USER MOD reduce.3.24.130724 H: found=0, std=0, add=733, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 731 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 15 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0403) USER MOD Set 1.2: A 85 SER OG : rot 177:sc= 0 USER MOD Set 2.1: A 30 SER OG : rot -131:sc= 0.569 USER MOD Set 2.2: A 34 THR OG1 : rot 130:sc= 1.4 USER MOD Set 2.3: A 57 GLN : amide:sc= -0.445 K(o=1.5,f=-2.2) 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 180:sc= 0 USER MOD Single : A 6 SER OG : rot 32:sc= 0.2 USER MOD Single : A 13 LYS NZ :NH3+ 166:sc= 0 (180deg=-0.101) USER MOD Single : A 14 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 26 SER OG : rot -49:sc=-0.00943 USER MOD Single : A 39 ASN :FLIP amide:sc= -0.0451 F(o=-0.95,f=-0.045) USER MOD Single : A 40 MET CE :methyl 169:sc= -0.649 (180deg=-0.752) USER MOD Single : A 41 MET CE :methyl 144:sc= -0.636 (180deg=-2.54!) USER MOD Single : A 42 HIS : no HD1:sc= -0.0218 X(o=-0.022,f=0) USER MOD Single : A 48 LYS NZ :NH3+ 142:sc= 0.457 (180deg=0.015) USER MOD Single : A 49 SER OG : rot -13:sc= -1.12 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 ASN :FLIP amide:sc= -3.82! C(o=-6.2!,f=-3.8!) USER MOD Single : A 59 MET CE :methyl 176:sc= -3.23! (180deg=-3.46!) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 62 ASN : amide:sc= -4.39! C(o=-4.4!,f=-11!) USER MOD Single : A 64 THR OG1 : rot 87:sc= 0.0112 USER MOD Single : A 65 SER OG : rot 39:sc= 0.12 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 73 THR OG1 : rot 30:sc= -0.812 USER MOD Single : A 74 CYS SG : rot 70:sc= 0.327 USER MOD Single : A 75 GLN : amide:sc= -0.0515 K(o=-0.052,f=-1.8!) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 ASN : amide:sc= -0.51 K(o=-0.51,f=-6.3!) USER MOD Single : A 84 GLN : amide:sc= -0.148 K(o=-0.15,f=-2.3!) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 ASN :FLIP amide:sc= -0.0392 F(o=-3.5!,f=-0.039) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -22.845 9.700 -2.745 1.00 0.00 N ATOM 2 CA GLY A 1 -21.853 10.284 -3.629 1.00 0.00 C ATOM 3 C GLY A 1 -20.577 9.468 -3.688 1.00 0.00 C ATOM 4 O GLY A 1 -19.852 9.364 -2.699 1.00 0.00 O ATOM 0 H1 GLY A 1 -23.698 10.295 -2.739 1.00 0.00 H new ATOM 0 H2 GLY A 1 -23.090 8.746 -3.080 1.00 0.00 H new ATOM 0 H3 GLY A 1 -22.459 9.640 -1.781 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -22.271 10.372 -4.632 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -21.620 11.294 -3.291 1.00 0.00 H new ATOM 8 N SER A 2 -20.302 8.885 -4.851 1.00 0.00 N ATOM 9 CA SER A 2 -19.107 8.068 -5.033 1.00 0.00 C ATOM 10 C SER A 2 -17.935 8.920 -5.511 1.00 0.00 C ATOM 11 O SER A 2 -18.123 10.031 -6.009 1.00 0.00 O ATOM 12 CB SER A 2 -19.379 6.946 -6.036 1.00 0.00 C ATOM 13 OG SER A 2 -18.379 5.945 -5.965 1.00 0.00 O ATOM 0 H SER A 2 -20.890 8.963 -5.681 1.00 0.00 H new ATOM 0 HA SER A 2 -18.846 7.629 -4.070 1.00 0.00 H new ATOM 0 HB2 SER A 2 -20.355 6.504 -5.836 1.00 0.00 H new ATOM 0 HB3 SER A 2 -19.416 7.357 -7.045 1.00 0.00 H new ATOM 0 HG SER A 2 -18.577 5.238 -6.615 1.00 0.00 H new ATOM 19 N SER A 3 -16.726 8.392 -5.356 1.00 0.00 N ATOM 20 CA SER A 3 -15.522 9.104 -5.768 1.00 0.00 C ATOM 21 C SER A 3 -14.377 8.130 -6.029 1.00 0.00 C ATOM 22 O SER A 3 -14.282 7.081 -5.393 1.00 0.00 O ATOM 23 CB SER A 3 -15.111 10.116 -4.697 1.00 0.00 C ATOM 24 OG SER A 3 -14.000 10.886 -5.123 1.00 0.00 O ATOM 0 H SER A 3 -16.554 7.473 -4.948 1.00 0.00 H new ATOM 0 HA SER A 3 -15.743 9.635 -6.694 1.00 0.00 H new ATOM 0 HB2 SER A 3 -15.950 10.775 -4.474 1.00 0.00 H new ATOM 0 HB3 SER A 3 -14.862 9.593 -3.774 1.00 0.00 H new ATOM 0 HG SER A 3 -13.758 11.526 -4.422 1.00 0.00 H new ATOM 30 N GLY A 4 -13.508 8.485 -6.971 1.00 0.00 N ATOM 31 CA GLY A 4 -12.381 7.633 -7.301 1.00 0.00 C ATOM 32 C GLY A 4 -12.740 6.562 -8.312 1.00 0.00 C ATOM 33 O GLY A 4 -13.901 6.167 -8.421 1.00 0.00 O ATOM 0 H GLY A 4 -13.565 9.348 -7.512 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -11.571 8.245 -7.697 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -12.009 7.160 -6.392 1.00 0.00 H new ATOM 37 N SER A 5 -11.743 6.092 -9.053 1.00 0.00 N ATOM 38 CA SER A 5 -11.960 5.064 -10.065 1.00 0.00 C ATOM 39 C SER A 5 -11.279 3.758 -9.667 1.00 0.00 C ATOM 40 O SER A 5 -10.599 3.686 -8.643 1.00 0.00 O ATOM 41 CB SER A 5 -11.434 5.534 -11.422 1.00 0.00 C ATOM 42 OG SER A 5 -10.019 5.466 -11.471 1.00 0.00 O ATOM 0 H SER A 5 -10.776 6.406 -8.972 1.00 0.00 H new ATOM 0 HA SER A 5 -13.033 4.886 -10.142 1.00 0.00 H new ATOM 0 HB2 SER A 5 -11.859 4.917 -12.214 1.00 0.00 H new ATOM 0 HB3 SER A 5 -11.759 6.558 -11.607 1.00 0.00 H new ATOM 0 HG SER A 5 -9.707 5.770 -12.349 1.00 0.00 H new ATOM 48 N SER A 6 -11.467 2.727 -10.484 1.00 0.00 N ATOM 49 CA SER A 6 -10.875 1.421 -10.217 1.00 0.00 C ATOM 50 C SER A 6 -9.883 1.041 -11.312 1.00 0.00 C ATOM 51 O SER A 6 -10.254 0.882 -12.474 1.00 0.00 O ATOM 52 CB SER A 6 -11.967 0.355 -10.109 1.00 0.00 C ATOM 53 OG SER A 6 -12.827 0.390 -11.234 1.00 0.00 O ATOM 0 H SER A 6 -12.025 2.770 -11.337 1.00 0.00 H new ATOM 0 HA SER A 6 -10.339 1.479 -9.270 1.00 0.00 H new ATOM 0 HB2 SER A 6 -11.510 -0.631 -10.027 1.00 0.00 H