USER MOD reduce.3.24.130724 H: found=0, std=0, add=643, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 641 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 23 GLN : amide:sc= -3.55! C(o=-16!,f=-13!) USER MOD Set 1.2: A 69 HIS : no HD1:sc= -12.3! C(o=-16!,f=-13!) USER MOD Single : A 1 GLY N :NH3+ -124:sc= 0.0784 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= -0.0319 USER MOD Single : A 5 SER OG : rot 180:sc=-0.000711 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot 180:sc= -0.233 USER MOD Single : A 13 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 14 ASN : amide:sc= -2.38! C(o=-2.4!,f=-8.7!) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ -153:sc= 0 (180deg=-0.707) USER MOD Single : A 28 CYS SG : rot 180:sc= 0 USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 162:sc= -0.0184 (180deg=-0.169) USER MOD Single : A 33 THR OG1 : rot -23:sc= 1.19 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 MET CE :methyl -137:sc= -3.17 (180deg=-9.08!) USER MOD Single : A 49 ASN : amide:sc= -0.57 X(o=-0.57,f=-0.45) USER MOD Single : A 51 ASN : amide:sc= -0.0403 X(o=-0.04,f=0) USER MOD Single : A 53 GLN : amide:sc= -0.303 K(o=-0.3,f=-1.9!) USER MOD Single : A 59 ASN : amide:sc= -1.28 X(o=-1.3,f=-1.5) USER MOD Single : A 62 LYS NZ :NH3+ 149:sc= -1.06 (180deg=-2.13!) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0492) USER MOD Single : A 76 GLN : amide:sc= 0 X(o=0,f=-0.075) USER MOD Single : A 77 ASN : amide:sc= -0.592 K(o=-0.59,f=-6.2!) USER MOD Single : A 81 ASN : amide:sc= -1.58! C(o=-1.6!,f=-4.1!) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 87 SER OG : rot 24:sc= 1.24 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 16.774 -21.166 28.823 1.00 0.00 N ATOM 2 CA GLY A 1 15.942 -20.764 27.704 1.00 0.00 C ATOM 3 C GLY A 1 16.448 -21.306 26.382 1.00 0.00 C ATOM 4 O GLY A 1 17.342 -22.151 26.351 1.00 0.00 O ATOM 0 H1 GLY A 1 16.190 -21.653 29.532 1.00 0.00 H new ATOM 0 H2 GLY A 1 17.520 -21.809 28.488 1.00 0.00 H new ATOM 0 H3 GLY A 1 17.209 -20.324 29.252 1.00 0.00 H new ATOM 0 HA2 GLY A 1 14.922 -21.112 27.870 1.00 0.00 H new ATOM 0 HA3 GLY A 1 15.903 -19.676 27.656 1.00 0.00 H new ATOM 8 N SER A 2 15.873 -20.819 25.286 1.00 0.00 N ATOM 9 CA SER A 2 16.267 -21.264 23.955 1.00 0.00 C ATOM 10 C SER A 2 16.826 -20.104 23.137 1.00 0.00 C ATOM 11 O SER A 2 16.533 -18.940 23.411 1.00 0.00 O ATOM 12 CB SER A 2 15.074 -21.887 23.228 1.00 0.00 C ATOM 13 OG SER A 2 15.497 -22.882 22.312 1.00 0.00 O ATOM 0 H SER A 2 15.133 -20.117 25.294 1.00 0.00 H new ATOM 0 HA SER A 2 17.048 -22.016 24.067 1.00 0.00 H new ATOM 0 HB2 SER A 2 14.390 -22.325 23.955 1.00 0.00 H new ATOM 0 HB3 SER A 2 14.522 -21.111 22.698 1.00 0.00 H new ATOM 0 HG SER A 2 14.716 -23.266 21.862 1.00 0.00 H new ATOM 19 N SER A 3 17.632 -20.430 22.132 1.00 0.00 N ATOM 20 CA SER A 3 18.236 -19.415 21.276 1.00 0.00 C ATOM 21 C SER A 3 17.259 -18.967 20.193 1.00 0.00 C ATOM 22 O SER A 3 16.976 -17.778 20.050 1.00 0.00 O ATOM 23 CB SER A 3 19.515 -19.955 20.633 1.00 0.00 C ATOM 24 OG SER A 3 19.277 -21.194 19.987 1.00 0.00 O ATOM 0 H SER A 3 17.882 -21.389 21.890 1.00 0.00 H new ATOM 0 HA SER A 3 18.485 -18.554 21.896 1.00 0.00 H new ATOM 0 HB2 SER A 3 19.896 -19.232 19.911 1.00 0.00 H new ATOM 0 HB3 SER A 3 20.284 -20.080 21.395 1.00 0.00 H new ATOM 0 HG SER A 3 20.109 -21.517 19.583 1.00 0.00 H new ATOM 30 N GLY A 4 16.746 -19.929 19.432 1.00 0.00 N ATOM 31 CA GLY A 4 15.806 -19.615 18.372 1.00 0.00 C ATOM 32 C GLY A 4 15.876 -20.602 17.224 1.00 0.00 C ATOM 33 O GLY A 4 16.708 -21.509 17.226 1.00 0.00 O ATOM 0 H GLY A 4 16.965 -20.920 19.531 1.00 0.00 H new ATOM 0 HA2 GLY A 4 14.795 -19.606 18.778 1.00 0.00 H new ATOM 0 HA3 GLY A 4 16.008 -18.612 17.997 1.00 0.00 H new ATOM 37 N SER A 5 14.997 -20.429 16.242 1.00 0.00 N ATOM 38 CA SER A 5 14.958 -21.316 15.085 1.00 0.00 C ATOM 39 C SER A 5 14.488 -20.567 13.842 1.00 0.00 C ATOM 40 O SER A 5 13.854 -19.516 13.939 1.00 0.00 O ATOM 41 CB SER A 5 14.034 -22.504 15.358 1.00 0.00 C ATOM 42 OG SER A 5 14.485 -23.255 16.472 1.00 0.00 O ATOM 0 H SER A 5 14.302 -19.683 16.224 1.00 0.00 H new ATOM 0 HA SER A 5 15.968 -21.684 14.906 1.00 0.00 H new ATOM 0 HB2 SER A 5 13.021 -22.146 15.543 1.00 0.00 H new ATOM 0 HB3 SER A 5 13.990 -23.145 14.477 1.00 0.00 H new ATOM 0 HG SER A 5 13.877 -24.008 16.627 1.00 0.00 H new ATOM 48 N SER A 6 14.805 -21.115 12.673 1.00 0.00 N ATOM 49 CA SER A 6 14.420 -20.498 11.410 1.00 0.00 C ATOM 50 C SER A 6 13.329 -21.311 10.718 1.00 0.00 C ATOM 51 O SER A 6 13.196 -22.513 10.947 1.00 0.00 O ATOM 52 CB SER A 6 15.635 -20.368 10.490 1.00 0.00 C ATOM 53 OG SER A 6 16.597 -19.483 11.037 1.00 0.00 O ATOM 0 H SER A 6 15.328 -21.985 12.575 1.00 0.00 H new ATOM 0 HA SER A 6 14.028 -19.504 11.625 1.00 0.00 H new ATOM 0 HB2 SER A 6 16.085 -21.349 10.336 1.00 0.00 H new ATOM 0 HB3 SER A 6 15.318 -20.006 9.512 1.00 0.00 H new ATOM 0 HG SER A 6 17.364 -19.419 10.431 1.00 0.00 H new ATOM 59 N GLY A 7 12.551 -20.645 9.871 1.00 0.00 N ATOM 60 CA GLY A 7 11.481 -21.320 9.159 1.00 0.00 C ATOM 61 C GLY A 7 11.189 -20.686 7.814 1.00 0.00 C ATOM 62 O GLY A 7 11.839 -19.724 7.403 1.00 0.00 O ATOM 0 H GLY A 7 12.642 -19.650 9.665 1.00 0.00 H new ATOM 0 HA2 GLY A 7 11.749 -22.366 9.013 1.00 0.00 H new ATOM 0 HA3 GLY A 7 10.577 -21.305 9.768 1.00 0.00 H new ATOM 66 N PRO A 8 10.191 -21.230 7.103 1.00 0.00 N ATOM 67 CA PRO A 8 9.792 -20.727 5.785 1.00 0.00 C ATOM 68 C PRO A 8 9.121 -19.360 5.864 1.00 0.00 C ATOM 69 O PRO A 8 8.710 -18.920 6.939 1.00 0.00 O ATOM 70 CB PRO A 8 8.800 -21.781 5.288 1.00 0.00 C ATOM 71 CG PRO A 8 8.253 -22.401 6.528 1.00 0.00 C ATOM 72 CD PRO A 8 9.374 -22.378 7.531 1.00 0.00 C ATOM 0 HA PRO A 8 10.649 -20.585 5.127 1.00 0.00 H new ATOM 0 HB2 PRO A 8 8.009 -21.329 4.689 1.00 0.00 H new ATOM 0 HB3 PRO A 8 9.292 -22.522 4.659 1.00 0.00 H new ATOM 0 HG2 PRO A 8 7.390 -21.845 6.894 1.00 0.00 H new ATOM 0 HG3 PRO A 8 7.919 -23.421 6.340 1.00 0.00 H new ATOM 0 HD2 PRO A 8 9.001 -22.249 8.547 1.00 0.00 H new ATOM 0 HD3 PRO A 8 9.946 -23.306 7.516 1.00 0.00 H new ATOM 80 N LEU A 9 9.013 -18.692 4.721 1.00 0.00 N ATOM 81 CA LEU A 9 8.391 -17.374 4.662 1.00 0.00 C ATOM 82 C LEU A 9 6.900 -17.488 4.360 1.00 0.00 C ATOM 83 O LEU A 9 6.459 -18.355 3.604 1.00 0.00 O ATOM 84 CB LEU A 9 9.074 -16.514 3.597 1.00 0.00 C ATOM 85 CG LEU A 9 10.486 -16.030 3.929 1.00 0.00 C ATOM 86 CD1 LEU A 9 11.257 -15.720 2.655 1.00 0.00 C ATOM 87 CD2 LEU A 9 10.431 -14.806 4.832 1.00 0.00 C ATOM 0 H LEU A 9 9.348 -19.041 3.823 1.00 0.00 H new ATOM 0 HA LEU A 9 8.510 -16.899 5.636 1.00 0.00 H new ATOM 0 HB2 LEU A 9 9.116 -17.085 2.670 1.00 0.00 H new ATOM 0 HB3 LEU A 9 8.448 -15.642 3.406 1.00 0.00 H new ATOM 0 HG LEU A 9 11.007 -16.826 4.460 1.00 0.00 H new ATOM 0 HD11 LEU A 9 12.260 -15.377 2.911 1.00 0.00 H new ATOM 0 HD12 LEU A 9 11.326 -16.620 2.044 1.00 0.00 H new ATOM 0 HD13 LEU A 9 10.738 -14.941 2.096 1.00 0.00 H new ATOM 0 HD21 LEU A 9 11.445 -14.475 5.058 1.00 0.00 H new ATOM 0 HD22 LEU A 9 9.892 -14.005 4.326 1.00 0.00 H new ATOM 0 HD23 LEU A 9 9.917 -15.060 5.759 1.00 0.00 H new ATOM 99 N PRO A 10 6.104 -16.593 4.962 1.00 0.00 N ATOM 100 CA PRO A 10 4.650 -16.571 4.771 1.00 0.00 C ATOM 101 C PRO A 10 4.257 -16.123 3.367 1.00 0.00 C ATOM 102 O PRO A 10 3.077 -16.115 3.016 1.00 0.00 O ATOM 103 CB PRO A 10 4.171 -15.555 5.810 1.00 0.00 C ATOM 104 CG PRO A 10 5.343 -14.664 6.038 1.00 0.00 C ATOM 105 CD PRO A 10 6.561 -15.532 5.876 1.00 0.00 C ATOM 0 HA PRO A 10 4.208 -17.561 4.888 1.00 0.00 H new ATOM 0 HB2 PRO A 10 3.311 -14.993 5.446 1.00 0.00 H new ATOM 0 HB3 PRO A 10 3.863 -16.047 6.732 1.00 0.00 H new ATOM 0 HG2 PRO A 10 5.352 -13.841 5.323 1.00 0.00 H new ATOM 0 HG3 PRO A 10 5.309 -14.221 7.033 1.00 0.00 H new ATOM 0 HD2 PRO A 10 7.399 -14.975 5.458 1.00 0.00 H new ATOM 0 HD3 PRO A 10 6.894 -15.940 6.831 1.00 0.00 H new ATOM 113 N SER A 11 5.253 -15.752 2.569 1.00 0.00 N ATOM 114 CA SER A 11 5.009 -15.300 1.204 1.00 0.00 C ATOM 115 C SER A 11 3.946 -16.160 0.528 1.00 0.00 C ATOM 116 O SER A 11 4.209 -17.295 0.129 1.00 0.00 O ATOM 117 CB SER A 11 6.306 -15.341 0.392 1.00 0.00 C ATOM 118 OG SER A 11 6.154 -14.668 -0.846 1.00 0.00 O ATOM 0 H SER A 11 6.235 -15.755 2.844 1.00 0.00 H new ATOM 0 HA SER A 11 4.647 -14.273 1.247 1.00 0.00 H new ATOM 0 HB2 SER A 11 7.111 -14.880 0.964 1.00 0.00 H new ATOM 0 HB3 SER A 11 6.594 -16.377 0.213 1.00 0.00 H new ATOM 0 HG SER A 11 6.997 -14.707 -1.345 1.00 0.00 H new ATOM 124 N THR A 12 2.742 -15.611 0.402 1.00 0.00 N ATOM 125 CA THR A 12 1.637 -16.326 -0.224 1.00 0.00 C ATOM 126 C THR A 12 1.946 -16.647 -1.682 1.00 0.00 C ATOM 127 O THR A 12 2.889 -16.107 -2.259 1.00 0.00 O ATOM 128 CB THR A 12 0.330 -15.513 -0.155 1.00 0.00 C ATOM 129 OG1 THR A 12 -0.736 -16.246 -0.767 1.00 0.00 O ATOM 130 CG2 THR A 12 0.492 -14.169 -0.848 1.00 0.00 C ATOM 0 H THR A 12 2.507 -14.673 0.726 1.00 0.00 H new ATOM 0 HA THR A 12 1.507 -17.255 0.331 1.00 0.00 H new ATOM 0 HB THR A 12 0.093 -15.337 0.894 1.00 0.00 H new ATOM 0 HG1 THR A 12 -1.563 -15.723 -0.717 1.00 0.00 H new ATOM 0 HG21 THR A 12 -0.443 -13.613 -0.786 1.00 0.00 H new ATOM 0 HG22 THR A 12 1.284 -13.601 -0.360 1.00 0.00 H new ATOM 0 HG23 THR A 12 0.751 -14.328 -1.895 1.00 0.00 H new ATOM 138 N GLN A 13 1.144 -17.528 -2.271 1.00 0.00 N ATOM 139 CA GLN A 13 1.333 -17.921 -3.662 1.00 0.00 C ATOM 140 C GLN A 13 1.273 -16.707 -4.583 1.00 0.00 C ATOM 141 O GLN A 13 2.276 -16.318 -5.180 1.00 0.00 O ATOM 