.896 6.698 -12.178 1.00 0.00 N ATOM 0 H LYS A 64 92.541 10.216 -11.237 1.00 0.00 H new ATOM 0 HA LYS A 64 89.774 10.608 -12.340 1.00 0.00 H new ATOM 0 HB2 LYS A 64 90.814 9.890 -9.625 1.00 0.00 H new ATOM 0 HB3 LYS A 64 89.550 11.104 -9.654 1.00 0.00 H new ATOM 0 HG2 LYS A 64 88.390 8.998 -9.552 1.00 0.00 H new ATOM 0 HG3 LYS A 64 88.230 9.524 -11.216 1.00 0.00 H new ATOM 0 HD2 LYS A 64 90.725 8.069 -10.975 1.00 0.00 H new ATOM 0 HD3 LYS A 64 89.465 7.106 -10.230 1.00 0.00 H new ATOM 0 HE2 LYS A 64 88.903 8.425 -12.902 1.00 0.00 H new ATOM 0 HE3 LYS A 64 89.887 6.976 -12.870 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 87.541 6.436 -13.120 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 88.121 5.836 -11.641 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 87.167 7.241 -11.672 1.00 0.00 H new ATOM 1079 N HIS A 65 91.961 12.732 -11.819 1.00 0.00 N ATOM 1080 CA HIS A 65 92.272 14.187 -11.746 1.00 0.00 C ATOM 1081 C HIS A 65 93.754 14.412 -12.057 1.00 0.00 C ATOM 1082 O HIS A 65 94.567 13.513 -11.970 1.00 0.00 O ATOM 1083 CB HIS A 65 91.947 14.711 -10.336 1.00 0.00 C ATOM 1084 CG HIS A 65 92.771 15.941 -10.029 1.00 0.00 C ATOM 1085 ND1 HIS A 65 94.036 16.089 -9.516 1.00 0.00 N flip ATOM 1086 CD2 HIS A 65 92.307 17.227 -10.266 1.00 0.00 C flip ATOM 1087 CE1 HIS A 65 94.355 17.440 -9.433 1.00 0.00 C flip ATOM 1088 NE2 HIS A 65 93.280 18.082 -9.897 1.00 0.00 N flip ATOM 0 H HIS A 65 92.722 12.140 -12.152 1.00 0.00 H new ATOM 0 HA HIS A 65 91.669 14.726 -12.477 1.00 0.00 H new ATOM 0 HB2 HIS A 65 90.886 14.949 -10.265 1.00 0.00 H new ATOM 0 HB3 HIS A 65 92.150 13.936 -9.597 1.00 0.00 H new ATOM 0 HD1 HIS A 65 94.650 15.323 -9.238 1.00 0.00 H new ATOM 0 HD2 HIS A 65 91.342 17.494 -10.672 1.00 0.00 H new ATOM 0 HE1 HIS A 65 95.274 17.876 -9.071 1.00 0.00 H new ATOM 0 HE2 HIS A 65 93.205 19.097 -9.964 1.00 0.00 H new ATOM 1096 N GLN A 66 94.101 15.617 -12.403 1.00 0.00 N ATOM 1097 CA GLN A 66 95.520 15.938 -12.708 1.00 0.00 C ATOM 1098 C GLN A 66 95.810 17.356 -12.207 1.00 0.00 C ATOM 1099 O GLN A 66 94.945 18.209 -12.243 1.00 0.00 O ATOM 1100 CB GLN A 66 95.753 15.858 -14.219 1.00 0.00 C ATOM 1101 CG GLN A 66 95.696 14.395 -14.666 1.00 0.00 C ATOM 1102 CD GLN A 66 95.694 14.323 -16.194 1.00 0.00 C ATOM 1103 OE1 GLN A 66 96.490 15.103 -16.874 1.00 0.00 O flip ATOM 1104 NE2 GLN A 66 94.959 13.551 -16.776 1.00 0.00 N flip ATOM 0 H GLN A 66 93.455 16.402 -12.488 1.00 0.00 H new ATOM 0 HA GLN A 66 96.183 15.227 -12.216 1.00 0.00 H new ATOM 0 HB2 GLN A 66 94.997 16.440 -14.746 1.00 0.00 H new ATOM 0 HB3 GLN A 66 96.721 16.290 -14.472 1.00 0.00 H new ATOM 0 HG2 GLN A 66 96.551 13.849 -14.268 1.00 0.00 H new ATOM 0 HG3 GLN A 66 94.800 13.918 -14.269 1.00 0.00 H new ATOM 0 HE21 GLN A 66 94.337 12.941 -16.246 1.00 0.00 H new ATOM 0 HE22 GLN A 66 94.964 13.512 -17.795 1.00 0.00 H new ATOM 1113 N PRO A 67 97.015 17.565 -11.746 1.00 0.00 N ATOM 1114 CA PRO A 67 97.438 18.872 -11.218 1.00 0.00 C ATOM 1115 C PRO A 67 97.711 19.844 -12.367 1.00 0.00 C ATOM 1116 O PRO A 67 98.529 19.589 -13.228 1.00 0.00 O ATOM 1117 CB PRO A 67 98.722 18.552 -10.451 1.00 0.00 C ATOM 1118 CG PRO A 67 99.262 17.226 -11.039 1.00 0.00 C ATOM 1119 CD PRO A 67 98.065 16.527 -11.712 1.00 0.00 C ATOM 0 HA PRO A 67 96.685 19.348 -10.591 1.00 0.00 H new ATOM 0 HB2 PRO A 67 99.452 19.353 -10.564 1.00 0.00 H new ATOM 0 HB3 PRO A 67 98.522 18.451 -9.384 1.00 0.00 H new ATOM 0 HG2 PRO A 67 100.056 17.417 -11.761 1.00 0.00 H new ATOM 0 HG3 PRO A 67 99.687 16.599 -10.256 1.00 0.00 H new ATOM 0 HD2 PRO A 67 98.317 16.182 -12.715 1.00 0.00 H new ATOM 0 HD3 PRO A 67 97.744 15.653 -11.145 1.00 0.00 H new ATOM 1127 N GLY A 68 97.029 20.956 -12.388 1.00 0.00 N ATOM 1128 CA GLY A 68 97.246 21.943 -13.482 1.00 0.00 C ATOM 1129 C GLY A 68 96.254 21.675 -14.616 1.00 0.00 C ATOM 1130 O GLY A 68 96.396 22.184 -15.709 1.00 0.00 O ATOM 0 H GLY A 68 96.331 21.223 -11.694 1.00 0.00 H new ATOM 0 HA2 GLY A 68 97.116 22.957 -13.103 1.00 0.00 H new ATOM 0 HA3 GLY A 68 98.268 21.871 -13.854 1.00 0.00 H new ATOM 1134 N ILE A 69 95.250 20.880 -14.364 1.00 0.00 N ATOM 1135 CA ILE A 69 94.252 20.582 -15.430 1.00 0.00 C ATOM 1136 C ILE A 69 92.846 20.551 -14.824 1.00 0.00 C ATOM 1137 O ILE A 69 92.054 21.449 -15.024 1.00 0.00 O ATOM 1138 CB ILE A 69 94.570 19.223 -16.057 1.00 0.00 C ATOM 1139 CG1 ILE A 69 95.828 19.346 -16.919 1.00 0.00 C ATOM 1140 CG2 ILE A 69 93.398 18.773 -16.930 1.00 0.00 C ATOM 1141 CD1 ILE A 69 96.610 18.033 -16.873 1.00 0.00 C ATOM 0 H ILE A 69 95.078 20.425 -13.468 1.00 0.00 H new ATOM 0 HA ILE A 69 94.296 21.356 -16.196 1.00 0.00 H new ATOM 0 HB ILE A 69 94.735 18.489 -15.268 1.00 0.00 H new ATOM 0 HG12 ILE A 69 95.555 19.583 -17.947 1.00 0.00 H new ATOM 0 HG13 ILE A 69 96.450 20.165 -16.558 1.00 0.00 H new ATOM 0 HG21 ILE A 69 93.627 17.805 -17.375 1.00 0.00 H new ATOM 0 HG22 ILE A 69 92.500 18.688 -16.318 1.00 0.00 H new ATOM 0 HG23 ILE A 69 93.230 19.505 -17.720 1.00 0.00 H new ATOM 0 HD11 ILE A 69 97.506 18.121 -17.487 1.00 0.00 H new ATOM 0 HD12 ILE A 69 96.896 17.816 -15.844 1.00 0.00 H new ATOM 0 HD13 ILE A 69 95.987 17.225 -17.255 1.00 0.00 H new ATOM 1153 N ASP A 70 92.530 19.521 -14.086 1.00 0.00 N ATOM 1154 CA ASP A 70 91.175 19.432 -13.470 1.00 0.00 C ATOM 1155 C ASP A 70 91.217 20.002 -12.051 1.00 0.00 C ATOM 1156 O ASP A 70 92.271 20.248 -11.499 1.00 0.00 O ATOM 1157 CB ASP A 70 90.736 17.967 -13.415 1.00 0.00 C ATOM 1158 CG ASP A 70 89.693 17.705 -14.501 1.00 0.00 C ATOM 1159 OD1 ASP A 70 88.569 18.146 -14.334 1.00 0.00 O ATOM 1160 OD2 ASP A 70 90.036 17.065 -15.482 1.00 0.00 O ATOM 0 H ASP A 70 93.151 18.738 -13.883 1.00 0.00 H new ATOM 0 HA ASP A 70 90.467 20.004 -14.070 1.00 0.00 H new ATOM 0 HB2 ASP A 70 91.596 17.313 -13.557 1.00 0.00 H new ATOM 0 HB3 ASP A 70 90.320 17.738 -12.434 1.00 0.00 H new ATOM 1165 N LYS