USER MOD reduce.3.24.130724 H: found=0, std=0, add=951, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 949 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 Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 47:sc= 0.486 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 ASN : amide:sc= -2.47 K(o=-2.5,f=-17!) USER MOD Single : A 13 ASN : amide:sc= -0.0375 X(o=-0.038,f=0) USER MOD Single : A 19 ASN : amide:sc= 0 K(o=0,f=-0.79) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 GLN : amide:sc= -7.2! C(o=-7.2!,f=-10!) USER MOD Single : A 25 THR OG1 : rot -40:sc= 0.315 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 GLN : amide:sc= -0.552 X(o=-0.55,f=-0.46) USER MOD Single : A 54 HIS : no HD1:sc= -0.176 X(o=-0.18,f=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 GLN : amide:sc= -4.59! C(o=-4.6!,f=-5!) USER MOD Single : A 71 TYR OH : rot 132:sc= 0.0412 USER MOD Single : A 72 ASN : amide:sc= -1.69 K(o=-1.7,f=-0.18) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 SER OG : rot 71:sc= 0.452 USER MOD Single : A 80 SER OG : rot 13:sc= 1.28 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 THR OG1 : rot -23:sc= -0.661 USER MOD Single : A 92 HIS : no HE2:sc= -2.45! K(o=-2.4!,f=-0.99) USER MOD Single : A 95 LYS NZ :NH3+ -153:sc= 0.261 (180deg=-0.428) USER MOD Single : A 97 ASN : amide:sc= -0.111 K(o=-0.11,f=-1.3!) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 MET CE :methyl -171:sc= 0 (180deg=-0.0919) USER MOD Single : A 103 ASN : amide:sc= -2.23 K(o=-2.2,f=-9.5!) USER MOD Single : A 107 THR OG1 : rot 180:sc= 0 USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD Single : A 113 ASN : amide:sc= -0.272 K(o=-0.27,f=-1.3!) USER MOD Single : A 114 THR OG1 : rot 180:sc= 0 USER MOD Single : A 115 LYS NZ :NH3+ 147:sc= 1.28 (180deg=-0.159) USER MOD Single : A 116 SER OG : rot 180:sc= 0 USER MOD Single : A 119 SER OG : rot 180:sc= 0 USER MOD Single : A 120 SER OG : rot 180:sc= -0.107 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 1.701 -25.125 10.245 1.00 0.00 N ATOM 2 CA GLY A 1 2.599 -26.039 9.565 1.00 0.00 C ATOM 3 C GLY A 1 2.714 -25.744 8.083 1.00 0.00 C ATOM 4 O GLY A 1 3.808 -25.495 7.576 1.00 0.00 O ATOM 0 H1 GLY A 1 1.657 -25.369 11.255 1.00 0.00 H new ATOM 0 H2 GLY A 1 2.051 -24.151 10.139 1.00 0.00 H new ATOM 0 H3 GLY A 1 0.751 -25.199 9.829 1.00 0.00 H new ATOM 0 HA2 GLY A 1 3.587 -25.980 10.022 1.00 0.00 H new ATOM 0 HA3 GLY A 1 2.245 -27.061 9.702 1.00 0.00 H new ATOM 8 N SER A 2 1.583 -25.773 7.386 1.00 0.00 N ATOM 9 CA SER A 2 1.562 -25.512 5.951 1.00 0.00 C ATOM 10 C SER A 2 1.268 -24.041 5.671 1.00 0.00 C ATOM 11 O SER A 2 1.032 -23.258 6.591 1.00 0.00 O ATOM 12 CB SER A 2 0.515 -26.393 5.266 1.00 0.00 C ATOM 13 OG SER A 2 0.856 -27.764 5.371 1.00 0.00 O ATOM 0 H SER A 2 0.669 -25.975 7.791 1.00 0.00 H new ATOM 0 HA SER A 2 2.546 -25.751 5.549 1.00 0.00 H new ATOM 0 HB2 SER A 2 -0.462 -26.222 5.719 1.00 0.00 H new ATOM 0 HB3 SER A 2 0.432 -26.115 4.215 1.00 0.00 H new ATOM 0 HG SER A 2 0.171 -28.306 4.927 1.00 0.00 H new ATOM 19 N SER A 3 1.285 -23.674 4.394 1.00 0.00 N ATOM 20 CA SER A 3 1.024 -22.297 3.991 1.00 0.00 C ATOM 21 C SER A 3 -0.369 -22.164 3.383 1.00 0.00 C ATOM 22 O SER A 3 -0.740 -22.913 2.481 1.00 0.00 O ATOM 23 CB SER A 3 2.078 -21.829 2.986 1.00 0.00 C ATOM 24 OG SER A 3 3.347 -21.698 3.602 1.00 0.00 O ATOM 0 H SER A 3 1.477 -24.311 3.621 1.00 0.00 H new ATOM 0 HA SER A 3 1.075 -21.668 4.880 1.00 0.00 H new ATOM 0 HB2 SER A 3 2.142 -22.541 2.163 1.00 0.00 H new ATOM 0 HB3 SER A 3 1.778 -20.873 2.558 1.00 0.00 H new ATOM 0 HG SER A 3 4.003 -21.399 2.938 1.00 0.00 H new ATOM 30 N GLY A 4 -1.138 -21.202 3.885 1.00 0.00 N ATOM 31 CA GLY A 4 -2.481 -20.987 3.381 1.00 0.00 C ATOM 32 C GLY A 4 -2.773 -19.523 3.115 1.00 0.00 C ATOM 33 O GLY A 4 -2.491 -19.015 2.030 1.00 0.00 O ATOM 0 H GLY A 4 -0.854 -20.568 4.632 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -2.615 -21.554 2.460 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -3.202 -21.373 4.101 1.00 0.00 H new ATOM 37 N SER A 5 -3.341 -18.844 4.106 1.00 0.00 N ATOM 38 CA SER A 5 -3.677 -17.432 3.972 1.00 0.00 C ATOM 39 C SER A 5 -2.793 -16.575 4.873 1.00 0.00 C ATOM 40 O SER A 5 -3.040 -16.460 6.074 1.00 0.00 O ATOM 41 CB SER A 5 -5.150 -17.201 4.314 1.00 0.00 C ATOM 42 OG SER A 5 -5.468 -17.736 5.587 1.00 0.00 O ATOM 0 H SER A 5 -3.578 -19.249 5.011 1.00 0.00 H new ATOM 0 HA SER A 5 -3.502 -17.139 2.937 1.00 0.00 H new ATOM 0 HB2 SER A 5 -5.366 -16.133 4.301 1.00 0.00 H new ATOM 0 HB3 SER A 5 -5.780 -17.663 3.554 1.00 0.00 H new ATOM 0 HG SER A 5 -4.786 -17.463 6.236 1.00 0.00 H new ATOM 48 N SER A 6 -1.762 -15.977 4.285 1.00 0.00 N ATOM 49 CA SER A 6 -0.838 -15.133 5.035 1.00 0.00 C ATOM 50 C SER A 6 -1.546 -13.890 5.565 1.00 0.00 C ATOM 51 O SER A 6 -1.310 -13.461 6.694 1.00 0.00 O ATOM 52 CB SER A 6 0.343 -14.725 4.153 1.00 0.00 C ATOM 53 OG SER A 6 1.135 -15.849 3.810 1.00 0.00 O ATOM 0 H SER A 6 -1.545 -16.061 3.292 1.00 0.00 H new ATOM 0 HA SER A 6 -0.467 -15.707 5.884 1.00 0.00 H new ATOM 0 HB2 SER A 6 -0.025 -14.245 3.246 1.00 0.00 H new ATOM 0 HB3 SER A 6 0.955 -13.991 4.676 1.00 0.00 H new ATOM 0 HG SER A 6 1.882 -15.562 3.245 1.00 0.00 H new ATOM 59 N GLY A 7 -2.416 -13.315 4.740 1.00 0.00 N ATOM 60 CA GLY A 7 -3.145 -12.126 5.142 1.00 0.00 C ATOM 61 C GLY A 7 -4.225 -12.425 6.162 1.00 0.00 C ATOM 62 O GLY A 7 -5.216 -13.088 5.853 1.00 0.00 O ATOM 0 H GLY A 7 -2.629 -13.651 3.801 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -2.447 -11.399 5.559 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -3.597 -11.666 4.263 1.00 0.00 H new ATOM 66 N LYS A 8 -4.034 -11.938 7.383 1.00 0.00 N ATOM 67 CA LYS A 8 -5.000 -12.157 8.454 1.00 0.00 C ATOM 68 C LYS A 8 -5.703 -10.856 8.827 1.00 0.00 C ATOM 69 O LYS A 8 -5.114 -9.775 8.803 1.00 0.00 O ATOM 70 CB LYS A 8 -4.303 -12.743 9.684 1.00 0.00 C ATOM 71 CG LYS A 8 -3.912 -14.202 9.524 1.00 0.00 C ATOM 72 CD LYS A 8 -3.914 -14.930 10.858 1.00 0.00 C ATOM 73 CE LYS A 8 -3.317 -16.323 10.734 1.00 0.00 C ATOM 74 NZ LYS A 8 -3.755 -17.215 11.843 1.00 0.00 N ATOM 0 H LYS A 8 -3.219 -11.389 7.656 1.00 0.00 H new ATOM 0 HA LYS A 8 -5.748 -12.864 8.096 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -3.409 -12.157 9.898 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -4.963 -12.645 10.546 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -4.605 -14.692 8.840 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -2.921 -14.267 9.075 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -3.347 -14.354 11.589 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -4.935 -15.003 11.232 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -3.610 -16.760 9.779 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -2.229 -16.253 10.732 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -3.327 -18.155 11.722 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -3.454 -16.811 12.753 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -4.791 -17.303 11.829 1.00 0.00 H new ATOM 88 N PRO A 9 -6.993 -10.960 9.180 1.00 0.00 N ATOM 89 CA PRO A 9 -7.803 -9.801 9.567 1.00 0.00 C ATOM 90 C PRO A 9 -7.380 -9.220 10.912 1.00 0.00 C ATOM 91 O PRO A 9 -7.241 -9.945 11.896 1.00 0.00 O ATOM 92 CB PRO A 9 -9.221 -10.373 9.654 1.00 0.00 C ATOM 93 CG PRO A 9 -9.027 -11.823 9.936 1.00 0.00 C ATOM 94 CD PRO A 9 -7.759 -12.217 9.231 1.00 0.00 C ATOM 0 HA PRO A 9 -7.702 -8.979 8.859 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -9.795 -9.889 10.444 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -9.767 -10.220 8.723 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -8.950 -12.005 11.008 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -9.873 -12.407 9.573 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -7.221 -12.994 9.775 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -7.959 -12.607 8.233 1.00 0.00 H new ATOM 102 N ASN A 10 -7.176 -7.907 10.946 1.00 0.00 N ATOM 103 CA ASN A 10 -6.768 -7.229 12.171 1.00 0.00 C ATOM 104 C ASN A 10 -7.917 -6.406 12.745 1.00 0.00 C ATOM 105 O ASN A 10 -8.993 -6.322 12.151 1.00 0.00 O ATOM 106 CB ASN A 10 -5.563 -6.325 11.901 1.00 0.00 C ATOM 107 CG ASN A 10 -5.860 -5.261 10.861 1.00 0.00 C ATOM 108 OD1 ASN A 10 -6.910 -4.619 10.896 1.00 0.00 O ATOM 109 ND2 ASN A 10 -4.934 -5.071 9.929 1.00 0.00 N ATOM 0 H ASN A 10 -7.286 -7.292 10.140 1.00 0.00 H new ATOM 0 HA ASN A 10 -6.488 -7.988 12.901 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -5.257 -5.845 12.831 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -4.724 -6.934 11.565 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -5.078 -4.369 9.203 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -4.079 -5.627 9.939 1.00 0.00 H new ATOM 116 N LEU A 11 -7.682 -5.800 13.904 1.00 0.00 N ATOM 117 CA LEU A 11 -8.696 -4.982 14.560 1.00 0.00 C ATOM 118 C LEU A 11 -9.382 -4.059 13.558 1.00 0.00 C ATOM 119 O LEU A 11 -10.574 -3.776 13.674 1.00 0.00 O ATOM 120 CB LEU A 11 -8.067 -4.158 15.684 1.00 0.00 C ATOM 121 CG LEU A 11 -9.039 -3.550 16.696 1.00 0.00 C ATOM 122 CD1 LEU A 11 -9.361 -4.551 17.794 1.00 0.00 C ATOM 123 CD2 LEU A 11 -8.462 -2.273 17.288 1.00 0.00 C ATOM 0 H LEU A 11 -6.798 -5.860 14.409 1.00 0.00 H new ATOM 0 HA LEU A 11 -9.447 -5.649 14.985 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -7.363 -4.793 16.223 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -7.489 -3.350 15.235 1.00 0.00 H new ATOM 0 HG LEU A 11 -9.965 -3.300 16.178 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -10.054 -4.101 18.505 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -9.817 -5.438 17.355 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -8.443 -4.832 18.310 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -9.167 -1.854 18.006 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -7.522 -2.498 17.791 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -8.283 -1.551 16.491 1.00 0.00 H new ATOM 135 N GLY A 12 -8.620 -3.593 12.573 1.00 0.00 N ATOM 136 CA GLY A 12 -9.172 -2.707 11.564 1.00 0.00 C ATOM 137 C GLY A 12 -9.666 -3.457 10.342 1.00 0.00 C ATOM 138 O GLY A 12 -9.522 -2.984 9.216 1.00 0.00 O ATOM 0 H GLY A 12 -7.631 -3.813 12.456 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -9.996 -2.139 11.995 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -8.412 -1.987 11.262 1.00 0.00 H new ATOM 142 N ASN A 13 -10.248 -4.630 10.565 1.00 0.00 N ATOM 143 CA ASN A 13 -10.763 -5.448 9.473 1.00 0.00 C ATOM 144 C ASN A 13 -9.857 -5.354 8.249 1.00 0.00 C ATOM 145 O ASN A 13 -10.318 -5.451 7.113 1.00 0.00 O ATOM 146 CB ASN A 13 -12.182 -5.011 9.106 1.00 0.00 C ATOM 147 CG ASN A 13 -13.129 -5.068 10.289 1.00 0.00 C ATOM 148 OD1 ASN A 13 -13.823 -6.063 10.496 1.00 0.00 O ATOM 149 ND2 ASN A 13 -13.162 -3.996 11.072 1.00 0.00 N ATOM 0 H ASN A 13 -10.375 -5.036 11.492 1.00 0.00 H new ATOM 0 HA ASN A 13 -10.785 -6.485 9.808 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -12.156 -3.994 8.714 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -12.562 -5.651 8.309 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -13.780 -3.976 11.883 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -12.569 -3.193 10.863 1.00 0.00 H new ATOM 156 N GLY A 14 -8.563 -5.164 8.491 1.00 0.00 N ATOM 157 CA GLY A 14 -7.612 -5.060 7.399 1.00 0.00 C ATOM 158 C GLY A 14 -6.923 -6.377 7.103 1.00 0.00 C ATOM 159 O GLY A 14 -7.507 -7.445 7.282 1.00 0.00 O ATOM 0 H GLY A 14 -8.157 -5.080 9.423 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -8.128 -4.714 6.503 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -6.862 -4.308 7.645 1.00 0.00 H new ATOM 163 N ALA A 15 -5.677 -6.301 6.647 1.00 0.00 N ATOM 164 CA ALA A 15 -4.907 -7.497 6.325 1.00 0.00 C ATOM 165 C ALA A 15 -3.436 -7.314 6.680 1.00 0.00 C ATOM 166 O ALA A 15 -2.808 -6.333 6.281 1.00 0.00 O ATOM 167 CB ALA A 15 -5.058 -7.841 4.851 1.00 0.00 C ATOM 0 H ALA A 15 -5.179 -5.424 6.492 1.00 0.00 H new ATOM 0 HA ALA A 15 -5.297 -8.322 6.921 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -4.478 -8.736 4.625 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -6.109 -8.023 4.626 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -4.696 -7.011 4.245 1.00 0.00 H new ATOM 173 N ASP A 16 -2.891 -8.264 7.431 1.00 0.00 N ATOM 174 CA ASP A 16 -1.492 -8.208 7.840 1.00 0.00 C ATOM 175 C ASP A 16 -0.597 -8.891 6.810 1.00 0.00 C ATOM 176 O ASP A 16 -0.527 -10.120 6.750 1.00 0.00 O ATOM 177 CB ASP A 16 -1.311 -8.867 9.208 1.00 0.00 C ATOM 178 CG ASP A 16 0.093 -8.695 9.753 1.00 0.00 C ATOM 179 OD1 ASP A 16 0.554 -7.538 9.851 1.00 0.00 O ATOM 180 OD2 ASP A 16 0.731 -9.716 10.082 1.00 0.00 O ATOM 0 H ASP A 16 -3.397 -9.083 7.769 1.00 0.00 H new ATOM 0 HA ASP A 16 -1.201 -7.160 7.910 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -2.025 -8.439 9.911 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -1.539 -9.930 9.129 1.00 0.00 H new ATOM 185 N LEU A 17 0.084 -8.088 6.001 1.00 0.00 N ATOM 186 CA LEU A 17 0.974 -8.615 4.972 1.00 0.00 C ATOM 187 C LEU A 17 2.422 -8.615 5.452 1.00 0.00 C ATOM 188 O LEU A 17 2.823 -7.809 6.292 1.00 0.00 O ATOM 189 CB LEU A 17 0.850 -7.789 3.690 1.00 0.00 C ATOM 190 CG LEU A 17 -0.511 -7.137 3.441 1.00 0.00 C ATOM 191 CD1 LEU A 17 -0.568 -6.538 2.045 1.00 0.00 C ATOM 192 CD2 LEU A 17 -1.631 -8.148 3.637 1.00 0.00 C ATOM 0 H LEU A 17 0.037 -7.070 6.037 1.00 0.00 H new ATOM 0 HA LEU A 17 0.679 -9.644 4.764 1.00 0.00 H new ATOM 0 HB2 LEU A 17 1.607 -7.005 3.712 1.00 0.00 H new ATOM 0 HB3 LEU A 17 1.082 -8.434 2.842 1.00 0.00 H new ATOM 0 HG LEU A 17 -0.645 -6.333 4.164 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -1.544 -6.079 1.886 1.00 0.00 H new ATOM 0 HD12 LEU A 17 0.210 -5.782 1.941 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -0.412 -7.323 1.305 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -2.592 -7.666 3.456 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -1.502 -8.974 