new ATOM 0 HB3 SER A 6 -12.546 0.514 -9.199 1.00 0.00 H new ATOM 0 HG SER A 6 -12.321 0.674 -12.024 1.00 0.00 H new ATOM 59 N GLY A 7 -8.617 0.896 -10.930 1.00 0.00 N ATOM 60 CA GLY A 7 -7.590 0.535 -11.890 1.00 0.00 C ATOM 61 C GLY A 7 -6.191 0.723 -11.339 1.00 0.00 C ATOM 62 O GLY A 7 -6.002 0.829 -10.127 1.00 0.00 O ATOM 0 H GLY A 7 -8.285 1.022 -9.974 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -7.724 -0.505 -12.187 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -7.708 1.140 -12.789 1.00 0.00 H new ATOM 66 N ASP A 8 -5.206 0.761 -12.230 1.00 0.00 N ATOM 67 CA ASP A 8 -3.816 0.936 -11.827 1.00 0.00 C ATOM 68 C ASP A 8 -3.600 2.312 -11.204 1.00 0.00 C ATOM 69 O ASP A 8 -3.980 3.332 -11.780 1.00 0.00 O ATOM 70 CB ASP A 8 -2.887 0.754 -13.028 1.00 0.00 C ATOM 71 CG ASP A 8 -2.969 1.911 -14.004 1.00 0.00 C ATOM 72 OD1 ASP A 8 -3.913 1.931 -14.822 1.00 0.00 O ATOM 73 OD2 ASP A 8 -2.090 2.797 -13.951 1.00 0.00 O ATOM 0 H ASP A 8 -5.345 0.673 -13.237 1.00 0.00 H new ATOM 0 HA ASP A 8 -3.582 0.178 -11.080 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -1.860 0.651 -12.677 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -3.142 -0.172 -13.544 1.00 0.00 H new ATOM 78 N VAL A 9 -2.987 2.333 -10.025 1.00 0.00 N ATOM 79 CA VAL A 9 -2.720 3.584 -9.324 1.00 0.00 C ATOM 80 C VAL A 9 -1.226 3.770 -9.083 1.00 0.00 C ATOM 81 O VAL A 9 -0.476 2.799 -8.988 1.00 0.00 O ATOM 82 CB VAL A 9 -3.458 3.639 -7.973 1.00 0.00 C ATOM 83 CG1 VAL A 9 -2.979 4.826 -7.151 1.00 0.00 C ATOM 84 CG2 VAL A 9 -4.962 3.702 -8.191 1.00 0.00 C ATOM 0 H VAL A 9 -2.666 1.498 -9.535 1.00 0.00 H new ATOM 0 HA VAL A 9 -3.085 4.389 -9.962 1.00 0.00 H new ATOM 0 HB VAL A 9 -3.232 2.729 -7.417 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -3.511 4.849 -6.200 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -1.909 4.732 -6.966 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -3.173 5.749 -7.697 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -5.468 3.740 -7.226 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -5.209 4.594 -8.766 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -5.288 2.817 -8.737 1.00 0.00 H new ATOM 94 N PHE A 10 -0.801 5.025 -8.984 1.00 0.00 N ATOM 95 CA PHE A 10 0.604 5.340 -8.754 1.00 0.00 C ATOM 96 C PHE A 10 0.753 6.397 -7.663 1.00 0.00 C ATOM 97 O PHE A 10 0.412 7.563 -7.862 1.00 0.00 O ATOM 98 CB PHE A 10 1.257 5.832 -10.047 1.00 0.00 C ATOM 99 CG PHE A 10 1.548 4.732 -11.028 1.00 0.00 C ATOM 100 CD1 PHE A 10 0.517 4.089 -11.694 1.00 0.00 C ATOM 101 CD2 PHE A 10 2.852 4.340 -11.282 1.00 0.00 C