142 CB GLN A 13 0.272 -18.942 -4.075 1.00 0.00 C ATOM 143 CG GLN A 13 0.654 -20.379 -3.757 1.00 0.00 C ATOM 144 CD GLN A 13 1.426 -21.040 -4.882 1.00 0.00 C ATOM 145 OE1 GLN A 13 2.377 -20.469 -5.417 1.00 0.00 O ATOM 146 NE2 GLN A 13 1.019 -22.250 -5.248 1.00 0.00 N ATOM 0 H GLN A 13 0.358 -17.983 -1.807 1.00 0.00 H new ATOM 0 HA GLN A 13 2.319 -18.376 -3.754 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -0.665 -18.704 -3.571 1.00 0.00 H new ATOM 0 HB3 GLN A 13 0.090 -18.852 -5.146 1.00 0.00 H new ATOM 0 HG2 GLN A 13 1.256 -20.398 -2.848 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -0.249 -20.955 -3.554 1.00 0.00 H new ATOM 0 HE21 GLN A 13 0.226 -22.686 -4.777 1.00 0.00 H new ATOM 0 HE22 GLN A 13 1.499 -22.744 -6.000 1.00 0.00 H new ATOM 155 N ASN A 14 0.089 -16.113 -4.694 1.00 0.00 N ATOM 156 CA ASN A 14 -0.102 -14.943 -5.544 1.00 0.00 C ATOM 157 C ASN A 14 0.939 -13.871 -5.236 1.00 0.00 C ATOM 158 O ASN A 14 1.825 -14.071 -4.407 1.00 0.00 O ATOM 159 CB ASN A 14 -1.509 -14.372 -5.353 1.00 0.00 C ATOM 160 CG ASN A 14 -1.650 -13.604 -4.053 1.00 0.00 C ATOM 161 OD1 ASN A 14 -0.828 -12.743 -3.736 1.00 0.00 O ATOM 162 ND2 ASN A 14 -2.695 -13.912 -3.293 1.00 0.00 N ATOM 0 H ASN A 14 -0.752 -16.422 -4.206 1.00 0.00 H new ATOM 0 HA ASN A 14 0.019 -15.255 -6.581 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -1.747 -13.714 -6.188 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -2.234 -15.186 -5.372 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -2.842 -13.428 -2.407 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -3.351 -14.632 -3.595 1.00 0.00 H new ATOM 169 N GLY A 15 0.825 -12.731 -5.912 1.00 0.00 N ATOM 170 CA GLY A 15 1.762 -11.644 -5.697 1.00 0.00 C ATOM 171 C GLY A 15 1.100 -10.416 -5.104 1.00 0.00 C ATOM 172 O GLY A 15 -0.057 -10.110 -5.390 1.00 0.00 O ATOM 0 H GLY A 15 0.100 -12.541 -6.604 1.00 0.00 H new ATOM 0 HA2 GLY A 15 2.558 -11.981 -5.032 1.00 0.00 H new ATOM 0 HA3 GLY A 15 2.230 -11.379 -6.645 1.00 0.00 H new ATOM 176 N PRO A 16 1.843 -9.691 -4.255 1.00 0.00 N ATOM 177 CA PRO A 16 1.340 -8.478 -3.601 1.00 0.00 C ATOM 178 C PRO A 16 1.158 -7.325 -4.581 1.00 0.00 C ATOM 179 O PRO A 16 1.775 -7.298 -5.646 1.00 0.00 O ATOM 180 CB PRO A 16 2.433 -8.146 -2.582 1.00 0.00 C ATOM 181 CG PRO A 16 3.671 -8.757 -3.142 1.00 0.00 C ATOM 182 CD PRO A 16 3.230 -9.998 -3.867 1.00 0.00 C ATOM 0 HA PRO A 16 0.356 -8.632 -3.157 1.00 0.00 H new ATOM 0 HB2 PRO A 16 2.544 -7.069 -2.458 1.00 0.00 H new ATOM 0 HB3 PRO A 16 2.197 -8.557 -1.601 1.00 0.00 H new ATOM 0 HG2 PRO A 16 4.174 -8.067 -3.820 1.00 0.00 H new ATOM 0 HG3 PRO A 16 4.379 -8.999 -2.350 1.00 0.00 H new ATOM 0 HD2 PRO A 16 3.856 -10.199 -4.737 1.00 0.00 H new ATOM 0 HD3 PRO A 16 3.283 -10.878 -3.226 1.00 0.00 H new ATOM 190 N VAL A 17 0.306 -6.372 -4.215 1.00 0.00 N ATOM 191 CA VAL A 17 0.043 -5.215 -5.062 1.00 0.00 C ATOM 192 C VAL A 17 0.925 -4.035 -4.669 1.00 0.00 C ATOM 193 O VAL A 17 0.944 -3.619 -3.510 1.00 0.00 O ATOM 194 CB VAL A 17 -1.434 -4.786 -4.984 1.00 0.00 C ATOM 195 CG1 VAL A 17 -1.664 -3.515 -5.787 1.00 0.00 C ATOM 196 CG2 VAL A 17 -2.340 -5.906 -5.472 1.00 0.00 C ATOM 0 H VAL A 17 -0.214 -6.379 -3.337 1.00 0.00 H new ATOM 0 HA VAL A 17 0.273 -5.513 -6.085 1.00 0.00 H new ATOM 0 HB VAL A 17 -1.680 -4.578 -3.943 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -2.713 -3.227 -5.720 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -1.042 -2.714 -5.387 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -1.402 -3.691 -6.830 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -3.380 -5.586 -5.410 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -2.096 -6.147 -6.507 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -2.195 -6.789 -4.850 1.00 0.00 H new ATOM 206 N PHE A 18 1.655 -3.499 -5.641 1.00 0.00 N ATOM 207 CA PHE A 18 2.540 -2.366 -5.397 1.00 0.00 C ATOM 208 C PHE A 18 1.946 -1.079 -5.964 1.00 0.00 C ATOM 209 O PHE A 18 1.454 -1.054 -7.091 1.00 0.00 O ATOM 210 CB PHE A 18 3.915 -2.623 -6.018 1.00 0.00 C ATOM 211 CG PHE A 18 4.684 -3.720 -5.339 1.00 0.00 C ATOM 212 CD1 PHE A 18 4.966 -3.650 -3.984 1.00 0.00 C ATOM 213 CD2 PHE A 18 5.124 -4.821 -6.055 1.00 0.00 C ATOM 214 CE1 PHE A 18 5.673 -4.658 -3.356 1.00 0.00 C ATOM 215 CE2 PHE A 18 5.831 -5.832 -5.433 1.00 0.00 C ATOM 216 CZ PHE A 18 6.107 -5.750 -4.082 1.00 0.00 C ATOM 0 H PHE A 18 1.651 -3.831 -6.605 1.00 0.00 H new ATOM 0 HA PHE A 18 2.651 -2.250 -4.319 1.00 0.00 H new ATOM 0 HB2 PHE A 18 3.788 -2.877 -7.070 1.00 0.00 H new ATOM 0 HB3 PHE A 18 4.499 -1.704 -5.980 1.00 0.00 H new ATOM 0 HD1 PHE A 18 4.629 -2.798 -3.412 1.00 0.00 H new ATOM 0 HD2 PHE A 18 4.912 -4.890 -7.112 1.00 0.00 H new ATOM 0 HE1 PHE A 18 5.886 -4.592 -2.299 1.00 0.00 H new ATOM 0 HE2 PHE A 18 6.168 -6.686 -6.003 1.00 0.00 H new ATOM 0 HZ PHE A 18 6.661 -6.538 -3.594 1.00 0.00 H new ATOM 226 N ALA A 19 1.995 -0.013 -5.172 1.00 0.00 N ATOM 227 CA ALA A 19 1.464 1.277 -5.594 1.00 0.00 C ATOM 228 C ALA A 19 2.402 2.413 -5.199 1.00 0.00 C ATOM 229 O ALA A 19 2.841 2.499 -4.052 1.00 0.00 O ATOM 230 CB ALA A 19 0.082 1.499 -4.998 1.00 0.00 C ATOM 0 H ALA A 19 2.397 -0.017 -4.235 1.00 0.00 H new ATOM 0 HA ALA A 19 1.382 1.271 -6.681 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -0.303 2.466 -5.321 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -0.590 0.710 -5.335 1.00 0.00 H new ATOM 0 HB3 ALA A 19 0.148 1.480 -3.910 1.00 0.00 H new ATOM 236 N LYS A 20 2.706 3.283 -6.156 1.00 0.00 N ATOM 237 CA LYS A 20 3.591 4.414 -5.908 1.00 0.00 C ATOM 238 C LYS A 20 2.807 5.616 -5.392 1.00 0.00 C ATOM 239 O LYS A 20 1.817 6.029 -5.996 1.00 0.00 O ATOM 240 CB LYS A 20 4.340 4.792 -7.189 1.00 0.00 C ATOM 241 CG LYS A 20 5.276 5.976 -7.019 1.00 0.00 C ATOM 242 CD LYS A 20 6.100 6.220 -8.272 1.00 0.00 C ATOM 243 CE LYS A 20 7.304 7.104 -7.985 1.00 0.00 C ATOM 244 NZ LYS A 20 7.927 7.616 -9.237 1.00 0.00 N ATOM 0 H LYS A 20 2.352 3.226 -7.111 1.00 0.00 H new ATOM 0 HA LYS A 20 4.312 4.119 -5.146 1.00 0.00 H new ATOM 0 HB2 LYS A 20 4.915 3.931 -7.531 1.00 0.00 H new ATOM 0 HB3 LYS A 20 3.615 5.022 -7.970 1.00 0.00 H new ATOM 0 HG2 LYS A 20 4.696 6.869 -6.784 1.00 0.00 H new ATOM 0 HG3 LYS A 20 5.941 5.797 -6.174 1.00 0.00 H new ATOM 0 HD2 LYS A 20 6.436 5.266 -8.679 1.00 0.00 H new ATOM 0 HD3 LYS A 20 5.476 6.689 -9.033 1.00 0.00 H new ATOM 0 HE2 LYS A 20 6.997 7.944 -7.362 1.00 0.00 H new ATOM 0 HE3 LYS A 20 8.043 6.539 -7.417 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 8.744 8.214 -8.999 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 8.243 6.815 -9.820 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 7.230 8.177 -9.767 1.00 0.00 H new ATOM 258 N ALA A 21 3.257 6.174 -4.273 1.00 0.00 N ATOM 259 CA ALA A 21 2.599 7.331 -3.678 1.00 0.00 C ATOM 260 C ALA A 21 2.826 8.584 -4.517 1.00 0.00 C ATOM 261 O ALA A 21 3.959 9.044 -4.667 1.00 0.00 O ATOM 262 CB ALA A 21 3.096 7.548 -2.256 1.00 0.00 C ATOM 0 H ALA A 21 4.074 5.844 -3.760 1.00 0.00 H new ATOM 0 HA ALA A 21 1.527 7.134 -3.650 1.00 0.00 H new ATOM 0 HB1 ALA A 21 2.596 8.415 -1.824 1.00 0.00 H new ATOM 0 HB2 ALA A 21 2.876 6.666 -1.655 1.00 0.00 H new ATOM 0 HB3 ALA A 21 4.172 7.719 -2.269 1.00 0.00 H new ATOM 268 N ILE A 22 1.745 9.130 -5.061 1.00 0.00 N ATOM 269 CA ILE A 22 1.828 10.330 -5.884 1.00 0.00 C ATOM 270 C ILE A 22 1.697 11.590 -5.035 1.00 0.00 C ATOM 271 O ILE A 22 2.206 12.650 -5.397 1.00 0.00 O ATOM 272 CB ILE A 22 0.738 10.343 -6.972 1.00 0.00 C ATOM 273 CG1 ILE A 22 -0.652 10.335 -6.333 1.00 0.00 C ATOM 274 CG2 ILE A 22 0.905 9.151 -7.904 1.00 0.00 C ATOM 275 CD1 ILE A 22 -1.720 10.964 -7.200 1.00 0.00 C ATOM 0 H ILE A 22 0.801 8.761 -4.947 1.00 0.00 H new ATOM 0 HA ILE A 22 2.808 10.317 -6.362 1.00 0.00 H new ATOM 0 HB ILE A 22 0.842 11.256 -7.558 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -0.935 9.306 -6.111 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -0.609 10.866 -5.382 1.00 0.00 H new ATOM 0 HG21 ILE A 22 0.127 9.174 -8.667 1.00 0.00 H new ATOM 0 HG22 ILE A 22 1.884 9.197 -8.382 1.00 0.00 H new ATOM 0 HG23 ILE A 22 0.824 8.227 -7.331 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -2.679 10.923 -6.683 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -1.460 12.003 -7.401 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -1.792 10.420 -8.142 1.00 0.00 H new ATOM 287 N GLN A 23 1.012 11.465 -3.903 1.00 0.00 N ATOM 288 CA GLN A 23 0.815 12.594 -3.001 1.00 0.00 C ATOM 289 C GLN A 23 1.475 12.333 -1.651 1.00 0.00 C ATOM 290 O GLN A 23 1.835 11.200 -1.332 1.00 0.00 O ATOM 291 CB GLN A 23 -0.678 12.866 -2.809 1.00 0.00 C ATOM 292 CG GLN A 23 -1.000 14.326 -2.535 1.00 0.00 C ATOM 293 CD GLN A 23 -0.883 14.685 -1.067 1.00 0.00 C ATOM 294 OE1 GLN A 23 -1.429 13.998 -0.203 1.00 0.00 O ATOM 295 NE2 GLN A 23 -0.168 15.766 -0.776 1.00 0.00 N ATOM 0 H GLN A 23 0.584 10.594 -3.589 1.00 0.00 H new ATOM 0 HA GLN A 23 1.282 13.471 -3.449 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -1.215 12.546 -3.702 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -1.046 12.260 -1.981 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -0.326 14.957 -3.114 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -2.012 14.541 -2.878 1.00 0.00 H new ATOM 0 HE21 GLN A 23 0.267 16.306 -1.524 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -0.054 16.056 0.195 1.00 0.00 H new ATOM 304 N LYS A 24 1.631 13.390 -0.860 1.00 0.00 N ATOM 305 CA LYS A 24 2.246 13.277 0.457 1.00 0.00 C ATOM 306 