A 71 90.074 20.209 -11.455 1.00 0.00 N ATOM 1166 CA LYS A 71 90.041 20.760 -10.070 1.00 0.00 C ATOM 1167 C LYS A 71 90.273 19.625 -9.066 1.00 0.00 C ATOM 1168 O LYS A 71 89.898 18.496 -9.311 1.00 0.00 O ATOM 1169 CB LYS A 71 88.677 21.404 -9.812 1.00 0.00 C ATOM 1170 CG LYS A 71 88.750 22.900 -10.130 1.00 0.00 C ATOM 1171 CD LYS A 71 88.197 23.151 -11.535 1.00 0.00 C ATOM 1172 CE LYS A 71 88.801 24.440 -12.097 1.00 0.00 C ATOM 1173 NZ LYS A 71 88.704 25.521 -11.076 1.00 0.00 N ATOM 0 H LYS A 71 89.161 20.020 -11.868 1.00 0.00 H new ATOM 0 HA LYS A 71 90.823 21.511 -9.955 1.00 0.00 H new ATOM 0 HB2 LYS A 71 87.915 20.927 -10.429 1.00 0.00 H new ATOM 0 HB3 LYS A 71 88.384 21.256 -8.773 1.00 0.00 H new ATOM 0 HG2 LYS A 71 88.178 23.467 -9.396 1.00 0.00 H new ATOM 0 HG3 LYS A 71 89.782 23.246 -10.066 1.00 0.00 H new ATOM 0 HD2 LYS A 71 88.435 22.311 -12.187 1.00 0.00 H new ATOM 0 HD3 LYS A 71 87.110 23.230 -11.501 1.00 0.00 H new ATOM 0 HE2 LYS A 71 89.843 24.276 -12.371 1.00 0.00 H new ATOM 0 HE3 LYS A 71 88.275 24.735 -13.005 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 88.771 26.447 -11.544 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 87.793 25.449 -10.580 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 89.480 25.422 -10.391 1.00 0.00 H new ATOM 1187 N PRO A 72 90.892 19.963 -7.963 1.00 0.00 N ATOM 1188 CA PRO A 72 91.203 18.994 -6.893 1.00 0.00 C ATOM 1189 C PRO A 72 89.961 18.694 -6.046 1.00 0.00 C ATOM 1190 O PRO A 72 89.520 19.510 -5.263 1.00 0.00 O ATOM 1191 CB PRO A 72 92.265 19.715 -6.058 1.00 0.00 C ATOM 1192 CG PRO A 72 92.091 21.226 -6.341 1.00 0.00 C ATOM 1193 CD PRO A 72 91.342 21.341 -7.681 1.00 0.00 C ATOM 0 HA PRO A 72 91.541 18.032 -7.278 1.00 0.00 H new ATOM 0 HB2 PRO A 72 92.136 19.501 -4.997 1.00 0.00 H new ATOM 0 HB3 PRO A 72 93.266 19.381 -6.331 1.00 0.00 H new ATOM 0 HG2 PRO A 72 91.529 21.708 -5.541 1.00 0.00 H new ATOM 0 HG3 PRO A 72 93.059 21.724 -6.395 1.00 0.00 H new ATOM 0 HD2 PRO A 72 90.499 22.028 -7.609 1.00 0.00 H new ATOM 0 HD3 PRO A 72 91.993 21.717 -8.470 1.00 0.00 H new ATOM 1201 N ASP A 73 89.402 17.523 -6.194 1.00 0.00 N ATOM 1202 CA ASP A 73 88.197 17.163 -5.394 1.00 0.00 C ATOM 1203 C ASP A 73 88.593 16.146 -4.315 1.00 0.00 C ATOM 1204 O ASP A 73 88.754 14.977 -4.603 1.00 0.00 O ATOM 1205 CB ASP A 73 87.144 16.540 -6.313 1.00 0.00 C ATOM 1206 CG ASP A 73 86.158 17.616 -6.766 1.00 0.00 C ATOM 1207 OD1 ASP A 73 86.284 18.739 -6.306 1.00 0.00 O ATOM 1208 OD2 ASP A 73 85.292 17.299 -7.566 1.00 0.00 O ATOM 0 H ASP A 73 89.728 16.800 -6.835 1.00 0.00 H new ATOM 0 HA ASP A 73 87.788 18.058 -4.925 1.00 0.00 H new ATOM 0 HB2 ASP A 73 87.625 16.086 -7.179 1.00 0.00 H new ATOM 0 HB3 ASP A 73 86.614 15.744 -5.789 1.00 0.00 H new ATOM 1213 N PRO A 74 88.747 16.623 -3.104 1.00 0.00 N ATOM 1214 CA PRO A 74 89.135 15.774 -1.963 1.00 0.00 C ATOM 1215 C PRO A 74 87.936 14.971 -1.450 1.00 0.00 C ATOM 1216 O PRO A 74 88.037 14.235 -0.487 1.00 0.00 O ATOM 1217 CB PRO A 74 89.606 16.781 -0.910 1.00 0.00 C ATOM 1218 CG PRO A 74 88.946 18.133 -1.273 1.00 0.00 C ATOM 1219 CD PRO A 74 88.550 18.046 -2.759 1.00 0.00 C ATOM 0 HA PRO A 74 89.899 15.040 -2.220 1.00 0.00 H new ATOM 0 HB2 PRO A 74 89.314 16.462 0.090 1.00 0.00 H new ATOM 0 HB3 PRO A 74 90.693 16.866 -0.913 1.00 0.00 H new ATOM 0 HG2 PRO A 74 88.071 18.317 -0.649 1.00 0.00 H new ATOM 0 HG3 PRO A 74 89.637 18.959 -1.104 1.00 0.00 H new ATOM 0 HD2 PRO A 74 87.516 18.354 -2.914 1.00 0.00 H new ATOM 0 HD3 PRO A 74 89.172 18.695 -3.376 1.00 0.00 H new ATOM 1227 N LYS A 75 86.803 15.101 -2.082 1.00 0.00 N ATOM 1228 CA LYS A 75 85.607 14.340 -1.624 1.00 0.00 C ATOM 1229 C LYS A 75 85.652 12.922 -2.198 1.00 0.00 C ATOM 1230 O LYS A 75 85.482 11.950 -1.491 1.00 0.00 O ATOM 1231 CB LYS A 75 84.338 15.044 -2.107 1.00 0.00 C ATOM 1232 CG LYS A 75 83.977 16.168 -1.136 1.00 0.00 C ATOM 1233 CD LYS A 75 82.801 16.969 -1.697 1.00 0.00 C ATOM 1234 CE LYS A 75 82.167 17.793 -0.576 1.00 0.00 C ATOM 1235 NZ LYS A 75 83.106 18.874 -0.164 1.00 0.00 N ATOM 0 H LYS A 75 86.653 15.700 -2.894 1.00 0.00 H new ATOM 0 HA LYS A 75 85.604 14.291 -0.535 1.00 0.00 H new ATOM 0 HB2 LYS A 75 84.492 15.449 -3.107 1.00 0.00 H new ATOM 0 HB3 LYS A 75 83.517 14.330 -2.175 1.00 0.00 H new ATOM 0 HG2 LYS A 75 83.716 15.752 -0.163 1.00 0.00 H new ATOM 0 HG3 LYS A 75 84.836 16.821 -0.984 1.00 0.00 H new ATOM 0 HD2 LYS A 75 83.143 17.625 -2.497 1.00 0.00 H new ATOM 0 HD3 LYS A 75 82.062 16.295 -2.131 1.00 0.00 H new ATOM 0 HE2 LYS A 75 81.225 18.224 -0.915 1.00 0.00 H new ATOM 0 HE3 LYS A 75 81.936 17.153 0.275 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 82.627 19.516 0.499 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 83.937 18.454 0.300 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 83.411 19.408 -1.003 1.00 0.00 H new ATOM 1249 N THR A 76 85.880 12.797 -3.476 1.00 0.00 N ATOM 1250 CA THR A 76 85.936 11.443 -4.093 1.00 0.00 C ATOM 1251 C THR A 76 87.292 10.800 -3.791 1.00 0.00 C ATOM 1252 O THR A 76 87.509 9.634 -4.054 1.00 0.00 O ATOM 1253 CB THR A 76 85.758 11.566 -5.609 1.00 0.00 C ATOM 1254 OG1 THR A 76 85.090 12.787 -5.909 1.00 0.00 O ATOM 1255 CG2 THR A 76 84.936 10.383 -6.127 1.00 0.00 C ATOM 0 H THR A 76 86.030 13.574 -4.119 1.00 0.00 H new ATOM 0 HA THR A 76 85.139 10.823 -3.681 1.00 0.00 H new ATOM 0 HB THR A 76 86.735 11.561 -6.093 1.00 0.00 H new ATOM 0 HG1 THR A 76 84.977 12.868 -6.879 1.00 0.00 H new ATOM 0 HG21 THR A 76 84.810 10.472 -7.206 1.00 0.00 H new ATOM 0 HG22 THR A 76 85.454 9.452 -5.898 1.00 0.00 H new ATOM 0 HG23 THR A 76 83.958 10.382 -5.647 1.00 0.00 H new ATOM 1263 N TRP A 77 88.206 11.553 -3.243 1.00 0.00 N ATOM 1264 CA TRP A 77 89.548 10.987 -2.928 1.00 0.00 C ATOM 1265 C TRP A 77 89.457 10.106 -1.680 1.00 0.00 C ATOM 1266 O TRP A 77 90.390 9.409 -1.333 1.00 0.00 O ATOM 1267 CB TRP