2.938 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -1.603 -8.529 4.658 1.00 0.00 H new ATOM 204 N PRO A 18 3.227 -9.538 4.905 1.00 0.00 N ATOM 205 CA PRO A 18 4.644 -9.663 5.260 1.00 0.00 C ATOM 206 C PRO A 18 5.475 -8.492 4.748 1.00 0.00 C ATOM 207 O PRO A 18 6.606 -8.283 5.187 1.00 0.00 O ATOM 208 CB PRO A 18 5.068 -10.963 4.572 1.00 0.00 C ATOM 209 CG PRO A 18 4.121 -11.115 3.432 1.00 0.00 C ATOM 210 CD PRO A 18 2.816 -10.530 3.897 1.00 0.00 C ATOM 0 HA PRO A 18 4.796 -9.667 6.339 1.00 0.00 H new ATOM 0 HB2 PRO A 18 6.100 -10.909 4.225 1.00 0.00 H new ATOM 0 HB3 PRO A 18 5.005 -11.811 5.254 1.00 0.00 H new ATOM 0 HG2 PRO A 18 4.489 -10.595 2.547 1.00 0.00 H new ATOM 0 HG3 PRO A 18 4.003 -12.164 3.159 1.00 0.00 H new ATOM 0 HD2 PRO A 18 2.269 -10.066 3.077 1.00 0.00 H new ATOM 0 HD3 PRO A 18 2.164 -11.291 4.325 1.00 0.00 H new ATOM 218 N ASN A 19 4.908 -7.731 3.818 1.00 0.00 N ATOM 219 CA ASN A 19 5.598 -6.581 3.246 1.00 0.00 C ATOM 220 C ASN A 19 5.158 -5.289 3.927 1.00 0.00 C ATOM 221 O ASN A 19 5.908 -4.314 3.976 1.00 0.00 O ATOM 222 CB ASN A 19 5.330 -6.495 1.742 1.00 0.00 C ATOM 223 CG ASN A 19 6.300 -7.335 0.933 1.00 0.00 C ATOM 224 OD1 ASN A 19 6.916 -8.265 1.453 1.00 0.00 O ATOM 225 ND2 ASN A 19 6.439 -7.009 -0.347 1.00 0.00 N ATOM 0 H ASN A 19 3.972 -7.890 3.444 1.00 0.00 H new ATOM 0 HA ASN A 19 6.668 -6.712 3.411 1.00 0.00 H new ATOM 0 HB2 ASN A 19 4.311 -6.824 1.538 1.00 0.00 H new ATOM 0 HB3 ASN A 19 5.400 -5.455 1.422 1.00 0.00 H new ATOM 0 HD21 ASN A 19 7.077 -7.538 -0.942 1.00 0.00 H new ATOM 0 HD22 ASN A 19 5.908 -6.230 -0.735 1.00 0.00 H new ATOM 232 N TYR A 20 3.938 -5.289 4.452 1.00 0.00 N ATOM 233 CA TYR A 20 3.397 -4.117 5.129 1.00 0.00 C ATOM 234 C TYR A 20 2.042 -4.427 5.757 1.00 0.00 C ATOM 235 O TYR A 20 1.457 -5.482 5.509 1.00 0.00 O ATOM 236 CB TYR A 20 3.261 -2.952 4.147 1.00 0.00 C ATOM 237 CG TYR A 20 2.520 -3.312 2.879 1.00 0.00 C ATOM 238 CD1 TYR A 20 1.135 -3.419 2.868 1.00 0.00 C ATOM 239 CD2 TYR A 20 3.205 -3.546 1.693 1.00 0.00 C ATOM 240 CE1 TYR A 20 0.453 -3.749 1.712 1.00 0.00 C ATOM 241 CE2 TYR A 20 2.531 -3.875 0.533 1.00 0.00 C ATOM 242 CZ TYR A 20 1.156 -3.975 0.547 1.00 0.00 C ATOM 243 OH TYR A 20 0.481 -4.304 -0.606 1.00 0.00 O ATOM 0 H TYR A 20 3.305 -6.088 4.422 1.00 0.00 H new ATOM 0 HA TYR A 20 4.089 -3.836 5.923 1.00 0.00 H new ATOM 0 HB2 TYR A 20 2.742 -2.131 4.641 1.00 0.00 H new ATOM 0 HB3 TYR A 20 4.255 -2.590 3.886 1.00 0.00 H new ATOM 0 HD1 TYR A 20 0.582 -3.241 3.778 1.00 0.00 H new ATOM 0 HD2 TYR A 20 4.282 -3.469 1.678 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -0.624 -3.829 1.721 1.00 0.00 H new ATOM 0 HE2 TYR A 20 3.079 -4.053 -0.381 1.00 0.00 H new ATOM 0 HH TYR A 20 1.122 -4.429 -1.336 1.00 0.00 H new ATOM 253 N ARG A 21 1.548 -3.501 6.572 1.00 0.00 N ATOM 254 CA ARG A 21 0.262 -3.674 7.237 1.00 0.00 C ATOM 255 C ARG A 21 -0.657 -2.488 6.961 1.00 0.00 C ATOM 256 O ARG A 21 -0.209 -1.343 6.909 1.00 0.00 O ATOM 257 CB ARG A 21 0.462 -3.839 8.745 1.00 0.00 C ATOM 258 CG ARG A 21 1.251 -2.707 9.382 1.00 0.00 C ATOM 259 CD ARG A 21 2.744 -2.995 9.373 1.00 0.00 C ATOM 260 NE ARG A 21 3.490 -2.042 10.191 1.00 0.00 N ATOM 261 CZ ARG A 21 4.700 -2.284 10.681 1.00 0.00 C ATOM 262 NH1 ARG A 21 5.299 -3.441 10.437 1.00 0.00 N ATOM 263 NH2 ARG A 21 5.315 -1.366 11.417 1.00 0.00 N ATOM 0 H ARG A 21 2.019 -2.623 6.788 1.00 0.00 H new ATOM 0 HA ARG A 21 -0.207 -4.574 6.839 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -0.513 -3.907 9.227 1.00 0.00 H new ATOM 0 HB3 ARG A 21 0.977 -4.781 8.934 1.00 0.00 H new ATOM 0 HG2 ARG A 21 1.055 -1.779 8.845 1.00 0.00 H new ATOM 0 HG3 ARG A 21 0.914 -2.559 10.408 1.00 0.00 H new ATOM 0 HD2 ARG A 21 2.921 -4.005 9.742 1.00 0.00 H new ATOM 0 HD3 ARG A 21 3.114 -2.961 8.348 1.00 0.00 H new ATOM 0 HE ARG A 21 3.058 -1.141 10.397 1.00 0.00 H new ATOM 0 HH11 ARG A 21 4.830 -4.149 9.871 1.00 0.00 H new ATOM 0 HH12 ARG A 21 6.229 -3.624 10.815 1.00 0.00 H new ATOM 0 HH21 ARG A 21 4.858 -0.474 11.606 1.00 0.00 H new ATOM 0 HH22 ARG A 21 6.245 -1.553 11.793 1.00 0.00 H new ATOM 277 N TRP A 22 -1.943 -2.771 6.786 1.00 0.00 N ATOM 278 CA TRP A 22 -2.925 -1.727 6.515 1.00 0.00 C ATOM 279 C TRP A 22 -4.288 -2.101 7.086 1.00 0.00 C ATOM 280 O TRP A 22 -4.641 -3.279 7.157 1.00 0.00 O ATOM 281 CB TRP A 22 -3.037 -1.483 5.010 1.00 0.00 C ATOM 282 CG TRP A 22 -3.503 -2.685 4.246 1.00 0.00 C ATOM 283 CD1 TRP A 22 -2.729 -3.546 3.521 1.00 0.00 C ATOM 284 CD2 TRP A 22 -4.849 -3.158 4.130 1.00 0.00 C ATOM 285 NE1 TRP A 22 -3.513 -4.526 2.961 1.00 0.00 N ATOM 286 CE2 TRP A 22 -4.818 -4.311 3.320 1.00 0.00 C ATOM 287 CE3 TRP A 22 -6.078 -2.722 4.632 1.00 0.00 C ATOM 288 CZ2 TRP A 22 -5.967 -5.029 3.003 1.00 0.00 C ATOM 289 CZ3 TRP A 22 -7.218 -3.435 4.315 1.00 0.00 C ATOM 290 CH2 TRP A 22 -7.157 -4.579 3.508 1.00 0.00 C ATOM 0 H TRP A 22 -2.330 -3.714 6.827 1.00 0.00 H new ATOM 0 HA TRP A 22 -2.589 -0.811 7.000 1.00 0.00 H new ATOM 0 HB2 TRP A 22 -3.728 -0.659 4.833 1.00 0.00 H new ATOM 0 HB3 TRP A 22 -2.065 -1.172 4.626 1.00 0.00 H new ATOM 0 HD1 TRP A 22 -1.658 -3.468 3.405 1.00 0.00 H new ATOM 0 HE1 TRP A 22 -3.178 -5.290 2.373 1.00 0.00 H new ATOM 0 HE3 TRP A 22 -6.136 -1.843 5.257 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 -5.921 -5.910 2.380 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 -8.173 -3.105 4.696 1.00 0.00 H new ATOM 0 HH2 TRP A 22 -8.066 -5.116 3.280 1.00 0.00 H new ATOM 301 N THR A 23 -5.053 -1.092 7.491 1.00 0.00 N ATOM 302 CA THR A 23 -6.377 -1.316 8.056 1.00 0.00 C ATOM 303 C THR A 23 -7.451 -0.609 7.237 1.00 0.00 C ATOM 304 O THR A 23 -7.166 0.350 6.521 1.00 0.00 O ATOM 305 CB THR A 23 -6.456 -0.828 9.515 1.00 0.00 C ATOM 306 OG1 THR A 23 -6.009 0.530 9.602 1.00 0.00 O ATOM 307 CG2 THR A 23 -5.610 -1.705 10.425 1.00 0.00 C ATOM 0 H THR A 23 -4.778 -0.111 7.438 1.00 0.00 H new ATOM 0 HA THR A 23 -6.553 -2.391 8.031 1.00 0.00 H new ATOM 0 HB THR A 23 -7.495 -0.890 9.840 1.00 0.00 H new ATOM 0 HG1 THR A 23 -6.064 0.833 10.532 1.00 0.00 H new ATOM 0 HG21 THR A 23 -5.681 -1.341 11.450 1.00 0.00 H new ATOM 0 HG22 THR A 23 -5.971 -2.732 10.379 1.00 0.00 H new ATOM 0 HG23 THR A 23 -4.570 -1.671 10.099 1.00 0.00 H new ATOM 315 N GLN A 24 -8.686 -1.088 7.349 1.00 0.00 N ATOM 316 CA GLN A 24 -9.802 -0.500 6.618 1.00 0.00 C ATOM 317 C GLN A 24 -11.067 -0.492 7.470 1.00 0.00 C ATOM 318 O GLN A 24 -11.401 -1.486 8.116 1.00 0.00 O ATOM 319 CB GLN A 24 -10.052 -1.271 5.321 1.00 0.00 C ATOM 320 CG GLN A 24 -10.597 -2.673 5.542 1.00 0.00 C ATOM 321 CD GLN A 24 -10.451 -3.556 4.318 1.00 0.00 C ATOM 322 OE1 GLN A 24 -9.882 -3.145 3.306 1.00 0.00 O ATOM 323 NE2 GLN A 24 -10.964 -4.777 4.404 1.00 0.00 N ATOM 0 H GLN A 24 -8.939 -1.881 7.939 1.00 0.00 H new ATOM 0 HA GLN A 24 -9.542 0.531 6.376 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -10.754 -0.710 4.704 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -9.119 -1.337 4.762 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -10.076 -3.133 6.381 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -11.650 -2.610 5.816 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -11.427 -5.076 5.262 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -10.895 -5.416 3.612 1.00 0.00 H new ATOM 332 N THR A 25 -11.768 0.638 7.468 1.00 0.00 N ATOM 333 CA THR A 25 -12.995 0.777 8.242 1.00 0.00 C ATOM 334 C THR A 25 -14.076 1.489 7.436 1.00 0.00 C ATOM 335 O THR A 25 -13.826 1.964 6.328 1.00 0.00 O ATOM 336 CB THR A 25 -12.750 1.553 9.550 1.00 0.00 C ATOM 337 OG1 THR A 25 -12.385 2.906 9.255 1.00 0.00 O ATOM 338 CG2 THR A 25 -11.653 0.894 10.373 1.00 0.00 C ATOM 0 H THR A 25 -11.507 1.470 6.939 1.00 0.00 H new ATOM 0 HA THR A 25 -13.331 -0.231 8.485 1.00 0.00 H new ATOM 0 HB THR A 25 -13.672 1.544 10.131 1.00 0.00 H new ATOM 0 HG1 THR A 25 -11.787 2.922 8.479 1.00 0.00 H new ATOM 0 HG21 THR A 25 -11.498 1.460 11.292 1.00 0.00 H new ATOM 0 HG22 THR A 25 -11.947 -0.126 10.620 1.00 0.00 H new ATOM 0 HG23 THR A 25 -10.728 0.876 9.797 1.00 0.00 H new ATOM 346 N LEU A 26 -15.276 1.562 8.000 1.00 0.00 N ATOM 347 CA LEU A 26 -16.396 2.218 7.334 1.00 0.00 C ATOM 348 C LEU A 26 -16.120 3.706 7.144 1.00 0.00 C ATOM 349 O LEU A 26 -16.839 4.393 6.419 1.00 0.00 O ATOM 350 CB LEU A 26 -17.680 2.024 8.142 1.00 0.00 C ATOM 351 CG LEU A 26 -18.452 0.731 7.877 1.00 0.00 C ATOM 352 CD1 LEU A 26 -19.792 0.752 8.595 1.00 0.00 C ATOM 353 CD2 LEU A 26 -18.649 0.524 6.382 1.00 0.00 C ATOM 0 H LEU A 26 -15.499 1.175 8.917 1.00 0.00 H new ATOM 0 HA LEU A 26 -16.521 1.762 6.352 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -17.428 2.062 9.202 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -18.342 2.866 7.942 1.00 0.00 H new ATOM 0 HG LEU A 26 -17.868 -0.104 8.265 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -20.327 -0.176 8.394 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -19.628 0.852 9.668 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -20.383 1.596 8.238 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -19.200 -0.401 6.212 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -19.211 1.362 5.970 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -17.677 0.462 5.892 1.00 0.00 H new ATOM 365 N ALA A 27 -15.073 4.197 7.799 1.00 0.00 N ATOM 366 CA ALA A 27 -14.700 5.602 7.699 1.00 0.00 C ATOM 367 C ALA A 27 -13.646 5.815 6.617 1.00 0.00 C ATOM 368 O ALA A 27 -13.923 6.413 5.578 1.00 0.00 O ATOM 369 CB ALA A 27 -14.191 6.110 9.040 1.00 0.00 C ATOM 0 H ALA A 27 -14.468 3.642 8.405 1.00 0.00 H new ATOM 0 HA ALA A 27 -15.589 6.169 7.421 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -13.916 7.161 8.950 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -14.974 6.003 9.791 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -13.318 5.531 9.341 1.00 0.00 H new ATOM 375 N GLU A 28 -12.438 5.321 6.869 1.00 0.00 N ATOM 376 CA GLU A 28 -11.343 5.460 5.915 1.00 0.00 C ATOM 377 C GLU A 28 -10.364 4.296 6.039 1.00 0.00 C ATOM 378 O GLU A 28 -10.490 3.455 6.930 1.00 0.00 O ATOM 379 CB GLU A 28 -10.609 6.784 6.137 1.00 0.00 C ATOM 380 CG GLU A 28 -10.093 6.964 7.554 1.00 0.00 C ATOM 381 CD GLU A 28 -11.148 7.516 8.493 1.00 0.00 C ATOM 382 OE1 GLU A 28 -11.836 8.485 8.108 1.00 0.00 O ATOM 383 OE2 GLU A 28 -11.286 6.980 9.613 1.00 0.00 O ATOM 0 H GLU A 28 -12.193 4.822 7.724 1.00 0.00 H new ATOM 0 HA GLU A 28 -11.766 5.452 4.910 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -9.770 6.845 5.444 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -11.282 7.607 5.897 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -9.741 6.005 7.933 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -9.235 7.636 7.542 1.00 0.00 H new ATOM 390 N LEU A 29 -9.389 4.253 5.138 1.00 0.00 N ATOM 391 CA LEU A 29 -8.387 3.192 5.144 1.00 0.00 C ATOM 392 C LEU A 29 -7.010 3.745 5.495 1.00 0.00 C ATOM 393 O LEU A 29 -6.722 4.918 5.258 1.00 0.00 O ATOM 394 CB LEU A 29 -8.339 2.501 3.780 1.00 0.00 C ATOM 395 CG LEU A 29 -7.950 1.022 3.790 1.00 0.00 C ATOM 396 CD1 LEU A 29 -8.540 0.307 2.584 1.00 0.00 C ATOM 397 CD2 LEU A 29 -6.436 0.869 3.815 1.00 0.00 C ATOM 0 H LEU A 29 -9.271 4.940 4.394 1.00 0.00 H new ATOM 0 HA LEU A 29 -8.670 2.464 5.904 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -9.319 2.595 3.313 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -7.632 3.038 3.148 1.00 0.00 H new ATOM 0 HG LEU A 29 -8.356 0.565 4.692 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -8.253 -0.744 2.608 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -9.627 0.387 2.609 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -8.164 0.765 1.669 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -6.177 -0.190 3.822 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -6.008 1.341 2.931 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -6.037 1.346 4.710 1.00 0.00 H new ATOM 409 N ASP A 30 -6.163 2.893 6.061 1.00 0.00 N ATOM 410 CA ASP A 30 -4.814 3.295 6.442 1.00 0.00 C ATOM 411 C ASP A 30 -3.796 2.232 6.041 1.00 0.00 C ATOM 412 O ASP A 30 -4.050 1.034 6.170 1.00 0.00 O ATOM 413 CB ASP A 30 -4.740 3.546 7.949 1.00 0.00 C ATOM 414 CG ASP A 30 -3.495 4.313 8.348 1.00 0.00 C ATOM 415 OD1 ASP A 30 -3.518 5.559 8.279 1.00 0.00 O ATOM 416 OD2 ASP A 30 -2.496 3.666 8.729 1.00 0.00 O ATOM 0 H ASP A 30 -6.387 1.919 6.266 1.00 0.00 H new ATOM 0 HA ASP A 30 -4.575 4.219 5.915 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -5.623 4.102 8.265 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -4.759 2.591 8.475 1.00 0.00 H new ATOM 421 N LEU A 31 -2.643 2.679 5.553 1.00 0.00 N ATOM 422 CA LEU A 31 -1.586 1.766 5.132 1.00 0.00 C ATOM 423 C LEU A 31 -0.274 2.088 5.840 1.00 0.00 C ATOM 424 O LEU A 31 0.049 3.253 6.069 1.00 0.00 O ATOM 425 CB LEU A 31 -1.394 1.843 3.616 1.00 0.00 C ATOM 426 CG LEU A 31 0.020 1.563 3.105 1.00 0.00 C ATOM 427 CD1 LEU A 31 0.413 0.120 3.383 1.00 0.00 C ATOM 428 CD2 LEU A 31 0.118 1.866 1.616 1.00 0.00 C ATOM 0 H LEU A 31 -2.417 3.667 5.439 1.00 0.00 H new ATOM 0 HA LEU A 31 -1.884 0.753 5.404 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -2.076 1.134 3.147 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -1.689 2.838 3.282 1.00 0.00 H new ATOM 0 HG LEU A 31 0.713 2.215 3.636 1.00 0.00 H new ATOM 0 HD11 LEU A 31 1.422 -0.060 3.012 1.00 0.00 H new ATOM 0 HD12 LEU A 31 0.382 -0.065 4.457 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -0.284 -0.550 2.879 1.00 0.00 H new ATOM 0 HD21 LEU A 31 1.131 1.661 1.269 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -0.587 1.239 1.070 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -0.120 2.915 1.442 1.00 0.00 H new ATOM 440 N ALA A 32 0.479 1.048 6.182 1.00 0.00 N ATOM 441 CA ALA A 32 1.757 1.220 6.860 1.00 0.00 C ATOM 442 C ALA A 32 2.831 0.330 6.242 1.00 0.00 C ATOM 443 O ALA A 32 2.823 -0.887 6.425 1.00 0.00 O ATOM 444 CB ALA A 32 1.612 0.922 8.345 1.00 0.00 C ATOM 0 H ALA A 32 0.225 0.077 6.000 1.00 0.00 H