C LYS A 24 1.186 13.116 1.541 1.00 0.00 C ATOM 307 O LYS A 24 0.393 14.025 1.786 1.00 0.00 O ATOM 308 CB LYS A 24 3.106 14.509 0.748 1.00 0.00 C ATOM 309 CG LYS A 24 4.067 14.319 1.909 1.00 0.00 C ATOM 310 CD LYS A 24 5.003 15.507 2.058 1.00 0.00 C ATOM 311 CE LYS A 24 4.281 16.715 2.635 1.00 0.00 C ATOM 312 NZ LYS A 24 4.342 16.740 4.122 1.00 0.00 N ATOM 0 H LYS A 24 1.339 14.335 -1.109 1.00 0.00 H new ATOM 0 HA LYS A 24 2.880 12.390 0.460 1.00 0.00 H new ATOM 0 HB2 LYS A 24 3.675 14.764 -0.146 1.00 0.00 H new ATOM 0 HB3 LYS A 24 2.453 15.355 0.962 1.00 0.00 H new ATOM 0 HG2 LYS A 24 3.502 14.182 2.831 1.00 0.00 H new ATOM 0 HG3 LYS A 24 4.651 13.412 1.755 1.00 0.00 H new ATOM 0 HD2 LYS A 24 5.837 15.236 2.706 1.00 0.00 H new ATOM 0 HD3 LYS A 24 5.425 15.764 1.086 1.00 0.00 H new ATOM 0 HE2 LYS A 24 4.726 17.628 2.238 1.00 0.00 H new ATOM 0 HE3 LYS A 24 3.239 16.703 2.315 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 3.517 17.253 4.495 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 4.338 15.766 4.486 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 5.214 17.219 4.426 1.00 0.00 H new ATOM 326 N ARG A 25 1.178 11.955 2.187 1.00 0.00 N ATOM 327 CA ARG A 25 0.215 11.676 3.246 1.00 0.00 C ATOM 328 C ARG A 25 0.876 11.759 4.618 1.00 0.00 C ATOM 329 O ARG A 25 1.855 11.064 4.890 1.00 0.00 O ATOM 330 CB ARG A 25 -0.405 10.291 3.049 1.00 0.00 C ATOM 331 CG ARG A 25 -1.626 10.041 3.919 1.00 0.00 C ATOM 332 CD ARG A 25 -2.816 10.870 3.461 1.00 0.00 C ATOM 333 NE ARG A 25 -3.996 10.636 4.289 1.00 0.00 N ATOM 334 CZ ARG A 25 -5.163 11.239 4.091 1.00 0.00 C ATOM 335 NH1 ARG A 25 -5.305 12.106 3.098 1.00 0.00 N ATOM 336 NH2 ARG A 25 -6.191 10.974 4.886 1.00 0.00 N ATOM 0 H ARG A 25 1.827 11.192 1.996 1.00 0.00 H new ATOM 0 HA ARG A 25 -0.571 12.429 3.195 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -0.685 10.173 2.002 1.00 0.00 H new ATOM 0 HB3 ARG A 25 0.346 9.532 3.265 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -1.885 8.983 3.889 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -1.391 10.282 4.956 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -2.555 11.928 3.493 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -3.048 10.630 2.423 1.00 0.00 H new ATOM 0 HE ARG A 25 -3.920 9.974 5.061 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -4.517 12.311 2.484 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -6.202 12.568 2.948 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -6.086 10.307 5.650 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -7.087 11.438 4.733 1.00 0.00 H new ATOM 350 N VAL A 26 0.334 12.614 5.480 1.00 0.00 N ATOM 351 CA VAL A 26 0.871 12.788 6.824 1.00 0.00 C ATOM 352 C VAL A 26 -0.193 12.512 7.881 1.00 0.00 C ATOM 353 O VAL A 26 -1.293 13.063 7.848 1.00 0.00 O ATOM 354 CB VAL A 26 1.424 14.211 7.028 1.00 0.00 C ATOM 355 CG1 VAL A 26 2.499 14.519 5.998 1.00 0.00 C ATOM 356 CG2 VAL A 26 0.300 15.234 6.960 1.00 0.00 C ATOM 0 H VAL A 26 -0.477 13.197 5.271 1.00 0.00 H new ATOM 0 HA VAL A 26 1.684 12.071 6.935 1.00 0.00 H new ATOM 0 HB VAL A 26 1.877 14.268 8.018 1.00 0.00 H new ATOM 0 HG11 VAL A 26 2.878 15.529 6.158 1.00 0.00 H new ATOM 0 HG12 VAL A 26 3.316 13.805 6.100 1.00 0.00 H new ATOM 0 HG13 VAL A 26 2.075 14.445 4.996 1.00 0.00 H new ATOM 0 HG21 VAL A 26 0.709 16.234 7.106 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -0.184 15.179 5.985 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -0.431 15.023 7.740 1.00 0.00 H new ATOM 366 N PRO A 27 0.140 11.637 8.842 1.00 0.00 N ATOM 367 CA PRO A 27 -0.773 11.268 9.927 1.00 0.00 C ATOM 368 C PRO A 27 -0.998 12.413 10.910 1.00 0.00 C ATOM 369 O PRO A 27 -0.200 13.348 10.980 1.00 0.00 O ATOM 370 CB PRO A 27 -0.054 10.106 10.616 1.00 0.00 C ATOM 371 CG PRO A 27 1.389 10.318 10.310 1.00 0.00 C ATOM 372 CD PRO A 27 1.434 10.942 8.943 1.00 0.00 C ATOM 0 HA PRO A 27 -1.765 11.013 9.555 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -0.235 10.110 11.691 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -0.402 9.145 10.237 1.00 0.00 H new ATOM 0 HG2 PRO A 27 1.854 10.968 11.051 1.00 0.00 H new ATOM 0 HG3 PRO A 27 1.934 9.374 10.327 1.00 0.00 H new ATOM 0 HD2 PRO A 27 2.270 11.634 8.845 1.00 0.00 H new ATOM 0 HD3 PRO A 27 1.548 10.190 8.162 1.00 0.00 H new ATOM 380 N CYS A 28 -2.086 12.331 11.666 1.00 0.00 N ATOM 381 CA CYS A 28 -2.416 13.361 12.646 1.00 0.00 C ATOM 382 C CYS A 28 -1.811 13.031 14.006 1.00 0.00 C ATOM 383 O CYS A 28 -1.328 11.921 14.229 1.00 0.00 O ATOM 384 CB CYS A 28 -3.933 13.509 12.771 1.00 0.00 C ATOM 385 SG CYS A 28 -4.664 14.652 11.576 1.00 0.00 S ATOM 0 H CYS A 28 -2.755 11.563 11.620 1.00 0.00 H new ATOM 0 HA CYS A 28 -1.994 14.305 12.300 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -4.394 12.529 12.649 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -4.172 13.851 13.778 1.00 0.00 H new ATOM 0 HG CYS A 28 -5.950 14.708 11.760 1.00 0.00 H new ATOM 391 N ALA A 29 -1.839 14.003 14.912 1.00 0.00 N ATOM 392 CA ALA A 29 -1.294 13.815 16.251 1.00 0.00 C ATOM 393 C ALA A 29 -2.044 12.719 17.000 1.00 0.00 C ATOM 394 O ALA A 29 -1.438 11.906 17.699 1.00 0.00 O ATOM 395 CB ALA A 29 -1.348 15.121 17.030 1.00 0.00 C ATOM 0 H ALA A 29 -2.233 14.928 14.743 1.00 0.00 H new ATOM 0 HA ALA A 29 -0.254 13.505 16.153 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -0.938 14.967 18.028 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -0.762 15.879 16.510 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -2.383 15.454 17.110 1.00 0.00 H new ATOM 401 N TYR A 30 -3.363 12.703 16.851 1.00 0.00 N ATOM 402 CA TYR A 30 -4.196 11.708 17.516 1.00 0.00 C ATOM 403 C TYR A 30 -4.672 10.647 16.528 1.00 0.00 C ATOM 404 O TYR A 30 -5.829 10.229 16.559 1.00 0.00 O ATOM 405 CB TYR A 30 -5.399 12.380 18.179 1.00 0.00 C ATOM 406 CG TYR A 30 -6.212 13.236 17.234 1.00 0.00 C ATOM 407 CD1 TYR A 30 -5.749 14.478 16.818 1.00 0.00 C ATOM 408 CD2 TYR A 30 -7.442 12.801 16.756 1.00 0.00 C ATOM 409 CE1 TYR A 30 -6.489 15.263 15.955 1.00 0.00 C ATOM 410 CE2 TYR A 30 -8.188 13.579 15.892 1.00 0.00 C ATOM 411 CZ TYR A 30 -7.707 14.809 15.495 1.00 0.00 C ATOM 412 OH TYR A 30 -8.446 15.588 14.634 1.00 0.00 O ATOM 0 H TYR A 30 -3.879 13.368 16.275 1.00 0.00 H new ATOM 0 HA TYR A 30 -3.593 11.220 18.282 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -6.044 11.612 18.606 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -5.049 12.998 19.006 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -4.795 14.836 17.175 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -7.821 11.838 17.065 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -6.116 16.227 15.642 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -9.142 13.226 15.530 1.00 0.00 H new ATOM 0 HH TYR A 30 -9.277 15.123 14.404 1.00 0.00 H new ATOM 422 N ASP A 31 -3.771 10.217 15.652 1.00 0.00 N ATOM 423 CA ASP A 31 -4.096 9.204 14.655 1.00 0.00 C ATOM 424 C ASP A 31 -2.996 8.150 14.572 1.00 0.00 C ATOM 425 O ASP A 31 -2.125 8.213 13.704 1.00 0.00 O ATOM 426 CB ASP A 31 -4.302 9.853 13.286 1.00 0.00 C ATOM 427 CG ASP A 31 -5.053 8.952 12.325 1.00 0.00 C ATOM 428 OD1 ASP A 31 -5.423 7.830 12.730 1.00 0.00 O ATOM 429 OD2 ASP A 31 -5.270 9.368 11.168 1.00 0.00 O ATOM 0 H ASP A 31 -2.809 10.554 15.612 1.00 0.00 H new ATOM 0 HA ASP A 31 -5.021 8.714 14.959 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -4.851 10.786 13.409 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -3.332 10.108 12.858 1.00 0.00 H new ATOM 434 N LYS A 32 -3.041 7.182 15.481 1.00 0.00 N ATOM 435 CA LYS A 32 -2.049 6.114 15.512 1.00 0.00 C ATOM 436 C LYS A 32 -2.405 5.012 14.518 1.00 0.00 C ATOM 437 O LYS A 32 -1.929 3.882 14.631 1.00 0.00 O ATOM 438 CB LYS A 32 -1.943 5.528 16.922 1.00 0.00 C ATOM 439 CG LYS A 32 -3.072 4.574 17.271 1.00 0.00 C ATOM 440 CD LYS A 32 -4.360 5.322 17.576 1.00 0.00 C ATOM 441 CE LYS A 32 -5.236 5.451 16.339 1.00 0.00 C ATOM 442 NZ LYS A 32 -6.149 6.624 16.426 1.00 0.00 N ATOM 0 H LYS A 32 -3.755 7.115 16.207 1.00 0.00 H new ATOM 0 HA LYS A 32 -1.086 6.539 15.228 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -0.993 5.003 17.018 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -1.931 6.343 17.645 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -3.237 3.886 16.442 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -2.787 3.972 18.134 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -4.909 4.799 18.359 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -4.124 6.314 17.961 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -4.605 5.547 15.455 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -5.824 4.542 16.214 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -6.500 6.862 15.476 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -6.953 6.393 17.045 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -5.633 7.437 16.818 1.00 0.00 H new ATOM 456 N THR A 33 -3.244 5.349 13.543 1.00 0.00 N ATOM 457 CA THR A 33 -3.663 4.390 12.529 1.00 0.00 C ATOM 458 C THR A 33 -3.360 4.904 11.127 1.00 0.00 C ATOM 459 O THR A 33 -3.343 4.137 10.164 1.00 0.00 O ATOM 460 CB THR A 33 -5.168 4.080 12.637 1.00 0.00 C ATOM 461 OG1 THR A 33 -5.931 5.261 12.366 1.00 0.00 O ATOM 462 CG2 THR A 33 -5.514 3.552 14.020 1.00 0.00 C ATOM 0 H THR A 33 -3.647 6.280 13.435 1.00 0.00 H new ATOM 0 HA THR A 33 -3.098 3.475 12.707 1.00 0.00 H new ATOM 0 HB THR A 33 -5.413 3.313 11.902 1.00 0.00 H new ATOM 0 HG1 THR A 33 -5.378 6.053 12.531 