A 77 90.531 12.131 -2.669 1.00 0.00 C ATOM 1268 CG TRP A 77 90.668 12.963 -3.904 1.00 0.00 C ATOM 1269 CD1 TRP A 77 90.132 12.658 -5.109 1.00 0.00 C ATOM 1270 CD2 TRP A 77 91.375 14.225 -4.077 1.00 0.00 C ATOM 1271 NE1 TRP A 77 90.466 13.653 -6.010 1.00 0.00 N ATOM 1272 CE2 TRP A 77 91.231 14.640 -5.421 1.00 0.00 C ATOM 1273 CE3 TRP A 77 92.120 15.041 -3.207 1.00 0.00 C ATOM 1274 CZ2 TRP A 77 91.804 15.824 -5.887 1.00 0.00 C ATOM 1275 CZ3 TRP A 77 92.700 16.233 -3.672 1.00 0.00 C ATOM 1276 CH2 TRP A 77 92.542 16.623 -5.009 1.00 0.00 C ATOM 0 H TRP A 77 88.081 12.536 -3.000 1.00 0.00 H new ATOM 0 HA TRP A 77 89.894 10.387 -3.770 1.00 0.00 H new ATOM 0 HB2 TRP A 77 90.179 12.746 -1.841 1.00 0.00 H new ATOM 0 HB3 TRP A 77 91.502 11.731 -2.378 1.00 0.00 H new ATOM 0 HD1 TRP A 77 89.541 11.782 -5.331 1.00 0.00 H new ATOM 0 HE1 TRP A 77 90.182 13.657 -6.990 1.00 0.00 H new ATOM 0 HE3 TRP A 77 92.247 14.749 -2.175 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 91.678 16.121 -6.918 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 93.271 16.852 -2.996 1.00 0.00 H new ATOM 0 HH2 TRP A 77 92.990 17.540 -5.361 1.00 0.00 H new ATOM 1287 N LYS A 78 88.344 10.135 -1.001 1.00 0.00 N ATOM 1288 CA LYS A 78 88.198 9.304 0.227 1.00 0.00 C ATOM 1289 C LYS A 78 87.188 8.182 -0.027 1.00 0.00 C ATOM 1290 O LYS A 78 87.135 7.208 0.698 1.00 0.00 O ATOM 1291 CB LYS A 78 87.702 10.185 1.377 1.00 0.00 C ATOM 1292 CG LYS A 78 87.881 9.447 2.706 1.00 0.00 C ATOM 1293 CD LYS A 78 88.985 10.125 3.519 1.00 0.00 C ATOM 1294 CE LYS A 78 89.204 9.357 4.824 1.00 0.00 C ATOM 1295 NZ LYS A 78 89.230 10.314 5.965 1.00 0.00 N ATOM 0 H LYS A 78 87.529 10.698 -1.243 1.00 0.00 H new ATOM 0 HA LYS A 78 89.163 8.868 0.487 1.00 0.00 H new ATOM 0 HB2 LYS A 78 88.256 11.124 1.394 1.00 0.00 H new ATOM 0 HB3 LYS A 78 86.652 10.437 1.228 1.00 0.00 H new ATOM 0 HG2 LYS A 78 86.946 9.452 3.266 1.00 0.00 H new ATOM 0 HG3 LYS A 78 88.137 8.403 2.523 1.00 0.00 H new ATOM 0 HD2 LYS A 78 89.910 10.154 2.943 1.00 0.00 H new ATOM 0 HD3 LYS A 78 88.711 11.158 3.734 1.00 0.00 H new ATOM 0 HE2 LYS A 78 88.408 8.626 4.966 1.00 0.00 H new ATOM 0 HE3 LYS A 78 90.141 8.802 4.779 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 89.379 9.792 6.852 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 90.004 10.995 5.830 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 88.325 10.824 6.011 1.00 0.00 H new ATOM 1309 N ALA A 79 86.381 8.316 -1.044 1.00 0.00 N ATOM 1310 CA ALA A 79 85.369 7.262 -1.338 1.00 0.00 C ATOM 1311 C ALA A 79 85.964 6.217 -2.288 1.00 0.00 C ATOM 1312 O ALA A 79 85.629 5.051 -2.231 1.00 0.00 O ATOM 1313 CB ALA A 79 84.142 7.904 -1.991 1.00 0.00 C ATOM 0 H ALA A 79 86.379 9.110 -1.684 1.00 0.00 H new ATOM 0 HA ALA A 79 85.078 6.775 -0.407 1.00 0.00 H new ATOM 0 HB1 ALA A 79 83.400 7.135 -2.207 1.00 0.00 H new ATOM 0 HB2 ALA A 79 83.713 8.642 -1.313 1.00 0.00 H new ATOM 0 HB3 ALA A 79 84.438 8.393 -2.919 1.00 0.00 H new ATOM 1319 N ASN A 80 86.836 6.627 -3.166 1.00 0.00 N ATOM 1320 CA ASN A 80 87.442 5.659 -4.126 1.00 0.00 C ATOM 1321 C ASN A 80 88.353 4.677 -3.381 1.00 0.00 C ATOM 1322 O ASN A 80 88.669 3.615 -3.879 1.00 0.00 O ATOM 1323 CB ASN A 80 88.268 6.424 -5.160 1.00 0.00 C ATOM 1324 CG ASN A 80 87.394 6.748 -6.373 1.00 0.00 C ATOM 1325 OD1 ASN A 80 86.209 7.262 -6.190 1.00 0.00 O flip ATOM 1326 ND2 ASN A 80 87.793 6.530 -7.500 1.00 0.00 N flip ATOM 0 H ASN A 80 87.156 7.591 -3.261 1.00 0.00 H new ATOM 0 HA ASN A 80 86.646 5.103 -4.621 1.00 0.00 H new ATOM 0 HB2 ASN A 80 88.657 7.344 -4.722 1.00 0.00 H new ATOM 0 HB3 ASN A 80 89.128 5.829 -5.467 1.00 0.00 H new ATOM 0 HD21 ASN A 80 88.719 6.128 -7.644 1.00 0.00 H new ATOM 0 HD22 ASN A 80 87.202 6.749 -8.302 1.00 0.00 H new ATOM 1333 N PHE A 81 88.783 5.024 -2.199 1.00 0.00 N ATOM 1334 CA PHE A 81 89.683 4.109 -1.436 1.00 0.00 C ATOM 1335 C PHE A 81 88.862 2.989 -0.799 1.00 0.00 C ATOM 1336 O PHE A 81 89.082 1.821 -1.053 1.00 0.00 O ATOM 1337 CB PHE A 81 90.402 4.901 -0.341 1.00 0.00 C ATOM 1338 CG PHE A 81 91.824 4.409 -0.209 1.00 0.00 C ATOM 1339 CD1 PHE A 81 92.076 3.071 0.123 1.00 0.00 C ATOM 1340 CD2 PHE A 81 92.889 5.291 -0.420 1.00 0.00 C ATOM 1341 CE1 PHE A 81 93.396 2.619 0.243 1.00 0.00 C ATOM 1342 CE2 PHE A 81 94.208 4.838 -0.301 1.00 0.00 C ATOM 1343 CZ PHE A 81 94.462 3.502 0.031 1.00 0.00 C ATOM 0 H PHE A 81 88.552 5.899 -1.728 1.00 0.00 H new ATOM 0 HA PHE A 81 90.416 3.675 -2.115 1.00 0.00 H new ATOM 0 HB2 PHE A 81 90.395 5.964 -0.583 1.00 0.00 H new ATOM 0 HB3 PHE A 81 89.878 4.787 0.608 1.00 0.00 H new ATOM 0 HD1 PHE A 81 91.254 2.390 0.286 1.00 0.00 H new ATOM 0 HD2 PHE A 81 92.693 6.322 -0.675 1.00 0.00 H new ATOM 0 HE1 PHE A 81 93.592 1.588 0.499 1.00 0.00 H new ATOM 0 HE2 PHE A 81 95.030 5.519 -0.465 1.00 0.00 H new ATOM 0 HZ PHE A 81 95.480 3.152 0.124 1.00 0.00 H new ATOM 1353 N ARG A 82 87.921 3.332 0.034 1.00 0.00 N ATOM 1354 CA ARG A 82 87.091 2.286 0.692 1.00 0.00 C ATOM 1355 C ARG A 82 86.498 1.358 -0.370 1.00 0.00 C ATOM 1356 O ARG A 82 86.310 0.180 -0.139 1.00 0.00 O ATOM 1357 CB ARG A 82 85.967 2.952 1.485 1.00 0.00 C ATOM 1358 CG ARG A 82 86.437 3.209 2.921 1.00 0.00 C ATOM 1359 CD ARG A 82 87.829 3.848 2.901 1.00 0.00 C ATOM 1360 NE ARG A 82 88.069 4.562 4.188 1.00 0.00 N ATOM 1361 CZ ARG A 82 88.438 3.897 5.252 1.00 0.00 C ATOM 1362 NH1 ARG A 82 88.601 2.602 5.195 1.00 0.00 N ATOM 1363 NH2 ARG A 82 88.643 4.529 6.376 1.00 0.00 N ATOM 0 H ARG A 82 87.690 4.293 0.288 1.00 0.00 H new ATOM 0 HA ARG A 82 87.712 1.701 1.370 1.00 0.00 H new ATOM 0 HB2 ARG A 82 85.680 3.891 1.011 1.00 0.00 H new ATOM 0 HB3 ARG A 82 85.083 2.314 1.489 1.00 0.00 H new ATOM 0 HG2 ARG A 82 85.732 3.865 3.433 1.00 0.00 H new ATOM 0 HG3 ARG A 82 86.464 2.273 3.478 1.00 0.00 H new ATOM 0 HD2 ARG A 82 88.590 3.082 2.751 1.00 0.00 H new ATOM 0 HD3 ARG A 82 87.909 