ATOM 102 CE1 PHE A 10 0.782 3.077 -12.597 1.00 0.00 C ATOM 103 CE2 PHE A 10 3.123 3.328 -12.184 1.00 0.00 C ATOM 104 CZ PHE A 10 2.087 2.695 -12.841 1.00 0.00 C ATOM 0 H PHE A 10 -1.409 5.840 -9.059 1.00 0.00 H new ATOM 0 HA PHE A 10 1.105 4.429 -8.425 1.00 0.00 H new ATOM 0 HB2 PHE A 10 0.603 6.565 -10.519 1.00 0.00 H new ATOM 0 HB3 PHE A 10 2.187 6.345 -9.802 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -0.505 4.382 -11.505 1.00 0.00 H new ATOM 0 HD2 PHE A 10 3.666 4.831 -10.770 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -0.030 2.585 -13.111 1.00 0.00 H new ATOM 0 HE2 PHE A 10 4.144 3.033 -12.374 1.00 0.00 H new ATOM 0 HZ PHE A 10 2.296 1.903 -13.544 1.00 0.00 H new ATOM 114 N ILE A 11 1.264 5.979 -6.509 1.00 0.00 N ATOM 115 CA ILE A 11 1.459 6.888 -5.387 1.00 0.00 C ATOM 116 C ILE A 11 2.861 7.488 -5.402 1.00 0.00 C ATOM 117 O ILE A 11 3.848 6.788 -5.178 1.00 0.00 O ATOM 118 CB ILE A 11 1.232 6.176 -4.040 1.00 0.00 C ATOM 119 CG1 ILE A 11 -0.226 5.731 -3.913 1.00 0.00 C ATOM 120 CG2 ILE A 11 1.615 7.091 -2.886 1.00 0.00 C ATOM 121 CD1 ILE A 11 -1.215 6.875 -3.973 1.00 0.00 C ATOM 0 H ILE A 11 1.550 5.017 -6.327 1.00 0.00 H new ATOM 0 HA ILE A 11 0.724 7.686 -5.496 1.00 0.00 H new ATOM 0 HB ILE A 11 1.867 5.291 -4.002 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -0.452 5.024 -4.711 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -0.354 5.200 -2.970 1.00 0.00 H new ATOM 0 HG21 ILE A 11 1.449 6.574 -1.941 1.00 0.00 H new ATOM 0 HG22 ILE A 11 2.667 7.363 -2.971 1.00 0.00 H new ATOM 0 HG23 ILE A 11 1.004 7.993 -2.918 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -2.228 6.485 -3.877 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -1.015 7.572 -3.159 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -1.115 7.393 -4.927 1.00 0.00 H new ATOM 133 N GLU A 12 2.939 8.789 -5.666 1.00 0.00 N ATOM 134 CA GLU A 12 4.221 9.483 -5.709 1.00 0.00 C ATOM 135 C GLU A 12 4.522 10.153 -4.372 1.00 0.00 C ATOM 136 O GLU A 12 3.877 11.133 -3.996 1.00 0.00 O ATOM 137 CB GLU A 12 4.224 10.526 -6.828 1.00 0.00 C ATOM 138 CG GLU A 12 4.506 9.944 -8.203 1.00 0.00 C ATOM 139 CD GLU A 12 5.105 10.961 -9.155 1.00 0.00 C ATOM 140 OE1 GLU A 12 6.320 11.229 -9.051 1.00 0.00 O ATOM 141 OE2 GLU A 12 4.358 11.490 -10.004 1.00 0.00 O ATOM 0 H GLU A 12 2.131 9.383 -5.853 1.00 0.00 H new ATOM 0 HA GLU A 12 4.998 8.745 -5.908 1.00 0.00 H new ATOM 0 HB2 GLU A 12 3.257 11.029 -6.847 1.00 0.00 H new ATOM 0 HB3 GLU A 12 4.973 11.285 -6.604 1.00 0.00 H new ATOM 0 HG2 GLU A 12 5.188 9.100 -8.103 1.00 0.00 H new ATOM 0 HG3 