new ATOM 0 HA ALA A 32 2.068 2.258 6.738 1.00 0.00 H new ATOM 0 HB1 ALA A 32 2.575 1.055 8.838 1.00 0.00 H new ATOM 0 HB2 ALA A 32 0.883 1.603 8.783 1.00 0.00 H new ATOM 0 HB3 ALA A 32 1.274 -0.106 8.479 1.00 0.00 H new ATOM 450 N VAL A 33 3.753 0.945 5.509 1.00 0.00 N ATOM 451 CA VAL A 33 4.834 0.208 4.864 1.00 0.00 C ATOM 452 C VAL A 33 6.142 0.368 5.631 1.00 0.00 C ATOM 453 O VAL A 33 6.859 1.358 5.485 1.00 0.00 O ATOM 454 CB VAL A 33 5.042 0.675 3.411 1.00 0.00 C ATOM 455 CG1 VAL A 33 6.156 -0.122 2.749 1.00 0.00 C ATOM 456 CG2 VAL A 33 3.748 0.554 2.622 1.00 0.00 C ATOM 0 H VAL A 33 3.774 1.952 5.347 1.00 0.00 H new ATOM 0 HA VAL A 33 4.544 -0.843 4.862 1.00 0.00 H new ATOM 0 HB VAL A 33 5.336 1.725 3.423 1.00 0.00 H new ATOM 0 HG11 VAL A 33 6.289 0.221 1.723 1.00 0.00 H new ATOM 0 HG12 VAL A 33 7.084 0.021 3.303 1.00 0.00 H new ATOM 0 HG13 VAL A 33 5.894 -1.180 2.746 1.00 0.00 H new ATOM 0 HG21 VAL A 33 3.914 0.888 1.598 1.00 0.00 H new ATOM 0 HG22 VAL A 33 3.421 -0.486 2.616 1.00 0.00 H new ATOM 0 HG23 VAL A 33 2.980 1.173 3.086 1.00 0.00 H new ATOM 466 N PRO A 34 6.463 -0.629 6.468 1.00 0.00 N ATOM 467 CA PRO A 34 7.687 -0.623 7.274 1.00 0.00 C ATOM 468 C PRO A 34 8.941 -0.802 6.425 1.00 0.00 C ATOM 469 O PRO A 34 9.084 -1.795 5.712 1.00 0.00 O ATOM 470 CB PRO A 34 7.501 -1.819 8.211 1.00 0.00 C ATOM 471 CG PRO A 34 6.574 -2.730 7.483 1.00 0.00 C ATOM 472 CD PRO A 34 5.655 -1.840 6.692 1.00 0.00 C ATOM 0 HA PRO A 34 7.828 0.325 7.793 1.00 0.00 H new ATOM 0 HB2 PRO A 34 8.452 -2.308 8.422 1.00 0.00 H new ATOM 0 HB3 PRO A 34 7.082 -1.510 9.169 1.00 0.00 H new ATOM 0 HG2 PRO A 34 7.125 -3.404 6.827 1.00 0.00 H new ATOM 0 HG3 PRO A 34 6.011 -3.352 8.179 1.00 0.00 H new ATOM 0 HD2 PRO A 34 5.357 -2.304 5.752 1.00 0.00 H new ATOM 0 HD3 PRO A 34 4.740 -1.617 7.241 1.00 0.00 H new ATOM 480 N PHE A 35 9.847 0.167 6.506 1.00 0.00 N ATOM 481 CA PHE A 35 11.090 0.117 5.744 1.00 0.00 C ATOM 482 C PHE A 35 12.271 -0.214 6.651 1.00 0.00 C ATOM 483 O PHE A 35 12.467 0.420 7.689 1.00 0.00 O ATOM 484 CB PHE A 35 11.333 1.451 5.036 1.00 0.00 C ATOM 485 CG PHE A 35 10.466 1.655 3.827 1.00 0.00 C ATOM 486 CD1 PHE A 35 10.703 0.947 2.660 1.00 0.00 C ATOM 487 CD2 PHE A 35 9.413 2.555 3.857 1.00 0.00 C ATOM 488 CE1 PHE A 35 9.907 1.133 1.546 1.00 0.00 C ATOM 489 CE2 PHE A 35 8.613 2.746 2.746 1.00 0.00 C ATOM 490 CZ PHE A 35 8.860 2.033 1.589 1.00 0.00 C ATOM 0 H PHE A 35 9.744 0.996 7.091 1.00 0.00 H new ATOM 0 HA PHE A 35 10.997 -0.671 4.996 1.00 0.00 H new ATOM 0 HB2 PHE A 35 11.158 2.264 5.740 1.00 0.00 H new ATOM 0 HB3 PHE A 35 12.379 1.509 4.737 1.00 0.00 H new ATOM 0 HD1 PHE A 35 11.520 0.241 2.621 1.00 0.00 H new ATOM 0 HD2 PHE A 35 9.215 3.114 4.759 1.00 0.00 H new ATOM 0 HE1 PHE A 35 10.103 0.575 0.642 1.00 0.00 H new ATOM 0 HE2 PHE A 35 7.796 3.452 2.783 1.00 0.00 H new ATOM 0 HZ PHE A 35 8.236 2.179 0.720 1.00 0.00 H new ATOM 500 N ARG A 36 13.056 -1.210 6.252 1.00 0.00 N ATOM 501 CA ARG A 36 14.217 -1.626 7.029 1.00 0.00 C ATOM 502 C ARG A 36 15.328 -0.583 6.947 1.00 0.00 C ATOM 503 O ARG A 36 16.347 -0.797 6.290 1.00 0.00 O ATOM 504 CB ARG A 36 14.733 -2.977 6.531 1.00 0.00 C ATOM 505 CG ARG A 36 15.146 -2.969 5.068 1.00 0.00 C ATOM 506 CD ARG A 36 15.058 -4.359 4.457 1.00 0.00 C ATOM 507 NE ARG A 36 14.760 -4.311 3.028 1.00 0.00 N ATOM 508 CZ ARG A 36 15.681 -4.108 2.092 1.00 0.00 C ATOM 509 NH1 ARG A 36 16.950 -3.936 2.433 1.00 0.00 N ATOM 510 NH2 ARG A 36 15.332 -4.078 0.812 1.00 0.00 N ATOM 0 H ARG A 36 12.909 -1.743 5.395 1.00 0.00 H new ATOM 0 HA ARG A 36 13.910 -1.724 8.070 1.00 0.00 H new ATOM 0 HB2 ARG A 36 15.586 -3.277 7.139 1.00 0.00 H new ATOM 0 HB3 ARG A 36 13.957 -3.729 6.677 1.00 0.00 H new ATOM 0 HG2 ARG A 36 14.506 -2.285 4.512 1.00 0.00 H new ATOM 0 HG3 ARG A 36 16.166 -2.595 4.979 1.00 0.00 H new ATOM 0 HD2 ARG A 36 16.000 -4.884 4.613 1.00 0.00 H new ATOM 0 HD3 ARG A 36 14.285 -4.932 4.969 1.00 0.00 H new ATOM 0 HE ARG A 36 13.792 -4.440 2.732 1.00 0.00 H new ATOM 0 HH11 ARG A 36 17.222 -3.959 3.416 1.00 0.00 H new ATOM 0 HH12 ARG A 36 17.655 -3.780 1.713 1.00 0.00 H new ATOM 0 HH21 ARG A 36 14.356 -4.211 0.546 1.00 0.00 H new ATOM 0 HH22 ARG A 36 16.040 -3.922 0.094 1.00 0.00 H new ATOM 524 N VAL A 37 15.124 0.546 7.619 1.00 0.00 N ATOM 525 CA VAL A 37 16.108 1.622 7.622 1.00 0.00 C ATOM 526 C VAL A 37 16.605 1.907 9.035 1.00 0.00 C ATOM 527 O VAL A 37 15.940 1.577 10.017 1.00 0.00 O ATOM 528 CB VAL A 37 15.527 2.916 7.023 1.00 0.00 C ATOM 529 CG1 VAL A 37 14.982 2.661 5.626 1.00 0.00 C ATOM 530 CG2 VAL A 37 14.445 3.484 7.931 1.00 0.00 C ATOM 0 H VAL A 37 14.286 0.739 8.168 1.00 0.00 H new ATOM 0 HA VAL A 37 16.943 1.289 7.006 1.00 0.00 H new ATOM 0 HB VAL A 37 16.328 3.651 6.945 1.00 0.00 H new ATOM 0 HG11 VAL A 37 14.576 3.587 5.219 1.00 0.00 H new ATOM 0 HG12 VAL A 37 15.785 2.303 4.982 1.00 0.00 H new ATOM 0 HG13 VAL A 37 14.194 1.910 5.674 1.00 0.00 H new ATOM 0 HG21 VAL A 37 14.045 4.398 7.493 1.00 0.00 H new ATOM 0 HG22 VAL A 37 13.643 2.754 8.042 1.00 0.00 H new ATOM 0 HG23 VAL A 37 14.871 3.707 8.909 1.00 0.00 H new ATOM 540 N SER A 38 17.779 2.522 9.130 1.00 0.00 N ATOM 541 CA SER A 38 18.368 2.849 10.424 1.00 0.00 C ATOM 542 C SER A 38 18.507 4.359 10.591 1.00 0.00 C ATOM 543 O SER A 38 19.093 4.836 11.563 1.00 0.00 O ATOM 544 CB SER A 38 19.736 2.180 10.569 1.00 0.00 C ATOM 545 OG SER A 38 20.031 1.910 11.928 1.00 0.00 O ATOM 0 H SER A 38 18.341 2.804 8.327 1.00 0.00 H new ATOM 0 HA SER A 38 17.704 2.474 11.203 1.00 0.00 H new ATOM 0 HB2 SER A 38 19.752 1.251 9.999 1.00 0.00 H new ATOM 0 HB3 SER A 38 20.506 2.826 10.148 1.00 0.00 H new ATOM 0 HG SER A 38 20.910 1.481 11.993 1.00 0.00 H new ATOM 551 N PHE A 39 17.964 5.107 9.636 1.00 0.00 N ATOM 552 CA PHE A 39 18.028 6.563 9.675 1.00 0.00 C ATOM 553 C PHE A 39 16.638 7.172 9.519 1.00 0.00 C ATOM 554 O PHE A 39 15.638 6.456 9.450 1.00 0.00 O ATOM 555 CB PHE A 39 18.953 7.084 8.574 1.00 0.00 C ATOM 556 CG PHE A 39 18.545 6.652 7.194 1.00 0.00 C ATOM 557 CD1 PHE A 39 18.889 5.397 6.717 1.00 0.00 C ATOM 558 CD2 PHE A 39 17.817 7.500 6.375 1.00 0.00 C ATOM 559 CE1 PHE A 39 18.515 4.998 5.448 1.00 0.00 C ATOM 560 CE2 PHE A 39 17.441 7.105 5.105 1.00 0.00 C ATOM 561 CZ PHE A 39 17.789 5.852 4.641 1.00 0.00 C ATOM 0 H PHE A 39 17.474 4.728 8.825 1.00 0.00 H new ATOM 0 HA PHE A 39 18.428 6.859 10.645 1.00 0.00 H new ATOM 0 HB2 PHE A 39 18.974 8.173 8.614 1.00 0.00 H new ATOM 0 HB3 PHE A 39 19.968 6.738 8.769 1.00 0.00 H new ATOM 0 HD1 PHE A 39 19.455 4.724 7.344 1.00 0.00 H new ATOM 0 HD2 PHE A 39 17.540 8.481 6.733 1.00 0.00 H new ATOM 0 HE1 PHE A 39 18.790 4.018 5.087 1.00 0.00 H new ATOM 0 HE2 PHE A 39 16.875 7.776 4.476 1.00 0.00 H new ATOM 0 HZ PHE A 39 17.494 5.541 3.650 1.00 0.00 H new ATOM 571 N ARG A 40 16.582 8.499 9.464 1.00 0.00 N ATOM 572 CA ARG A 40 15.316 9.206 9.317 1.00 0.00 C ATOM 573 C ARG A 40 14.970 9.402 7.844 1.00 0.00 C ATOM 574 O ARG A 40 15.790 9.883 7.061 1.00 0.00 O ATOM 575 CB ARG A 40 15.379 10.562 10.022 1.00 0.00 C ATOM 576 CG ARG A 40 14.077 11.342 9.960 1.00 0.00 C ATOM 577 CD ARG A 40 14.092 12.529 10.911 1.00 0.00 C ATOM 578 NE ARG A 40 13.243 13.619 10.439 1.00 0.00 N ATOM 579 CZ ARG A 40 13.347 14.871 10.871 1.00 0.00 C ATOM 580 NH1 ARG A 40 14.259 15.189 11.779 1.00 0.00 N ATOM 581 NH2 ARG A 40 12.537 15.808 10.394 1.00 0.00 N ATOM 0 H ARG A 40 17.400 9.106 9.519 1.00 0.00 H new ATOM 0 HA ARG A 40 14.536 8.601 9.778 1.00 0.00 H new ATOM 0 HB2 ARG A 40 15.650 10.407 11.066 1.00 0.00 H new ATOM 0 HB3 ARG A 40 16.172 11.159 9.572 1.00 0.00 H new ATOM 0 HG2 ARG A 40 13.910 11.693 8.942 1.00 0.00 H new ATOM 0 HG3 ARG A 40 13.245 10.684 10.211 1.00 0.00 H new ATOM 0 HD2 ARG A 40 13.755 12.208 11.897 1.00 0.00 H new ATOM 0 HD3 ARG A 40 15.114 12.889 11.025 1.00 0.00 H new ATOM 0 HE ARG A 40 12.531 13.408 9.740 1.00 0.00 H new ATOM 0 HH11 ARG A 40 14.883 14.472 12.148 1.00 0.00 H new ATOM 0 HH12 ARG A 40 14.337 16.151 12.109 1.00 0.00 H new ATOM 0 HH21 ARG A 40 11.834 15.567 9.695 1.00 0.00 H new ATOM 0 HH22 ARG A 40 12.617 16.769 10.726 1.00 0.00 H new ATOM 595 N LEU A 41 13.751 9.026 7.473 1.00 0.00 N ATOM 596 CA LEU A 41 13.296 9.160 6.093 1.00 0.00 C ATOM 597 C LEU A 41 12.724 10.551 5.841 1.00 0.00 C ATOM 598 O LEU A 41 11.984 11.089 6.665 1.00 0.00 O ATOM 599 CB LEU A 41 12.242 8.098 5.778 1.00 0.00 C ATOM 600 CG LEU A 41 12.739 6.653 5.729 1.00 0.00 C ATOM 601 CD1 LEU A 41 11.567 5.688 5.632 1.00 0.00 C ATOM 602 CD2 LEU A 41 13.693 6.455 4.560 1.00 0.00 C ATOM 0 H LEU A 41 13.060 8.626 8.108 1.00 0.00 H new ATOM 0 HA LEU A 41 14.155 9.016 5.437 1.00 0.00 H new ATOM 0 HB2 LEU A 41 11.453 8.165 6.527 1.00 0.00 H new ATOM 0 HB3 LEU A 41 11.789 8.338 4.816 1.00 0.00 H new ATOM 0 HG LEU A 41 13.280 6.444 6.652 1.00 0.00 H new ATOM 0 HD11 LEU A 41 11.940 4.664 5.598 1.00 0.00 H new ATOM 0 HD12 LEU A 41 10.922 5.810 6.502 1.00 0.00 H new ATOM 0 HD13 LEU A 41 10.998 5.897 4.726 1.00 0.00 H new ATOM 0 HD21 LEU A 41 14.036 5.421 4.542 1.00 0.00 H new ATOM 0 HD22 LEU A 41 13.178 6.683 3.627 1.00 0.00 H new ATOM 0 HD23 LEU A 41 14.550 7.119 4.673 1.00 0.00 H new ATOM 614 N LYS A 42 13.070 11.129 4.696 1.00 0.00 N ATOM 615 CA LYS A 42 12.588 12.457 4.332 1.00 0.00 C ATOM 616 C LYS A 42 11.518 12.369 3.249 1.00 0.00 C ATOM 617 O LYS A 42 11.593 11.528 2.354 1.00 0.00 O ATOM 618 CB LYS A 42 13.750 13.327 3.847 1.00 0.00 C ATOM 619 CG LYS A 42 14.823 13.550 4.898 1.00 0.00 C ATOM 620 CD LYS A 42 14.472 14.708 5.818 1.00 0.00 C ATOM 621 CE LYS A 42 15.262 14.648 7.116 1.00 0.00 C ATOM 622 NZ LYS A 42 16.721 14.833 6.886 1.00 0.00 N ATOM 0 H LYS A 42 13.683 10.699 4.003 1.00 0.00 H new ATOM 0 HA LYS A 42 12.146 12.912 5.218 1.00 0.00 H new ATOM 0 HB2 LYS A 42 14.202 12.860 2.972 1.00 0.00 H new ATOM 0 HB3 LYS A 42 13.360 14.293 3.527 1.00 0.00 H new ATOM 0 HG2 LYS A 42 14.950 12.642 5.487 1.00 0.00 H new ATOM 0 HG3 LYS A 42 15.777 13.749 4.409 1.00 0.00 H new ATOM 0 HD2 LYS A 42 14.675 15.651 5.311 1.00 0.00 H new ATOM 0 HD3 LYS A 42 13.405 14.688 6.039 1.00 0.00 H new ATOM 0 HE2 LYS A 42 14.901 15.419 7.797 1.00 0.00 H new ATOM 0 HE3 LYS A 42 15.090 13.688 7.602 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 17.224 14.786 7.795 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 17.071 14.083 6.257 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 16.888 15.760 6.446 1.00 0.00 H new ATOM 636 N GLY A 43 10.522 13.246 3.335 1.00 0.00 N ATOM 637 CA GLY A 43 9.452 13.251 2.355 1.00 0.00 C ATOM 638 C GLY A 43 9.963 13.085 0.937 1.00 0.00 C ATOM 639 O GLY A 43 9.255 12.571 0.070 1.00 0.00 O ATOM 0 H GLY A 43 10.437 13.953 4.066 1.00 0.00 H new ATOM 0 HA2 GLY A 43 8.752 12.447 2.582 1.00 0.00 H new ATOM 0 HA3 GLY A 43 8.898 14.187 2.431 1.00 0.00 H new ATOM 643 N LYS A 44 11.194 13.523 0.699 1.00 0.00 N ATOM 644 CA LYS A 44 11.800 13.421 -0.624 1.00 0.00 C ATOM 645 C LYS A 44 12.408 12.038 -0.838 1.00 0.00 C ATOM 646 O LYS A 44 12.345 11.486 -1.937 1.00 0.00 O ATOM 647 CB LYS A 44 12.876 14.495 -0.798 1.00 0.00 C ATOM 648 CG LYS A 44 13.995 14.407 0.225 1.00 0.00 C ATOM 649 CD LYS A 44 14.870 15.649 0.202 1.00 0.00 C ATOM 650 CE LYS A 44 16.122 15.464 1.046 1.00 0.00 C ATOM 651 NZ LYS A 44 17.090 16.579 0.854 1.00 0.00 N ATOM 0 H LYS A 44 11.792 13.952 1.405 1.00 0.00 H new ATOM 0 HA LYS A 44 11.018 13.574 -1.368 1.00 0.00 H new ATOM 0 HB2 LYS A 44 13.302 14.412 -1.798 1.00 0.00 H new ATOM 0 HB3 LYS A 44 12.410 15.478 -0.731 1.00 0.00 H new ATOM 0 HG2 LYS A 44 13.570 14.279 1.220 1.00 0.00 H new ATOM 0 HG3 LYS A 44 14.605 13.527 0.023 1.00 0.00 H new ATOM 0 HD2 LYS A 44 15.153 15.877 -0.826 1.00 0.00 H new ATOM 0 HD3 LYS A 44 14.302 16.502 0.573 1.00 0.00 H new ATOM 0 HE2 LYS A 44 15.845 15.401 2.098 1.00 0.00 H new ATOM 0 HE3 LYS A 44 16.600 14.520 0.785 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 17.929 16.416 1.446 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 17.375 16.623 -0.145 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 16.643 17.478 1.127 1.00 0.00 H new ATOM 665 N ASP A 45 12.994 11.484 0.217 1.00 0.00 N ATOM 666 CA ASP A 45 13.610 10.164 0.144 1.00 0.00 C ATOM 667 C ASP A 45 12.597 9.115 -0.303 1.00 0.00 C ATOM 668 O ASP A 45 12.923 8.209 -1.070 1.00 0.00 O ATOM 669 CB ASP A 45 14.198 9.777 1.502 1.00 0.00 C ATOM 670 CG ASP A 45 15.330 10.693 1.925 1.00 0.00 C ATOM 671 OD1 ASP A 45 16.006 11.251 1.036 1.00 0.00 O ATOM 672 OD2 ASP A 45 15.539 10.852 3.146 1.00 0.00 O ATOM 0 H ASP A 45 13.056 11.928 1.133 1.00 0.00 H new ATOM 0 HA ASP A 45 14.412 10.205 -0.593 1.00 0.00 H new ATOM 0 HB2 ASP A 45 13.412 9.804 2.256 1.00 0.00 H new ATOM 0 HB3 ASP A 45 14.562 8.751 1.458 1.00 0.00 H new ATOM 677 N VAL A 46 11.366 9.243 0.183 1.00 0.00 N ATOM 678 CA VAL A 46 10.305 8.307 -0.167 1.00 0.00 C ATOM 679 C VAL A 46 9.453 8.844 -1.312 1.00 0.00 C ATOM 680 O VAL A 46 9.436 10.046 -1.576 1.00 0.00 O ATOM 681 CB VAL A 46 9.396 8.012 1.041 1.00 0.00 C ATOM 682 CG1 VAL A 46 10.182 7.324 2.146 1.00 0.00 C ATOM 683 CG2 VAL A 46 8.756 9.295 1.550 1.00 0.00 C ATOM 0 H VAL A 46 11.079 9.986 0.820 1.00 0.00 H new ATOM 0 HA VAL A 46 10.790 7.383 -0.482 1.00 0.00 H new ATOM 0 HB VAL A 46 8.602 7.338 0.720 1.00 0.00 H new ATOM 0 HG11 VAL A 46 9.523 7.124 2.991 1.00 0.00 H new ATOM 0 HG12 VAL A 46 10.589 6.384 1.772 1.00 0.00 H new ATOM 0 HG13 VAL A 46 10.999 7.970 2.468 1.00 0.00 H new ATOM 0 HG21 VAL A 46 8.117 9.069 2.404 1.00 0.00 H new ATOM 0 HG22 VAL A 46 9.535 9.994 1.855 1.00 0.00 H new ATOM 0 HG23 VAL A 46 8.157 9.742 0.757 1.00 0.00 H new ATOM 693 N VAL A 47 8.747 7.944 -1.989 1.00 0.00 N ATOM 694 CA VAL A 47 7.890 8.327 -3.105 1.00 0.00 C ATOM 695 C VAL A 47 6.491 7.742 -2.950 1.00 0.00 C ATOM 696 O VAL A 47 6.251 6.582 -3.285 1.00 0.00 O ATOM 697 CB VAL A 47 8.482 7.866 -4.450 1.00 0.00 C ATOM 698 CG1 VAL A 47 7.567 8.262 -5.599 1.00 0.00 C ATOM 699 CG2 VAL A 47 9.876 8.442 -4.644 1.00 0.00 C ATOM 0 H VAL A 47 8.752 6.945 -1.784 1.00 0.00 H new ATOM 0 HA VAL A 47 7.828 9.415 -3.098 1.00 0.00 H new ATOM 0 HB VAL A 47 8.562 6.779 -4.439 1.00 0.00 H new ATOM 0 HG11 VAL A 47 8.001 7.928 -6.541 1.00 0.00 H new ATOM 0 HG12 VAL A 47 6.591 7.796 -5.464 1.00 0.00 H new ATOM 0 HG13 VAL A 47 7.452 9.346 -5.616 1.00 0.00 H new ATOM 0 HG21 VAL A 47 10.279 8.106 -5.599 1.00 0.00 H new ATOM 0 HG22 VAL A 47 9.824 9.531 -4.635 1.00 0.00 H new ATOM 0 HG23 VAL A 47 10.525 8.103 -3.837 1.00 0.00 H new ATOM 709 N VAL A 48 5.569 8.553 -2.440 1.00 0.00 N ATOM 710 CA VAL A 48 4.192 8.117 -2.242 1.00 0.00 C ATOM 711 C VAL A 48 3.233 8.910 -3.122 1.00 0.00 C ATOM 712 O VAL A 48 2.957 10.081 -2.860 1.00 0.00 O ATOM 713 CB VAL A 48 3.763 8.265 -0.770 1.00 0.00 C ATOM 714 CG1 VAL A 48 2.281 7.963 -0.613 1.00 0.00 C ATOM 715 CG2 VAL A 48 4.598 7.358 0.122 1.00 0.00 C ATOM 0 H VAL A 48 5.751 9.516 -2.157 1.00 0.00 H new ATOM 0 HA VAL A 48 4.150 7.064 -2.521 1.00 0.00 H new ATOM 0 HB VAL A 48 3.934 9.296 -0.462 1.00 0.00 H new ATOM 0 HG11 VAL A 48 1.996 8.073 0.433 1.00 0.00 H new ATOM 0 HG12 VAL A 48 1.702 8.657 -1.221 1.00 0.00 H new ATOM 0 HG13 VAL A 48 2.081 6.942 -0.938 1.00 0.00 H new ATOM 0 HG21 VAL A 48 4.281 7.475 1.158 1.00 0.00 H new ATOM 0 HG22 VAL A 48 4.461 6.321 -0.184 1.00 0.00 H new ATOM 0 HG23 VAL A 48 5.650 7.627 0.031 1.00 0.00 H new ATOM 725 N ASP A 49 2.726 8.264 -4.166 1.00 0.00 N ATOM 726 CA ASP A 49 1.795 8.908 -5.085 1.00 0.00 C ATOM 727 C ASP A 49 0.364 8.455 -4.815 1.00 0.00 C ATOM 728 O ASP A 49 0.044 7.272 -4.931 1.00 0.00 O ATOM 729 CB ASP A 49 2.177 8.596 -6.533 1.00 0.00 C ATOM 730 CG ASP A 49 1.267 9.284 -7.533 1.00 0.00 C ATOM 731 OD1 ASP A 49 0.223 8.697 -7.887 1.00 0.00 O ATOM 732 OD2 ASP A 49 1.599 10.409 -7.960 1.00 0.00 O ATOM 0 H ASP A 49 2.944 7.295 -4.397 1.00 0.00 H new ATOM 0 HA ASP A 49 1.852 9.985 -4.926 1.00 0.00 H new ATOM 0 HB2 ASP A 49 3.207 8.907 -6.709 1.00 0.00 H new ATOM 0 HB3 ASP A 49 2.138 7.518 -6.692 1.00 0.00 H new ATOM 737 N ILE A 50 -0.493 9.404 -4.452 1.00 0.00 N ATOM 738 CA ILE A 50 -1.890 9.103 -4.165 1.00 0.00 C ATOM 739 C ILE A 50 -2.808 9.679 -5.237 1.00 0.00 C ATOM 740 O ILE A 50 -2.729 10.862 -5.565 1.00 0.00 O ATOM 741 CB ILE A 50 -2.314 9.654 -2.791 1.00 0.00 C ATOM 742 CG1 ILE A 50 -1.384 9.128 -1.697 1.00 0.00 C ATOM 743 CG2 ILE A 50 -3.758 9.279 -2.493 1.00 0.00 C ATOM 744 CD1 ILE A 50 -1.500 9.881 -0.390 1.00 0.00 C ATOM 0 H ILE A 50 -0.244 10.388 -4.350 1.00 0.00 H new ATOM 0 HA ILE A 50 -1.983 8.017 -4.156 1.00 0.00 H new ATOM 0 HB ILE A 50 -2.239 10.741 -2.813 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -1.603 8.075 -1.521 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -0.354 9.185 -2.049 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -4.043 9.675 -1.519 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -4.409 9.699 -3.260 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -3.858 8.194 -2.487 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -0.812 9.453 0.339 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -1.252 10.930 -0.551 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -2.520 9.803 -0.015 1.00 0.00 H new ATOM 756 N GLN A 51 -3.680 8.834 -5.778 1.00 0.00 N ATOM 757 CA GLN A 51 -4.615 9.260 -6.813 1.00 0.00 C ATOM 758 C GLN A 51 -6.038 8.829 -6.473 1.00 0.00 C ATOM 759 O GLN A 51 -6.283 8.238 -5.421 1.00 0.00 O ATOM 760 CB GLN A 51 -4.205 8.683 -8.169 1.00 0.00 C ATOM 761 CG GLN A 51 -3.230 9.563 -8.934 1.00 0.00 C ATOM 762 CD GLN A 51 -3.722 10.989 -9.084 1.00 0.00 C ATOM 763 OE1 GLN A 51 -3.389 11.860 -8.281 1.00 0.00 O ATOM 764 NE2 GLN A 51 -4.521 11.234 -10.116 1.00 0.00 N ATOM 0 H GLN A 51 -3.759 7.851 -5.517 1.00 0.00 H new ATOM 0 HA GLN A 51 -4.588 10.348 -6.866 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -3.754 7.703 -8.016 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -5.098 8.532 -8.775 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -2.269 9.567 -8.419 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -3.060 9.136 -9.922 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -4.771 10.481 -10.757 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -4.884 12.175 -10.268 1.00 0.00 H new ATOM 773 N ARG A 52 -6.972 9.128 -7.369 1.00 0.00 N ATOM 774 CA ARG A 52 -8.371 8.772 -7.163 1.00 0.00 C ATOM 775 C ARG A 52 -8.519 7.276 -6.902 1.00 0.00 C ATOM 776 O ARG A 52 -8.942 6.863 -5.823 1.00 0.00 O ATOM 777 CB ARG A 52 -9.206 9.174 -8.379 1.00 0.00 C ATOM 778 CG ARG A 52 -10.689 9.323 -8.078 1.00 0.00 C ATOM 779 CD ARG A 52 -10.970 10.583 -7.275 1.00 0.00 C ATOM 780 NE ARG A 52 -12.305 11.113 -7.539 1.00 0.00 N ATOM 781 CZ ARG A 52 -12.710 12.314 -7.141 1.00 0.00 C ATOM 782 NH1 ARG A 52 -11.888 13.105 -6.465 1.00 0.00 N ATOM 783 NH2 ARG A 52 -13.940 12.727 -7.421 1.00 0.00 N ATOM 0 H ARG A 52 -6.786 9.616 -8.245 1.00 0.00 H new ATOM 0 HA ARG A 52 -8.732 9.313 -6.288 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -8.827 10.117 -8.773 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -9.076 8.426 -9.161 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -11.250 9.353 -9.012 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -11.038 8.452 -7.524 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -10.870 10.365 -6.212 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -10.225 11.341 -7.517 1.00 0.00 H new ATOM 0 HE ARG A 52 -12.962 10.529 -8.057 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -10.942 12.792 -6.249 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -12.202 14.027 -6.161 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -14.575 12.122 -7.942 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -14.250 13.649 -7.115 1.00 0.00 H new ATOM 797 N ARG A 53 -8.167 6.470 -7.898 1.00 0.00 N ATOM 798 CA ARG A 53 -8.262 5.020 -7.778 1.00 0.00 C ATOM 799 C ARG A 53 -6.901 4.366 -7.994 1.00 0.00 C ATOM 800 O ARG A 53 -6.813 3.230 -8.462 1.00 0.00 O ATOM 801 CB ARG A 53 -9.271 4.468 -8.787 1.00 0.00 C ATOM 802 CG ARG A 53 -9.776 3.076 -8.444 1.00 0.00 C ATOM 803 CD ARG A 53 -11.092 2.773 -9.143 1.00 0.00 C ATOM 804 NE ARG A 53 -12.243 3.163 -8.333 1.00 0.00 N ATOM 805 CZ ARG A 53 -13.502 2.921 -8.682 1.00 0.00 C ATOM 806 NH1 ARG A 53 -13.770 2.294 -9.819 1.00 0.00 N ATOM 807 NH2 ARG A 53 -14.496 3.306 -7.892 1.00 0.00 N ATOM 0 H ARG A 53 -7.813 6.796 -8.797 1.00 0.00 H new ATOM 0 HA ARG A 53 -8.602 4.786 -6.769 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -10.120 5.149 -8.848 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -8.809 4.445 -9.774 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -9.030 2.336 -8.733 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -9.908 2.991 -7.365 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -11.125 3.299 -10.097 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -11.148 1.707 -9.364 1.00 0.00 H new ATOM 0 HE ARG A 53 -12.071 3.647 -7.452 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -13.009 1.996 -10.429 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -14.738 2.110 -10.084 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -14.294 3.788 -7.016 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -15.462 3.120 -8.161 1.00 0.00 H new ATOM 821 N HIS A 54 -5.841 5.090 -7.650 1.00 0.00 N ATOM 822 CA HIS A 54 -4.483 4.581 -7.806 1.00 0.00 C ATOM 823 C HIS A 54 -3.577 5.097 -6.692 1.00 0.00 C ATOM 824 O HIS A 54 -3.604 6.281 -6.354 1.00 0.00 O ATOM 825 CB HIS A 54 -3.917 4.985 -9.167 1.00 0.00 C ATOM 826 CG HIS A 54 -2.764 4.139 -9.613 1.00 0.00 C ATOM 827 ND1 HIS A 54 -1.662 4.651 -10.263 1.00 0.00 N ATOM 828 CD2 HIS A 54 -2.546 2.808 -9.496 1.00 0.00 C ATOM 829 CE1 HIS A 54 -0.816 3.671 -10.529 1.00 0.00 C ATOM 830 NE2 HIS A 54 -1.329 2.543 -10.073 1.00 0.00 N ATOM 0 H HIS A 54 -5.896 6.031 -7.261 1.00 0.00 H new ATOM 0 HA HIS A 54 -4.521 3.493 -7.745 1.00 0.00 H new ATOM 0 HB2 HIS A 54 -4.710 4.926 -9.913 1.00 0.00 H new ATOM 0 HB3 HIS A 54 -3.597 6.026 -9.123 1.00 0.00 H new ATOM 0 HD2 HIS A 54 -3.206 2.089 -9.035 1.00 0.00 H new ATOM 0 HE1 HIS A 54 0.133 3.775 -11.033 1.00 0.00 H new ATOM 0 HE2 HIS A 54 -0.892 1.624 -10.139 1.00 0.00 H new ATOM 839 N LEU A 55 -2.777 4.201 -6.124 1.00 0.00 N ATOM 840 CA LEU A 55 -1.864 4.566 -5.046 1.00 0.00 C ATOM 841 C LEU A 55 -0.503 3.903 -5.238 1.00 0.00 C ATOM 842 O LEU A 55 -0.418 2.751 -5.665 1.00 0.00 O ATOM 843 CB LEU A 55 -2.453 4.165 -3.693 1.00 0.00 C ATOM 844 CG LEU A 55 -1.473 4.119 -2.521 1.00 0.00 C ATOM 845 CD1 LEU A 55 -0.944 5.512 -2.212 1.00 0.00 C ATOM 846 CD2 LEU A 55 -2.137 3.515 -1.293 1.00 0.00 C ATOM 0 H LEU A 55 -2.742 3.217 -6.392 1.00 0.00 H new ATOM 0 HA LEU A 55 -1.728 5.647 -5.069 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -3.252 4.864 -3.445 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -2.911 3.181 -3.796 1.00 0.00 H new ATOM 0 HG LEU A 55 -0.631 3.486 -2.802 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -0.248 5.459 -1.375 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -0.430 5.908 -3.087 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -1.775 6.167 -1.952 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -1.424 3.490 -0.469 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -2.998 4.121 -1.010 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -2.465 2.501 -1.519 1.00 0.00 H new ATOM 858 N ARG A 56 0.557 4.636 -4.918 1.00 0.00 N ATOM 859 CA ARG A 56 1.914 4.119 -5.054 1.00 0.00 C ATOM 860 C ARG A 56 2.778 4.539 -3.869 1.00 0.00 C ATOM 861 O ARG A 56 2.684 5.669 -3.389 1.00 0.00 O ATOM 862 CB ARG A 56 2.542 4.613 -6.358 1.00 0.00 C ATOM 863 CG ARG A 56 3.794 3.849 -6.759 1.00 0.00 C ATOM 864 CD ARG A 56 4.733 4.714 -7.586 1.00 0.00 C ATOM 865 NE ARG A 56 5.519 3.921 -8.528 1.00 0.00 N ATOM 866 CZ ARG A 56 5.003 3.331 -9.601 1.00 0.00 C ATOM 867 NH1 ARG A 56 3.709 3.444 -9.866 1.00 0.00 N ATOM 868 NH2 ARG A 56 5.783 2.627 -10.411 1.00 0.00 N ATOM 0 H ARG A 56 0.503 5.591 -4.562 1.00 0.00 H new ATOM 0 HA ARG A 56 1.861 3.030 -5.074 1.00 0.00 H new ATOM 0 HB2 ARG A 56 1.806 4.534 -7.158 1.00 0.00 H new ATOM 0 HB3 ARG A 56 2.789 5.670 -6.255 1.00 0.00 H new ATOM 0 HG2 ARG A 56 4.311 3.501 -5.865 1.00 0.00 H new ATOM 0 HG3 ARG A 56 3.514 2.964 -7.331 1.00 0.00 H new ATOM 0 HD2 ARG A 56 4.154 5.458 -8.133 1.00 0.00 H new ATOM 0 HD3 ARG A 56 5.404 5.258 -6.922 1.00 0.00 H new ATOM 0 HE ARG A 56 6.518 3.814 -8.353 1.00 0.00 H new ATOM 0 HH11 ARG A 56 3.107 3.985 -9.246 1.00 0.00 H new ATOM 0 HH12 ARG A 56 3.316 2.990 -10.690 1.00 0.00 H new ATOM 0 HH21 ARG A 56 6.779 2.538 -10.210 1.00 0.00 H new ATOM 0 HH22 ARG A 56 5.387 2.174 -11.235 1.00 0.00 H new ATOM 882 N VAL A 57 3.618 3.622 -3.401 1.00 0.00 N ATOM 883 CA VAL A 57 4.499 3.898 -2.272 1.00 0.00 C ATOM 884 C VAL A 57 5.834 3.177 -2.428 1.00 0.00 C ATOM 885 O VAL A 57 5.888 2.047 -2.910 1.00 0.00 O ATOM 886 CB VAL A 57 3.853 3.475 -0.940 1.00 0.00 C ATOM 887 CG1 VAL A 57 4.841 3.633 0.207 1.00 0.00 C ATOM 888 CG2 VAL A 57 2.590 4.283 -0.681 1.00 0.00 C ATOM 0 H VAL A 57 3.707 2.682 -3.786 1.00 0.00 H new ATOM 0 HA VAL A 57 4.670 4.974 -2.259 1.00 0.00 H new ATOM 0 HB VAL A 57 3.577 2.423 -1.008 1.00 0.00 H new ATOM 0 HG11 VAL A 57 4.367 3.329 1.140 1.00 0.00 H new ATOM 0 HG12 VAL A 57 5.715 3.007 0.024 1.00 0.00 H new ATOM 0 HG13 VAL A 57 5.150 4.676 0.280 1.00 0.00 H new ATOM 0 HG21 VAL A 57 2.146 3.971 0.264 1.00 0.00 H new ATOM 0 HG22 VAL A 57 2.840 5.343 -0.633 1.00 0.00 H new ATOM 0 HG23 VAL A 57 1.878 4.114 -1.489 1.00 0.00 H new ATOM 898 N GLY A 58 6.910 3.840 -2.016 1.00 0.00 N ATOM 899 CA GLY A 58 8.231 3.248 -2.118 1.00 0.00 C ATOM 900 C GLY A 58 9.333 4.221 -1.749 1.00 0.00 C ATOM 901 O GLY A 58 9.122 5.137 -0.954 1.00 0.00 O ATOM 0 H GLY A 58 6.890 4.777 -1.613 1.00 0.00 H new ATOM 0 HA2 GLY A 58 8.287 2.377 -1.465 1.00 0.00 H new ATOM 0 HA3 GLY A 58 8.389 2.894 -3.137 1.00 0.00 H new ATOM 905 N LEU A 59 10.513 4.021 -2.326 1.00 0.00 N ATOM 906 CA LEU A 59 11.654 4.888 -2.052 1.00 0.00 C ATOM 907 C LEU A 59 12.314 5.345 -3.349 1.00 0.00 C ATOM 908 O LEU A 59 12.445 4.572 -4.298 1.00 0.00 O ATOM 909 CB LEU A 59 12.675 4.159 -1.177 1.00 0.00 C ATOM 910 CG LEU A 59 12.111 3.417 0.035 1.00 0.00 C ATOM 911 CD1 LEU A 59 12.973 2.210 0.371 1.00 0.00 C ATOM 912 CD2 LEU A 59 12.009 4.351 1.232 1.00 0.00 C ATOM 0 H LEU A 59 10.705 3.267 -2.986 1.00 0.00 H new ATOM 0 HA LEU A 59 11.291 5.768 -1.520 1.00 0.00 H new ATOM 0 HB2 LEU A 59 13.211 3.443 -1.799 1.00 0.00 H new ATOM 0 HB3 LEU A 59 13.407 4.886 -0.825 1.00 0.00 H new ATOM 0 HG LEU A 59 11.110 3.065 -0.213 1.00 0.00 H new ATOM 0 HD11 LEU A 59 12.556 1.695 1.236 1.00 0.00 H new ATOM 0 HD12 LEU A 59 12.995 1.530 -0.481 1.00 0.00 H new ATOM 0 HD13 LEU A 59 13.987 2.539 0.599 1.00 0.00 H new ATOM 0 HD21 LEU A 59 11.606 3.806 2.085 1.00 0.00 H new ATOM 0 HD22 LEU A 59 12.999 4.733 1.481 1.00 0.00 H new ATOM 0 HD23 LEU A 59 11.349 5.184 0.989 1.00 0.00 H new ATOM 924 N LYS A 60 12.730 6.607 -3.382 1.00 0.00 N ATOM 925 CA LYS A 60 13.381 7.168 -4.561 1.00 0.00 C ATOM 926 C LYS A 60 14.414 6.198 -5.125 1.00 0.00 C ATOM 927 O LYS A 60 15.246 5.665 -4.391 1.00 0.00 O ATOM 928 CB LYS A 60 14.051 8.499 -4.214 1.00 0.00 C ATOM 929 CG LYS A 60 14.112 9.471 -5.379 1.00 0.00 C ATOM 930 CD LYS A 60 12.830 10.279 -5.499 1.00 0.00 C ATOM 931 CE LYS A 60 13.056 11.571 -6.268 1.00 0.00 C ATOM 932 NZ LYS A 60 12.947 11.368 -7.739 1.00 0.00 N ATOM 0 H LYS A 60 12.628 7.261 -2.606 1.00 0.00 H new ATOM 0 HA LYS A 60 12.618 7.340 -5.320 1.00 0.00 H new ATOM 0 HB2 LYS A 60 13.509 8.965 -3.391 1.00 0.00 H new ATOM 0 HB3 LYS A 60 15.064 8.305 -3.860 1.00 0.00 H new ATOM 0 HG2 LYS A 60 14.958 10.146 -5.247 1.00 0.00 H new ATOM 0 HG3 LYS A 60 14.285 8.921 -6.304 1.00 0.00 H new ATOM 0 HD2 LYS A 60 12.069 9.683 -6.002 1.00 0.00 H new ATOM 0 HD3 LYS A 60 12.449 10.508 -4.504 1.00 0.00 H new ATOM 0 HE2 LYS A 60 12.326 12.316 -5.949 1.00 0.00 H new ATOM 0 HE3 LYS A 60 14.042 