4.545 2.066 1.00 0.00 H new ATOM 0 HE ARG A 82 87.945 5.573 4.239 1.00 0.00 H new ATOM 0 HH11 ARG A 82 88.440 2.106 4.318 1.00 0.00 H new ATOM 0 HH12 ARG A 82 88.889 2.087 6.027 1.00 0.00 H new ATOM 0 HH21 ARG A 82 88.515 5.540 6.423 1.00 0.00 H new ATOM 0 HH22 ARG A 82 88.931 4.012 7.207 1.00 0.00 H new ATOM 1377 N CYS A 83 86.209 1.871 -1.537 1.00 0.00 N ATOM 1378 CA CYS A 83 85.639 1.001 -2.605 1.00 0.00 C ATOM 1379 C CYS A 83 86.654 -0.091 -2.945 1.00 0.00 C ATOM 1380 O CYS A 83 86.306 -1.236 -3.152 1.00 0.00 O ATOM 1381 CB CYS A 83 85.354 1.837 -3.856 1.00 0.00 C ATOM 1382 SG CYS A 83 84.130 3.112 -3.467 1.00 0.00 S ATOM 0 H CYS A 83 86.342 2.849 -1.795 1.00 0.00 H new ATOM 0 HA CYS A 83 84.709 0.552 -2.256 1.00 0.00 H new ATOM 0 HB2 CYS A 83 86.274 2.299 -4.215 1.00 0.00 H new ATOM 0 HB3 CYS A 83 84.985 1.197 -4.657 1.00 0.00 H new ATOM 0 HG CYS A 83 84.658 3.992 -2.669 1.00 0.00 H new ATOM 1388 N ALA A 84 87.910 0.260 -3.000 1.00 0.00 N ATOM 1389 CA ALA A 84 88.955 -0.752 -3.319 1.00 0.00 C ATOM 1390 C ALA A 84 88.855 -1.912 -2.330 1.00 0.00 C ATOM 1391 O ALA A 84 89.255 -3.021 -2.618 1.00 0.00 O ATOM 1392 CB ALA A 84 90.338 -0.106 -3.212 1.00 0.00 C ATOM 0 H ALA A 84 88.257 1.205 -2.837 1.00 0.00 H new ATOM 0 HA ALA A 84 88.806 -1.125 -4.333 1.00 0.00 H new ATOM 0 HB1 ALA A 84 91.104 -0.846 -3.445 1.00 0.00 H new ATOM 0 HB2 ALA A 84 90.408 0.723 -3.916 1.00 0.00 H new ATOM 0 HB3 ALA A 84 90.489 0.265 -2.198 1.00 0.00 H new ATOM 1398 N MET A 85 88.322 -1.675 -1.166 1.00 0.00 N ATOM 1399 CA MET A 85 88.198 -2.777 -0.173 1.00 0.00 C ATOM 1400 C MET A 85 87.059 -3.701 -0.605 1.00 0.00 C ATOM 1401 O MET A 85 87.116 -4.903 -0.436 1.00 0.00 O ATOM 1402 CB MET A 85 87.898 -2.195 1.208 1.00 0.00 C ATOM 1403 CG MET A 85 89.173 -1.575 1.781 1.00 0.00 C ATOM 1404 SD MET A 85 89.498 0.002 0.953 1.00 0.00 S ATOM 1405 CE MET A 85 91.165 -0.380 0.364 1.00 0.00 C ATOM 0 H MET A 85 87.968 -0.769 -0.859 1.00 0.00 H new ATOM 0 HA MET A 85 89.131 -3.339 -0.123 1.00 0.00 H new ATOM 0 HB2 MET A 85 87.114 -1.441 1.136 1.00 0.00 H new ATOM 0 HB3 MET A 85 87.529 -2.976 1.873 1.00 0.00 H new ATOM 0 HG2 MET A 85 89.065 -1.419 2.854 1.00 0.00 H new ATOM 0 HG3 MET A 85 90.015 -2.253 1.641 1.00 0.00 H new ATOM 0 HE1 MET A 85 91.417 0.278 -0.468 1.00 0.00 H new ATOM 0 HE2 MET A 85 91.880 -0.231 1.173 1.00 0.00 H new ATOM 0 HE3 MET A 85 91.205 -1.417 0.031 1.00 0.00 H new ATOM 1415 N ASN A 86 86.026 -3.142 -1.170 1.00 0.00 N ATOM 1416 CA ASN A 86 84.880 -3.967 -1.631 1.00 0.00 C ATOM 1417 C ASN A 86 85.127 -4.383 -3.092 1.00 0.00 C ATOM 1418 O ASN A 86 84.268 -4.940 -3.747 1.00 0.00 O ATOM 1419 CB ASN A 86 83.595 -3.124 -1.488 1.00 0.00 C ATOM 1420 CG ASN A 86 82.612 -3.410 -2.626 1.00 0.00 C ATOM 1421 OD1 ASN A 86 82.854 -2.925 -3.811 1.00 0.00 O flip ATOM 1422 ND2 ASN A 86 81.616 -4.078 -2.433 1.00 0.00 N flip ATOM 0 H ASN A 86 85.928 -2.140 -1.333 1.00 0.00 H new ATOM 0 HA ASN A 86 84.772 -4.873 -1.035 1.00 0.00 H new ATOM 0 HB2 ASN A 86 83.120 -3.341 -0.531 1.00 0.00 H new ATOM 0 HB3 ASN A 86 83.851 -2.065 -1.484 1.00 0.00 H new ATOM 0 HD21 ASN A 86 81.428 -4.457 -1.505 1.00 0.00 H new ATOM 0 HD22 ASN A 86 80.968 -4.260 -3.199 1.00 0.00 H new ATOM 1429 N SER A 87 86.302 -4.123 -3.607 1.00 0.00 N ATOM 1430 CA SER A 87 86.592 -4.502 -5.017 1.00 0.00 C ATOM 1431 C SER A 87 87.428 -5.771 -5.047 1.00 0.00 C ATOM 1432 O SER A 87 87.526 -6.468 -4.062 1.00 0.00 O ATOM 1433 CB SER A 87 87.346 -3.365 -5.706 1.00 0.00 C ATOM 1434 OG SER A 87 86.914 -3.265 -7.057 1.00 0.00 O ATOM 0 H SER A 87 87.068 -3.666 -3.112 1.00 0.00 H new ATOM 0 HA SER A 87 85.655 -4.683 -5.543 1.00 0.00 H new ATOM 0 HB2 SER A 87 87.166 -2.425 -5.184 1.00 0.00 H new ATOM 0 HB3 SER A 87 88.420 -3.550 -5.668 1.00 0.00 H new ATOM 0 HG SER A 87 87.395 -2.535 -7.501 1.00 0.00 H new ATOM 1440 N LEU A 88 88.021 -6.064 -6.179 1.00 0.00 N ATOM 1441 CA LEU A 88 88.861 -7.295 -6.329 1.00 0.00 C ATOM 1442 C LEU A 88 88.325 -8.425 -5.435 1.00 0.00 C ATOM 1443 O LEU A 88 88.534 -8.426 -4.240 1.00 0.00 O ATOM 1444 CB LEU A 88 90.315 -6.995 -5.933 1.00 0.00 C ATOM 1445 CG LEU A 88 90.528 -5.492 -5.721 1.00 0.00 C ATOM 1446 CD1 LEU A 88 90.223 -5.129 -4.265 1.00 0.00 C ATOM 1447 CD2 LEU A 88 91.984 -5.140 -6.036 1.00 0.00 C ATOM 0 H LEU A 88 87.957 -5.492 -7.021 1.00 0.00 H new ATOM 0 HA LEU A 88 88.820 -7.608 -7.372 1.00 0.00 H new ATOM 0 HB2 LEU A 88 90.565 -7.534 -5.019 1.00 0.00 H new ATOM 0 HB3 LEU A 88 90.989 -7.355 -6.710 1.00 0.00 H new ATOM 0 HG LEU A 88 89.862 -4.934 -6.380 1.00 0.00 H new ATOM 0 HD11 LEU A 88 90.375 -4.060 -4.117 1.00 0.00 H new ATOM 0 HD12 LEU A 88 89.188 -5.383 -4.036 1.00 0.00 H new ATOM 0 HD13 LEU A 88 90.888 -5.685 -3.604 1.00 0.00 H new ATOM 0 HD21 LEU A 88 92.141 -4.072 -5.887 1.00 0.00 H new ATOM 0 HD22 LEU A 88 92.645 -5.700 -5.374 1.00 0.00 H new ATOM 0 HD23 LEU A 88 92.205 -5.398 -7.072 1.00 0.00 H new ATOM 1459 N PRO A 89 87.658 -9.376 -6.040 1.00 0.00 N ATOM 1460 CA PRO A 89 87.082 -10.522 -5.309 1.00 0.00 C ATOM 1461 C PRO A 89 88.170 -11.496 -4.836 1.00 0.00 C ATOM 1462 O PRO A 89 87.885 -12.611 -4.445 1.00 0.00 O ATOM 1463 CB PRO A 89 86.154 -11.176 -6.338 1.00 0.00 C ATOM 1464 CG PRO A 89 86.655 -10.721 -7.727 1.00 0.00 C ATOM 1465 CD PRO A 89 87.434 -9.412 -7.500 1.00 0.00 C ATOM 0 HA PRO A 89 86.560 -10.220 -4.401 1.00 0.00 H new ATOM 0 HB2 PRO A 89 86.182 -12.262 -6.251 1.00 0.00 H new ATOM 0 HB3 PRO A 89 85.120 -10.870 -6.179 1.00 0.00 H new ATOM 0 HG2 PRO A 89 87.294 -11.480 -8.177 1.00 0.00 H new ATOM 0 HG3 PRO A 89 85.819 -10.563 -8.409 1.00 0.00 H new ATOM 0 HD2 PRO A 89 88.376 -9.408 -8.048 1.00 0.00 H new ATOM 0 HD3 PRO A 89 86.865 -8.546 -7.838 1.00 0.00 H new ATOM 1473 N ASP A 90 89.410 -11.089 -4.853 1.00 0.00 N ATOM 1474 CA ASP A 90 90.497 -11.988 -4.390 1.00 0.00 C ATOM 1475 C ASP A 90 91.061 -11.460 -3.066 1.00 