1.00 0.00 H new ATOM 0 HG21 THR A 33 -6.582 3.340 14.072 1.00 0.00 H new ATOM 0 HG22 THR A 33 -4.953 2.637 14.211 1.00 0.00 H new ATOM 0 HG23 THR A 33 -5.255 4.299 14.770 1.00 0.00 H new ATOM 470 N ALA A 34 -3.120 6.207 11.018 1.00 0.00 N ATOM 471 CA ALA A 34 -2.815 6.822 9.733 1.00 0.00 C ATOM 472 C ALA A 34 -1.354 6.604 9.352 1.00 0.00 C ATOM 473 O ALA A 34 -0.446 6.975 10.097 1.00 0.00 O ATOM 474 CB ALA A 34 -3.136 8.309 9.770 1.00 0.00 C ATOM 0 H ALA A 34 -3.131 6.856 11.805 1.00 0.00 H new ATOM 0 HA ALA A 34 -3.436 6.346 8.974 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -2.903 8.756 8.803 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -4.195 8.447 9.988 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -2.540 8.791 10.545 1.00 0.00 H new ATOM 480 N LEU A 35 -1.134 6.000 8.190 1.00 0.00 N ATOM 481 CA LEU A 35 0.217 5.732 7.711 1.00 0.00 C ATOM 482 C LEU A 35 0.803 6.959 7.019 1.00 0.00 C ATOM 483 O LEU A 35 0.131 7.616 6.224 1.00 0.00 O ATOM 484 CB LEU A 35 0.211 4.544 6.748 1.00 0.00 C ATOM 485 CG LEU A 35 1.487 3.702 6.713 1.00 0.00 C ATOM 486 CD1 LEU A 35 1.240 2.387 5.990 1.00 0.00 C ATOM 487 CD2 LEU A 35 2.618 4.474 6.049 1.00 0.00 C ATOM 0 H LEU A 35 -1.874 5.686 7.562 1.00 0.00 H new ATOM 0 HA LEU A 35 0.840 5.491 8.572 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -0.623 3.893 7.011 1.00 0.00 H new ATOM 0 HB3 LEU A 35 0.019 4.918 5.742 1.00 0.00 H new ATOM 0 HG LEU A 35 1.780 3.479 7.739 1.00 0.00 H new ATOM 0 HD11 LEU A 35 2.159 1.802 5.975 1.00 0.00 H new ATOM 0 HD12 LEU A 35 0.462 1.827 6.509 1.00 0.00 H new ATOM 0 HD13 LEU A 35 0.922 2.588 4.967 1.00 0.00 H new ATOM 0 HD21 LEU A 35 3.518 3.859 6.033 1.00 0.00 H new ATOM 0 HD22 LEU A 35 2.334 4.729 5.028 1.00 0.00 H new ATOM 0 HD23 LEU A 35 2.813 5.388 6.610 1.00 0.00 H new ATOM 499 N ALA A 36 2.061 7.260 7.325 1.00 0.00 N ATOM 500 CA ALA A 36 2.739 8.405 6.730 1.00 0.00 C ATOM 501 C ALA A 36 3.569 7.984 5.522 1.00 0.00 C ATOM 502 O ALA A 36 4.308 7.000 5.576 1.00 0.00 O ATOM 503 CB ALA A 36 3.618 9.093 7.763 1.00 0.00 C ATOM 0 H ALA A 36 2.631 6.727 7.982 1.00 0.00 H new ATOM 0 HA ALA A 36 1.980 9.109 6.389 1.00 0.00 H new ATOM 0 HB1 ALA A 36 4.118 9.946 7.305 1.00 0.00 H new ATOM 0 HB2 ALA A 36 3.002 9.437 8.594 1.00 0.00 H new ATOM 0 HB3 ALA A 36 4.365 8.390 8.132 1.00 0.00 H new ATOM 509 N LEU A 37 3.442 8.734 4.433 1.00 0.00 N ATOM 510 CA LEU A 37 4.181 8.438 3.210 1.00 0.00 C ATOM 511 C LEU A 37 4.691 9.720 2.559 1.00 0.00 C ATOM 512 O LEU A 37 4.250 10.817 2.898 1.00 0.00 O ATOM 513 CB LEU A 37 3.293 7.672 2.228 1.00 0.00 C ATOM 514 CG LEU A 37 2.604 6.423 2.779 1.00 0.00 C ATOM 515 CD1 LEU A 37 1.413 6.045 1.913 1.00 0.00 C ATOM 516 CD2 LEU A 37 3.589 5.267 2.870 1.00 0.00 C ATOM 0 H LEU A 37 2.835 9.551 4.372 1.00 0.00 H new ATOM 0 HA LEU A 37 5.039 7.820 3.473 1.00 0.00 H new ATOM 0 HB2 LEU A 37 2.526 8.352 1.857 1.00 0.00 H new ATOM 0 HB3 LEU A 37 3.901 7.379 1.372 1.00 0.00 H new ATOM 0 HG LEU A 37 2.241 6.644 3.783 1.00 0.00 H new ATOM 0 HD11 LEU A 37 0.935 5.154 2.320 1.00 0.00 H new ATOM 0 HD12 LEU A 37 0.697 6.867 1.900 1.00 0.00 H new ATOM 0 HD13 LEU A 37 1.752 5.843 0.897 1.00 0.00 H new ATOM 0 HD21 LEU A 37 3.081 4.387 3.264 1.00 0.00 H new ATOM 0 HD22 LEU A 37 3.982 5.045 1.878 1.00 0.00 H new ATOM 0 HD23 LEU A 37 4.410 5.540 3.533 1.00 0.00 H new ATOM 528 N GLU A 38 5.622 9.571 1.621 1.00 0.00 N ATOM 529 CA GLU A 38 6.191 10.717 0.922 1.00 0.00 C ATOM 530 C GLU A 38 6.187 10.490 -0.587 1.00 0.00 C ATOM 531 O GLU A 38 6.498 9.398 -1.063 1.00 0.00 O ATOM 532 CB GLU A 38 7.618 10.980 1.405 1.00 0.00 C ATOM 533 CG GLU A 38 7.686 11.641 2.772 1.00 0.00 C ATOM 534 CD GLU A 38 8.994 11.367 3.488 1.00 0.00 C ATOM 535 OE1 GLU A 38 9.477 10.217 3.424 1.00 0.00 O ATOM 536 OE2 GLU A 38 9.535 12.304 4.113 1.00 0.00 O ATOM 0 H GLU A 38 5.997 8.669 1.328 1.00 0.00 H new ATOM 0 HA GLU A 38 5.574 11.588 1.143 1.00 0.00 H new ATOM 0 HB2 GLU A 38 8.161 10.035 1.440 1.00 0.00 H new ATOM 0 HB3 GLU A 38 8.127 11.613 0.679 1.00 0.00 H new ATOM 0 HG2 GLU A 38 7.557 12.717 2.658 1.00 0.00 H new ATOM 0 HG3 GLU A 38 6.859 11.284 3.385 1.00 0.00 H new ATOM 543 N VAL A 39 5.832 11.530 -1.335 1.00 0.00 N ATOM 544 CA VAL A 39 5.787 11.446 -2.790 1.00 0.00 C ATOM 545 C VAL A 39 6.986 10.676 -3.333 1.00 0.00 C ATOM 546 O VAL A 39 8.116 11.162 -3.300 1.00 0.00 O ATOM 547 CB VAL A 39 5.756 12.845 -3.433 1.00 0.00 C ATOM 548 CG1 VAL A 39 5.890 12.742 -4.944 1.00 0.00 C ATOM 549 CG2 VAL A 39 4.479 13.578 -3.051 1.00 0.00 C ATOM 0 H VAL A 39 5.571 12.441 -0.957 1.00 0.00 H new ATOM 0 HA VAL A 39 4.870 10.916 -3.048 1.00 0.00 H new ATOM 0 HB VAL A 39 6.603 13.418 -3.056 1.00 0.00 H new ATOM 0 HG11 VAL A 39 5.866 13.741 -5.380 1.00 0.00 H new ATOM 0 HG12 VAL A 39 6.835 12.260 -5.193 1.00 0.00 H new ATOM 0 HG13 VAL A 39 5.065 12.152 -5.343 1.00 0.00 H new ATOM 0 HG21 VAL A 39 4.474 14.565 -3.514 1.00 0.00 H new ATOM 0 HG22 VAL A 39 3.616 13.010 -3.398 1.00 0.00 H new ATOM 0 HG23 VAL A 39 4.431 13.685 -1.967 1.00 0.00 H new ATOM 559 N GLY A 40 6.731 9.470 -3.833 1.00 0.00 N ATOM 560 CA GLY A 40 7.800 8.652 -4.376 1.00 0.00 C ATOM 561 C GLY A 40 8.134 7.471 -3.487 1.00 0.00 C ATOM 562 O GLY A 40 9.279 7.020 -3.448 1.00 0.00 O ATOM 0 H GLY A 40 5.804 9.046 -3.872 1.00 0.00 H new ATOM 0 HA2 GLY A 40 7.511 8.290 -5.363 1.00 0.00 H new ATOM 0 HA3 GLY A 40 8.691 9.266 -4.510 1.00 0.00 H new ATOM 566 N ASP A 41 7.134 6.969 -2.771 1.00 0.00 N ATOM 567 CA ASP A 41 7.328 5.833 -1.877 1.00 0.00 C ATOM 568 C ASP A 41 6.445 4.660 -2.290 1.00 0.00 C ATOM 569 O ASP A 41 5.284 4.844 -2.658 1.00 0.00 O ATOM 570 CB ASP A 41 7.023 6.235 -0.433 1.00 0.00 C ATOM 571 CG ASP A 41 7.835 5.443 0.572 1.00 0.00 C ATOM 572 OD1 ASP A 41 7.994 4.220 0.374 1.00 0.00 O ATOM 573 OD2 ASP A 41 8.310 6.045 1.557 1.00 0.00 O ATOM 0 H ASP A 41 6.181 7.331 -2.792 1.00 0.00 H new ATOM 0 HA ASP A 41 8.370 5.521 -1.946 1.00 0.00 H new ATOM 0 HB2 ASP A 41 7.227 7.298 -0.304 1.00 0.00 H new ATOM 0 HB3 ASP A 41 5.961 6.088 -0.235 1.00 0.00 H new ATOM 578 N ILE A 42 7.003 3.456 -2.227 1.00 0.00 N ATOM 579 CA ILE A 42 6.265 2.253 -2.594 1.00 0.00 C ATOM 580 C ILE A 42 5.528 1.672 -1.393 1.00 0.00 C ATOM 581 O ILE A 42 6.147 1.192 -0.443 1.00 0.00 O ATOM 582 CB ILE A 42 7.199 1.177 -3.179 1.00 0.00 C ATOM 583 CG1 ILE A 42 7.979 1.739 -4.369 1.00 0.00 C ATOM 584 CG2 ILE A 42 6.399 -0.049 -3.595 1.00 0.00 C ATOM 585 CD1 ILE A 42 7.116 2.024 -5.578 1.00 0.00 C ATOM 0 H ILE A 42 7.963 3.287 -1.926 1.00 0.00 H new ATOM 0 HA ILE A 42 5.541 2.546 -3.354 1.00 0.00 H new ATOM 0 HB ILE A 42 7.912 0.879 -2.410 1.00 0.00 H new ATOM 0 HG12 ILE A 42 8.478 2.659 -4.064 1.00 0.00 H new ATOM 0 HG13 ILE A 42 8.759 1.031 -4.649 1.00 0.00 H new ATOM 0 HG21 ILE A 42 7.073 -0.801 -4.007 1.00 0.00 H new ATOM 0 HG22 ILE A 42 5.884 -0.460 -2.726 1.00 0.00 H new ATOM 0 HG23 ILE A 42 5.666 0.234 -4.351 1.00 0.00 H new ATOM 0 HD11 ILE A 42 7.736 2.420 -6.382 1.00 0.00 H new ATOM 0 HD12 ILE A 42 6.637 1.102 -5.909 1.00 0.00 H new ATOM 0 HD13 ILE A 42 6.352 2.756 -5.315 1.00 0.00 H new ATOM 597 N VAL A 43 4.200 1.717 -1.442 1.00 0.00 N ATOM 598 CA VAL A 43 3.377 1.192 -0.358 1.00 0.00 C ATOM 599 C VAL A 43 2.977 -0.255 -0.624 1.00 0.00 C ATOM 600 O VAL A 43 2.074 -0.526 -1.415 1.00 0.00 O ATOM 601 CB VAL A 43 2.105 2.037 -0.161 1.00 0.00 C ATOM 602 CG1 VAL A 43 1.398 1.644 1.127 1.00 0.00 C ATOM 603 CG2 VAL A 43 2.445 3.520 -0.161 1.00 0.00 C ATOM 0 H VAL A 43 3.671 2.111 -2.220 1.00 0.00 H new ATOM 0 HA VAL A 43 3.979 1.238 0.549 1.00 0.00 H new ATOM 0 HB VAL A 43 1.428 1.843 -0.993 1.00 0.00 H new ATOM 0 HG11 VAL A 43 0.501 2.251 1.250 1.00 0.00 H new ATOM 0 HG12 VAL A 43 1.120 0.591 1.083 1.00 0.00 H new ATOM 0 HG13 VAL A 43 2.066 1.807 1.973 1.00 0.00 H new ATOM 0 HG21 VAL A 43 1.534 4.102 -0.021 1.00 0.00 H new ATOM 0 HG22 VAL A 43 3.141 3.734 0.650 1.00 0.00 H new ATOM 0 HG23 VAL A 43 2.904 3.788 -1.113 1.00 0.00 H new ATOM 613 N LYS A 44 3.655 -1.182 0.044 1.00 0.00 N ATOM 614 CA LYS A 44 3.371 -2.603 -0.117 1.00 0.00 C ATOM 615 C LYS A 44 2.202 -3.027 0.766 1.00 0.00 C ATOM 616 O LYS A 44 2.330 -3.107 1.988 1.00 0.00 O ATOM 617 CB LYS A 44 4.610 -3.434 0.225 1.00 0.00 C ATOM 618 CG LYS A 44 4.331 -4.923 0.337 1.00 0.00 C ATOM 619 CD LYS A 44 5.506 -5.666 0.951 1.00 0.00 C ATOM 620 CE LYS A 44 5.424 -7.160 0.679 1.00 0.00 C ATOM 621 NZ LYS A 44 6.237 -7.945 1.649 1.00 0.00 N ATOM 0 H LYS A 44 4.406 -0.974 0.703 1.00 0.00 H new ATOM 0 HA LYS A 44 3.100 -2.778 -1.158 1.00 0.00 H new ATOM 0 HB2 LYS A 44 5.369 -3.272 -0.540 1.00 0.00 H new ATOM 0 HB3 LYS A 44 5.027 -3.079 1.168 1.00 0.00 H new ATOM 0 HG2 LYS A 44 3.441 -5.082 0.945 1.00 0.00 H new ATOM 0 HG3 LYS A 44 4.119 -5.330 -0.652 1.00 0.00 H new ATOM 0 HD2 LYS A 44 6.438 -5.272 0.547 1.00 0.00 H new ATOM 0 HD3 LYS A 44 5.526 -5.491 2.027 1.00 0.00 H new ATOM 0 HE2 LYS A 44 4.384 -7.482 0.732 1.00 0.00 H new ATOM 0 HE3 LYS A 44 5.770 -7.364 -0.334 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 6.155 -8.958 1.430 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 7.234 -7.656 1.581 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 5.891 -7.770 2.614 1.00 0.00 H new ATOM 635 N VAL A 45 1.061 -3.300 0.140 1.00 0.00 N ATOM 636 CA VAL A 45 -0.130 -3.719 0.868 1.00 0.00 C ATOM 637 C VAL A 45 -0.437 -5.192 0.620 1.00 0.00 C ATOM 638 O VAL A 45 -0.501 -5.640 -0.525 1.00 0.00 O ATOM 639 CB VAL A 45 -1.356 -2.876 0.471 1.00 0.00 C ATOM 640 CG1 VAL A 45 -1.467 -2.775 -1.043 1.00 0.00 C ATOM 641 CG2 VAL A 45 -2.624 -3.467 1.068 1.00 0.00 C ATOM 0 H VAL A 45 0.937 -3.238 -0.871 1.00 0.00 H new ATOM 0 HA VAL A 45 0.078 -3.568 1.927 1.00 0.00 H new ATOM 0 HB VAL A 45 -1.228 -1.870 0.870 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -2.339 -2.176 -1.305 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -0.569 -2.303 -1.443 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -1.572 -3.773 -1.468 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -3.481 -2.859 0.777 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -2.760 -4.484 0.700 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -2.542 -3.482 2.155 1.00 0.00 H new ATOM 651 N THR A 46 -0.626 -5.942 1.701 1.00 0.00 N ATOM 652 CA THR A 46 -0.926 -7.365 1.601 1.00 0.00 C ATOM 653 C THR A 46 -2.360 -7.656 2.029 1.00 0.00 C ATOM 654 O THR A 46 -2.927 -8.689 1.672 1.00 0.00 O ATOM 655 CB THR A 46 0.036 -8.203 2.464 1.00 0.00 C ATOM 656 OG1 THR A 46 -0.347 -8.123 3.842 1.00 0.00 O ATOM 657 CG2 THR A 46 1.469 -7.721 2.302 1.00 0.00 C ATOM 0 H THR A 46 -0.577 -5.588 2.656 1.00 0.00 H new ATOM 0 HA THR A 46 -0.799 -7.643 0.555 1.00 0.00 H new ATOM 0 HB THR A 46 -0.021 -9.239 2.130 1.00 0.00 H new ATOM 0 HG1 THR A 46 0.268 -8.660 4.384 1.00 0.00 H new ATOM 0 HG21 THR A 46 2.129 -8.328 2.921 1.00 0.00 H new ATOM 0 HG22 THR A 46 1.767 -7.811 1.257 1.00 0.00 H new ATOM 0 HG23 THR A 46 1.539 -6.678 2.611 1.00 0.00 H new ATOM 665 N ARG A 47 -2.942 -6.739 2.795 1.00 0.00 N ATOM 666 CA ARG A 47 -4.310 -6.898 3.272 1.00 0.00 C ATOM 667 C ARG A 47 -5.197 -5.762 2.770 1.00 0.00 C ATOM 668 O ARG A 47 -5.104 -4.632 3.247 1.00 0.00 O ATOM 669 CB ARG A 47 -4.338 -6.943 4.801 1.00 0.00 C ATOM 670 CG ARG A 47 -5.677 -7.379 5.373 1.00 0.00 C ATOM 671 CD ARG A 47 -5.574 -7.689 6.858 1.00 0.00 C ATOM 672 NE ARG A 47 -5.138 -9.061 7.102 1.00 0.00 N ATOM 673 CZ ARG A 47 -5.863 -10.129 6.787 1.00 0.00 C ATOM 674 NH1 ARG A 47 -7.051 -9.984 6.217 1.00 0.00 N ATOM 675 NH2 ARG A 47 -5.398 -11.346 7.040 1.00 0.00 N ATOM 0 H ARG A 47 -2.487 -5.878 3.098 1.00 0.00 H new ATOM 0 HA ARG A 47 -4.697 -7.839 2.880 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -3.564 -7.626 5.150 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -4.091 -5.955 5.190 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -6.415 -6.593 5.215 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -6.032 -8.261 4.840 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -4.873 -6.997 7.325 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -6.543 -7.527 7.330 1.00 0.00 H new ATOM 0 HE ARG A 47 -4.228 -9.208 7.538 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -7.411 -9.050 6.019 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -7.605 -10.806 5.976 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -4.483 -11.462 7.477 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -5.955 -12.165 6.798 1.00 0.00 H new ATOM 689 N MET A 48 -6.055 -6.072 1.803 1.00 0.00 N ATOM 690 CA MET A 48 -6.958 -5.077 1.237 1.00 0.00 C ATOM 691 C MET A 48 -8.385 -5.295 1.730 1.00 0.00 C ATOM 692 O MET A 48 -8.992 -6.332 1.464 1.00 0.00 O ATOM 693 CB MET A 48 -6.920 -5.134 -0.292 1.00 0.00 C ATOM 694 CG MET A 48 -5.589 -4.698 -0.883 1.00 0.00 C ATOM 695 SD MET A 48 -5.710 -4.277 -2.632 1.00 0.00 S ATOM 696 CE MET A 48 -4.492 -2.970 -2.751 1.00 0.00 C ATOM 0 H MET A 48 -6.144 -7.003 1.396 1.00 0.00 H new ATOM 0 HA MET A 48 -6.625 -4.092 1.565 1.00 0.00 H new ATOM 0 HB2 MET A 48 -7.136 -6.152 -0.615 1.00 0.00 H new ATOM 0 HB3 MET A 48 -7.711 -4.499 -0.691 1.00 0.00 H new ATOM 0 HG2 MET A 48 -5.216 -3.836 -0.331 1.00 0.00 H new ATOM 0 HG3 MET A 48 -4.860 -5.498 -0.756 1.00 0.00 H new ATOM 0 HE1 MET A 48 -4.889 -2.157 -3.360 1.00 0.00 H new ATOM 0 HE2 MET A 48 -4.260 -2.597 -1.753 1.00 0.00 H new ATOM 0 HE3 MET A 48 -3.585 -3.359 -3.213 1.00 0.00 H new ATOM 706 N ASN A 49 -8.915 -4.311 2.449 1.00 0.00 N ATOM 707 CA ASN A 49 -10.271 -4.397 2.980 1.00 0.00 C ATOM 708 C ASN A 49 -11.296 -4.006 1.920 1.00 0.00 C ATOM 709 O ASN A 49 -11.087 -3.061 1.159 1.00 0.00 O ATOM 710 CB ASN A 49 -10.419 -3.493 4.206 1.00 0.00 C ATOM 711 CG ASN A 49 -9.198 -3.533 5.105 1.00 0.00 C ATOM 712 OD1 ASN A 49 -8.566 -4.577 5.265 1.00 0.00 O ATOM 713 ND2 ASN A 49 -8.862 -2.393 5.697 1.00 0.00 N ATOM 0 H ASN A 49 -8.427 -3.445 2.677 1.00 0.00 H new ATOM 0 HA ASN A 49 -10.455 -5.430 3.274 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -10.593 -2.468 3.879 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -11.296 -3.799 4.776 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -8.050 -2.359 6.314 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -9.416 -1.552 5.535 1.00 0.00 H new ATOM 720 N ILE A 50 -12.403 -4.740 1.876 1.00 0.00 N ATOM 721 CA ILE A 50 -13.461 -4.470 0.910 1.00 0.00 C ATOM 722 C ILE A 50 -13.915 -3.016 0.985 1.00 0.00 C ATOM 723 O ILE A 50 -14.037 -2.340 -0.035 1.00 0.00 O ATOM 724 CB ILE A 50 -14.676 -5.388 1.135 1.00 0.00 C ATOM 725 CG1 ILE A 50 -14.262 -6.856 1.021 1.00 0.00 C ATOM 726 CG2 ILE A 50 -15.777 -5.063 0.136 1.00 0.00 C ATOM 727 CD1 ILE A 50 -13.710 -7.224 -0.339 1.00 0.00 C ATOM 0 H ILE A 50 -12.590 -5.526 2.498 1.00 0.00 H new ATOM 0 HA ILE A 50 -13.045 -4.668 -0.078 1.00 0.00 H new ATOM 0 HB ILE A 50 -15.062 -5.216 2.140 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -13.511 -7.073 1.780 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -15.125 -7.486 1.237 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -16.629 -5.720 0.307 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -16.087 -4.026 0.261 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -15.404 -5.210 -0.877 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -13.437 -8.279 -0.348 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -14.467 -7.039 -1.101 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -12.828 -6.619 -0.549 1.00 0.00 H new ATOM 739 N ASN A 51 -14.161 -2.541 2.202 1.00 0.00 N ATOM 740 CA ASN A 51 -14.600 -1.166 2.411 1.00 0.00 C ATOM 741 C ASN A 51 -13.915 -0.221 1.428 1.00 0.00 C ATOM 742 O ASN A 51 -14.575 0.521 0.702 1.00 0.00 O ATOM 743 CB ASN A 51 -14.306 -0.727 3.847 1.00 0.00 C ATOM 744 CG ASN A 51 -14.352 0.779 4.012 1.00 0.00 C ATOM 745 OD1 ASN A 51 -15.387 1.408 3.791 1.00 0.00 O ATOM 746 ND2 ASN A 51 -13.226 1.366 4.403 1.00 0.00 N ATOM 0 H ASN A 51 -14.064 -3.088 3.058 1.00 0.00 H new ATOM 0 HA ASN A 51 -15.675 -1.124 2.239 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -15.031 -1.186 4.520 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -13.322 -1.092 4.141 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -13.196 2.377 4.531 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -12.392 0.805 4.575 1.00 0.00 H new ATOM 753 N GLY A 52 -12.586 -0.254 1.412 1.00 0.00 N ATOM 754 CA GLY A 52 -11.834 0.603 0.515 1.00 0.00 C ATOM 755 C GLY A 52 -10.406 0.815 0.977 1.00 0.00 C ATOM 756 O GLY A 52 -9.466 0.666 0.195 1.00 0.00 O ATOM 0 H GLY A 52 -12.017 -0.859 2.004 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -11.828 0.164 -0.483 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -12.334 1.568 0.435 1.00 0.00 H new ATOM 760 N GLN A 53 -10.242 1.163 2.249 1.00 0.00 N ATOM 761 CA GLN A 53 -8.918 1.398 2.812 1.00 0.00 C ATOM 762 C GLN A 53 -8.148 0.089 2.956 1.00 0.00 C ATOM 763 O GLN A 53 -8.694 -0.916 3.412 1.00 0.00 O ATOM 764 CB GLN A 53 -9.034 2.088 4.172 1.00 0.00 C ATOM 765 CG GLN A 53 -9.618 1.198 5.257 1.00 0.00 C ATOM 766 CD GLN A 53 -10.324 1.988 6.342 1.00 0.00 C ATOM 767 OE1 GLN A 53 -10.343 3.219 6.317 1.00 0.00 O ATOM 768 NE2 GLN A 53 -10.908 1.282 7.303 1.00 0.00 N ATOM 0 H GLN A 53 -11.009 1.288 2.909 1.00 0.00 H new ATOM 0 HA GLN A 53 -8.370 2.047 2.129 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -8.046 2.427 4.484 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -9.657 2.976 4.068 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -10.321 0.497 4.807 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -8.820 0.606 5.705 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -10.867 0.263 7.284 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -11.397 1.759 8.060 1.00 0.00 H new ATOM 777 N TRP A 54 -6.879 0.109 2.564 1.00 0.00 N ATOM 778 CA TRP A 54 -6.035 -1.077 2.650 1.00 0.00 C ATOM 779 C TRP A 54 -4.985 -0.920 3.744 1.00 0.00 C ATOM 780 O TRP A 54 -4.825 0.160 4.311 1.00 0.00 O ATOM 781 CB TRP A 54 -5.354 -1.341 1.306 1.00 0.00 C ATOM 782 CG TRP A 54 -6.246 -1.090 0.128 1.00 0.00 C ATOM 783 CD1 TRP A 54 -7.575 -1.388 0.028 1.00 0.00 C ATOM 784 CD2 TRP A 54 -5.872 -0.491 -1.118 1.00 0.00 C ATOM 785 NE1 TRP A 54 -8.050 -1.010 -1.204 1.00 0.00 N ATOM 786 CE2 TRP A 54 -7.026 -0.457 -1.926 1.00 0.00 C ATOM 787 CE3 TRP A 54 -4.677 0.021 -1.628 1.00 0.00 C ATOM 788 CZ2 TRP A 54 -7.015 0.069 -3.215 1.00 0.00 C ATOM 789 CZ3 TRP A 54 -4.668 0.542 -2.908 1.00 0.00 C ATOM 790 CH2 TRP A 54 -5.831 0.563 -3.690 1.00 0.00 C ATOM 0 H TRP A 54 -6.412 0.933 2.184 1.00 0.00 H new ATOM 0 HA TRP A 54 -6.669 -1.927 2.901 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -4.470 -0.709 1.224 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -5.010 -2.375 1.278 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -8.166 -1.853 0.804 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -9.010 -1.123 -1.529 1.00 0.00 H new ATOM 0 HE3 TRP A 54 -3.776 0.010 -1.033 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -7.910 0.086 -3.819 