11.968 -6.028 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 13.107 12.272 -8.227 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 13.660 10.677 -8.048 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 11.997 11.013 -7.971 1.00 0.00 H new ATOM 946 N GLY A 61 14.356 5.975 -6.435 1.00 0.00 N ATOM 947 CA GLY A 61 15.294 5.071 -7.075 1.00 0.00 C ATOM 948 C GLY A 61 14.892 3.617 -6.925 1.00 0.00 C ATOM 949 O GLY A 61 14.783 2.892 -7.913 1.00 0.00 O ATOM 0 H GLY A 61 13.677 6.404 -7.064 1.00 0.00 H new ATOM 0 HA2 GLY A 61 15.366 5.317 -8.134 1.00 0.00 H new ATOM 0 HA3 GLY A 61 16.285 5.217 -6.646 1.00 0.00 H new ATOM 953 N GLN A 62 14.674 3.190 -5.685 1.00 0.00 N ATOM 954 CA GLN A 62 14.284 1.812 -5.410 1.00 0.00 C ATOM 955 C GLN A 62 12.894 1.518 -5.964 1.00 0.00 C ATOM 956 O GLN A 62 12.120 2.423 -6.277 1.00 0.00 O ATOM 957 CB GLN A 62 14.313 1.543 -3.904 1.00 0.00 C ATOM 958 CG GLN A 62 15.630 0.963 -3.415 1.00 0.00 C ATOM 959 CD GLN A 62 16.061 -0.255 -4.208 1.00 0.00 C ATOM 960 OE1 GLN A 62 16.662 -0.135 -5.276 1.00 0.00 O ATOM 961 NE2 GLN A 62 15.757 -1.439 -3.688 1.00 0.00 N ATOM 0 H GLN A 62 14.761 3.778 -4.856 1.00 0.00 H new ATOM 0 HA GLN A 62 14.998 1.153 -5.904 1.00 0.00 H new ATOM 0 HB2 GLN A 62 14.116 2.474 -3.373 1.00 0.00 H new ATOM 0 HB3 GLN A 62 13.506 0.855 -3.651 1.00 0.00 H new ATOM 0 HG2 GLN A 62 16.405 1.727 -3.479 1.00 0.00 H new ATOM 0 HG3 GLN A 62 15.535 0.692 -2.363 1.00 0.00 H new ATOM 0 HE21 GLN A 62 15.258 -1.493 -2.800 1.00 0.00 H new ATOM 0 HE22 GLN A 62 16.023 -2.294 -4.177 1.00 0.00 H new ATOM 970 N PRO A 63 12.569 0.223 -6.090 1.00 0.00 N ATOM 971 CA PRO A 63 11.271 -0.220 -6.607 1.00 0.00 C ATOM 972 C PRO A 63 10.130 0.074 -5.639 1.00 0.00 C ATOM 973 O PRO A 63 10.282 -0.007 -4.420 1.00 0.00 O ATOM 974 CB PRO A 63 11.453 -1.731 -6.775 1.00 0.00 C ATOM 975 CG PRO A 63 12.521 -2.094 -5.802 1.00 0.00 C ATOM 976 CD PRO A 63 13.443 -0.908 -5.736 1.00 0.00 C ATOM 0 HA PRO A 63 11.002 0.296 -7.529 1.00 0.00 H new ATOM 0 HB2 PRO A 63 10.527 -2.267 -6.565 1.00 0.00 H new ATOM 0 HB3 PRO A 63 11.744 -1.984 -7.795 1.00 0.00 H new ATOM 0 HG2 PRO A 63 12.097 -2.314 -4.822 1.00 0.00 H new ATOM 0 HG3 PRO A 63 13.056 -2.987 -6.125 1.00 0.00 H new ATOM 0 HD2 PRO A 63 13.873 -0.788 -4.742 1.00 0.00 H new ATOM 0 HD3 PRO A 63 14.275 -1.006 -6.433 1.00 0.00 H new ATOM 984 N PRO A 64 8.959 0.423 -6.192 1.00 0.00 N ATOM 985 CA PRO A 64 7.769 0.735 -5.394 1.00 0.00 C ATOM 986 C PRO A 64 7.190 -0.498 -4.710 1.00 0.00 C ATOM 987 O PRO A 64 6.762 -1.444 -5.371 1.00 0.00 O ATOM 988 CB PRO A 64 6.783 1.285 -6.428 1.00 0.00 C ATOM 989 CG PRO A 64 7.211 0.677 -7.720 1.00 0.00 C ATOM 990 CD PRO A 64 8.706 0.539 -7.638 1.00 0.00 C ATOM 0 HA PRO A 64 7.992 1.430 -4.585 1.00 0.00 H new ATOM 0 HB2 PRO A 64 5.757 1.011 -6.182 1.00 0.00 H new ATOM 0 HB3 PRO A 64 6.820 2.374 -6.471 1.00 0.00 H new ATOM 0 HG2 PRO A 64 6.737 -0.293 -7.871 1.00 0.00 H new ATOM 0 HG3 PRO A 64 6.923 1.307 -8.562 1.00 0.00 H new ATOM 0 HD2 PRO A 64 9.059 -0.339 -8.179 1.00 0.00 H new ATOM 0 HD3 PRO A 64 9.213 1.403 -8.067 1.00 0.00 H new ATOM 998 N VAL A 65 7.179 -0.481 -3.381 1.00 0.00 N ATOM 999 CA VAL A 65 6.651 -1.598 -2.606 1.00 0.00 C ATOM 1000 C VAL A 65 5.179 -1.838 -2.921 1.00 0.00 C ATOM 1001 O VAL A 65 4.733 -2.981 -3.025 1.00 0.00 O ATOM 1002 CB VAL A 65 6.808 -1.356 -1.093 1.00 0.00 C ATOM 1003 CG1 VAL A 65 6.334 -2.569 -0.306 1.00 0.00 C ATOM 1004 CG2 VAL A 65 8.253 -1.021 -0.755 1.00 0.00 C ATOM 0 H VAL A 65 7.530 0.294 -2.818 1.00 0.00 H new ATOM 0 HA VAL A 65 7.228 -2.479 -2.887 1.00 0.00 H new ATOM 0 HB VAL A 65 6.187 -0.506 -0.812 1.00 0.00 H new ATOM 0 HG11 VAL A 65 6.453 -2.380 0.761 1.00 0.00 H new ATOM 0 HG12 VAL A 65 5.283 -2.758 -0.526 1.00 0.00 H new ATOM 0 HG13 VAL A 65 6.926 -3.440 -0.588 1.00 0.00 H new ATOM 0 HG21 VAL A 65 8.346 -0.853 0.318 1.00 0.00 H new ATOM 0 HG22 VAL A 65 8.897 -1.849 -1.050 1.00 0.00 H new ATOM 0 HG23 VAL A 65 8.553 -0.120 -1.291 1.00 0.00 H new ATOM 1014 N VAL A 66 4.427 -0.752 -3.073 1.00 0.00 N ATOM 1015 CA VAL A 66 3.005 -0.843 -3.379 1.00 0.00 C ATOM 1016 C VAL A 66 2.680 -0.154 -4.699 1.00 0.00 C ATOM 1017 O VAL A 66 2.798 1.066 -4.820 1.00 0.00 O ATOM 1018 CB VAL A 66 2.149 -0.216 -2.261 1.00 0.00 C ATOM 1019 CG1 VAL A 66 0.674 -0.260 -2.630 1.00 0.00 C ATOM 1020 CG2 VAL A 66 2.399 -0.925 -0.939 1.00 0.00 C ATOM 0 H VAL A 66 4.780 0.201 -2.989 1.00 0.00 H new ATOM 0 HA VAL A 66 2.767 -1.904 -3.459 1.00 0.00 H new ATOM 0 HB VAL A 66 2.439 0.829 -2.147 1.00 0.00 H new ATOM 0 HG11 VAL A 66 0.085 0.187 -1.829 1.00 0.00 H new ATOM 0 HG12 VAL A 66 0.513 0.297 -3.553 1.00 0.00 H new ATOM 0 HG13 VAL A 66 0.365 -1.296 -2.773 1.00 0.00 H new ATOM 0 HG21 VAL A 66 1.787 -0.470 -0.161 1.00 0.00 H new ATOM 0 HG22 VAL A 66 2.138 -1.979 -1.036 1.00 0.00 H new ATOM 0 HG23 VAL A 66 3.452 -0.835 -0.671 1.00 0.00 H new ATOM 1030 N ASP A 67 2.271 -0.942 -5.687 1.00 0.00 N ATOM 1031 CA ASP A 67 1.928 -0.408 -7.000 1.00 0.00 C ATOM 1032 C ASP A 67 0.769 -1.184 -7.616 1.00 0.00 C ATOM 1033 O ASP A 67 0.939 -2.313 -8.075 1.00 0.00 O ATOM 1034 CB ASP A 67 3.143 -0.459 -7.928 1.00 0.00 C ATOM 1035 CG ASP A 67 3.814 -1.818 -7.929 1.00 0.00 C ATOM 1036 OD1 ASP A 67 4.146 -2.317 -6.833 1.00 0.00 O ATOM 1037 OD2 ASP A 67 4.008 -2.382 -9.026 1.00 0.00 O ATOM 0 H ASP A 67 2.169 -1.953 -5.604 1.00 0.00 H new ATOM 0 HA ASP A 67 1.620 0.630 -6.874 1.00 0.00 H new ATOM 0 HB2 ASP A 67 2.832 -0.210 -8.943 1.00 0.00 H new ATOM 0 HB3 ASP A 67 3.864 0.299 -7.620 1.00 0.00 H new ATOM 1042 N GLY A 68 -0.411 -0.571 -7.622 1.00 0.00 N ATOM 1043 CA GLY A 68 -1.582 -1.220 -8.183 1.00 0.00 C ATOM 1044 C GLY A 68 -2.845 -0.406 -7.988 1.00 0.00 C ATOM 1045 O GLY A 68 -2.882 0.505 -7.162 1.00 0.00 O ATOM 0 H GLY A 68 -0.577 0.363 -7.248 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -1.424 -1.390 -9.248 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -1.709 -2.198 -7.719 1.00 0.00 H new ATOM 1049 N GLU A 69 -3.883 -0.734 -8.752 1.00 0.00 N ATOM 1050 CA GLU A 69 -5.153 -0.024 -8.660 1.00 0.00 C ATOM 1051 C GLU A 69 -5.801 -0.242 -7.296 1.00 0.00 C ATOM 1052 O GLU A 69 -5.708 -1.326 -6.718 1.00 0.00 O ATOM 1053 CB GLU A 69 -6.102 -0.485 -9.768 1.00 0.00 C ATOM 1054 CG GLU A 69 -7.109 0.573 -10.187 1.00 0.00 C ATOM 1055 CD GLU A 69 -6.583 1.477 -11.283 1.00 0.00 C ATOM 1056 OE1 GLU A 69 -5.619 1.079 -11.971 1.00 0.00 O ATOM 1057 OE2 GLU A 69 -7.135 2.585 -11.454 1.00 0.00 O ATOM 0 H GLU A 69 -3.869 -1.486 -9.441 1.00 0.00 H new ATOM 0 HA GLU A 69 -4.954 1.041 -8.782 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -5.515 -0.780 -10.638 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -6.639 -1.371 -9.430 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -8.021 0.085 -10.530 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -7.377 1.177 -9.320 1.00 0.00 H new ATOM 1064 N LEU A 70 -6.457 0.794 -6.787 1.00 0.00 N ATOM 1065 CA LEU A 70 -7.121 0.717 -5.490 1.00 0.00 C ATOM 1066 C LEU A 70 -8.465 0.005 -5.608 1.00 0.00 C ATOM 1067 O LEU A 70 -9.147 0.108 -6.628 1.00 0.00 O ATOM 1068 CB LEU A 70 -7.323 2.120 -4.914 1.00 0.00 C ATOM 1069 CG LEU A 70 -6.064 2.829 -4.416 1.00 0.00 C ATOM 1070 CD1 LEU A 70 -6.280 4.333 -4.371 1.00 0.00 C ATOM 1071 CD2 LEU A 70 -5.663 2.304 -3.045 1.00 0.00 C ATOM 0 H LEU A 70 -6.544 1.698 -7.252 1.00 0.00 H new ATOM 0 HA LEU A 70 -6.484 0.143 -4.817 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -7.787 2.742 -5.680 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -8.029 2.053 -4.086 1.00 0.00 H new ATOM 0 HG LEU A 70 -5.253 2.621 -5.114 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -5.373 4.820 -4.014 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -6.518 4.696 -5.371 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -7.105 4.562 -3.696 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -4.765 2.820 -2.706 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -6.472 2.481 -2.337 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -5.464 1.234 -3.109 1.00 0.00 H new ATOM 1083 N TYR A 71 -8.841 -0.715 -4.557 1.00 0.00 N ATOM 1084 CA TYR A 71 -10.104 -1.445 -4.543 1.00 0.00 C ATOM 1085 C TYR A 71 -11.261 -0.539 -4.952 1.00 0.00 C ATOM 1086 O TYR A 71 -12.147 -0.946 -5.701 1.00 0.00 O ATOM 1087 CB TYR A 71 -10.364 -2.028 -3.153 1.00 0.00 C ATOM 1088 CG TYR A 71 -11.805 -2.426 -2.923 1.00 0.00 C ATOM 1089 CD1 TYR A 71 -12.279 -3.664 -3.340 1.00 0.00 C ATOM 1090 CD2 TYR A 71 -12.691 -1.564 -2.289 1.00 0.00 C ATOM 1091 CE1 TYR A 71 -13.594 -4.031 -3.133 1.00 0.00 C ATOM 1092 CE2 TYR A 71 -14.008 -1.924 -2.077 1.00 0.00 C ATOM 1093 CZ TYR A 71 -14.455 -3.158 -2.501 1.00 0.00 C ATOM 1094 OH TYR A 71 -15.766 -3.521 -2.292 1.00 0.00 O ATOM 0 H TYR A 71 -8.290 -0.809 -3.704 1.00 0.00 H new ATOM 0 HA TYR A 71 -10.032 -2.260 -5.264 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -9.727 -2.901 -3.009 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -10.074 -1.295 -2.401 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -11.608 -4.351 -3.834 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -12.345 -0.597 -1.956 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -13.947 -4.997 -3.464 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -14.684 -1.243 -1.582 1.00 0.00 H new ATOM 0 HH TYR A 71 -16.014 -3.330 -1.363 1.00 0.00 H new ATOM 1104 N ASN A 72 -11.244 0.693 -4.452 1.00 0.00 N ATOM 1105 CA ASN A 72 -12.292 1.658 -4.765 1.00 0.00 C ATOM 1106 C ASN A 72 -11.733 3.078 -4.792 1.00 0.00 C ATOM 1107 O ASN A 72 -10.565 3.301 -4.474 1.00 0.00 O ATOM 1108 CB ASN A 72 -13.424 1.563 -3.740 1.00 0.00 C ATOM 1109 CG ASN A 72 -14.766 1.961 -4.323 1.00 0.00 C ATOM 1110 OD1 ASN A 72 -15.462 1.142 -4.923 1.00 0.00 O ATOM 1111 ND2 ASN A 72 -15.136 3.224 -4.149 1.00 0.00 N ATOM 0 H ASN A 72 -10.517 1.046 -3.829 1.00 0.00 H new ATOM 0 HA ASN A 72 -12.685 1.422 -5.754 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -13.483 0.542 -3.362 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -13.195 2.205 -2.890 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -16.029 3.549 -4.519 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -14.527 3.869 -3.645 1.00 0.00 H new ATOM 1118 N GLU A 73 -12.576 4.033 -5.172 1.00 0.00 N ATOM 1119 CA GLU A 73 -12.165 5.430 -5.240 1.00 0.00 C ATOM 1120 C GLU A 73 -11.883 5.983 -3.846 1.00 0.00 C ATOM 1121 O GLU A 73 -12.572 5.649 -2.882 1.00 0.00 O ATOM 1122 CB GLU A 73 -13.246 6.270 -5.924 1.00 0.00 C ATOM 1123 CG GLU A 73 -13.135 6.288 -7.440 1.00 0.00 C ATOM 1124 CD GLU A 73 -13.647 7.580 -8.047 1.00 0.00 C ATOM 1125 OE1 GLU A 73 -14.161 8.428 -7.288 1.00 0.00 O ATOM 1126 OE2 GLU A 73 -13.534 7.742 -9.280 1.00 0.00 O ATOM 0 H GLU A 73 -13.546 3.865 -5.437 1.00 0.00 H new ATOM 0 HA GLU A 73 -11.248 5.484 -5.826 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -14.226 5.883 -5.644 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -13.189 7.293 -5.552 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -12.093 6.144 -7.726 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -13.697 5.450 -7.852 1.00 0.00 H new ATOM 1133 N VAL A 74 -10.863 6.830 -3.747 1.00 0.00 N ATOM 1134 CA VAL A 74 -10.489 7.430 -2.472 1.00 0.00 C ATOM 1135 C VAL A 74 -10.217 8.922 -2.626 1.00 0.00 C ATOM 1136 O VAL A 74 -9.345 9.330 -3.394 1.00 0.00 O ATOM 1137 CB VAL A 74 -9.241 6.751 -1.877 1.00 0.00 C ATOM 1138 CG1 VAL A 74 -9.481 5.260 -1.695 1.00 0.00 C ATOM 1139 CG2 VAL A 74 -8.027 7.000 -2.759 1.00 0.00 C ATOM 0 H VAL A 74 -10.281 7.116 -4.535 1.00 0.00 H new ATOM 0 HA VAL A 74 -11.331 7.285 -1.795 1.00 0.00 H new ATOM 0 HB VAL A 74 -9.044 7.186 -0.897 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -8.589 4.797 -1.274 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -10.323 5.107 -1.020 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -9.704 4.807 -2.661 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -7.155 6.513 -2.323 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -8.210 6.594 -3.754 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -7.845 8.072 -2.833 1.00 0.00 H new ATOM 1149 N LYS A 75 -10.968 9.734 -1.890 1.00 0.00 N ATOM 1150 CA LYS A 75 -10.809 11.182 -1.941 1.00 0.00 C ATOM 1151 C LYS A 75 -9.333 11.568 -1.921 1.00 0.00 C ATOM 1152 O LYS A 75 -8.741 11.740 -0.855 1.00 0.00 O ATOM 1153 CB LYS A 75 -11.535 11.838 -0.765 1.00 0.00 C ATOM 1154 CG LYS A 75 -12.055 13.232 -1.072 1.00 0.00 C ATOM 1155 CD LYS A 75 -13.198 13.617 -0.148 1.00 0.00 C ATOM 1156 CE LYS A 75 -13.875 14.901 -0.603 1.00 0.00 C ATOM 1157 NZ LYS A 75 -14.995 14.632 -1.546 1.00 0.00 N ATOM 0 H LYS A 75 -11.694 9.413 -1.250 1.00 0.00 H new ATOM 0 HA LYS A 75 -11.247 11.538 -2.874 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -12.371 11.205 -0.466 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -10.856 11.892 0.086 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -11.245 13.954 -0.970 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -12.393 13.275 -2.107 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -13.930 12.810 -0.117 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -12.820 13.744 0.867 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -14.253 15.440 0.266 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -13.142 15.547 -1.085 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -15.431 15.532 -1.833 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -14.630 14.140 -2.387 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -15.707 14.036 -1.078 1.00 0.00 H new ATOM 1171 N VAL A 76 -8.745 11.704 -3.105 1.00 0.00 N ATOM 1172 CA VAL A 76 -7.339 12.072 -3.223 1.00 0.00 C ATOM 1173 C VAL A 76 -7.101 13.496 -2.733 1.00 0.00 C ATOM 1174 O VAL A 76 -6.128 13.766 -2.030 1.00 0.00 O ATOM 1175 CB VAL A 76 -6.847 11.951 -4.677 1.00 0.00 C ATOM 1176 CG1 VAL A 76 -7.729 12.769 -5.609 1.00 0.00 C ATOM 1177 CG2 VAL A 76 -5.394 12.388 -4.786 1.00 0.00 