0.00 C ATOM 1476 O ASP A 90 91.964 -12.041 -2.493 1.00 0.00 O ATOM 1477 CB ASP A 90 91.605 -12.021 -5.442 1.00 0.00 C ATOM 1478 CG ASP A 90 91.064 -12.629 -6.738 1.00 0.00 C ATOM 1479 OD1 ASP A 90 90.470 -11.894 -7.510 1.00 0.00 O ATOM 1480 OD2 ASP A 90 91.253 -13.818 -6.938 1.00 0.00 O ATOM 0 H ASP A 90 89.715 -10.168 -5.169 1.00 0.00 H new ATOM 0 HA ASP A 90 90.106 -12.995 -4.242 1.00 0.00 H new ATOM 0 HB2 ASP A 90 91.974 -11.012 -5.628 1.00 0.00 H new ATOM 0 HB3 ASP A 90 92.449 -12.607 -5.078 1.00 0.00 H new ATOM 1485 N ILE A 91 90.536 -10.360 -2.575 1.00 0.00 N ATOM 1486 CA ILE A 91 91.041 -9.793 -1.289 1.00 0.00 C ATOM 1487 C ILE A 91 90.163 -10.300 -0.135 1.00 0.00 C ATOM 1488 O ILE A 91 88.963 -10.431 -0.271 1.00 0.00 O ATOM 1489 CB ILE A 91 91.029 -8.232 -1.336 1.00 0.00 C ATOM 1490 CG1 ILE A 91 90.027 -7.654 -0.313 1.00 0.00 C ATOM 1491 CG2 ILE A 91 90.655 -7.724 -2.734 1.00 0.00 C ATOM 1492 CD1 ILE A 91 89.694 -6.196 -0.652 1.00 0.00 C ATOM 0 H ILE A 91 89.780 -9.833 -3.012 1.00 0.00 H new ATOM 0 HA ILE A 91 92.070 -10.118 -1.132 1.00 0.00 H new ATOM 0 HB ILE A 91 92.036 -7.897 -1.087 1.00 0.00 H new ATOM 0 HG12 ILE A 91 89.115 -8.251 -0.312 1.00 0.00 H new ATOM 0 HG13 ILE A 91 90.448 -7.713 0.691 1.00 0.00 H new ATOM 0 HG21 ILE A 91 90.655 -6.634 -2.737 1.00 0.00 H new ATOM 0 HG22 ILE A 91 91.382 -8.089 -3.460 1.00 0.00 H new ATOM 0 HG23 ILE A 91 89.663 -8.088 -3.000 1.00 0.00 H new ATOM 0 HD11 ILE A 91 88.987 -5.805 0.079 1.00 0.00 H new ATOM 0 HD12 ILE A 91 90.606 -5.600 -0.629 1.00 0.00 H new ATOM 0 HD13 ILE A 91 89.252 -6.146 -1.647 1.00 0.00 H new ATOM 1504 N GLU A 92 90.744 -10.567 1.004 1.00 0.00 N ATOM 1505 CA GLU A 92 89.927 -11.041 2.156 1.00 0.00 C ATOM 1506 C GLU A 92 90.154 -10.122 3.352 1.00 0.00 C ATOM 1507 O GLU A 92 91.083 -10.291 4.116 1.00 0.00 O ATOM 1508 CB GLU A 92 90.322 -12.472 2.524 1.00 0.00 C ATOM 1509 CG GLU A 92 89.394 -13.458 1.813 1.00 0.00 C ATOM 1510 CD GLU A 92 88.358 -13.991 2.804 1.00 0.00 C ATOM 1511 OE1 GLU A 92 87.587 -13.194 3.310 1.00 0.00 O ATOM 1512 OE2 GLU A 92 88.354 -15.187 3.041 1.00 0.00 O ATOM 0 H GLU A 92 91.744 -10.478 1.185 1.00 0.00 H new ATOM 0 HA GLU A 92 88.873 -11.025 1.879 1.00 0.00 H new ATOM 0 HB2 GLU A 92 91.357 -12.660 2.238 1.00 0.00 H new ATOM 0 HB3 GLU A 92 90.260 -12.611 3.603 1.00 0.00 H new ATOM 0 HG2 GLU A 92 88.895 -12.966 0.978 1.00 0.00 H new ATOM 0 HG3 GLU A 92 89.973 -14.283 1.397 1.00 0.00 H new ATOM 1519 N GLU A 93 89.308 -9.145 3.519 1.00 0.00 N ATOM 1520 CA GLU A 93 89.473 -8.204 4.658 1.00 0.00 C ATOM 1521 C GLU A 93 89.326 -8.948 5.984 1.00 0.00 C ATOM 1522 O GLU A 93 88.446 -9.767 6.161 1.00 0.00 O ATOM 1523 CB GLU A 93 88.423 -7.097 4.564 1.00 0.00 C ATOM 1524 CG GLU A 93 87.054 -7.644 4.978 1.00 0.00 C ATOM 1525 CD GLU A 93 86.801 -7.321 6.452 1.00 0.00 C ATOM 1526 OE1 GLU A 93 86.597 -6.158 6.757 1.00 0.00 O ATOM 1527 OE2 GLU A 93 86.813 -8.244 7.251 1.00 0.00 O ATOM 0 H GLU A 93 88.508 -8.958 2.914 1.00 0.00 H new ATOM 0 HA GLU A 93 90.469 -7.763 4.613 1.00 0.00 H new ATOM 0 HB2 GLU A 93 88.702 -6.263 5.208 1.00 0.00 H new ATOM 0 HB3 GLU A 93 88.378 -6.711 3.545 1.00 0.00 H new ATOM 0 HG2 GLU A 93 86.272 -7.204 4.359 1.00 0.00 H new ATOM 0 HG3 GLU A 93 87.018 -8.722 4.819 1.00 0.00 H new ATOM 1534 N VAL A 94 90.192 -8.662 6.916 1.00 0.00 N ATOM 1535 CA VAL A 94 90.129 -9.334 8.239 1.00 0.00 C ATOM 1536 C VAL A 94 90.730 -8.405 9.297 1.00 0.00 C ATOM 1537 O VAL A 94 91.928 -8.371 9.495 1.00 0.00 O ATOM 1538 CB VAL A 94 90.932 -10.637 8.180 1.00 0.00 C ATOM 1539 CG1 VAL A 94 91.190 -11.152 9.598 1.00 0.00 C ATOM 1540 CG2 VAL A 94 90.142 -11.682 7.390 1.00 0.00 C ATOM 0 H VAL A 94 90.947 -7.984 6.814 1.00 0.00 H new ATOM 0 HA VAL A 94 89.094 -9.559 8.496 1.00 0.00 H new ATOM 0 HB VAL A 94 91.887 -10.452 7.689 1.00 0.00 H new ATOM 0 HG11 VAL A 94 91.761 -12.079 9.550 1.00 0.00 H new ATOM 0 HG12 VAL A 94 91.754 -10.407 10.159 1.00 0.00 H new ATOM 0 HG13 VAL A 94 90.239 -11.338 10.096 1.00 0.00 H new ATOM 0 HG21 VAL A 94 90.710 -12.611 7.346 1.00 0.00 H new ATOM 0 HG22 VAL A 94 89.187 -11.864 7.882 1.00 0.00 H new ATOM 0 HG23 VAL A 94 89.965 -11.316 6.378 1.00 0.00 H new ATOM 1550 N LYS A 95 89.910 -7.643 9.970 1.00 0.00 N ATOM 1551 CA LYS A 95 90.434 -6.705 11.010 1.00 0.00 C ATOM 1552 C LYS A 95 90.692 -7.439 12.332 1.00 0.00 C ATOM 1553 O LYS A 95 90.641 -6.853 13.394 1.00 0.00 O ATOM 1554 CB LYS A 95 89.408 -5.600 11.245 1.00 0.00 C ATOM 1555 CG LYS A 95 88.217 -6.184 12.006 1.00 0.00 C ATOM 1556 CD LYS A 95 87.070 -5.171 12.029 1.00 0.00 C ATOM 1557 CE LYS A 95 85.857 -5.790 12.726 1.00 0.00 C ATOM 1558 NZ LYS A 95 84.835 -4.733 12.974 1.00 0.00 N ATOM 0 H LYS A 95 88.898 -7.628 9.846 1.00 0.00 H new ATOM 0 HA LYS A 95 91.376 -6.284 10.657 1.00 0.00 H new ATOM 0 HB2 LYS A 95 89.856 -4.785 11.813 1.00 0.00 H new ATOM 0 HB3 LYS A 95 89.079 -5.182 10.293 1.00 0.00 H new ATOM 0 HG2 LYS A 95 87.888 -7.109 11.531 1.00 0.00 H new ATOM 0 HG3 LYS A 95 88.512 -6.436 13.024 1.00 0.00 H new ATOM 0 HD2 LYS A 95 87.380 -4.266 12.551 1.00 0.00 H new ATOM 0 HD3 LYS A 95 86.808 -4.878 11.012 1.00 0.00 H new ATOM 0 HE2 LYS A 95 85.434 -6.582 12.108 1.00 0.00 H new ATOM 0 HE3 LYS A 95 86.159 -6.247 13.668 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 84.010 -5.152 13.448 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 85.242 -3.992 13.579 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 84.539 -4.317 12.068 1.00 0.00 H new ATOM 1572 N ASP A 96 90.979 -8.704 12.269 1.00 0.00 N ATOM 1573 CA ASP A 96 91.257 -9.488 13.511 1.00 0.00 C ATOM 1574 C ASP A 96 90.284 -9.079 14.622 1.00 0.00 C ATOM 1575 O ASP A 96 90.498 -8.112 15.327 1.00 0.00 O ATOM 1576 CB ASP A 96 92.693 -9.228 13.971 1.00 0.00 C ATOM 1577 CG ASP A 96 93.665 -9.630 12.860 1.00 0.00 C ATOM 1578 OD1 ASP A 96 93.606 -9.025 11.802 1.00 0.00 O