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 -3.749 0.940 -3.313 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -5.792 0.977 -4.687 1.00 0.00 H new ATOM 801 N GLU A 55 -4.272 -2.004 4.034 1.00 0.00 N ATOM 802 CA GLU A 55 -3.237 -1.984 5.061 1.00 0.00 C ATOM 803 C GLU A 55 -1.875 -2.330 4.468 1.00 0.00 C ATOM 804 O GLU A 55 -1.679 -3.418 3.927 1.00 0.00 O ATOM 805 CB GLU A 55 -3.582 -2.967 6.183 1.00 0.00 C ATOM 806 CG GLU A 55 -2.787 -2.738 7.457 1.00 0.00 C ATOM 807 CD GLU A 55 -2.989 -3.843 8.476 1.00 0.00 C ATOM 808 OE1 GLU A 55 -2.533 -4.977 8.220 1.00 0.00 O ATOM 809 OE2 GLU A 55 -3.604 -3.574 9.530 1.00 0.00 O ATOM 0 H GLU A 55 -4.392 -2.906 3.573 1.00 0.00 H new ATOM 0 HA GLU A 55 -3.189 -0.976 5.473 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -4.645 -2.889 6.409 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -3.405 -3.983 5.832 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -1.728 -2.664 7.212 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -3.079 -1.785 7.897 1.00 0.00 H new ATOM 816 N GLY A 56 -0.935 -1.395 4.573 1.00 0.00 N ATOM 817 CA GLY A 56 0.397 -1.620 4.042 1.00 0.00 C ATOM 818 C GLY A 56 1.485 -1.223 5.020 1.00 0.00 C ATOM 819 O GLY A 56 1.237 -0.473 5.964 1.00 0.00 O ATOM 0 H GLY A 56 -1.072 -0.487 5.016 1.00 0.00 H new ATOM 0 HA2 GLY A 56 0.510 -2.673 3.786 1.00 0.00 H new ATOM 0 HA3 GLY A 56 0.518 -1.053 3.119 1.00 0.00 H new ATOM 823 N GLU A 57 2.694 -1.728 4.795 1.00 0.00 N ATOM 824 CA GLU A 57 3.823 -1.423 5.666 1.00 0.00 C ATOM 825 C GLU A 57 4.885 -0.619 4.920 1.00 0.00 C ATOM 826 O GLU A 57 5.388 -1.049 3.882 1.00 0.00 O ATOM 827 CB GLU A 57 4.436 -2.713 6.214 1.00 0.00 C ATOM 828 CG GLU A 57 5.578 -2.478 7.188 1.00 0.00 C ATOM 829 CD GLU A 57 6.910 -2.282 6.489 1.00 0.00 C ATOM 830 OE1 GLU A 57 7.082 -2.822 5.377 1.00 0.00 O ATOM 831 OE2 GLU A 57 7.780 -1.588 7.056 1.00 0.00 O ATOM 0 H GLU A 57 2.917 -2.350 4.018 1.00 0.00 H new ATOM 0 HA GLU A 57 3.455 -0.822 6.498 1.00 0.00 H new ATOM 0 HB2 GLU A 57 3.658 -3.292 6.712 1.00 0.00 H new ATOM 0 HB3 GLU A 57 4.798 -3.316 5.381 1.00 0.00 H new ATOM 0 HG2 GLU A 57 5.358 -1.600 7.795 1.00 0.00 H new ATOM 0 HG3 GLU A 57 5.650 -3.326 7.869 1.00 0.00 H new ATOM 838 N VAL A 58 5.219 0.550 5.456 1.00 0.00 N ATOM 839 CA VAL A 58 6.221 1.414 4.843 1.00 0.00 C ATOM 840 C VAL A 58 7.117 2.051 5.898 1.00 0.00 C ATOM 841 O VAL A 58 6.654 2.433 6.972 1.00 0.00 O ATOM 842 CB VAL A 58 5.564 2.526 4.003 1.00 0.00 C ATOM 843 CG1 VAL A 58 6.615 3.496 3.487 1.00 0.00 C ATOM 844 CG2 VAL A 58 4.770 1.925 2.853 1.00 0.00 C ATOM 0 H VAL A 58 4.810 0.921 6.314 1.00 0.00 H new ATOM 0 HA VAL A 58 6.826 0.784 4.190 1.00 0.00 H new ATOM 0 HB VAL A 58 4.874 3.080 4.640 1.00 0.00 H new ATOM 0 HG11 VAL A 58 6.133 4.274 2.896 1.00 0.00 H new ATOM 0 HG12 VAL A 58 7.136 3.950 4.330 1.00 0.00 H new ATOM 0 HG13 VAL A 58 7.331 2.959 2.865 1.00 0.00 H new ATOM 0 HG21 VAL A 58 4.313 2.724 2.270 1.00 0.00 H new ATOM 0 HG22 VAL A 58 5.437 1.346 2.214 1.00 0.00 H new ATOM 0 HG23 VAL A 58 3.991 1.274 3.250 1.00 0.00 H new ATOM 854 N ASN A 59 8.404 2.164 5.584 1.00 0.00 N ATOM 855 CA ASN A 59 9.367 2.756 6.506 1.00 0.00 C ATOM 856 C ASN A 59 9.118 2.278 7.933 1.00 0.00 C ATOM 857 O ASN A 59 9.058 3.078 8.866 1.00 0.00 O ATOM 858 CB ASN A 59 9.288 4.283 6.447 1.00 0.00 C ATOM 859 CG ASN A 59 9.387 4.813 5.030 1.00 0.00 C ATOM 860 OD1 ASN A 59 10.081 4.241 4.188 1.00 0.00 O ATOM 861 ND2 ASN A 59 8.692 5.912 4.759 1.00 0.00 N ATOM 0 H ASN A 59 8.804 1.854 4.699 1.00 0.00 H new ATOM 0 HA ASN A 59 10.365 2.438 6.204 1.00 0.00 H new ATOM 0 HB2 ASN A 59 8.348 4.613 6.890 1.00 0.00 H new ATOM 0 HB3 ASN A 59 10.091 4.709 7.048 1.00 0.00 H new ATOM 0 HD21 ASN A 59 8.720 6.315 3.822 1.00 0.00 H new ATOM 0 HD22 ASN A 59 8.130 6.353 5.487 1.00 0.00 H new ATOM 868 N GLY A 60 8.976 0.966 8.096 1.00 0.00 N ATOM 869 CA GLY A 60 8.736 0.403 9.411 1.00 0.00 C ATOM 870 C GLY A 60 7.507 0.989 10.078 1.00 0.00 C ATOM 871 O GLY A 60 7.523 1.287 11.272 1.00 0.00 O ATOM 0 H GLY A 60 9.023 0.283 7.340 1.00 0.00 H new ATOM 0 HA2 GLY A 60 8.618 -0.677 9.324 1.00 0.00 H new ATOM 0 HA3 GLY A 60 9.607 0.579 10.042 1.00 0.00 H new ATOM 875 N ARG A 61 6.439 1.155 9.304 1.00 0.00 N ATOM 876 CA ARG A 61 5.197 1.712 9.826 1.00 0.00 C ATOM 877 C ARG A 61 3.990 1.119 9.104 1.00 0.00 C ATOM 878 O ARG A 61 3.960 1.051 7.875 1.00 0.00 O ATOM 879 CB ARG A 61 5.195 3.235 9.680 1.00 0.00 C ATOM 880 CG ARG A 61 4.272 3.939 10.661 1.00 0.00 C ATOM 881 CD ARG A 61 3.792 5.274 10.114 1.00 0.00 C ATOM 882 NE ARG A 61 4.778 6.333 10.313 1.00 0.00 N ATOM 883 CZ ARG A 61 5.037 6.885 11.493 1.00 0.00 C ATOM 884 NH1 ARG A 61 4.386 6.479 12.575 1.00 0.00 N ATOM 885 NH2 ARG A 61 5.948 7.844 11.594 1.00 0.00 N ATOM 0 H ARG A 61 6.409 0.912 8.314 1.00 0.00 H new ATOM 0 HA ARG A 61 5.129 1.455 10.883 1.00 0.00 H new ATOM 0 HB2 ARG A 61 6.210 3.606 9.819 1.00 0.00 H new ATOM 0 HB3 ARG A 61 4.897 3.494 8.664 1.00 0.00 H new ATOM 0 HG2 ARG A 61 3.413 3.303 10.875 1.00 0.00 H new ATOM 0 HG3 ARG A 61 4.795 4.098 11.604 1.00 0.00 H new ATOM 0 HD2 ARG A 61 3.577 5.174 9.050 1.00 0.00 H new ATOM 0 HD3 ARG A 61 2.858 5.552 10.603 1.00 0.00 H new ATOM 0 HE ARG A 61 5.296 6.667 9.501 1.00 0.00 H new ATOM 0 HH11 ARG A 61 3.685 5.742 12.502 1.00 0.00 H new ATOM 0 HH12 ARG A 61 4.586 6.904 13.480 1.00 0.00 H new ATOM 0 HH21 ARG A 61 6.451 8.159 10.764 1.00 0.00 H new ATOM 0 HH22 ARG A 61 6.145 8.267 12.501 1.00 0.00 H new ATOM 899 N LYS A 62 2.997 0.691 9.876 1.00 0.00 N ATOM 900 CA LYS A 62 1.787 0.105 9.312 1.00 0.00 C ATOM 901 C LYS A 62 0.566 0.959 9.638 1.00 0.00 C ATOM 902 O LYS A 62 0.246 1.182 10.805 1.00 0.00 O ATOM 903 CB LYS A 62 1.587 -1.315 9.846 1.00 0.00 C ATOM 904 CG LYS A 62 2.560 -2.326 9.264 1.00 0.00 C ATOM 905 CD LYS A 62 2.173 -3.749 9.632 1.00 0.00 C ATOM 906 CE LYS A 62 3.021 -4.768 8.887 1.00 0.00 C ATOM 907 NZ LYS A 62 2.427 -5.126 7.569 1.00 0.00 N ATOM 0 H LYS A 62 3.006 0.739 10.895 1.00 0.00 H new ATOM 0 HA LYS A 62 1.903 0.066 8.229 1.00 0.00 H new ATOM 0 HB2 LYS A 62 1.693 -1.304 10.931 1.00 0.00 H new ATOM 0 HB3 LYS A 62 0.568 -1.636 9.628 1.00 0.00 H new ATOM 0 HG2 LYS A 62 2.586 -2.224 8.179 1.00 0.00 H new ATOM 0 HG3 LYS A 62 3.566 -2.116 9.628 1.00 0.00 H new ATOM 0 HD2 LYS A 62 2.290 -3.893 10.706 1.00 0.00 H new ATOM 0 HD3 LYS A 62 1.120 -3.912 9.401 1.00 0.00 H new ATOM 0 HE2 LYS A 62 4.023 -4.366 8.737 1.00 0.00 H new ATOM 0 HE3 LYS A 62 3.126 -5.667 9.494 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 3.186 -5.360 6.898 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 1.800 -5.948 7.683 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 1.880 -4.320 7.205 1.00 0.00 H new ATOM 921 N GLY A 63 -0.115 1.433 8.599 1.00 0.00 N ATOM 922 CA GLY A 63 -1.294 2.255 8.797 1.00 0.00 C ATOM 923 C GLY A 63 -2.259 2.175 7.631 1.00 0.00 C ATOM 924 O GLY A 63 -1.936 1.608 6.586 1.00 0.00 O ATOM 0 H GLY A 63 0.129 1.262 7.623 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -1.803 1.941 9.708 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -0.990 3.292 8.943 1.00 0.00 H new ATOM 928 N LEU A 64 -3.448 2.740 7.809 1.00 0.00 N ATOM 929 CA LEU A 64 -4.465 2.728 6.764 1.00 0.00 C ATOM 930 C LEU A 64 -4.315 3.936 5.844 1.00 0.00 C ATOM 931 O LEU A 64 -4.176 5.068 6.307 1.00 0.00 O ATOM 932 CB LEU A 64 -5.863 2.717 7.385 1.00 0.00 C ATOM 933 CG LEU A 64 -6.179 1.538 8.306 1.00 0.00 C ATOM 934 CD1 LEU A 64 -7.546 1.714 8.948 1.00 0.00 C ATOM 935 CD2 LEU A 64 -6.113 0.227 7.536 1.00 0.00 C ATOM 0 H LEU A 64 -3.731 3.212 8.668 1.00 0.00 H new ATOM 0 HA LEU A 64 -4.330 1.823 6.171 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -5.995 3.639 7.951 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -6.597 2.730 6.579 1.00 0.00 H new ATOM 0 HG LEU A 64 -5.430 1.509 9.098 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -7.754 0.866 9.600 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -7.557 2.633 9.534 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -8.308 1.770 8.171 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -6.341 -0.601 8.207 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -6.839 0.245 6.723 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -5.112 0.096 7.125 1.00 0.00 H new ATOM 947 N PHE A 65 -4.345 3.687 4.539 1.00 0.00 N ATOM 948 CA PHE A 65 -4.214 4.754 3.554 1.00 0.00 C ATOM 949 C PHE A 65 -5.185 4.548 2.396 1.00 0.00 C ATOM 950 O PHE A 65 -5.446 3.425 1.964 1.00 0.00 O ATOM 951 CB PHE A 65 -2.779 4.815 3.026 1.00 0.00 C ATOM 952 CG PHE A 65 -2.359 3.577 2.287 1.00 0.00 C ATOM 953 CD1 PHE A 65 -2.597 3.451 0.928 1.00 0.00 C ATOM 954 CD2 PHE A 65 -1.725 2.539 2.951 1.00 0.00 C ATOM 955 CE1 PHE A 65 -2.212 2.312 0.245 1.00 0.00 C ATOM 956 CE2 PHE A 65 -1.337 1.398 2.274 1.00 0.00 C ATOM 957 CZ PHE A 65 -1.581 1.285 0.919 1.00 0.00 C ATOM 0 H PHE A 65 -4.459 2.756 4.139 1.00 0.00 H new ATOM 0 HA PHE A 65 -4.455 5.698 4.043 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -2.680 5.675 2.364 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -2.099 4.977 3.862 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -3.089 4.252 0.396 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -1.532 2.623 4.010 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -2.405 2.226 -0.814 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -0.844 0.596 2.804 1.00 0.00 H new ATOM 0 HZ PHE A 65 -1.279 0.395 0.388 1.00 0.00 H new ATOM 967 N PRO A 66 -5.735 