C ATOM 0 H VAL A 76 -9.221 11.565 -3.997 1.00 0.00 H new ATOM 0 HA VAL A 76 -6.776 11.378 -2.599 1.00 0.00 H new ATOM 0 HB VAL A 76 -6.912 10.905 -4.978 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -7.366 12.671 -6.632 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -8.755 12.405 -5.552 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -7.699 13.817 -5.312 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -5.063 12.296 -5.820 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -5.301 13.426 -4.466 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -4.775 11.756 -4.149 1.00 0.00 H new ATOM 1187 N GLU A 77 -7.997 14.403 -3.110 1.00 0.00 N ATOM 1188 CA GLU A 77 -7.883 15.800 -2.709 1.00 0.00 C ATOM 1189 C GLU A 77 -7.775 15.924 -1.192 1.00 0.00 C ATOM 1190 O GLU A 77 -7.406 16.975 -0.670 1.00 0.00 O ATOM 1191 CB GLU A 77 -9.088 16.598 -3.213 1.00 0.00 C ATOM 1192 CG GLU A 77 -9.448 16.308 -4.660 1.00 0.00 C ATOM 1193 CD GLU A 77 -10.080 17.499 -5.354 1.00 0.00 C ATOM 1194 OE1 GLU A 77 -11.312 17.668 -5.238 1.00 0.00 O ATOM 1195 OE2 GLU A 77 -9.342 18.262 -6.012 1.00 0.00 O ATOM 0 H GLU A 77 -8.809 14.195 -3.692 1.00 0.00 H new ATOM 0 HA GLU A 77 -6.975 16.206 -3.154 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -9.949 16.377 -2.582 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -8.879 17.662 -3.106 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -8.550 16.011 -5.201 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -10.136 15.463 -4.697 1.00 0.00 H new ATOM 1202 N GLU A 78 -8.102 14.842 -0.491 1.00 0.00 N ATOM 1203 CA GLU A 78 -8.043 14.830 0.966 1.00 0.00 C ATOM 1204 C GLU A 78 -6.969 13.865 1.459 1.00 0.00 C ATOM 1205 O GLU A 78 -6.289 14.131 2.450 1.00 0.00 O ATOM 1206 CB GLU A 78 -9.403 14.440 1.550 1.00 0.00 C ATOM 1207 CG GLU A 78 -10.413 15.574 1.552 1.00 0.00 C ATOM 1208 CD GLU A 78 -11.407 15.469 2.692 1.00 0.00 C ATOM 1209 OE1 GLU A 78 -11.006 15.029 3.790 1.00 0.00 O ATOM 1210 OE2 GLU A 78 -12.585 15.827 2.486 1.00 0.00 O ATOM 0 H GLU A 78 -8.410 13.964 -0.908 1.00 0.00 H new ATOM 0 HA GLU A 78 -7.786 15.834 1.302 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -9.808 13.605 0.978 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -9.263 14.088 2.572 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -9.885 16.525 1.622 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -10.952 15.577 0.604 1.00 0.00 H new ATOM 1217 N SER A 79 -6.823 12.744 0.760 1.00 0.00 N ATOM 1218 CA SER A 79 -5.835 11.737 1.129 1.00 0.00 C ATOM 1219 C SER A 79 -4.492 12.385 1.450 1.00 0.00 C ATOM 1220 O SER A 79 -4.182 13.472 0.962 1.00 0.00 O ATOM 1221 CB SER A 79 -5.666 10.720 -0.002 1.00 0.00 C ATOM 1222 OG SER A 79 -6.716 9.768 0.007 1.00 0.00 O ATOM 0 H SER A 79 -7.376 12.510 -0.065 1.00 0.00 H new ATOM 0 HA SER A 79 -6.193 11.223 2.021 1.00 0.00 H new ATOM 0 HB2 SER A 79 -5.648 11.238 -0.961 1.00 0.00 H new ATOM 0 HB3 SER A 79 -4.708 10.211 0.103 1.00 0.00 H new ATOM 0 HG SER A 79 -7.550 10.198 -0.275 1.00 0.00 H new ATOM 1228 N SER A 80 -3.699 11.710 2.275 1.00 0.00 N ATOM 1229 CA SER A 80 -2.390 12.220 2.666 1.00 0.00 C ATOM 1230 C SER A 80 -1.587 11.151 3.400 1.00 0.00 C ATOM 1231 O SER A 80 -2.151 10.220 3.974 1.00 0.00 O ATOM 1232 CB SER A 80 -2.546 13.457 3.553 1.00 0.00 C ATOM 1233 OG SER A 80 -2.787 14.616 2.775 1.00 0.00 O ATOM 0 H SER A 80 -3.940 10.808 2.686 1.00 0.00 H new ATOM 0 HA SER A 80 -1.850 12.497 1.761 1.00 0.00 H new ATOM 0 HB2 SER A 80 -3.370 13.306 4.251 1.00 0.00 H new ATOM 0 HB3 SER A 80 -1.644 13.597 4.149 1.00 0.00 H new ATOM 0 HG SER A 80 -3.007 14.354 1.857 1.00 0.00 H new ATOM 1239 N TRP A 81 -0.266 11.293 3.378 1.00 0.00 N ATOM 1240 CA TRP A 81 0.616 10.340 4.041 1.00 0.00 C ATOM 1241 C TRP A 81 1.642 11.060 4.909 1.00 0.00 C ATOM 1242 O TRP A 81 1.849 12.266 4.771 1.00 0.00 O ATOM 1243 CB TRP A 81 1.328 9.467 3.006 1.00 0.00 C ATOM 1244 CG TRP A 81 2.168 10.252 2.044 1.00 0.00 C ATOM 1245 CD1 TRP A 81 1.741 10.885 0.912 1.00 0.00 C ATOM 1246 CD2 TRP A 81 3.578 10.485 2.130 1.00 0.00 C ATOM 1247 NE1 TRP A 81 2.801 11.498 0.288 1.00 0.00 N ATOM 1248 CE2 TRP A 81 3.939 11.268 1.016 1.00 0.00 C ATOM 1249 CE3 TRP A 81 4.570 10.110 3.039 1.00 0.00 C ATOM 1250 CZ2 TRP A 81 5.249 11.680 0.789 1.00 0.00 C ATOM 1251 CZ3 TRP A 81 5.870 10.519 2.813 1.00 0.00 C ATOM 1252 CH2 TRP A 81 6.201 11.298 1.696 1.00 0.00 C ATOM 0 H TRP A 81 0.217 12.059 2.908 1.00 0.00 H new ATOM 0 HA TRP A 81 0.006 9.705 4.684 1.00 0.00 H new ATOM 0 HB2 TRP A 81 1.960 8.745 3.523 1.00 0.00 H new ATOM 0 HB3 TRP A 81 0.584 8.898 2.448 1.00 0.00 H new ATOM 0 HD1 TRP A 81 0.720 10.902 0.559 1.00 0.00 H new ATOM 0 HE1 TRP A 81 2.749 12.037 -0.577 1.00 0.00 H new ATOM 0 HE3 TRP A 81 4.325 9.511 3.903 1.00 0.00 H new ATOM 0 HZ2 TRP A 81 5.505 12.280 -0.072 1.00 0.00 H new ATOM 0 HZ3 TRP A 81 6.645 10.233 3.509 1.00 0.00 H new ATOM 0 HH2 TRP A 81 7.226 11.603 1.548 1.00 0.00 H new ATOM 1263 N LEU A 82 2.281 10.315 5.804 1.00 0.00 N ATOM 1264 CA LEU A 82 3.286 10.883 6.695 1.00 0.00 C ATOM 1265 C LEU A 82 4.318 9.832 7.093 1.00 0.00 C ATOM 1266 O LEU A 82 4.041 8.633 7.059 1.00 0.00 O ATOM 1267 CB LEU A 82 2.620 11.460 7.946 1.00 0.00 C ATOM 1268 CG LEU A 82 1.814 10.474 8.791 1.00 0.00 C ATOM 1269 CD1 LEU A 82 2.704 9.808 9.830 1.00 0.00 C ATOM 1270 CD2 LEU A 82 0.644 11.179 9.462 1.00 0.00 C ATOM 0 H LEU A 82 2.121 9.316 5.932 1.00 0.00 H new ATOM 0 HA LEU A 82 3.798 11.684 6.161 1.00 0.00 H new ATOM 0 HB2 LEU A 82 3.394 11.900 8.575 1.00 0.00 H new ATOM 0 HB3 LEU A 82 1.959 12.271 7.640 1.00 0.00 H new ATOM 0 HG LEU A 82 1.418 9.701 8.133 1.00 0.00 H new ATOM 0 HD11 LEU A 82 2.112 9.110 10.422 1.00 0.00 H new ATOM 0 HD12 LEU A 82 3.508 9.269 9.329 1.00 0.00 H new ATOM 0 HD13 LEU A 82 3.130 10.568 10.485 1.00 0.00 H new ATOM 0 HD21 LEU A 82 0.081 10.462 10.059 1.00 0.00 H new ATOM 0 HD22 LEU A 82 1.019 11.973 10.107 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -0.008 11.608 8.701 1.00 0.00 H new ATOM 1282 N ILE A 83 5.506 10.291 7.472 1.00 0.00 N ATOM 1283 CA ILE A 83 6.577 9.391 7.879 1.00 0.00 C ATOM 1284 C ILE A 83 6.538 9.134 9.382 1.00 0.00 C ATOM 1285 O ILE A 83 6.452 10.068 10.178 1.00 0.00 O ATOM 1286 CB ILE A 83 7.960 9.954 7.502 1.00 0.00 C ATOM 1287 CG1 ILE A 83 8.024 10.246 6.002 1.00 0.00 C ATOM 1288 CG2 ILE A 83 9.057 8.979 7.905 1.00 0.00 C ATOM 1289 CD1 ILE A 83 9.101 11.239 5.625 1.00 0.00 C ATOM 0 H ILE A 83 5.751 11.281 7.506 1.00 0.00 H new ATOM 0 HA ILE A 83 6.419 8.452 7.348 1.00 0.00 H new ATOM 0 HB ILE A 83 8.115 10.888 8.042 1.00 0.00 H new ATOM 0 HG12 ILE A 83 8.197 9.313 5.466 1.00 0.00 H new ATOM 0 HG13 ILE A 83 7.058 10.628 5.673 1.00 0.00 H new ATOM 0 HG21 ILE A 83 10.028 9.391 7.632 1.00 0.00 H new ATOM 0 HG22 ILE A 83 9.022 8.816 8.982 1.00 0.00 H new ATOM 0 HG23 ILE A 83 8.908 8.030 7.390 1.00 0.00 H new ATOM 0 HD11 ILE A 83 9.088 11.398 4.547 1.00 0.00 H new ATOM 0 HD12 ILE A 83 8.917 12.185 6.133 1.00 0.00 H new ATOM 0 HD13 ILE A 83 10.075 10.850 5.923 1.00 0.00 H new ATOM 1301 N GLU A 84 6.603 7.862 9.761 1.00 0.00 N ATOM 1302 CA GLU A 84 6.575 7.483 11.169 1.00 0.00 C ATOM 1303 C GLU A 84 7.961 7.059 11.646 1.00 0.00 C ATOM 1304 O GLU A 84 8.593 6.185 11.052 1.00 0.00 O ATOM 1305 CB GLU A 84 5.576 6.346 11.395 1.00 0.00 C ATOM 1306 CG GLU A 84 4.161 6.825 11.673 1.00 0.00 C ATOM 1307 CD GLU A 84 3.930 7.142 13.137 1.00 0.00 C ATOM 1308 OE1 GLU A 84 4.008 6.211 13.966 1.00 0.00 O ATOM 1309 OE2 GLU A 84 3.670 8.322 13.454 1.00 0.00 O ATOM 0 H GLU A 84 6.675 7.077 9.114 1.00 0.00 H new ATOM 0 HA GLU A 84 6.261 8.353 11.746 1.00 0.00 H new ATOM 0 HB2 GLU A 84 5.566 5.702 10.516 1.00 0.00 H new ATOM 0 HB3 GLU A 84 5.915 5.737 12.233 1.00 0.00 H new ATOM 0 HG2 GLU A 84 3.959 7.714 11.076 1.00 0.00 H new ATOM 0 HG3 GLU A 84 3.453 6.060 11.355 1.00 0.00 H new ATOM 1316 N ASP A 85 8.428 7.684 12.721 1.00 0.00 N ATOM 1317 CA ASP A 85 9.739 7.372 13.279 1.00 0.00 C ATOM 1318 C ASP A 85 10.802 7.344 12.185 1.00 0.00 C ATOM 1319 O ASP A 85 11.813 6.654 12.306 1.00 0.00 O ATOM 1320 CB ASP A 85 9.701 6.027 14.005 1.00 0.00 C ATOM 1321 CG ASP A 85 10.668 5.971 15.171 1.00 0.00 C ATOM 1322 OD1 ASP A 85 10.391 6.615 16.203 1.00 0.00 O ATOM 1323 OD2 ASP A 85 11.704 5.283 15.050 1.00 0.00 O ATOM 0 H ASP A 85 7.918 8.410 13.224 1.00 0.00 H new ATOM 0 HA ASP A 85 9.998 8.154 13.993 1.00 0.00 H new ATOM 0 HB2 ASP A 85 8.690 5.841 14.366 1.00 0.00 H new ATOM 0 HB3 ASP A 85 9.939 5.230 13.300 1.00 0.00 H new ATOM 1328 N GLY A 86 10.564 8.098 11.116 1.00 0.00 N ATOM 1329 CA GLY A 86 11.509 8.144 10.015 1.00 0.00 C ATOM 1330 C GLY A 86 11.934 6.762 9.558 1.00 0.00 C ATOM 1331 O GLY A 86 13.008 6.594 8.981 1.00 0.00 O ATOM 0 H GLY A 86 9.734 8.678 10.993 1.00 0.00 H new ATOM 0 HA2 GLY A 86 11.061 8.678 9.177 1.00 0.00 H new ATOM 0 HA3 GLY A 86 12.390 8.710 10.319 1.00 0.00 H new ATOM 1335 N LYS A 87 11.089 5.770 9.817 1.00 0.00 N ATOM 1336 CA LYS A 87 11.382 4.395 9.429 1.00 0.00 C ATOM 1337 C LYS A 87 10.232 3.801 8.622 1.00 0.00 C ATOM 1338 O LYS A 87 10.445 2.985 7.725 1.00 0.00 O ATOM 1339 CB LYS A 87 11.645 3.538 10.669 1.00 0.00 C ATOM 1340 CG LYS A 87 10.414 3.322 11.531 1.00 0.00 C ATOM 1341 CD LYS A 87 10.788 2.889 12.939 1.00 0.00 C ATOM 1342 CE LYS A 87 11.009 1.386 13.019 1.00 0.00 C ATOM 1343 NZ LYS A 87 11.557 0.976 14.342 1.00 0.00 N ATOM 0 H LYS A 87 10.196 5.892 10.294 1.00 0.00 H new ATOM 0 HA LYS A 87 12.275 4.403 8.804 1.00 0.00 H new ATOM 0 HB2 LYS A 87 12.033 2.569 10.355 1.00 0.00 H new ATOM 0 HB3 LYS A 87 12.421 4.012 11.270 1.00 0.00 H new ATOM 0 HG2 LYS A 87 9.833 4.243 11.575 1.00 0.00 H new ATOM 0 HG3 LYS A 87 9.777 2.565 11.074 1.00 0.00 H new ATOM 0 HD2 LYS A 87 11.694 3.408 13.252 1.00 0.00 H new ATOM 0 HD3 LYS A 87 9.998 3.179 13.632 1.00 0.00 H new ATOM 0 HE2 LYS A 87 10.065 0.870 12.841 1.00 0.00 H new ATOM 0 HE3 LYS A 87 11.695 1.077 12.230 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 11.694 -0.055 14.357 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 12.470 1.448 14.501 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 10.891 1.248 15.093 1.00 0.00 H new ATOM 1357 N VAL A 88 9.011 4.217 8.945 1.00 0.00 N ATOM 1358 CA VAL A 88 7.827 3.728 8.249 1.00 0.00 C ATOM 1359 C VAL A 88 7.117 4.858 7.512 1.00 0.00 C ATOM 1360 O VAL A 88 7.299 6.033 7.831 1.00 0.00 O ATOM 1361 CB VAL A 88 6.837 3.064 9.224 1.00 0.00 C ATOM 1362 CG1 VAL A 88 5.603 2.574 8.481 1.00 0.00 C ATOM 1363 CG2 VAL A 88 7.509 1.921 9.970 1.00 0.00 C ATOM 0 H VAL A 88 8.816 4.892 9.685 1.00 0.00 H new ATOM 0 HA VAL A 88 8.168 2.985 7.528 1.00 0.00 H new ATOM 0 HB VAL A 88 6.520 3.808 9.955 1.00 0.00 H new ATOM 0 HG11 VAL A 88 4.915 2.108 9.186 1.00 0.00 H new ATOM 0 HG12 VAL A 88 5.111 3.418 7.997 1.00 0.00 H new ATOM 0 HG13 VAL A 88 5.898 1.845 7.726 1.00 0.00 H new ATOM 0 HG21 VAL A 88 6.795 1.463 10.654 1.00 0.00 H new ATOM 0 HG22 VAL A 88 7.856 1.175 9.256 1.00 0.00 H new ATOM 0 HG23 VAL A 88 8.358 2.305 10.535 1.00 0.00 H new ATOM 1373 N VAL A 89 6.306 4.494 6.523 1.00 0.00 N ATOM 1374 CA VAL A 89 5.566 5.477 5.741 1.00 0.00 C ATOM 1375 C VAL A 89 4.072 5.173 5.747 1.00 0.00 C ATOM 1376 O VAL A 89 3.598 4.314 5.003 1.00 0.00 O ATOM 1377 CB VAL A 89 6.063 5.523 4.284 1.00 0.00 C ATOM 1378 CG1 VAL A 89 5.079 6.283 3.408 1.00 0.00 C ATOM 1379 CG2 VAL A 89 7.448 6.150 4.213 1.00 0.00 C ATOM 0 H VAL A 89 6.145 3.526 6.245 1.00 0.00 H new ATOM 0 HA VAL A 89 5.738 6.447 6.207 1.00 0.00 H new ATOM 0 HB VAL A 89 6.132 4.502 3.909 1.00 0.00 H new ATOM 0 HG11 VAL A 89 5.447 6.305 2.382 1.00 0.00 H new ATOM 0 HG12 VAL A 89 4.109 5.786 3.435 1.00 0.00 H new ATOM 0 HG13 VAL A 89 4.975 7.303 3.778 1.00 0.00 H new ATOM 0 HG21 VAL A 89 7.784 6.174 3.176 1.00 0.00 H new ATOM 0 HG22 VAL A 89 7.408 7.166 4.605 1.00 0.00 H new ATOM 0 HG23 VAL A 89 8.146 5.559 4.806 1.00 0.00 H new ATOM 1389 N THR A 90 3.333 5.884 6.593 1.00 0.00 N ATOM 1390 CA THR A 90 1.893 5.691 6.698 1.00 0.00 C ATOM 1391 C THR A 90 1.149 6.522 5.658 1.00 0.00 C ATOM 1392 O THR A 90 1.522 7.661 5.377 1.00 0.00 O ATOM 1393 CB THR A 90 1.376 6.062 8.101 1.00 0.00 C ATOM 1394 OG1 THR A 90 1.587 7.457 8.347 1.00 0.00 O ATOM 1395 CG2 THR A 90 2.079 5.242 9.171 1.00 0.00 C ATOM 0 H THR A 90 3.709 6.599 7.216 1.00 0.00 H new ATOM 0 HA THR A 90 1.703 4.633 6.517 1.00 0.00 H new ATOM 0 HB THR A 90 0.309 5.843 8.141 1.00 0.00 H new ATOM 0 HG1 THR A 90 2.307 7.786 7.769 1.00 0.00 H new ATOM 0 HG21 THR A 90 1.697 5.522 10.153 1.00 0.00 H new ATOM 0 HG22 THR A 90 1.893 4.182 8.998 1.00 0.00 H new ATOM 0 HG23 THR A 90 3.151 5.434 9.130 1.00 0.00 H new ATOM 1403 N VAL A 91 0.095 5.945 5.091 1.00 0.00 N ATOM 1404 CA VAL A 91 -0.703 6.634 4.083 1.00 0.00 C ATOM 1405 C VAL A 91 -2.191 6.530 4.394 1.00 0.00 C ATOM 1406 O VAL A 91 -2.750 5.434 4.452 1.00 0.00 O ATOM 1407 CB VAL A 91 -0.443 6.064 2.676 1.00 0.00 C ATOM 1408 CG1 VAL A 91 -1.252 6.823 1.634 1.00 0.00 C ATOM 1409 CG2 VAL A 91 1.042 6.112 2.348 1.00 0.00 C ATOM 0 H VAL A 91 -0.227 5.003 5.312 1.00 0.00 H new ATOM 0 HA VAL A 91 -0.403 7.682 4.104 1.00 0.00 H new ATOM 0 HB VAL A 91 -0.762 5.022 2.661 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -1.055 6.406 0.646 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -2.314 6.732 1.861 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -0.967 7.875 1.647 1.00 0.00 H new ATOM 0 HG21 VAL A 91 1.208 5.705 1.350 1.00 0.00 H new ATOM 0 HG22 VAL A 91 1.389 7.145 2.381 1.00 0.00 H new ATOM 0 HG23 VAL A 91 1.595 5.520 3.077 1.00 0.00 H new ATOM 1419 N HIS A 92 -2.830 7.678 4.595 1.00 0.00 N ATOM 1420 CA HIS A 92 -4.256 7.717 4.900 1.00 0.00 C ATOM 1421 C HIS A 92 -5.083 7.814 3.621 1.00 0.00 C ATOM 1422 O HIS A 92 -4.810 8.647 2.755 1.00 0.00 O ATOM 1423 CB HIS A 92 -4.571 8.899 5.816 1.00 0.00 C ATOM 1424 CG HIS A 92 -5.994 9.361 5.731 1.00 0.00 C ATOM 1425 ND1 HIS A 92 -6.922 9.125 6.723 1.00 0.00 N ATOM 1426 CD2 HIS A 92 -6.645 10.050 4.765 