GLU A 12 3.579 9.557 -8.627 1.00 0.00 H new ATOM 148 N LYS A 13 5.506 9.619 -3.657 1.00 0.00 N ATOM 149 CA LYS A 13 5.894 10.164 -2.362 1.00 0.00 C ATOM 150 C LYS A 13 7.407 10.343 -2.278 1.00 0.00 C ATOM 151 O LYS A 13 8.121 10.125 -3.256 1.00 0.00 O ATOM 152 CB LYS A 13 5.416 9.247 -1.234 1.00 0.00 C ATOM 153 CG LYS A 13 6.233 7.974 -1.098 1.00 0.00 C ATOM 154 CD LYS A 13 6.175 7.423 0.317 1.00 0.00 C ATOM 155 CE LYS A 13 6.465 5.930 0.346 1.00 0.00 C ATOM 156 NZ LYS A 13 5.238 5.122 0.104 1.00 0.00 N ATOM 0 H LYS A 13 6.050 8.808 -3.953 1.00 0.00 H new ATOM 0 HA LYS A 13 5.423 11.141 -2.252 1.00 0.00 H new ATOM 0 HB2 LYS A 13 5.452 9.794 -0.292 1.00 0.00 H new ATOM 0 HB3 LYS A 13 4.373 8.983 -1.409 1.00 0.00 H new ATOM 0 HG2 LYS A 13 5.860 7.225 -1.797 1.00 0.00 H new ATOM 0 HG3 LYS A 13 7.269 8.175 -1.369 1.00 0.00 H new ATOM 0 HD2 LYS A 13 6.897 7.947 0.943 1.00 0.00 H new ATOM 0 HD3 LYS A 13 5.189 7.612 0.742 1.00 0.00 H new ATOM 0 HE2 LYS A 13 7.213 5.691 -0.410 1.00 0.00 H new ATOM 0 HE3 LYS A 13 6.892 5.662 1.312 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 5.505 4.139 -0.104 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 4.635 5.145 0.951 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 4.716 5.517 -0.704 1.00 0.00 H new ATOM 170 N GLN A 14 7.887 10.740 -1.104 1.00 0.00 N ATOM 171 CA GLN A 14 9.315 10.946 -0.894 1.00 0.00 C ATOM 172 C GLN A 14 9.924 9.787 -0.112 1.00 0.00 C ATOM 173 O GLN A 14 9.389 9.366 0.913 1.00 0.00 O ATOM 174 CB GLN A 14 9.558 12.261 -0.151 1.00 0.00 C ATOM 175 CG GLN A 14 9.171 13.494 -0.953 1.00 0.00 C ATOM 176 CD GLN A 14 9.529 14.786 -0.246 1.00 0.00 C ATOM 177 OE1 GLN A 14 10.204 14.777 0.784 1.00 0.00 O ATOM 178 NE2 GLN A 14 9.078 15.907 -0.796 1.00 0.00 N ATOM 0 H GLN A 14 7.309 10.925 -0.285 1.00 0.00 H new ATOM 0 HA GLN A 14 9.797 10.994 -1.871 1.00 0.00 H new ATOM 0 HB2 GLN A 14 8.993 12.252 0.781 1.00 0.00 H new ATOM 0 HB3 GLN A 14 10.613 12.328 0.116 1.00 0.00 H new ATOM 0 HG2 GLN A 14 9.670 13.464 -1.922 1.00 0.00 H new ATOM 0 HG3 GLN A 14 8.098 13.475 -1.146 1.00 0.00 H new ATOM 0 HE21 GLN A 14 8.522 15.868 -1.650 1.00 0.00 H new ATOM 0 HE22 GLN A 14 9.288 16.807 -0.364 1.00 0.00 H new ATOM 187 N LYS A 15 11.047 9.274 -0.604 1.00 0.00 N ATOM 188 CA LYS A 15 11.731 8.163 0.048 1.00 0.00 C ATOM 189 C LYS A 15 11.960 8.458 1.527 1.00 0.00 C ATOM 190 O LYS A 15 12.094 9.614 1.926 1.00 0.00 O ATOM 191 CB LYS A 15 13.069 7.886 -0.641 1.00 0.00 C ATOM 192 CG LYS A 15 12.939 7.592 -2.125 1.00 0.00 C ATOM 193 CD LYS A 15 14.223 7.912 -2.871 1.00 0.00 C ATOM 194 CE