5.657 1.880 1.00 0.00 N ATOM 968 CA PRO A 66 -6.686 5.625 0.765 1.00 0.00 C ATOM 969 C PRO A 66 -6.026 5.224 -0.549 1.00 0.00 C ATOM 970 O PRO A 66 -4.829 5.437 -0.745 1.00 0.00 O ATOM 971 CB PRO A 66 -7.194 7.067 0.691 1.00 0.00 C ATOM 972 CG PRO A 66 -6.098 7.886 1.282 1.00 0.00 C ATOM 973 CD PRO A 66 -5.469 7.029 2.346 1.00 0.00 C ATOM 0 HA PRO A 66 -7.474 4.889 0.922 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -7.398 7.362 -0.338 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -8.123 7.188 1.248 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -5.367 8.166 0.523 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -6.487 8.812 1.706 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -4.400 7.222 2.438 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -5.912 7.214 3.325 1.00 0.00 H new ATOM 981 N PHE A 67 -6.813 4.642 -1.448 1.00 0.00 N ATOM 982 CA PHE A 67 -6.304 4.210 -2.744 1.00 0.00 C ATOM 983 C PHE A 67 -6.128 5.400 -3.683 1.00 0.00 C ATOM 984 O PHE A 67 -5.316 5.362 -4.608 1.00 0.00 O ATOM 985 CB PHE A 67 -7.251 3.186 -3.373 1.00 0.00 C ATOM 986 CG PHE A 67 -8.626 3.727 -3.642 1.00 0.00 C ATOM 987 CD1 PHE A 67 -8.914 4.361 -4.840 1.00 0.00 C ATOM 988 CD2 PHE A 67 -9.632 3.602 -2.696 1.00 0.00 C ATOM 989 CE1 PHE A 67 -10.178 4.860 -5.089 1.00 0.00 C ATOM 990 CE2 PHE A 67 -10.898 4.099 -2.940 1.00 0.00 C ATOM 991 CZ PHE A 67 -11.172 4.728 -4.139 1.00 0.00 C ATOM 0 H PHE A 67 -7.806 4.459 -1.303 1.00 0.00 H new ATOM 0 HA PHE A 67 -5.330 3.746 -2.587 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -6.820 2.831 -4.309 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -7.332 2.323 -2.712 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -8.142 4.466 -5.588 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -9.424 3.110 -1.757 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -10.389 5.353 -6.026 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -11.672 3.996 -2.194 1.00 0.00 H new ATOM 0 HZ PHE A 67 -12.161 5.116 -4.333 1.00 0.00 H new ATOM 1001 N THR A 68 -6.897 6.457 -3.440 1.00 0.00 N ATOM 1002 CA THR A 68 -6.829 7.658 -4.263 1.00 0.00 C ATOM 1003 C THR A 68 -5.497 8.376 -4.079 1.00 0.00 C ATOM 1004 O THR A 68 -5.086 9.170 -4.926 1.00 0.00 O ATOM 1005 CB THR A 68 -7.974 8.633 -3.931 1.00 0.00 C ATOM 1006 OG1 THR A 68 -8.002 8.895 -2.523 1.00 0.00 O ATOM 1007 CG2 THR A 68 -9.314 8.064 -4.372 1.00 0.00 C ATOM 0 H THR A 68 -7.575 6.505 -2.679 1.00 0.00 H new ATOM 0 HA THR A 68 -6.925 7.336 -5.300 1.00 0.00 H new ATOM 0 HB THR A 68 -7.797 9.564 -4.470 1.00 0.00 H new ATOM 0 HG1 THR A 68 -8.732 9.517 -2.320 1.00 0.00 H new ATOM 0 HG21 THR A 68 -10.107 8.770 -4.127 1.00 0.00 H new ATOM 0 HG22 THR A 68 -9.300 7.893 -5.448 1.00 0.00 H new ATOM 0 HG23 THR A 68 -9.496 7.121 -3.857 1.00 0.00 H new ATOM 1015 N HIS A 69 -4.825 8.091 -2.968 1.00 0.00 N ATOM 1016 CA HIS A 69 -3.537 8.709 -2.675 1.00 0.00 C ATOM 1017 C HIS A 69 -2.431 8.090 -3.524 1.00 0.00 C ATOM 1018 O HIS A 69 -1.596 8.799 -4.087 1.00 0.00 O ATOM 1019 CB HIS A 69 -3.201 8.558 -1.191 1.00 0.00 C ATOM 1020 CG HIS A 69 -1.896 9.183 -0.805 1.00 0.00 C ATOM 1021 ND1 HIS A 69 -1.752 10.532 -0.558 1.00 0.00 N ATOM 1022 CD2 HIS A 69 -0.672 8.636 -0.621 1.00 0.00 C ATOM 1023 CE1 HIS A 69 -0.495 10.788 -0.241 1.00 0.00 C ATOM 1024 NE2 HIS A 69 0.181 9.654 -0.272 1.00 0.00 N ATOM 0 H HIS A 69 -5.151 7.437 -2.257 1.00 0.00 H new ATOM 0 HA HIS A 69 -3.607 9.769 -2.918 1.00 0.00 H new ATOM 0 HB2 HIS A 69 -3.998 9.007 -0.599 1.00 0.00 H new ATOM 0 HB3 HIS A 69 -3.175 7.498 -0.939 1.00 0.00 H new ATOM 0 HD2 HIS A 69 -0.414 7.593 -0.729 1.00 0.00 H new ATOM 0 HE1 HIS A 69 -0.090 11.759 0.002 1.00 0.00 H new ATOM 0 HE2 HIS A 69 1.175 9.551 -0.070 1.00 0.00 H new ATOM 1033 N VAL A 70 -2.430 6.764 -3.611 1.00 0.00 N ATOM 1034 CA VAL A 70 -1.427 6.050 -4.392 1.00 0.00 C ATOM 1035 C VAL A 70 -2.027 5.489 -5.676 1.00 0.00 C ATOM 1036 O VAL A 70 -3.064 4.827 -5.653 1.00 0.00 O ATOM 1037 CB VAL A 70 -0.803 4.896 -3.583 1.00 0.00 C ATOM 1038 CG1 VAL A 70 -0.156 5.424 -2.312 1.00 0.00 C ATOM 1039 CG2 VAL A 70 -1.853 3.844 -3.260 1.00 0.00 C ATOM 0 H VAL A 70 -3.113 6.162 -3.150 1.00 0.00 H new ATOM 0 HA VAL A 70 -0.649 6.771 -4.643 1.00 0.00 H new ATOM 0 HB VAL A 70 -0.027 4.428 -4.189 1.00 0.00 H new ATOM 0 HG11 VAL A 70 0.279 4.595 -1.754 1.00 0.00 H new ATOM 0 HG12 VAL A 70 0.626 6.137 -2.571 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -0.909 5.919 -1.699 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -1.395 3.037 -2.689 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -2.652 4.296 -2.673 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -2.265 3.444 -4.187 1.00 0.00 H new ATOM 1049 N LYS A 71 -1.367 5.758 -6.798 1.00 0.00 N ATOM 1050 CA LYS A 71 -1.833 5.280 -8.094 1.00 0.00 C ATOM 1051 C LYS A 71 -1.254 3.904 -8.406 1.00 0.00 C ATOM 1052 O LYS A 71 -0.038 3.712 -8.381 1.00 0.00 O ATOM 1053 CB LYS A 71 -1.446 6.269 -9.195 1.00 0.00 C ATOM 1054 CG LYS A 71 -2.047 5.937 -10.550 1.00 0.00 C ATOM 1055 CD LYS A 71 -1.370 6.715 -11.666 1.00 0.00 C ATOM 1056 CE LYS A 71 -1.917 8.131 -11.769 1.00 0.00 C ATOM 1057 NZ LYS A 71 -3.264 8.161 -12.402 1.00 0.00 N ATOM 0 H LYS A 71 -0.507 6.305 -6.835 1.00 0.00 H new ATOM 0 HA LYS A 71 -2.919 5.198 -8.054 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -1.764 7.269 -8.901 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -0.360 6.293 -9.285 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -1.950 4.868 -10.740 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -3.113 6.164 -10.542 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -0.296 6.751 -11.486 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -1.517 6.197 -12.614 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -1.974 8.572 -10.774 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -1.229 8.745 -12.350 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -3.536 9.146 -12.593 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -3.240 7.629 -13.295 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -3.959 7.728 -11.760 1.00 0.00 H new ATOM 1071 N ILE A 72 -2.132 2.951 -8.701 1.00 0.00 N ATOM 1072 CA ILE A 72 -1.707 1.593 -9.020 1.00 0.00 C ATOM 1073 C ILE A 72 -0.969 1.548 -10.354 1.00 0.00 C ATOM 1074 O ILE A 72 -1.544 1.838 -11.404 1.00 0.00 O ATOM 1075 CB ILE A 72 -2.904 0.627 -9.075 1.00 0.00 C ATOM 1076 CG1 ILE A 72 -3.666 0.648 -7.749 1.00 0.00 C ATOM 1077 CG2 ILE A 72 -2.432 -0.783 -9.399 1.00 0.00 C ATOM 1078 CD1 ILE A 72 -2.769 0.781 -6.538 1.00 0.00 C ATOM 0 H ILE A 72 -3.142 3.094 -8.726 1.00 0.00 H new ATOM 0 HA ILE A 72 -1.033 1.277 -8.224 1.00 0.00 H new ATOM 0 HB ILE A 72 -3.580 0.954 -9.865 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -4.374 1.477 -7.759 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -4.249 -0.268 -7.660 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -3.290 -1.455 -9.434 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -1.929 -0.785 -10.366 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -1.738 -1.121 -8.629 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -3.377 0.789 -5.634 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -2.078 -0.061 -6.503 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -2.205 1.711 -6.604 1.00 0.00 H new ATOM 1090 N PHE A 73 0.307 1.181 -10.306 1.00 0.00 N ATOM 1091 CA PHE A 73 1.124 1.096 -11.511 1.00 0.00 C ATOM 1092 C PHE A 73 1.755 -0.287 -11.645 1.00 0.00 C ATOM 1093 O PHE A 73 1.760 -1.073 -10.697 1.00 0.00 O ATOM 1094 CB PHE A 73 2.217 2.167 -11.488 1.00 0.00 C ATOM 1095 CG PHE A 73 3.422 1.778 -10.681 1.00 0.00 C ATOM 1096 CD1 PHE A 73 3.432 1.940 -9.305 1.00 0.00 C ATOM 1097 CD2 PHE A 73 4.544 1.249 -11.298 1.00 0.00 C ATOM 1098 CE1 PHE A 73 4.539 1.582 -8.558 1.00 0.00 C ATOM 1099 CE2 PHE A 73 5.654 0.889 -10.557 1.00 0.00 C ATOM 1100 CZ PHE A 73 5.652 1.056 -9.186 1.00 0.00 C ATOM 0 H PHE A 73 0.798 0.938 -9.446 1.00 0.00 H new ATOM 0 HA PHE A 73 0.476 1.265 -12.371 1.00 0.00 H new ATOM 0 HB2 PHE A 73 2.528 2.379 -12.511 1.00 0.00 H new ATOM 0 HB3 PHE A 73 1.801 3.090 -11.083 1.00 0.00 H new ATOM 0 HD1 PHE A 73 2.565 2.351 -8.810 1.00 0.00 H new ATOM 0 HD2 PHE A 73 4.551 1.116 -12.370 1.00 0.00 H new ATOM 0 HE1 PHE A 73 4.534 1.713 -7.486 1.00 0.00 H new ATOM 0 HE2 PHE A 73 6.522 0.477 -11.050 1.00 0.00 H new ATOM 0 HZ PHE A 73 6.519 0.776 -8.606 1.00 0.00 H new ATOM 1110 N ASP A 74 2.285 -0.576 -12.827 1.00 0.00 N ATOM 1111 CA ASP A 74 2.919 -1.864 -13.086 1.00 0.00 C ATOM 1112 C ASP A 74 4.422 -1.791 -12.832 1.00 0.00 C ATOM 1113 O ASP A 74 5.094 -0.831 -13.210 1.00 0.00 O ATOM 1114 CB ASP A 74 2.654 -2.307 -14.526 1.00 0.00 C ATOM 1115 CG ASP A 74 3.017 -3.760 -14.761 1.00 0.00 C ATOM 1116 OD1 ASP A 74 2.307 -4.641 -14.234 1.00 0.00 O ATOM 1117 OD2 ASP A 74 4.012 -4.016 -15.472 1.00 0.00 O ATOM 0 H ASP A 74 2.289 0.063 -13.622 1.00 0.00 H new ATOM 0 HA ASP A 74 2.488 -2.597 -12.403 1.00 0.00 H new ATOM 0 HB2 ASP A 74 1.600 -2.156 -14.761 1.00 0.00 H new ATOM 0 HB3 ASP A 74 3.226 -1.678 -15.208 1.00 0.00 H new ATOM 1122 N PRO A 75 4.962 -2.828 -12.175 1.00 0.00 N ATOM 1123 CA PRO A 75 6.391 -2.904 -11.855 1.00 0.00 C ATOM 1124 C PRO A 75 7.252 -3.115 -13.095 1.00 0.00 C ATOM 1125 O PRO A 75 8.347 -2.563 -13.202 1.00 0.00 O ATOM 1126 CB PRO A 75 6.482 -4.119 -10.928 1.00 0.00 C ATOM 1127 CG PRO A 75 5.309 -4.962 -11.292 1.00 0.00 C ATOM 1128 CD PRO A 75 4.220 -4.006 -11.695 1.00 0.00 C ATOM 0 HA