1.00 0.00 C ATOM 1427 CE1 HIS A 92 -8.083 9.647 6.369 1.00 0.00 C ATOM 1428 NE2 HIS A 92 -7.941 10.214 5.185 1.00 0.00 N ATOM 0 H HIS A 92 -2.383 8.594 4.552 1.00 0.00 H new ATOM 0 HA HIS A 92 -4.518 6.791 5.412 1.00 0.00 H new ATOM 0 HB2 HIS A 92 -4.350 8.619 6.846 1.00 0.00 H new ATOM 0 HB3 HIS A 92 -3.912 9.730 5.563 1.00 0.00 H new ATOM 0 HD1 HIS A 92 -6.741 8.626 7.594 1.00 0.00 H new ATOM 0 HD2 HIS A 92 -6.223 10.405 3.836 1.00 0.00 H new ATOM 0 HE1 HIS A 92 -8.993 9.615 6.949 1.00 0.00 H new ATOM 1437 N LEU A 93 -6.093 6.959 3.509 1.00 0.00 N ATOM 1438 CA LEU A 93 -6.959 6.948 2.335 1.00 0.00 C ATOM 1439 C LEU A 93 -8.412 7.200 2.728 1.00 0.00 C ATOM 1440 O LEU A 93 -9.018 6.401 3.441 1.00 0.00 O ATOM 1441 CB LEU A 93 -6.842 5.611 1.602 1.00 0.00 C ATOM 1442 CG LEU A 93 -5.492 5.322 0.944 1.00 0.00 C ATOM 1443 CD1 LEU A 93 -5.347 3.837 0.652 1.00 0.00 C ATOM 1444 CD2 LEU A 93 -5.336 6.136 -0.332 1.00 0.00 C ATOM 0 H LEU A 93 -6.333 6.264 4.216 1.00 0.00 H new ATOM 0 HA LEU A 93 -6.637 7.749 1.670 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -7.057 4.811 2.310 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -7.614 5.572 0.833 1.00 0.00 H new ATOM 0 HG LEU A 93 -4.702 5.614 1.636 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -4.380 3.651 0.184 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -5.413 3.275 1.583 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -6.143 3.519 -0.021 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -4.370 5.918 -0.787 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -6.132 5.876 -1.029 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -5.394 7.198 -0.095 1.00 0.00 H new ATOM 1456 N GLU A 94 -8.963 8.313 2.256 1.00 0.00 N ATOM 1457 CA GLU A 94 -10.345 8.668 2.558 1.00 0.00 C ATOM 1458 C GLU A 94 -11.308 7.962 1.608 1.00 0.00 C ATOM 1459 O GLU A 94 -11.211 8.102 0.389 1.00 0.00 O ATOM 1460 CB GLU A 94 -10.538 10.183 2.463 1.00 0.00 C ATOM 1461 CG GLU A 94 -11.832 10.672 3.090 1.00 0.00 C ATOM 1462 CD GLU A 94 -12.986 10.691 2.107 1.00 0.00 C ATOM 1463 OE1 GLU A 94 -13.025 9.812 1.220 1.00 0.00 O ATOM 1464 OE2 GLU A 94 -13.852 11.584 2.225 1.00 0.00 O ATOM 0 H GLU A 94 -8.475 8.984 1.663 1.00 0.00 H new ATOM 0 HA GLU A 94 -10.562 8.344 3.576 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -9.698 10.679 2.950 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -10.518 10.478 1.414 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -12.088 10.030 3.933 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -11.682 11.676 3.488 1.00 0.00 H new ATOM 1471 N LYS A 95 -12.237 7.201 2.176 1.00 0.00 N ATOM 1472 CA LYS A 95 -13.219 6.471 1.383 1.00 0.00 C ATOM 1473 C LYS A 95 -14.327 7.402 0.899 1.00 0.00 C ATOM 1474 O LYS A 95 -15.121 7.903 1.696 1.00 0.00 O ATOM 1475 CB LYS A 95 -13.821 5.328 2.203 1.00 0.00 C ATOM 1476 CG LYS A 95 -12.876 4.154 2.393 1.00 0.00 C ATOM 1477 CD LYS A 95 -13.552 3.007 3.127 1.00 0.00 C ATOM 1478 CE LYS A 95 -12.533 2.054 3.731 1.00 0.00 C ATOM 1479 NZ LYS A 95 -13.123 0.714 4.008 1.00 0.00 N ATOM 0 H LYS A 95 -12.331 7.074 3.184 1.00 0.00 H new ATOM 0 HA LYS A 95 -12.710 6.056 0.513 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -14.115 5.709 3.181 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -14.728 4.978 1.711 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -12.524 3.808 1.421 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -11.999 4.479 2.953 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -14.191 3.405 3.915 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -14.197 2.462 2.438 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -11.689 1.945 3.050 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -12.143 2.478 4.657 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -12.607 0.262 4.789 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -14.123 0.823 4.271 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -13.052 0.121 3.157 1.00 0.00 H new ATOM 1493 N ILE A 96 -14.375 7.627 -0.409 1.00 0.00 N ATOM 1494 CA ILE A 96 -15.388 8.494 -0.998 1.00 0.00 C ATOM 1495 C ILE A 96 -16.728 8.336 -0.288 1.00 0.00 C ATOM 1496 O ILE A 96 -17.512 9.280 -0.202 1.00 0.00 O ATOM 1497 CB ILE A 96 -15.577 8.202 -2.498 1.00 0.00 C ATOM 1498 CG1 ILE A 96 -14.296 8.529 -3.269 1.00 0.00 C ATOM 1499 CG2 ILE A 96 -16.751 8.998 -3.049 1.00 0.00 C ATOM 1500 CD1 ILE A 96 -13.957 10.003 -3.280 1.00 0.00 C ATOM 0 H ILE A 96 -13.724 7.221 -1.081 1.00 0.00 H new ATOM 0 HA ILE A 96 -15.034 9.518 -0.878 1.00 0.00 H new ATOM 0 HB ILE A 96 -15.793 7.141 -2.622 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -13.466 7.977 -2.829 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -14.401 8.181 -4.297 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -16.872 8.781 -4.110 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -17.661 8.721 -2.516 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -16.563 10.063 -2.916 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -13.038 10.161 -3.844 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -14.769 10.560 -3.747 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -13.819 10.352 -2.257 1.00 0.00 H new ATOM 1512 N ASN A 97 -16.983 7.135 0.221 1.00 0.00 N ATOM 1513 CA ASN A 97 -18.228 6.852 0.926 1.00 0.00 C ATOM 1514 C ASN A 97 -17.958 6.112 2.233 1.00 0.00 C ATOM 1515 O ASN A 97 -17.347 5.044 2.239 1.00 0.00 O ATOM 1516 CB ASN A 97 -19.163 6.024 0.042 1.00 0.00 C ATOM 1517 CG ASN A 97 -19.963 6.883 -0.918 1.00 0.00 C ATOM 1518 OD1 ASN A 97 -19.909 8.112 -0.861 1.00 0.00 O ATOM 1519 ND2 ASN A 97 -20.711 6.239 -1.806 1.00 0.00 N ATOM 0 H ASN A 97 -16.344 6.342 0.158 1.00 0.00 H new ATOM 0 HA ASN A 97 -18.707 7.803 1.160 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -18.577 5.301 -0.525 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -19.847 5.456 0.673 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -21.271 6.764 -2.477 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -20.725 5.219 -1.817 1.00 0.00 H new ATOM 1526 N LYS A 98 -18.419 6.688 3.338 1.00 0.00 N ATOM 1527 CA LYS A 98 -18.230 6.084 4.652 1.00 0.00 C ATOM 1528 C LYS A 98 -19.141 4.874 4.830 1.00 0.00 C ATOM 1529 O LYS A 98 -19.172 4.261 5.897 1.00 0.00 O ATOM 1530 CB LYS A 98 -18.505 7.110 5.753 1.00 0.00 C ATOM 1531 CG LYS A 98 -17.765 8.422 5.560 1.00 0.00 C ATOM 1532 CD LYS A 98 -16.318 8.318 6.013 1.00 0.00 C ATOM 1533 CE LYS A 98 -15.559 9.611 5.757 1.00 0.00 C ATOM 1534 NZ LYS A 98 -14.473 9.823 6.754 1.00 0.00 N ATOM 0 H LYS A 98 -18.926 7.573 3.350 1.00 0.00 H new ATOM 0 HA LYS A 98 -17.195 5.751 4.726 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -19.576 7.309 5.793 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -18.224 6.682 6.715 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -17.798 8.708 4.509 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -18.267 9.210 6.121 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -16.285 8.080 7.076 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -15.829 7.498 5.487 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -15.132 9.589 4.754 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -16.252 10.452 5.790 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -13.979 10.714 6.545 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -14.883 9.869 7.709 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -13.798 9.034 6.705 1.00 0.00 H new ATOM 1548 N MET A 99 -19.880 4.535 3.779 1.00 0.00 N ATOM 1549 CA MET A 99 -20.791 3.396 3.820 1.00 0.00 C ATOM 1550 C MET A 99 -20.312 2.284 2.893 1.00 0.00 C ATOM 1551 O MET A 99 -21.114 1.507 2.377 1.00 0.00 O ATOM 1552 CB MET A 99 -22.204 3.831 3.428 1.00 0.00 C ATOM 1553 CG MET A 99 -22.907 4.650 4.498 1.00 0.00 C ATOM 1554 SD MET A 99 -22.936 3.821 6.099 1.00 0.00 S ATOM 1555 CE MET A 99 -24.063 2.471 5.761 1.00 0.00 C ATOM 0 H MET A 99 -19.866 5.032 2.889 1.00 0.00 H new ATOM 0 HA MET A 99 -20.808 3.012 4.840 1.00 0.00 H new ATOM 0 HB2 MET A 99 -22.154 4.416 2.509 1.00 0.00 H new ATOM 0 HB3 MET A 99 -22.801 2.945 3.210 1.00 0.00 H new ATOM 0 HG2 MET A 99 -22.406 5.613 4.601 1.00 0.00 H new ATOM 0 HG3 MET A 99 -23.929 4.855 4.180 1.00 0.00 H new ATOM 0 HE1 MET A 99 -24.309 1.961 6.692 1.00 0.00 H new ATOM 0 HE2 MET A 99 -24.975 2.862 5.309 1.00 0.00 H new ATOM 0 HE3 MET A 99 -23.592 1.767 5.075 1.00 0.00 H new ATOM 1565 N GLU A 100 -19.000 2.215 2.686 1.00 0.00 N ATOM 1566 CA GLU A 100 -18.417 1.198 1.819 1.00 0.00 C ATOM 1567 C GLU A 100 -17.292 0.454 2.534 1.00 0.00 C ATOM 1568 O GLU A 100 -16.542 1.042 3.313 1.00 0.00 O ATOM 1569 CB GLU A 100 -17.885 1.836 0.534 1.00 0.00 C ATOM 1570 CG GLU A 100 -17.254 0.839 -0.424 1.00 0.00 C ATOM 1571 CD GLU A 100 -18.259 0.239 -1.387 1.00 0.00 C ATOM 1572 OE1 GLU A 100 -19.294 0.888 -1.646 1.00 0.00 O ATOM 1573 OE2 GLU A 100 -18.010 -0.880 -1.883 1.00 0.00 O ATOM 0 H GLU A 100 -18.322 2.851 3.106 1.00 0.00 H new ATOM 0 HA GLU A 100 -19.199 0.482 1.564 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -18.703 2.347 0.026 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -17.147 2.595 0.794 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -16.465 1.334 -0.990 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -16.783 0.040 0.148 1.00 0.00 H new ATOM 1580 N TRP A 101 -17.183 -0.842 2.264 1.00 0.00 N ATOM 1581 CA TRP A 101 -16.151 -1.667 2.881 1.00 0.00 C ATOM 1582 C TRP A 101 -15.161 -2.171 1.838 1.00 0.00 C ATOM 1583 O TRP A 101 -15.544 -2.506 0.717 1.00 0.00 O ATOM 1584 CB TRP A 101 -16.786 -2.850 3.614 1.00 0.00 C ATOM 1585 CG TRP A 101 -17.130 -2.550 5.041 1.00 0.00 C ATOM 1586 CD1 TRP A 101 -18.370 -2.282 5.547 1.00 0.00 C ATOM 1587 CD2 TRP A 101 -16.221 -2.484 6.146 1.00 0.00 C ATOM 1588 NE1 TRP A 101 -18.287 -2.054 6.899 1.00 0.00 N ATOM 1589 CE2 TRP A 101 -16.980 -2.174 7.292 1.00 0.00 C ATOM 1590 CE3 TRP A 101 -14.842 -2.661 6.280 1.00 0.00 C ATOM 1591 CZ2 TRP A 101 -16.403 -2.034 8.551 1.00 0.00 C ATOM 1592 CZ3 TRP A 101 -14.271 -2.522 7.530 1.00 0.00 C ATOM 1593 CH2 TRP A 101 -15.050 -2.212 8.653 1.00 0.00 C ATOM 0 H TRP A 101 -17.796 -1.344 1.622 1.00 0.00 H new ATOM 0 HA TRP A 101 -15.610 -1.051 3.600 1.00 0.00 H new ATOM 0 HB2 TRP A 101 -17.690 -3.152 3.086 1.00 0.00 H new ATOM 0 HB3 TRP A 101 -16.101 -3.697 3.583 1.00 0.00 H new ATOM 0 HD1 TRP A 101 -19.282 -2.254 4.969 1.00 0.00 H new ATOM 0 HE1 TRP A 101 -19.072 -1.831 7.511 1.00 0.00 H new ATOM 0 HE3 TRP A 101 -14.233 -2.902 5.421 1.00 0.00 H new ATOM 0 HZ2 TRP A 101 -17.002 -1.793 9.417 1.00 0.00 H new ATOM 0 HZ3 TRP A 101 -13.205 -2.655 7.644 1.00 0.00 H new ATOM 0 HH2 TRP A 101 -14.574 -2.112 9.617 1.00 0.00 H new ATOM 1604 N TRP A 102 -13.888 -2.223 2.213 1.00 0.00 N ATOM 1605 CA TRP A 102 -12.843 -2.687 1.308 1.00 0.00 C ATOM 1606 C TRP A 102 -12.520 -4.156 1.556 1.00 0.00 C ATOM 1607 O TRP A 102 -12.689 -4.658 2.667 1.00 0.00 O ATOM 1608 CB TRP A 102 -11.581 -1.839 1.476 1.00 0.00 C ATOM 1609 CG TRP A 102 -11.687 -0.484 0.846 1.00 0.00 C ATOM 1610 CD1 TRP A 102 -12.741 0.381 0.935 1.00 0.00 C ATOM 1611 CD2 TRP A 102 -10.704 0.161 0.029 1.00 0.00 C ATOM 1612 NE1 TRP A 102 -12.472 1.525 0.222 1.00 0.00 N ATOM 1613 CE2 TRP A 102 -11.228 1.415 -0.342 1.00 0.00 C ATOM 1614 CE3 TRP A 102 -9.431 -0.197 -0.423 1.00 0.00 C ATOM 1615 CZ2 TRP A 102 -10.523 2.309 -1.144 1.00 0.00 C ATOM 1616 CZ3 TRP A 102 -8.733 0.691 -1.220 1.00 0.00 C ATOM 1617 CH2 TRP A 102 -9.280 1.932 -1.573 1.00 0.00 C ATOM 0 H TRP A 102 -13.555 -1.950 3.137 1.00 0.00 H new ATOM 0 HA TRP A 102 -13.209 -2.583 0.287 1.00 0.00 H new ATOM 0 HB2 TRP A 102 -11.370 -1.722 2.539 1.00 0.00 H new ATOM 0 HB3 TRP A 102 -10.735 -2.369 1.039 1.00 0.00 H new ATOM 0 HD1 TRP A 102 -13.652 0.193 1.485 1.00 0.00 H new ATOM 0 HE1 TRP A 102 -13.097 2.326 0.128 1.00 0.00 H new ATOM 0 HE3 TRP A 102 -9.000 -1.150 -0.154 1.00 0.00 H new ATOM 0 HZ2 TRP A 102 -10.943 3.266 -1.417 1.00 0.00 H new ATOM 0 HZ3 TRP A 102 -7.749 0.424 -1.577 1.00 0.00 H new ATOM 0 HH2 TRP A 102 -8.709 2.604 -2.196 1.00 0.00 H new ATOM 1628 N ASN A 103 -12.056 -4.840 0.516 1.00 0.00 N ATOM 1629 CA ASN A 103 -11.710 -6.253 0.623 1.00 0.00 C ATOM 1630 C ASN A 103 -10.200 -6.452 0.532 1.00 0.00 C ATOM 1631 O ASN A 103 -9.691 -7.542 0.791 1.00 0.00 O ATOM 1632 CB ASN A 103 -12.408 -7.055 -0.478 1.00 0.00 C ATOM 1633 CG ASN A 103 -12.507 -8.531 -0.143 1.00 0.00 C ATOM 1634 OD1 ASN A 103 -12.044 -8.973 0.908 1.00 0.00 O ATOM 1635 ND2 ASN A 103 -13.113 -9.301 -1.040 1.00 0.00 N ATOM 0 H ASN A 103 -11.911 -4.439 -0.411 1.00 0.00 H new ATOM 0 HA ASN A 103 -12.048 -6.611 1.595 1.00 0.00 H new ATOM 0 HB2 ASN A 103 -13.409 -6.653 -0.638 1.00 0.00 H new ATOM 0 HB3 ASN A 103 -11.863 -6.933 -1.414 1.00 0.00 H new ATOM 0 HD21 ASN A 103 -13.209 -10.302 -0.871 1.00 0.00 H new ATOM 0 HD22 ASN A 103 -13.482 -8.891 -1.898 1.00 0.00 H new ATOM 1642 N ARG A 104 -9.490 -5.391 0.164 1.00 0.00 N ATOM 1643 CA ARG A 104 -8.039 -5.448 0.039 1.00 0.00 C ATOM 1644 C ARG A 104 -7.465 -4.071 -0.283 1.00 0.00 C ATOM 1645 O ARG A 104 -8.188 -3.170 -0.711 1.00 0.00 O ATOM 1646 CB ARG A 104 -7.639 -6.446 -1.050 1.00 0.00 C ATOM 1647 CG ARG A 104 -8.063 -6.025 -2.448 1.00 0.00 C ATOM 1648 CD ARG A 104 -7.808 -7.128 -3.463 1.00 0.00 C ATOM 1649 NE ARG A 104 -8.560 -6.920 -4.697 1.00 0.00 N ATOM 1650 CZ ARG A 104 -9.886 -6.968 -4.767 1.00 0.00 C ATOM 1651 NH1 ARG A 104 -10.602 -7.216 -3.679 1.00 0.00 N ATOM 1652 NH2 ARG A 104 -10.498 -6.768 -5.927 1.00 0.00 N ATOM 0 H ARG A 104 -9.896 -4.481 -0.053 1.00 0.00 H new ATOM 0 HA ARG A 104 -7.630 -5.778 0.994 1.00 0.00 H new ATOM 0 HB2 ARG A 104 -6.557 -6.577 -1.032 1.00 0.00 H new ATOM 0 HB3 ARG A 104 -8.081 -7.416 -0.822 1.00 0.00 H new ATOM 0 HG2 ARG A 104 -9.122 -5.768 -2.446 1.00 0.00 H new ATOM 0 HG3 ARG A 104 -7.518 -5.127 -2.740 1.00 0.00 H new ATOM 0 HD2 ARG A 104 -6.743 -7.172 -3.691 1.00 0.00 H new ATOM 0 HD3 ARG A 104 -8.081 -8.090 -3.029 