ATOM 1579 OD2 ASP A 96 94.451 -10.535 13.086 1.00 0.00 O ATOM 0 H ASP A 96 91.035 -9.240 11.403 1.00 0.00 H new ATOM 0 HA ASP A 96 91.127 -10.549 13.296 1.00 0.00 H new ATOM 0 HB2 ASP A 96 92.822 -8.174 14.218 1.00 0.00 H new ATOM 0 HB3 ASP A 96 92.904 -9.796 14.877 1.00 0.00 H new ATOM 1584 N ARG A 97 89.220 -9.813 14.786 1.00 0.00 N ATOM 1585 CA ARG A 97 88.234 -9.474 15.849 1.00 0.00 C ATOM 1586 C ARG A 97 88.963 -9.236 17.173 1.00 0.00 C ATOM 1587 O ARG A 97 88.858 -8.182 17.769 1.00 0.00 O ATOM 1588 CB ARG A 97 87.249 -10.631 16.013 1.00 0.00 C ATOM 1589 CG ARG A 97 85.928 -10.101 16.574 1.00 0.00 C ATOM 1590 CD ARG A 97 84.763 -10.729 15.809 1.00 0.00 C ATOM 1591 NE ARG A 97 84.107 -11.759 16.664 1.00 0.00 N ATOM 1592 CZ ARG A 97 83.253 -11.403 17.588 1.00 0.00 C ATOM 1593 NH1 ARG A 97 82.966 -10.142 17.770 1.00 0.00 N ATOM 1594 NH2 ARG A 97 82.688 -12.312 18.334 1.00 0.00 N ATOM 0 H ARG A 97 88.990 -10.635 14.228 1.00 0.00 H new ATOM 0 HA ARG A 97 87.695 -8.570 15.567 1.00 0.00 H new ATOM 0 HB2 ARG A 97 87.079 -11.117 15.052 1.00 0.00 H new ATOM 0 HB3 ARG A 97 87.665 -11.384 16.682 1.00 0.00 H new ATOM 0 HG2 ARG A 97 85.850 -10.337 17.635 1.00 0.00 H new ATOM 0 HG3 ARG A 97 85.892 -9.015 16.486 1.00 0.00 H new ATOM 0 HD2 ARG A 97 84.042 -9.961 15.528 1.00 0.00 H new ATOM 0 HD3 ARG A 97 85.122 -11.182 14.885 1.00 0.00 H new ATOM 0 HE ARG A 97 84.325 -12.746 16.528 1.00 0.00 H new ATOM 0 HH11 ARG A 97 83.409 -9.429 17.190 1.00 0.00 H new ATOM 0 HH12 ARG A 97 82.299 -9.870 18.492 1.00 0.00 H new ATOM 0 HH21 ARG A 97 82.913 -13.297 18.196 1.00 0.00 H new ATOM 0 HH22 ARG A 97 82.021 -12.037 19.056 1.00 0.00 H new ATOM 1608 N SER A 98 89.695 -10.209 17.645 1.00 0.00 N ATOM 1609 CA SER A 98 90.419 -10.033 18.937 1.00 0.00 C ATOM 1610 C SER A 98 91.659 -10.924 18.968 1.00 0.00 C ATOM 1611 O SER A 98 91.845 -11.704 19.882 1.00 0.00 O ATOM 1612 CB SER A 98 89.500 -10.429 20.090 1.00 0.00 C ATOM 1613 OG SER A 98 88.316 -9.643 20.043 1.00 0.00 O ATOM 0 H SER A 98 89.823 -11.115 17.194 1.00 0.00 H new ATOM 0 HA SER A 98 90.718 -8.990 19.036 1.00 0.00 H new ATOM 0 HB2 SER A 98 89.250 -11.488 20.023 1.00 0.00 H new ATOM 0 HB3 SER A 98 90.009 -10.282 21.042 1.00 0.00 H new ATOM 0 HG SER A 98 87.725 -9.898 20.782 1.00 0.00 H new ATOM 1619 N ILE A 99 92.511 -10.824 17.989 1.00 0.00 N ATOM 1620 CA ILE A 99 93.727 -11.676 17.987 1.00 0.00 C ATOM 1621 C ILE A 99 94.952 -10.831 17.628 1.00 0.00 C ATOM 1622 O ILE A 99 95.768 -10.516 18.471 1.00 0.00 O ATOM 1623 CB ILE A 99 93.552 -12.796 16.967 1.00 0.00 C ATOM 1624 CG1 ILE A 99 92.169 -13.431 17.137 1.00 0.00 C ATOM 1625 CG2 ILE A 99 94.627 -13.856 17.198 1.00 0.00 C ATOM 1626 CD1 ILE A 99 91.277 -13.043 15.956 1.00 0.00 C ATOM 0 H ILE A 99 92.418 -10.192 17.194 1.00 0.00 H new ATOM 0 HA ILE A 99 93.874 -12.106 18.978 1.00 0.00 H new ATOM 0 HB ILE A 99 93.644 -12.391 15.959 1.00 0.00 H new ATOM 0 HG12 ILE A 99 92.260 -14.516 17.196 1.00 0.00 H new ATOM 0 HG13 ILE A 99 91.717 -13.098 18.072 1.00 0.00 H new ATOM 0 HG21 ILE A 99 94.507 -14.660 16.472 1.00 0.00 H new ATOM 0 HG22 ILE A 99 95.613 -13.406 17.082 1.00 0.00 H new ATOM 0 HG23 ILE A 99 94.529 -14.260 18.206 1.00 0.00 H new ATOM 0 HD11 ILE A 99 90.293 -13.496 16.079 1.00 0.00 H new ATOM 0 HD12 ILE A 99 91.175 -11.958 15.918 1.00 0.00 H new ATOM 0 HD13 ILE A 99 91.726 -13.398 15.029 1.00 0.00 H new ATOM 1638 N LYS A 100 95.089 -10.455 16.385 1.00 0.00 N ATOM 1639 CA LYS A 100 96.260 -9.626 15.985 1.00 0.00 C ATOM 1640 C LYS A 100 95.930 -8.156 16.230 1.00 0.00 C ATOM 1641 O LYS A 100 95.592 -7.424 15.322 1.00 0.00 O ATOM 1642 CB LYS A 100 96.568 -9.844 14.501 1.00 0.00 C ATOM 1643 CG LYS A 100 98.078 -9.755 14.277 1.00 0.00 C ATOM 1644 CD LYS A 100 98.749 -11.032 14.787 1.00 0.00 C ATOM 1645 CE LYS A 100 99.789 -11.502 13.768 1.00 0.00 C ATOM 1646 NZ LYS A 100 99.274 -12.704 13.054 1.00 0.00 N ATOM 0 H LYS A 100 94.442 -10.686 15.631 1.00 0.00 H new ATOM 0 HA LYS A 100 97.132 -9.913 16.573 1.00 0.00 H new ATOM 0 HB2 LYS A 100 96.199 -10.818 14.181 1.00 0.00 H new ATOM 0 HB3 LYS A 100 96.055 -9.095 13.898 1.00 0.00 H new ATOM 0 HG2 LYS A 100 98.291 -9.619 13.217 1.00 0.00 H new ATOM 0 HG3 LYS A 100 98.482 -8.887 14.797 1.00 0.00 H new ATOM 0 HD2 LYS A 100 99.225 -10.846 15.750 1.00 0.00 H new ATOM 0 HD3 LYS A 100 98.002 -11.810 14.946 1.00 0.00 H new ATOM 0 HE2 LYS A 100 100.002 -10.705 13.055 1.00 0.00 H new ATOM 0 HE3 LYS A 100 100.727 -11.738 14.271 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 99.980 -13.025 12.361 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 99.092 -13.464 13.740 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 98.390 -12.463 12.562 1.00 0.00 H new ATOM 1660 N LYS A 101 96.012 -7.723 17.457 1.00 0.00 N ATOM 1661 CA LYS A 101 95.686 -6.303 17.769 1.00 0.00 C ATOM 1662 C LYS A 101 96.239 -5.939 19.148 1.00 0.00 C ATOM 1663 O LYS A 101 95.500 -5.645 20.065 1.00 0.00 O ATOM 1664 CB LYS A 101 94.163 -6.107 17.761 1.00 0.00 C ATOM 1665 CG LYS A 101 93.456 -7.457 17.927 1.00 0.00 C ATOM 1666 CD LYS A 101 93.801 -8.056 19.293 1.00 0.00 C ATOM 1667 CE LYS A 101 93.304 -7.126 20.401 1.00 0.00 C ATOM 1668 NZ LYS A 101 92.233 -7.808 21.179 1.00 0.00 N ATOM 0 H LYS A 101 96.291 -8.291 18.257 1.00 0.00 H new ATOM 0 HA LYS A 101 96.138 -5.658 17.015 1.00 0.00 H new ATOM 0 HB2 LYS A 101 93.871 -5.434 18.567 1.00 0.00 H new ATOM 0 HB3 LYS A 101 93.854 -5.639 16.827 1.00 0.00 H new ATOM 0 HG2 LYS A 101 92.377 -7.327 17.838 1.00 0.00 H new ATOM 0 HG3 LYS A 101 93.761 -8.138 17.133 1.00 0.00 H new ATOM 0 HD2 LYS A 101 93.342 -9.039 19.397 1.00 0.00 H new ATOM 0 HD3 LYS A 101 94.879 -8.196 19.378 1.00 0.00 H new ATOM 0 HE2 LYS A 101 94.129 -6.854 21.059 1.00 0.00 H new ATOM 0 HE3 LYS A 101 92.922 -6.201 19.970 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 92.143 -7.359 22.113 