LYS A 15 14.037 7.795 -4.376 1.00 0.00 C ATOM 195 NZ LYS A 15 13.595 9.081 -4.982 1.00 0.00 N ATOM 0 H LYS A 15 11.503 9.610 -1.452 1.00 0.00 H new ATOM 0 HA LYS A 15 11.097 7.280 -0.034 1.00 0.00 H new ATOM 0 HB2 LYS A 15 13.723 8.747 -0.506 1.00 0.00 H new ATOM 0 HB3 LYS A 15 13.551 7.040 -0.152 1.00 0.00 H new ATOM 0 HG2 LYS A 15 12.686 6.541 -2.268 1.00 0.00 H new ATOM 0 HG3 LYS A 15 12.119 8.177 -2.542 1.00 0.00 H new ATOM 0 HD2 LYS A 15 14.548 8.922 -2.621 1.00 0.00 H new ATOM 0 HD3 LYS A 15 15.012 7.233 -2.547 1.00 0.00 H new ATOM 0 HE2 LYS A 15 14.975 7.481 -4.834 1.00 0.00 H new ATOM 0 HE3 LYS A 15 13.301 7.020 -4.592 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 13.382 8.935 -5.989 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 12.742 9.420 -4.493 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 14.352 9.788 -4.887 1.00 0.00 H new ATOM 209 N GLY A 16 12.005 7.404 2.337 1.00 0.00 N ATOM 210 CA GLY A 16 12.220 7.572 3.762 1.00 0.00 C ATOM 211 C GLY A 16 10.922 7.736 4.528 1.00 0.00 C ATOM 212 O GLY A 16 10.863 7.462 5.726 1.00 0.00 O ATOM 0 H GLY A 16 11.896 6.437 2.031 1.00 0.00 H new ATOM 0 HA2 GLY A 16 12.760 6.708 4.149 1.00 0.00 H new ATOM 0 HA3 GLY A 16 12.851 8.445 3.931 1.00 0.00 H new ATOM 216 N GLU A 17 9.881 8.187 3.836 1.00 0.00 N ATOM 217 CA GLU A 17 8.579 8.389 4.461 1.00 0.00 C ATOM 218 C GLU A 17 7.666 7.191 4.216 1.00 0.00 C ATOM 219 O GLU A 17 7.886 6.408 3.291 1.00 0.00 O ATOM 220 CB GLU A 17 7.923 9.663 3.923 1.00 0.00 C ATOM 221 CG GLU A 17 8.908 10.788 3.655 1.00 0.00 C ATOM 222 CD GLU A 17 9.475 11.383 4.929 1.00 0.00 C ATOM 223 OE1 GLU A 17 8.750 12.147 5.599 1.00 0.00 O ATOM 224 OE2 GLU A 17 10.643 11.086 5.254 1.00 0.00 O ATOM 0 H GLU A 17 9.913 8.419 2.843 1.00 0.00 H new ATOM 0 HA GLU A 17 8.732 8.493 5.535 1.00 0.00 H new ATOM 0 HB2 GLU A 17 7.394 9.427 3.000 1.00 0.00 H new ATOM 0 HB3 GLU A 17 7.177 10.008 4.639 1.00 0.00 H new ATOM 0 HG2 GLU A 17 9.725 10.412 3.039 1.00 0.00 H new ATOM 0 HG3 GLU A 17 8.412 11.571 3.082 1.00 0.00 H new ATOM 231 N ILE A 18 6.641 7.056 5.051 1.00 0.00 N ATOM 232 CA ILE A 18 5.694 5.955 4.926 1.00 0.00 C ATOM 233 C ILE A 18 4.545 6.321 3.993 1.00 0.00 C ATOM 234 O ILE A 18 4.385 7.482 3.613 1.00 0.00 O ATOM 235 CB ILE A 18 5.119 5.548 6.295 1.00 0.00 C ATOM 236 CG1 ILE A 18 4.513 6.763 7.000 1.00 0.00 C ATOM 237 CG2 ILE A 18 6.201 4.914 7.157 1.00 0.00 C ATOM 238 CD1 ILE A 18 3.568 6.401 8.124 1.00 0.00 C ATOM 0 H ILE A 18 6.445 7.695 5.821 1.00 0.00 H new ATOM 0 HA ILE A 18 6.244 5.112 4.508 1.00 0.00 H new ATOM 0 HB ILE A 18 4.330 