PRO A 75 6.758 -1.980 -11.408 1.00 0.00 H new ATOM 0 HB2 PRO A 75 7.418 -4.659 -11.074 1.00 0.00 H new ATOM 0 HB3 PRO A 75 6.445 -3.821 -9.880 1.00 0.00 H new ATOM 0 HG2 PRO A 75 5.555 -5.640 -12.109 1.00 0.00 H new ATOM 0 HG3 PRO A 75 4.995 -5.578 -10.450 1.00 0.00 H new ATOM 0 HD2 PRO A 75 3.585 -4.426 -12.475 1.00 0.00 H new ATOM 0 HD3 PRO A 75 3.572 -3.758 -10.855 1.00 0.00 H new ATOM 1136 N GLN A 76 6.751 -3.916 -14.030 1.00 0.00 N ATOM 1137 CA GLN A 76 7.476 -4.198 -15.263 1.00 0.00 C ATOM 1138 C GLN A 76 7.097 -3.206 -16.357 1.00 0.00 C ATOM 1139 O GLN A 76 6.717 -3.598 -17.460 1.00 0.00 O ATOM 1140 CB GLN A 76 7.190 -5.626 -15.731 1.00 0.00 C ATOM 1141 CG GLN A 76 7.516 -6.685 -14.690 1.00 0.00 C ATOM 1142 CD GLN A 76 7.247 -8.092 -15.185 1.00 0.00 C ATOM 1143 OE1 GLN A 76 7.674 -8.472 -16.275 1.00 0.00 O ATOM 1144 NE2 GLN A 76 6.535 -8.876 -14.382 1.00 0.00 N ATOM 0 H GLN A 76 5.846 -4.381 -13.957 1.00 0.00 H new ATOM 0 HA GLN A 76 8.542 -4.096 -15.060 1.00 0.00 H new ATOM 0 HB2 GLN A 76 6.137 -5.707 -16.002 1.00 0.00 H new ATOM 0 HB3 GLN A 76 7.767 -5.826 -16.634 1.00 0.00 H new ATOM 0 HG2 GLN A 76 8.565 -6.598 -14.405 1.00 0.00 H new ATOM 0 HG3 GLN A 76 6.926 -6.501 -13.792 1.00 0.00 H new ATOM 0 HE21 GLN A 76 6.201 -8.520 -13.487 1.00 0.00 H new ATOM 0 HE22 GLN A 76 6.323 -9.834 -14.661 1.00 0.00 H new ATOM 1153 N ASN A 77 7.201 -1.919 -16.044 1.00 0.00 N ATOM 1154 CA ASN A 77 6.868 -0.870 -17.001 1.00 0.00 C ATOM 1155 C ASN A 77 8.128 -0.172 -17.504 1.00 0.00 C ATOM 1156 O ASN A 77 8.539 0.868 -16.991 1.00 0.00 O ATOM 1157 CB ASN A 77 5.927 0.153 -16.361 1.00 0.00 C ATOM 1158 CG ASN A 77 6.571 0.884 -15.199 1.00 0.00 C ATOM 1159 OD1 ASN A 77 7.402 0.325 -14.484 1.00 0.00 O ATOM 1160 ND2 ASN A 77 6.189 2.141 -15.006 1.00 0.00 N ATOM 0 H ASN A 77 7.513 -1.577 -15.135 1.00 0.00 H new ATOM 0 HA ASN A 77 6.367 -1.334 -17.851 1.00 0.00 H new ATOM 0 HB2 ASN A 77 5.615 0.877 -17.114 1.00 0.00 H new ATOM 0 HB3 ASN A 77 5.026 -0.353 -16.014 1.00 0.00 H new ATOM 0 HD21 ASN A 77 6.588 2.683 -14.240 1.00 0.00 H new ATOM 0 HD22 ASN A 77 5.497 2.564 -15.624 1.00 0.00 H new ATOM 1167 N PRO A 78 8.757 -0.758 -18.535 1.00 0.00 N ATOM 1168 CA PRO A 78 9.979 -0.210 -19.131 1.00 0.00 C ATOM 1169 C PRO A 78 9.720 1.084 -19.897 1.00 0.00 C ATOM 1170 O PRO A 78 10.646 1.700 -20.424 1.00 0.00 O ATOM 1171 CB PRO A 78 10.433 -1.315 -20.087 1.00 0.00 C ATOM 1172 CG PRO A 78 9.188 -2.059 -20.425 1.00 0.00 C ATOM 1173 CD PRO A 78 8.323 -1.999 -19.197 1.00 0.00 C ATOM 0 HA PRO A 78 10.720 0.050 -18.375 1.00 0.00 H new ATOM 0 HB2 PRO A 78 10.900 -0.899 -20.980 1.00 0.00 H new ATOM 0 HB3 PRO A 78 11.169 -1.967 -19.617 1.00 0.00 H new ATOM 0 HG2 PRO A 78 8.684 -1.608 -21.280 1.00 0.00 H new ATOM 0 HG3 PRO A 78 9.411 -3.091 -20.695 1.00 0.00 H new ATOM 0 HD2 PRO A 78 7.264 -1.969 -19.453 1.00 0.00 H new ATOM 0 HD3 PRO A 78 8.472 -2.869 -18.557 1.00 0.00 H new ATOM 1181 N ASP A 79 8.456 1.489 -19.954 1.00 0.00 N ATOM 1182 CA ASP A 79 8.076 2.711 -20.654 1.00 0.00 C ATOM 1183 C ASP A 79 8.076 3.904 -19.703 1.00 0.00 C ATOM 1184 O ASP A 79 7.589 3.812 -18.577 1.00 0.00 O ATOM 1185 CB ASP A 79 6.695 2.550 -21.291 1.00 0.00 C ATOM 1186 CG ASP A 79 5.584 2.512 -20.260 1.00 0.00 C ATOM 1187 OD1 ASP A 79 5.306 1.417 -19.728 1.00 0.00 O ATOM 1188 OD2 ASP A 79 4.990 3.577 -19.987 1.00 0.00 O ATOM 0 H ASP A 79 7.677 0.989 -19.524 1.00 0.00 H new ATOM 0 HA ASP A 79 8.810 2.895 -21.439 1.00 0.00 H new ATOM 0 HB2 ASP A 79 6.518 3.375 -21.982 1.00 0.00 H new ATOM 0 HB3 ASP A 79 6.674 1.632 -21.878 1.00 0.00 H new ATOM 1193 N GLU A 80 8.627 5.023 -20.165 1.00 0.00 N ATOM 1194 CA GLU A 80 8.692 6.233 -19.355 1.00 0.00 C ATOM 1195 C GLU A 80 8.650 7.479 -20.234 1.00 0.00 C ATOM 1196 O GLU A 80 9.496 7.663 -21.108 1.00 0.00 O ATOM 1197 CB GLU A 80 9.964 6.237 -18.505 1.00 0.00 C ATOM 1198 CG GLU A 80 11.159 5.601 -19.195 1.00 0.00 C ATOM 1199 CD GLU A 80 12.452 5.809 -18.432 1.00 0.00 C ATOM 1200 OE1 GLU A 80 12.917 6.965 -18.354 1.00 0.00 O ATOM 1201 OE2 GLU A 80 12.999 4.814 -17.911 1.00 0.00 O ATOM 0 H GLU A 80 9.034 5.116 -21.096 1.00 0.00 H new ATOM 0 HA GLU A 80 7.824 6.245 -18.696 1.00 0.00 H new ATOM 0 HB2 GLU A 80 10.212 7.265 -18.242 1.00 0.00 H new ATOM 0 HB3 GLU A 80 9.769 5.707 -17.572 1.00 0.00 H new ATOM 0 HG2 GLU A 80 10.979 4.532 -19.313 1.00 0.00 H new ATOM 0 HG3 GLU A 80 11.261 6.020 -20.196 1.00 0.00 H new ATOM 1208 N ASN A 81 7.659 8.332 -19.996 1.00 0.00 N ATOM 1209 CA ASN A 81 7.506 9.561 -20.766 1.00 0.00 C ATOM 1210 C ASN A 81 8.411 10.661 -20.221 1.00 0.00 C ATOM 1211 O ASN A 81 8.871 10.592 -19.082 1.00 0.00 O ATOM 1212 CB ASN A 81 6.048 10.025 -20.741 1.00 0.00 C ATOM 1213 CG ASN A 81 5.575 10.370 -19.342 1.00 0.00 C ATOM 1214 OD1 ASN A 81 6.372 10.742 -18.480 1.00 0.00 O ATOM 1215 ND2 ASN A 81 4.273 10.249 -19.111 1.00 0.00 N ATOM 0 H ASN A 81 6.950 8.195 -19.276 1.00 0.00 H new ATOM 0 HA ASN A 81 7.797 9.353 -21.796 1.00 0.00 H new ATOM 0 HB2 ASN A 81 5.936 10.897 -21.385 1.00 0.00 H new ATOM 0 HB3 ASN A 81 5.413 9.241 -21.153 1.00 0.00 H new ATOM 0 HD21 ASN A 81 3.896 10.468 -18.189 1.00 0.00 H new ATOM 0 HD22 ASN A 81 3.650 9.937 -19.856 1.00 0.00 H new ATOM 1222 N GLU A 82 8.661 11.676 -21.043 1.00 0.00 N ATOM 1223 CA GLU A 82 9.511 12.791 -20.642 1.00 0.00 C ATOM 1224 C GLU A 82 8.703 13.853 -19.902 1.00 0.00 C ATOM 1225 O GLU A 82 7.839 14.508 -20.484 1.00 0.00 O ATOM 1226 CB GLU A 82 10.187 13.411 -21.867 1.00 0.00 C ATOM 1227 CG GLU A 82 11.004 14.652 -21.548 1.00 0.00 C ATOM 1228 CD GLU A 82 11.992 14.998 -22.645 1.00 0.00 C ATOM 1229 OE1 GLU A 82 12.435 14.074 -23.358 1.00 0.00 O ATOM 1230 OE2 GLU A 82 12.321 16.194 -22.791 1.00 0.00 O ATOM 0 H GLU A 82 8.287 11.749 -21.989 1.00 0.00 H new ATOM 0 HA GLU A 82 10.277 12.407 -19.968 1.00 0.00 H new ATOM 0 HB2 GLU A 82 10.837 12.667 -22.328 1.00 0.00 H new ATOM 0 HB3 GLU A 82 9.424 13.668 -22.602 1.00 0.00 H new ATOM 0 HG2 GLU A 82 10.331 15.495 -21.391 1.00 0.00 H new ATOM 0 HG3 GLU A 82 11.544 14.497 -20.614 1.00 0.00 H new ATOM 1237 N SER A 83 8.990 14.016 -18.615 1.00 0.00 N ATOM 1238 CA SER A 83 8.288 14.994 -17.793 1.00 0.00 C ATOM 1239 C SER A 83 9.151 16.232 -17.564 1.00 0.00 C ATOM 1240 O SER A 83 10.376 16.175 -17.664 1.00 0.00 O ATOM 1241 CB SER A 83 7.897 14.376 -16.449 1.00 0.00 C ATOM 1242 OG SER A 83 7.078 13.235 -16.632 1.00 0.00 O ATOM 0 H SER A 83 9.704 13.483 -18.119 1.00 0.00 H new ATOM 0 HA SER A 83 7.385 15.295 -18.323 1.00 0.00 H new ATOM 0 HB2 SER A 83 8.795 14.098 -15.898 1.00 0.00 H new ATOM 0 HB3 SER A 83 7.368 15.114 -15.846 1.00 0.00 H new ATOM 0 HG SER A 83 6.843 12.857 -15.759 1.00 0.00 H new ATOM 1248 N GLY A 84 8.501 17.351 -17.257 1.00 0.00 N ATOM 1249 CA GLY A 84 9.224 18.586 -17.020 1.00 0.00 C ATOM 1250 C GLY A 84 9.116 19.053 -15.581 1.00 0.00 C ATOM 1251 O GLY A 84 8.554 20.110 -15.290 1.00 0.00 O ATOM 0 H GLY A 84 7.487 17.424 -17.168 1.00 0.00 H new ATOM 0 HA2 GLY A 84 10.274 18.444 -17.275 1.00 0.00 H new ATOM 0 HA3 GLY A 84 8.838 19.362 -17.681 1.00 0.00 H new ATOM 1255 N PRO A 85 9.663 18.254 -14.653 1.00 0.00 N ATOM 1256 CA PRO A 85 9.638 18.571 -13.222 1.00 0.00 C ATOM 1257 C PRO A 85 10.535 19.753 -12.874 1.00 0.00 C ATOM 1258 O PRO A 85 11.353 20.184 -13.686 1.00 0.00 O ATOM 1259 CB PRO A 85 10.161 17.291 -12.566 1.00 0.00 C ATOM 1260 CG PRO A 85 10.997 16.642 -13.615 1.00 0.00 C ATOM 1261 CD PRO A 85 10.348 16.981 -14.929 1.00 0.00 C ATOM 0 HA PRO A 85 8.643 18.862 -12.887 1.00 0.00 H new ATOM 0 HB2 PRO A 85 10.747 17.514 -11.675 1.00 0.00 H new ATOM 0 HB3 PRO A 85 9.342 16.642 -12.255 1.00 0.00 H new ATOM 0 HG2 PRO A 85 12.023 17.010 -13.580 1.00 0.00 H new ATOM 0 HG3 PRO A 85 11.040 15.563 -13.468 1.00 0.00 H new ATOM 0 HD2 PRO A 85 11.084 17.086 -15.726 1.00 0.00 H new ATOM 0 HD3 PRO A 85 9.647 16.207 -15.242 1.00 0.00 H new ATOM 1269 N SER A 86 10.377 20.274 -11.661 1.00 0.00 N ATOM 1270 CA SER A 86 11.171 21.409 -11.207 1.00 0.00 C ATOM 1271 C SER A 86 12.028 21.026 -10.004 1.00 0.00 C ATOM 1272 O SER A 86 11.672 21.305 -8.860 1.00 0.00 O ATOM 1273 CB SER A 86 10.260 22.583 -10.844 1.00 0.00 C ATOM 1274 OG SER A 86 9.910 23.332 -11.995 1.00 0.00 O ATOM 0 H SER A 86 9.706 19.928 -10.975 1.00 0.00 H new ATOM 0 HA SER A 86 11.831 21.708 -12.021 1.00 0.00 H new ATOM 0 HB2 SER A 86 9.357 22.211 -10.360 1.00 0.00 H new ATOM 0 HB3 SER A 86 10.763 23.229 -10.125 1.00 0.00 H new ATOM 0 HG SER A 86 9.326 24.075 -11.736 1.00 0.00 H new ATOM 1280 N SER A 87 13.161 20.385 -10.274 1.00 0.00 N ATOM 1281 CA SER A 87 14.069 19.959 -9.215 1.00 0.00 C ATOM 1282 C SER A 87 15.418 19.541 -9.791 1.00 0.00 C ATOM 1283 O SER A 87 15.498 19.035 -10.909 1.00 0.00 O ATOM 1284 CB SER A 87 13.457 18.799 -8.426 1.00 0.00 C ATOM 1285 OG SER A 87 12.560 19.272 -7.436 1.00 0.00 O ATOM 0 H SER A 87 13.472 20.149 -11.216 1.00 0.00 H new ATOM 0 HA SER A 87 14.226 20.803 -8.544 1.00 0.00 H new ATOM 0 HB2 SER A 87 12.932 18.129 -9.107 1.00 0.00 H new ATOM 0 HB3 SER A 87 14.249 18.217 -7.955 1.00 0.00 H new ATOM 0 HG SER A 87 12.229 20.158 -7.691 1.00 0.00 H new ATOM 1291 N GLY A 88 16.478 19.759 -9.018 1.00 0.00 N ATOM 1292 CA GLY A 88 17.810 19.400 -9.468 1.00 0.00 C ATOM 1293 C GLY A 88 18.875 20.334 -8.928 1.00 0.00 C ATOM 1294 O GLY A 88 19.956 20.452 -9.505 1.00 0.00 O ATOM 0 H GLY A 88 16.438 20.178 -8.089 1.00 0.00 H new ATOM 0 HA2 GLY A 88 18.033 18.380 -9.156 1.00 0.00 H new ATOM 0 HA3 GLY A 88 17.838 19.413 -10.558 1.00 0.00 H new TER 1298 GLY A 88