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 91.330 -7.730 20.669 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 92.477 -8.812 21.299 1.00 0.00 H new ATOM 1682 N GLY A 102 97.535 -5.958 19.302 1.00 0.00 N ATOM 1683 CA GLY A 102 98.133 -5.616 20.623 1.00 0.00 C ATOM 1684 C GLY A 102 98.037 -4.108 20.862 1.00 0.00 C ATOM 1685 O GLY A 102 97.495 -3.661 21.852 1.00 0.00 O ATOM 0 H GLY A 102 98.205 -6.195 18.570 1.00 0.00 H new ATOM 0 HA2 GLY A 102 97.614 -6.153 21.417 1.00 0.00 H new ATOM 0 HA3 GLY A 102 99.176 -5.932 20.653 1.00 0.00 H new ATOM 1689 N ASN A 103 98.565 -3.320 19.967 1.00 0.00 N ATOM 1690 CA ASN A 103 98.506 -1.843 20.152 1.00 0.00 C ATOM 1691 C ASN A 103 98.392 -1.160 18.789 1.00 0.00 C ATOM 1692 O ASN A 103 98.794 -0.027 18.616 1.00 0.00 O ATOM 1693 CB ASN A 103 99.782 -1.369 20.854 1.00 0.00 C ATOM 1694 CG ASN A 103 99.488 -1.114 22.333 1.00 0.00 C ATOM 1695 OD1 ASN A 103 98.868 -0.128 22.680 1.00 0.00 O ATOM 1696 ND2 ASN A 103 99.913 -1.966 23.227 1.00 0.00 N ATOM 0 H ASN A 103 99.034 -3.634 19.117 1.00 0.00 H new ATOM 0 HA ASN A 103 97.637 -1.587 20.759 1.00 0.00 H new ATOM 0 HB2 ASN A 103 100.566 -2.120 20.753 1.00 0.00 H new ATOM 0 HB3 ASN A 103 100.151 -0.458 20.384 1.00 0.00 H new ATOM 0 HD21 ASN A 103 99.725 -1.804 24.216 1.00 0.00 H new ATOM 0 HD22 ASN A 103 100.433 -2.794 22.936 1.00 0.00 H new ATOM 1703 N ASN A 104 97.848 -1.840 17.816 1.00 0.00 N ATOM 1704 CA ASN A 104 97.713 -1.226 16.466 1.00 0.00 C ATOM 1705 C ASN A 104 96.289 -1.439 15.942 1.00 0.00 C ATOM 1706 O ASN A 104 95.499 -0.519 15.880 1.00 0.00 O ATOM 1707 CB ASN A 104 98.716 -1.873 15.508 1.00 0.00 C ATOM 1708 CG ASN A 104 100.093 -1.934 16.175 1.00 0.00 C ATOM 1709 OD1 ASN A 104 100.849 -0.984 16.121 1.00 0.00 O ATOM 1710 ND2 ASN A 104 100.454 -3.019 16.804 1.00 0.00 N ATOM 0 H ASN A 104 97.492 -2.792 17.898 1.00 0.00 H new ATOM 0 HA ASN A 104 97.914 -0.157 16.533 1.00 0.00 H new ATOM 0 HB2 ASN A 104 98.385 -2.877 15.241 1.00 0.00 H new ATOM 0 HB3 ASN A 104 98.773 -1.300 14.583 1.00 0.00 H new ATOM 0 HD21 ASN A 104 101.370 -3.069 17.250 1.00 0.00 H new ATOM 0 HD22 ASN A 104 99.820 -3.817 16.850 1.00 0.00 H new ATOM 1717 N ALA A 105 95.956 -2.645 15.563 1.00 0.00 N ATOM 1718 CA ALA A 105 94.584 -2.911 15.041 1.00 0.00 C ATOM 1719 C ALA A 105 94.486 -2.404 13.603 1.00 0.00 C ATOM 1720 O ALA A 105 94.404 -1.218 13.355 1.00 0.00 O ATOM 1721 CB ALA A 105 93.554 -2.190 15.914 1.00 0.00 C ATOM 0 H ALA A 105 96.574 -3.456 15.592 1.00 0.00 H new ATOM 0 HA ALA A 105 94.385 -3.982 15.064 1.00 0.00 H new ATOM 0 HB1 ALA A 105 92.552 -2.385 15.531 1.00 0.00 H new ATOM 0 HB2 ALA A 105 93.628 -2.553 16.939 1.00 0.00 H new ATOM 0 HB3 ALA A 105 93.747 -1.117 15.894 1.00 0.00 H new ATOM 1727 N PHE A 106 94.499 -3.296 12.649 1.00 0.00 N ATOM 1728 CA PHE A 106 94.413 -2.866 11.223 1.00 0.00 C ATOM 1729 C PHE A 106 93.408 -3.737 10.468 1.00 0.00 C ATOM 1730 O PHE A 106 92.785 -4.623 11.019 1.00 0.00 O ATOM 1731 CB PHE A 106 95.771 -3.028 10.527 1.00 0.00 C ATOM 1732 CG PHE A 106 96.848 -3.395 11.511 1.00 0.00 C ATOM 1733 CD1 PHE A 106 96.799 -4.619 12.180 1.00 0.00 C ATOM 1734 CD2 PHE A 106 97.906 -2.510 11.736 1.00 0.00 C ATOM 1735 CE1 PHE A 106 97.811 -4.959 13.081 1.00 0.00 C ATOM 1736 CE2 PHE A 106 98.919 -2.847 12.633 1.00 0.00 C ATOM 1737 CZ PHE A 106 98.874 -4.074 13.310 1.00 0.00 C ATOM 0 H PHE A 106 94.565 -4.303 12.795 1.00 0.00 H new ATOM 0 HA PHE A 106 94.103 -1.821 11.214 1.00 0.00 H new ATOM 0 HB2 PHE A 106 95.699 -3.798 9.759 1.00 0.00 H new ATOM 0 HB3 PHE A 106 96.037 -2.099 10.023 1.00 0.00 H new ATOM 0 HD1 PHE A 106 95.981 -5.301 12.002 1.00 0.00 H new ATOM 0 HD2 PHE A 106 97.939 -1.565 11.215 1.00 0.00 H new ATOM 0 HE1 PHE A 106 97.774 -5.905 13.602 1.00 0.00 H new ATOM 0 HE2 PHE A 106 99.737 -2.164 12.806 1.00 0.00 H new ATOM 0 HZ PHE A 106 99.657 -4.337 14.006 1.00 0.00 H new ATOM 1747 N ARG A 107 93.299 -3.510 9.192 1.00 0.00 N ATOM 1748 CA ARG A 107 92.403 -4.323 8.335 1.00 0.00 C ATOM 1749 C ARG A 107 93.312 -5.248 7.533 1.00 0.00 C ATOM 1750 O ARG A 107 93.933 -4.850 6.561 1.00 0.00 O ATOM 1751 CB ARG A 107 91.600 -3.412 7.401 1.00 0.00 C ATOM 1752 CG ARG A 107 90.113 -3.749 7.502 1.00 0.00 C ATOM 1753 CD ARG A 107 89.489 -2.963 8.656 1.00 0.00 C ATOM 1754 NE ARG A 107 89.118 -1.599 8.184 1.00 0.00 N ATOM 1755 CZ ARG A 107 88.588 -0.738 9.012 1.00 0.00 C ATOM 1756 NH1 ARG A 107 88.381 -1.068 10.260 1.00 0.00 N ATOM 1757 NH2 ARG A 107 88.265 0.454 8.591 1.00 0.00 N ATOM 0 H ARG A 107 93.807 -2.777 8.697 1.00 0.00 H new ATOM 0 HA ARG A 107 91.686 -4.892 8.926 1.00 0.00 H new ATOM 0 HB2 ARG A 107 91.764 -2.368 7.667 1.00 0.00 H new ATOM 0 HB3 ARG A 107 91.942 -3.537 6.374 1.00 0.00 H new ATOM 0 HG2 ARG A 107 89.609 -3.504 6.567 1.00 0.00 H new ATOM 0 HG3 ARG A 107 89.982 -4.819 7.664 1.00 0.00 H new ATOM 0 HD2 ARG A 107 88.607 -3.483 9.029 1.00 0.00 H new ATOM 0 HD3 ARG A 107 90.193 -2.894 9.485 1.00 0.00 H new ATOM 0 HE ARG A 107 89.278 -1.337 7.211 1.00 0.00 H new ATOM 0 HH11 ARG A 107 88.633 -2.000 10.590 1.00 0.00 H new ATOM 0 HH12 ARG A 107 87.967 -0.394 10.904 1.00 0.00 H new ATOM 0 HH21 ARG A 107 88.426 0.712 7.617 1.00 0.00 H new ATOM 0 HH22 ARG A 107 87.851 1.128 9.235 1.00 0.00 H new ATOM 1771 N VAL A 108 93.438 -6.463 7.977 1.00 0.00 N ATOM 1772 CA VAL A 108 94.343 -7.424 7.299 1.00 0.00 C ATOM 1773 C VAL A 108 93.645 -8.050 6.094 1.00 0.00 C ATOM 1774 O VAL A 108 92.724 -8.828 6.229 1.00 0.00 O ATOM 1775 CB VAL A 108 94.732 -8.502 8.306 1.00 0.00 C ATOM 1776 CG1 VAL A 108 95.959 -9.255 7.808 1.00 0.00 C ATOM 1777 CG2 VAL A 108 95.063 -7.832 9.640 1.00 0.00 C ATOM 0 H VAL A 108 92.947 -6.835 8.790 1.00 0.00 H new ATOM 0 HA VAL A 108 95.234 -6.909 6.939 1.00 0.00 H new ATOM 0 HB VAL A 108 93.906 -9.202 8.429 1.00 0.00 H new ATOM 0 HG11 VAL A 108 96.232 -10.024 8.531 1.00 