1.00 0.00 H new ATOM 0 HE ARG A 104 -8.039 -6.727 -5.552 1.00 0.00 H new ATOM 0 HH11 ARG A 104 -10.135 -7.370 -2.785 1.00 0.00 H new ATOM 0 HH12 ARG A 104 -11.620 -7.252 -3.736 1.00 0.00 H new ATOM 0 HH21 ARG A 104 -9.951 -6.577 -6.766 1.00 0.00 H new ATOM 0 HH22 ARG A 104 -11.516 -6.805 -5.980 1.00 0.00 H new ATOM 1666 N LEU A 105 -6.163 -3.915 -0.073 1.00 0.00 N ATOM 1667 CA LEU A 105 -5.492 -2.647 -0.340 1.00 0.00 C ATOM 1668 C LEU A 105 -5.558 -2.298 -1.824 1.00 0.00 C ATOM 1669 O LEU A 105 -6.096 -1.258 -2.204 1.00 0.00 O ATOM 1670 CB LEU A 105 -4.033 -2.714 0.115 1.00 0.00 C ATOM 1671 CG LEU A 105 -3.407 -1.392 0.559 1.00 0.00 C ATOM 1672 CD1 LEU A 105 -3.346 -0.413 -0.604 1.00 0.00 C ATOM 1673 CD2 LEU A 105 -4.189 -0.794 1.719 1.00 0.00 C ATOM 0 H LEU A 105 -5.551 -4.650 0.281 1.00 0.00 H new ATOM 0 HA LEU A 105 -6.006 -1.867 0.221 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -3.963 -3.422 0.941 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -3.437 -3.119 -0.703 1.00 0.00 H new ATOM 0 HG LEU A 105 -2.389 -1.590 0.896 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -2.898 0.522 -0.269 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -2.743 -0.838 -1.406 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -4.354 -0.221 -0.971 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -3.729 0.147 2.022 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -5.218 -0.611 1.408 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -4.182 -1.488 2.559 1.00 0.00 H new ATOM 1685 N VAL A 106 -5.009 -3.175 -2.658 1.00 0.00 N ATOM 1686 CA VAL A 106 -5.008 -2.962 -4.100 1.00 0.00 C ATOM 1687 C VAL A 106 -5.505 -4.199 -4.839 1.00 0.00 C ATOM 1688 O VAL A 106 -5.882 -5.196 -4.222 1.00 0.00 O ATOM 1689 CB VAL A 106 -3.602 -2.601 -4.614 1.00 0.00 C ATOM 1690 CG1 VAL A 106 -3.204 -1.209 -4.147 1.00 0.00 C ATOM 1691 CG2 VAL A 106 -2.586 -3.636 -4.156 1.00 0.00 C ATOM 0 H VAL A 106 -4.559 -4.040 -2.359 1.00 0.00 H new ATOM 0 HA VAL A 106 -5.683 -2.129 -4.297 1.00 0.00 H new ATOM 0 HB VAL A 106 -3.621 -2.601 -5.704 1.00 0.00 H new ATOM 0 HG11 VAL A 106 -2.208 -0.971 -4.520 1.00 0.00 H new ATOM 0 HG12 VAL A 106 -3.918 -0.479 -4.529 1.00 0.00 H new ATOM 0 HG13 VAL A 106 -3.201 -1.178 -3.057 1.00 0.00 H new ATOM 0 HG21 VAL A 106 -1.598 -3.365 -4.528 1.00 0.00 H new ATOM 0 HG22 VAL A 106 -2.567 -3.670 -3.067 1.00 0.00 H new ATOM 0 HG23 VAL A 106 -2.864 -4.616 -4.545 1.00 0.00 H new ATOM 1701 N THR A 107 -5.502 -4.130 -6.167 1.00 0.00 N ATOM 1702 CA THR A 107 -5.953 -5.244 -6.992 1.00 0.00 C ATOM 1703 C THR A 107 -4.849 -6.281 -7.165 1.00 0.00 C ATOM 1704 O THR A 107 -4.950 -7.174 -8.006 1.00 0.00 O ATOM 1705 CB THR A 107 -6.414 -4.764 -8.381 1.00 0.00 C ATOM 1706 OG1 THR A 107 -5.324 -4.142 -9.071 1.00 0.00 O ATOM 1707 CG2 THR A 107 -7.570 -3.783 -8.258 1.00 0.00 C ATOM 0 H THR A 107 -5.192 -3.314 -6.694 1.00 0.00 H new ATOM 0 HA THR A 107 -6.798 -5.699 -6.475 1.00 0.00 H new ATOM 0 HB THR A 107 -6.754 -5.631 -8.947 1.00 0.00 H new ATOM 0 HG1 THR A 107 -5.625 -3.841 -9.954 1.00 0.00 H new ATOM 0 HG21 THR A 107 -7.879 -3.458 -9.252 1.00 0.00 H new ATOM 0 HG22 THR A 107 -8.408 -4.269 -7.759 1.00 0.00 H new ATOM 0 HG23 THR A 107 -7.253 -2.918 -7.675 1.00 0.00 H new ATOM 1715 N SER A 108 -3.795 -6.157 -6.364 1.00 0.00 N ATOM 1716 CA SER A 108 -2.671 -7.083 -6.432 1.00 0.00 C ATOM 1717 C SER A 108 -2.658 -8.012 -5.222 1.00 0.00 C ATOM 1718 O SER A 108 -2.353 -9.198 -5.340 1.00 0.00 O ATOM 1719 CB SER A 108 -1.352 -6.311 -6.511 1.00 0.00 C ATOM 1720 OG SER A 108 -0.295 -7.151 -6.942 1.00 0.00 O ATOM 0 H SER A 108 -3.696 -5.425 -5.661 1.00 0.00 H new ATOM 0 HA SER A 108 -2.784 -7.688 -7.331 1.00 0.00 H new ATOM 0 HB2 SER A 108 -1.458 -5.473 -7.199 1.00 0.00 H new ATOM 0 HB3 SER A 108 -1.113 -5.892 -5.533 1.00 0.00 H new ATOM 0 HG SER A 108 0.536 -6.634 -6.986 1.00 0.00 H new ATOM 1726 N ASP A 109 -2.991 -7.462 -4.059 1.00 0.00 N ATOM 1727 CA ASP A 109 -3.020 -8.240 -2.826 1.00 0.00 C ATOM 1728 C ASP A 109 -4.267 -9.116 -2.765 1.00 0.00 C ATOM 1729 O ASP A 109 -5.254 -8.883 -3.463 1.00 0.00 O ATOM 1730 CB ASP A 109 -2.973 -7.312 -1.611 1.00 0.00 C ATOM 1731 CG ASP A 109 -3.598 -5.960 -1.891 1.00 0.00 C ATOM 1732 OD1 ASP A 109 -4.809 -5.918 -2.196 1.00 0.00 O ATOM 1733 OD2 ASP A 109 -2.878 -4.943 -1.806 1.00 0.00 O ATOM 0 H ASP A 109 -3.245 -6.481 -3.945 1.00 0.00 H new ATOM 0 HA ASP A 109 -2.143 -8.887 -2.813 1.00 0.00 H new ATOM 0 HB2 ASP A 109 -3.493 -7.784 -0.777 1.00 0.00 H new ATOM 0 HB3 ASP A 109 -1.937 -7.173 -1.303 1.00 0.00 H new ATOM 1738 N PRO A 110 -4.224 -10.149 -1.910 1.00 0.00 N ATOM 1739 CA PRO A 110 -5.342 -11.081 -1.738 1.00 0.00 C ATOM 1740 C PRO A 110 -6.536 -10.433 -1.046 1.00 0.00 C ATOM 1741 O PRO A 110 -6.422 -9.344 -0.485 1.00 0.00 O ATOM 1742 CB PRO A 110 -4.750 -12.186 -0.860 1.00 0.00 C ATOM 1743 CG PRO A 110 -3.641 -11.526 -0.116 1.00 0.00 C ATOM 1744 CD PRO A 110 -3.080 -10.487 -1.047 1.00 0.00 C ATOM 0 HA PRO A 110 -5.727 -11.437 -2.694 1.00 0.00 H new ATOM 0 HB2 PRO A 110 -5.497 -12.593 -0.178 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -4.383 -13.017 -1.463 1.00 0.00 H new ATOM 0 HG2 PRO A 110 -4.006 -11.070 0.804 1.00 0.00 H new ATOM 0 HG3 PRO A 110 -2.877 -12.249 0.168 1.00 0.00 H new ATOM 0 HD2 PRO A 110 -2.715 -9.615 -0.504 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -2.242 -10.876 -1.625 1.00 0.00 H new ATOM 1752 N GLU A 111 -7.679 -11.109 -1.091 1.00 0.00 N ATOM 1753 CA GLU A 111 -8.894 -10.597 -0.468 1.00 0.00 C ATOM 1754 C GLU A 111 -9.107 -11.225 0.906 1.00 0.00 C ATOM 1755 O GLU A 111 -8.436 -12.191 1.270 1.00 0.00 O ATOM 1756 CB GLU A 111 -10.106 -10.871 -1.360 1.00 0.00 C ATOM 1757 CG GLU A 111 -9.876 -10.529 -2.822 1.00 0.00 C ATOM 1758 CD GLU A 111 -10.747 -11.345 -3.757 1.00 0.00 C ATOM 1759 OE1 GLU A 111 -10.824 -12.577 -3.570 1.00 0.00 O ATOM 1760 OE2 GLU A 111 -11.351 -10.752 -4.675 1.00 0.00 O ATOM 0 H GLU A 111 -7.789 -12.012 -1.552 1.00 0.00 H new ATOM 0 HA GLU A 111 -8.781 -9.520 -0.342 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -10.374 -11.924 -1.280 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -10.956 -10.297 -0.991 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -10.075 -9.469 -2.979 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -8.828 -10.696 -3.070 1.00 0.00 H new ATOM 1767 N ILE A 112 -10.046 -10.670 1.665 1.00 0.00 N ATOM 1768 CA ILE A 112 -10.348 -11.175 2.999 1.00 0.00 C ATOM 1769 C ILE A 112 -11.854 -11.245 3.232 1.00 0.00 C ATOM 1770 O ILE A 112 -12.595 -10.344 2.843 1.00 0.00 O ATOM 1771 CB ILE A 112 -9.711 -10.297 4.092 1.00 0.00 C ATOM 1772 CG1 ILE A 112 -9.739 -8.825 3.674 1.00 0.00 C ATOM 1773 CG2 ILE A 112 -8.285 -10.748 4.369 1.00 0.00 C ATOM 1774 CD1 ILE A 112 -9.805 -7.867 4.843 1.00 0.00 C ATOM 0 H ILE A 112 -10.611 -9.870 1.379 1.00 0.00 H new ATOM 0 HA ILE A 112 -9.926 -12.178 3.059 1.00 0.00 H new ATOM 0 HB ILE A 112 -10.290 -10.406 5.009 1.00 0.00 H new ATOM 0 HG12 ILE A 112 -8.849 -8.606 3.085 1.00 0.00 H new ATOM 0 HG13 ILE A 112 -10.599 -8.656 3.027 1.00 0.00 H new ATOM 0 HG21 ILE A 112 -7.848 -10.118 5.144 1.00 0.00 H new ATOM 0 HG22 ILE A 112 -8.290 -11.785 4.705 1.00 0.00 H new ATOM 0 HG23 ILE A 112 -7.693 -10.665 3.457 1.00 0.00 H new ATOM 0 HD11 ILE A 112 -9.822 -6.842 4.473 1.00 0.00 H new ATOM 0 HD12 ILE A 112 -10.709 -8.059 5.420 1.00 0.00 H new ATOM 0 HD13 ILE A 112 -8.931 -8.009 5.479 1.00 0.00 H new ATOM 1786 N ASN A 113 -12.299 -12.323 3.871 1.00 0.00 N ATOM 1787 CA ASN A 113 -13.716 -12.510 4.157 1.00 0.00 C ATOM 1788 C ASN A 113 -14.252 -11.372 5.020 1.00 0.00 C ATOM 1789 O ASN A 113 -14.433 -11.525 6.229 1.00 0.00 O ATOM 1790 CB ASN A 113 -13.942 -13.849 4.862 1.00 0.00 C ATOM 1791 CG ASN A 113 -15.387 -14.305 4.787 1.00 0.00 C ATOM 1792 OD1 ASN A 113 -16.086 -14.031 3.811 1.00 0.00 O ATOM 1793 ND2 ASN A 113 -15.840 -15.006 5.819 1.00 0.00 N ATOM 0 H ASN A 113 -11.699 -13.079 4.200 1.00 0.00 H new ATOM 0 HA ASN A 113 -14.256 -12.509 3.210 1.00 0.00 H new ATOM 0 HB2 ASN A 113 -13.301 -14.607 4.411 1.00 0.00 H new ATOM 0 HB3 ASN A 113 -13.645 -13.761 5.907 1.00 0.00 H new ATOM 0 HD21 ASN A 113 -16.803 -15.341 5.824 1.00 0.00 H new ATOM 0 HD22 ASN A 113 -15.225 -15.210 6.607 1.00 0.00 H new ATOM 1800 N THR A 114 -14.505 -10.228 4.391 1.00 0.00 N ATOM 1801 CA THR A 114 -15.019 -9.063 5.100 1.00 0.00 C ATOM 1802 C THR A 114 -16.303 -9.399 5.850 1.00 0.00 C ATOM 1803 O THR A 114 -16.473 -9.025 7.011 1.00 0.00 O ATOM 1804 CB THR A 114 -15.292 -7.894 4.136 1.00 0.00 C ATOM 1805 OG1 THR A 114 -16.155 -8.323 3.077 1.00 0.00 O ATOM 1806 CG2 THR A 114 -13.993 -7.358 3.553 1.00 0.00 C ATOM 0 H THR A 114 -14.362 -10.084 3.391 1.00 0.00 H new ATOM 0 HA THR A 114 -14.252 -8.763 5.814 1.00 0.00 H new ATOM 0 HB THR A 114 -15.776 -7.095 4.698 1.00 0.00 H new ATOM 0 HG1 THR A 114 -16.325 -7.573 2.469 1.00 0.00 H new ATOM 0 HG21 THR A 114 -14.212 -6.533 2.875 1.00 0.00 H new ATOM 0 HG22 THR A 114 -13.351 -7.005 4.360 1.00 0.00 H new ATOM 0 HG23 THR A 114 -13.485 -8.152 3.006 1.00 0.00 H new ATOM 1814 N LYS A 115 -17.206 -10.107 5.180 1.00 0.00 N ATOM 1815 CA LYS A 115 -18.475 -10.496 5.783 1.00 0.00 C ATOM 1816 C LYS A 115 -18.370 -11.871 6.435 1.00 0.00 C ATOM 1817 O LYS A 115 -17.527 -12.685 6.056 1.00 0.00 O ATOM 1818 CB LYS A 115 -19.584 -10.504 4.728 1.00 0.00 C ATOM 1819 CG LYS A 115 -19.881 -9.132 4.148 1.00 0.00 C ATOM 1820 CD LYS A 115 -21.016 -9.187 3.139 1.00 0.00 C ATOM 1821 CE LYS A 115 -22.373 -9.167 3.825 1.00 0.00 C ATOM 1822 NZ LYS A 115 -23.480 -9.461 2.873 1.00 0.00 N ATOM 0 H LYS A 115 -17.082 -10.423 4.218 1.00 0.00 H new ATOM 0 HA LYS A 115 -18.720 -9.766 6.554 1.00 0.00 H new ATOM 0 HB2 LYS A 115 -19.300 -11.177 3.919 1.00 0.00 H new ATOM 0 HB3 LYS A 115 -20.494 -10.906 5.173 1.00 0.00 H new ATOM 0 HG2 LYS A 115 -20.141 -8.444 4.953 1.00 0.00 H new ATOM 0 HG3 LYS A 115 -18.985 -8.737 3.668 1.00 0.00 H new ATOM 0 HD2 LYS A 115 -20.939 -8.340 2.457 1.00 0.00 H new ATOM 0 HD3 LYS A 115 -20.925 -10.091 2.536 1.00 0.00 H new ATOM 0 HE2 LYS A 115 -22.383 -9.900 4.631 1.00 0.00 H new ATOM 0 HE3 LYS A 115 -22.535 -8.190 4.280 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 -24.237 -9.974 3.369 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 -23.857 -8.569 2.493 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 -23.120 -10.045 2.092 1.00 0.00 H new ATOM 1836 N SER A 116 -19.231 -12.124 7.415 1.00 0.00 N ATOM 1837 CA SER A 116 -19.232 -13.401 8.121 1.00 0.00 C ATOM 1838 C SER A 116 -20.612 -13.699 8.700 1.00 0.00 C ATOM 1839 O SER A 116 -21.384 -12.788 8.996 1.00 0.00 O ATOM 1840 CB SER A 116 -18.188 -13.390 9.239 1.00 0.00 C ATOM 1841 OG SER A 116 -18.534 -12.460 10.251 1.00 0.00 O ATOM 0 H SER A 116 -19.937 -11.462 7.739 1.00 0.00 H new ATOM 0 HA SER A 116 -18.980 -14.185 7.407 1.00 0.00 H new ATOM 0 HB2 SER A 116 -18.103 -14.387 9.671 1.00 0.00 H new ATOM 0 HB3 SER A 116 -17.211 -13.137 8.826 1.00 0.00 H new ATOM 0 HG SER A 116 -17.852 -12.473 10.955 1.00 0.00 H new ATOM 1847 N GLY A 117 -20.914 -14.984 8.859 1.00 0.00 N ATOM 1848 CA GLY A 117 -22.200 -15.382 9.402 1.00 0.00 C ATOM 1849 C GLY A 117 -22.933 -16.357 8.502 1.00 0.00 C ATOM 1850 O GLY A 117 -22.770 -16.352 7.282 1.00 0.00 O ATOM 0 H GLY A 117 -20.291 -15.756 8.622 1.00 0.00 H new ATOM 0 HA2 GLY A 117 -22.052 -15.837 10.381 1.00 0.00 H new ATOM 0 HA3 GLY A 117 -22.817 -14.496 9.552 1.00 0.00 H new ATOM 1854 N PRO A 118 -23.761 -17.221 9.109 1.00 0.00 N ATOM 1855 CA PRO A 118 -24.536 -18.224 8.373 1.00 0.00 C ATOM 1856 C PRO A 118 -25.646 -17.598 7.535 1.00 0.00 C ATOM 1857 O PRO A 118 -26.231 -18.254 6.674 1.00 0.00 O ATOM 1858 CB PRO A 118 -25.131 -19.095 9.482 1.00 0.00 C ATOM 1859 CG PRO A 118 -25.186 -18.205 10.675 1.00 0.00 C ATOM 1860 CD PRO A 118 -24.003 -17.284 10.560 1.00 0.00 C ATOM 0 HA PRO A 118 -23.920 -18.775 7.663 1.00 0.00 H new ATOM 0 HB2 PRO A 118 -26.123 -19.457 9.212 1.00 0.00 H new ATOM 0 HB3 PRO A 118 -24.513 -19.972 9.671 1.00 0.00 H new ATOM 0 HG2 PRO A 118 -26.119 -17.641 10.698 1.00 0.00 H new ATOM 0 HG3 PRO A 118 -25.141 -18.785 11.597 1.00 0.00 H new ATOM 0 HD2 PRO A 118 -24.218 -16.299 10.975 1.00 0.00 H new ATOM 0 HD3 PRO A 118 -23.137 -17.673 11.096 1.00 0.00 H new ATOM 1868 N SER A 119 -25.929 -16.325 7.793 1.00 0.00 N ATOM 1869 CA SER A 119 -26.971 -15.611 7.064 1.00 0.00 C ATOM 1870 C SER A 119 -26.718 -15.667 5.560 1.00 0.00 C ATOM 1871 O SER A 119 -25.573 -15.620 5.110 1.00 0.00 O ATOM 1872 CB SER A 119 -27.041 -14.155 7.527 1.00 0.00 C ATOM 1873 OG SER A 119 -25.834 -13.470 7.238 1.00 0.00 O ATOM 0 H SER A 119 -25.452 -15.767 8.501 1.00 0.00 H new ATOM 0 HA SER A 119 -27.924 -16.097 7.273 1.00 0.00 H new ATOM 0 HB2 SER A 119 -27.874 -13.653 7.035 1.00 0.00 H new ATOM 0 HB3 SER A 119 -27.235 -14.120 8.599 1.00 0.00 H new ATOM 0 HG SER A 119 -25.904 -12.541 7.542 1.00 0.00 H new ATOM 1879 N SER A 120 -27.795 -15.768 4.788 1.00 0.00 N ATOM 1880 CA SER A 120 -27.691 -15.835 3.335 1.00 0.00 C ATOM 1881 C SER A 120 -27.164 -14.520 2.768 1.00 0.00 C ATOM 1882 O SER A 120 -26.299 -14.511 1.894 1.00 0.00 O ATOM 1883 CB SER A 120 -29.053 -16.160 2.720 1.00 0.00 C ATOM 1884 OG SER A 120 -29.920 -15.040 2.777 1.00 0.00 O ATOM 0 H SER A 120 -28.750 -15.805 5.144 1.00 0.00 H new ATOM 0 HA SER A 120 -26.988 -16.628 3.081 1.00 0.00 H new ATOM 0 HB2 SER A 120 -28.922 -16.470 1.683 1.00 0.00 H new ATOM 0 HB3 SER A 120 -29.503 -17.000 3.250 1.00 0.00 H new ATOM 0 HG SER A 120 -30.783 -15.274 2.376 1.00 0.00 H new ATOM 1890 N GLY A 121 -27.695 -13.410 3.272 1.00 0.00 N ATOM 1891 CA GLY A 121 -27.267 -12.105 2.805 1.00 0.00 C ATOM 1892 C GLY A 121 -26.483 -11.341 3.853 1.00 0.00 C ATOM 1893 O GLY A 121 -25.253 -11.299 3.810 1.00 0.00 O ATOM 0 H GLY A 121 -28.414 -13.392 3.995 1.00 0.00 H new ATOM 0 HA2 GLY A 121 -26.653 -12.226 1.913 1.00 0.00 H new ATOM 0 HA3 GLY A 121 -28.141 -11.522 2.514 1.00 0.00 H new TER 1897 GLY A 121