0.00 H new ATOM 0 HG12 VAL A 108 95.735 -9.722 6.849 1.00 0.00 H new ATOM 0 HG13 VAL A 108 96.789 -8.559 7.687 1.00 0.00 H new ATOM 0 HG21 VAL A 108 95.343 -8.592 10.369 1.00 0.00 H new ATOM 0 HG22 VAL A 108 95.892 -7.138 9.503 1.00 0.00 H new ATOM 0 HG23 VAL A 108 94.190 -7.288 10.000 1.00 0.00 H new ATOM 1787 N TYR A 109 94.080 -7.709 4.914 1.00 0.00 N ATOM 1788 CA TYR A 109 93.447 -8.274 3.693 1.00 0.00 C ATOM 1789 C TYR A 109 94.253 -9.476 3.198 1.00 0.00 C ATOM 1790 O TYR A 109 95.470 -9.471 3.206 1.00 0.00 O ATOM 1791 CB TYR A 109 93.408 -7.204 2.601 1.00 0.00 C ATOM 1792 CG TYR A 109 92.207 -6.316 2.811 1.00 0.00 C ATOM 1793 CD1 TYR A 109 91.797 -5.990 4.108 1.00 0.00 C ATOM 1794 CD2 TYR A 109 91.503 -5.821 1.710 1.00 0.00 C ATOM 1795 CE1 TYR A 109 90.681 -5.169 4.305 1.00 0.00 C ATOM 1796 CE2 TYR A 109 90.387 -4.998 1.905 1.00 0.00 C ATOM 1797 CZ TYR A 109 89.976 -4.673 3.202 1.00 0.00 C ATOM 1798 OH TYR A 109 88.875 -3.863 3.394 1.00 0.00 O ATOM 0 H TYR A 109 94.849 -7.061 4.743 1.00 0.00 H new ATOM 0 HA TYR A 109 92.433 -8.595 3.930 1.00 0.00 H new ATOM 0 HB2 TYR A 109 94.322 -6.610 2.626 1.00 0.00 H new ATOM 0 HB3 TYR A 109 93.359 -7.673 1.618 1.00 0.00 H new ATOM 0 HD1 TYR A 109 92.342 -6.372 4.958 1.00 0.00 H new ATOM 0 HD2 TYR A 109 91.820 -6.073 0.709 1.00 0.00 H new ATOM 0 HE1 TYR A 109 90.364 -4.918 5.307 1.00 0.00 H new ATOM 0 HE2 TYR A 109 89.844 -4.614 1.054 1.00 0.00 H new ATOM 0 HH TYR A 109 88.983 -3.356 4.225 1.00 0.00 H new ATOM 1808 N ARG A 110 93.580 -10.504 2.762 1.00 0.00 N ATOM 1809 CA ARG A 110 94.290 -11.709 2.258 1.00 0.00 C ATOM 1810 C ARG A 110 94.034 -11.845 0.757 1.00 0.00 C ATOM 1811 O ARG A 110 92.907 -11.969 0.320 1.00 0.00 O ATOM 1812 CB ARG A 110 93.759 -12.951 2.979 1.00 0.00 C ATOM 1813 CG ARG A 110 94.841 -13.517 3.899 1.00 0.00 C ATOM 1814 CD ARG A 110 94.567 -15.001 4.153 1.00 0.00 C ATOM 1815 NE ARG A 110 93.552 -15.142 5.236 1.00 0.00 N ATOM 1816 CZ ARG A 110 93.906 -15.027 6.488 1.00 0.00 C ATOM 1817 NH1 ARG A 110 95.152 -14.786 6.800 1.00 0.00 N ATOM 1818 NH2 ARG A 110 93.012 -15.153 7.431 1.00 0.00 N ATOM 0 H ARG A 110 92.562 -10.560 2.734 1.00 0.00 H new ATOM 0 HA ARG A 110 95.360 -11.612 2.443 1.00 0.00 H new ATOM 0 HB2 ARG A 110 92.873 -12.695 3.559 1.00 0.00 H new ATOM 0 HB3 ARG A 110 93.457 -13.704 2.251 1.00 0.00 H new ATOM 0 HG2 ARG A 110 95.823 -13.390 3.444 1.00 0.00 H new ATOM 0 HG3 ARG A 110 94.853 -12.971 4.843 1.00 0.00 H new ATOM 0 HD2 ARG A 110 94.209 -15.477 3.240 1.00 0.00 H new ATOM 0 HD3 ARG A 110 95.489 -15.509 4.436 1.00 0.00 H new ATOM 0 HE ARG A 110 92.578 -15.329 4.998 1.00 0.00 H new ATOM 0 HH11 ARG A 110 95.852 -14.687 6.065 1.00 0.00 H new ATOM 0 HH12 ARG A 110 95.425 -14.697 7.779 1.00 0.00 H new ATOM 0 HH21 ARG A 110 92.039 -15.341 7.189 1.00 0.00 H new ATOM 0 HH22 ARG A 110 93.287 -15.064 8.409 1.00 0.00 H new ATOM 1832 N MET A 111 95.068 -11.821 -0.035 1.00 0.00 N ATOM 1833 CA MET A 111 94.882 -11.948 -1.508 1.00 0.00 C ATOM 1834 C MET A 111 95.107 -13.403 -1.926 1.00 0.00 C ATOM 1835 O MET A 111 96.073 -14.027 -1.533 1.00 0.00 O ATOM 1836 CB MET A 111 95.886 -11.044 -2.227 1.00 0.00 C ATOM 1837 CG MET A 111 95.599 -9.583 -1.879 1.00 0.00 C ATOM 1838 SD MET A 111 95.981 -8.536 -3.304 1.00 0.00 S ATOM 1839 CE MET A 111 97.233 -7.507 -2.502 1.00 0.00 C ATOM 0 H MET A 111 96.035 -11.719 0.273 1.00 0.00 H new ATOM 0 HA MET A 111 93.869 -11.648 -1.776 1.00 0.00 H new ATOM 0 HB2 MET A 111 96.902 -11.306 -1.933 1.00 0.00 H new ATOM 0 HB3 MET A 111 95.818 -11.192 -3.305 1.00 0.00 H new ATOM 0 HG2 MET A 111 94.553 -9.464 -1.597 1.00 0.00 H new ATOM 0 HG3 MET A 111 96.197 -9.279 -1.020 1.00 0.00 H new ATOM 0 HE1 MET A 111 98.027 -7.279 -3.213 1.00 0.00 H new ATOM 0 HE2 MET A 111 96.776 -6.579 -2.159 1.00 0.00 H new ATOM 0 HE3 MET A 111 97.652 -8.042 -1.650 1.00 0.00 H new ATOM 1849 N LEU A 112 94.223 -13.952 -2.714 1.00 0.00 N ATOM 1850 CA LEU A 112 94.396 -15.375 -3.146 1.00 0.00 C ATOM 1851 C LEU A 112 95.555 -15.488 -4.147 1.00 0.00 C ATOM 1852 O LEU A 112 96.420 -16.329 -3.992 1.00 0.00 O ATOM 1853 CB LEU A 112 93.112 -15.907 -3.803 1.00 0.00 C ATOM 1854 CG LEU A 112 91.897 -15.114 -3.318 1.00 0.00 C ATOM 1855 CD1 LEU A 112 90.615 -15.831 -3.747 1.00 0.00 C ATOM 1856 CD2 LEU A 112 91.933 -15.011 -1.792 1.00 0.00 C ATOM 0 H LEU A 112 93.393 -13.483 -3.077 1.00 0.00 H new ATOM 0 HA LEU A 112 94.616 -15.970 -2.260 1.00 0.00 H new ATOM 0 HB2 LEU A 112 93.193 -15.833 -4.887 1.00 0.00 H new ATOM 0 HB3 LEU A 112 92.984 -16.963 -3.564 1.00 0.00 H new ATOM 0 HG LEU A 112 91.919 -14.115 -3.753 1.00 0.00 H new ATOM 0 HD11 LEU A 112 89.749 -15.266 -3.401 1.00 0.00 H new ATOM 0 HD12 LEU A 112 90.588 -15.908 -4.834 1.00 0.00 H new ATOM 0 HD13 LEU A 112 90.594 -16.830 -3.312 1.00 0.00 H new ATOM 0 HD21 LEU A 112 91.068 -14.446 -1.445 1.00 0.00 H new ATOM 0 HD22 LEU A 112 91.911 -16.011 -1.359 1.00 0.00 H new ATOM 0 HD23 LEU A 112 92.846 -14.502 -1.483 1.00 0.00 H new ATOM 1868 N PRO A 113 95.537 -14.646 -5.151 1.00 0.00 N ATOM 1869 CA PRO A 113 96.571 -14.640 -6.198 1.00 0.00 C ATOM 1870 C PRO A 113 97.830 -13.926 -5.703 1.00 0.00 C ATOM 1871 O PRO A 113 97.742 -13.241 -4.698 1.00 0.00 O ATOM 1872 CB PRO A 113 95.919 -13.870 -7.344 1.00 0.00 C ATOM 1873 CG PRO A 113 94.808 -13.009 -6.711 1.00 0.00 C ATOM 1874 CD PRO A 113 94.489 -13.626 -5.337 1.00 0.00 C ATOM 1875 OXT PRO A 113 98.861 -14.079 -6.338 1.00 0.00 O ATOM 0 HA PRO A 113 96.888 -15.640 -6.492 1.00 0.00 H new ATOM 0 HB2 PRO A 113 96.650 -13.245 -7.858 1.00 0.00 H new ATOM 0 HB3 PRO A 113 95.506 -14.553 -8.086 1.00 0.00 H new ATOM 0 HG2 PRO A 113 95.136 -11.975 -6.603 1.00 0.00 H new ATOM 0 HG3 PRO A 113 93.921 -12.998 -7.344 1.00 0.00 H new ATOM 0 HD2 PRO A 113 94.517 -12.876 -4.547 1.00 0.00 H new ATOM 0 HD3 PRO A 113 93.493 -14.069 -5.320 1.00 0.00 H new TER 1883 PRO A 113