4.813 6.137 1.00 0.00 H new ATOM 0 HG12 ILE A 18 5.318 7.381 7.398 1.00 0.00 H new ATOM 0 HG13 ILE A 18 3.979 7.368 6.268 1.00 0.00 H new ATOM 0 HG21 ILE A 18 5.779 4.632 8.122 1.00 0.00 H new ATOM 0 HG22 ILE A 18 6.591 4.027 6.658 1.00 0.00 H new ATOM 0 HG23 ILE A 18 7.010 5.629 7.310 1.00 0.00 H new ATOM 0 HD11 ILE A 18 3.177 7.312 8.578 1.00 0.00 H new ATOM 0 HD12 ILE A 18 2.743 5.809 7.729 1.00 0.00 H new ATOM 0 HD13 ILE A 18 4.103 5.821 8.876 1.00 0.00 H new ATOM 250 N LEU A 19 3.746 5.325 3.629 1.00 0.00 N ATOM 251 CA LEU A 19 2.608 5.542 2.741 1.00 0.00 C ATOM 252 C LEU A 19 1.507 6.326 3.449 1.00 0.00 C ATOM 253 O LEU A 19 0.463 6.614 2.865 1.00 0.00 O ATOM 254 CB LEU A 19 2.059 4.203 2.246 1.00 0.00 C ATOM 255 CG LEU A 19 0.996 4.278 1.149 1.00 0.00 C ATOM 256 CD1 LEU A 19 1.546 4.985 -0.080 1.00 0.00 C ATOM 257 CD2 LEU A 19 0.503 2.884 0.789 1.00 0.00 C ATOM 0 H LEU A 19 3.864 4.359 3.934 1.00 0.00 H new ATOM 0 HA LEU A 19 2.952 6.125 1.886 1.00 0.00 H new ATOM 0 HB2 LEU A 19 2.892 3.606 1.876 1.00 0.00 H new ATOM 0 HB3 LEU A 19 1.637 3.669 3.097 1.00 0.00 H new ATOM 0 HG LEU A 19 0.151 4.855 1.526 1.00 0.00 H new ATOM 0 HD11 LEU A 19 0.776 5.029 -0.850 1.00 0.00 H new ATOM 0 HD12 LEU A 19 1.849 5.997 0.188 1.00 0.00 H new ATOM 0 HD13 LEU A 19 2.408 4.436 -0.460 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -0.253 2.956 0.007 1.00 0.00 H new ATOM 0 HD22 LEU A 19 1.339 2.283 0.431 1.00 0.00 H new ATOM 0 HD23 LEU A 19 0.069 2.413 1.671 1.00 0.00 H new ATOM 269 N GLY A 20 1.749 6.669 4.710 1.00 0.00 N ATOM 270 CA GLY A 20 0.770 7.418 5.476 1.00 0.00 C ATOM 271 C GLY A 20 -0.651 6.974 5.192 1.00 0.00 C ATOM 272 O GLY A 20 -1.523 7.797 4.915 1.00 0.00 O ATOM 0 H GLY A 20 2.606 6.442 5.215 1.00 0.00 H new ATOM 0 HA2 GLY A 20 0.978 7.301 6.539 1.00 0.00 H new ATOM 0 HA3 GLY A 20 0.869 8.479 5.247 1.00 0.00 H new ATOM 276 N VAL A 21 -0.886 5.667 5.260 1.00 0.00 N ATOM 277 CA VAL A 21 -2.211 5.114 5.008 1.00 0.00 C ATOM 278 C VAL A 21 -2.420 3.815 5.777 1.00 0.00 C ATOM 279 O VAL A 21 -1.508 2.996 5.893 1.00 0.00 O ATOM 280 CB VAL A 21 -2.433 4.851 3.506 1.00 0.00 C ATOM 281 CG1 VAL A 21 -1.840 3.508 3.107 1.00 0.00 C ATOM 282 CG2 VAL A 21 -3.914 4.911 3.168 1.00 0.00 C ATOM 0 H VAL A 21 -0.175 4.972 5.488 1.00 0.00 H new ATOM 0 HA VAL A 21 -2.934 5.855 5.350 1.00 0.00 H new ATOM 0 HB VAL A 21 -1.923 5.630 2.939 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -2.006 3.339 2.043 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -0.769 3.508 3.312 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -2.319 2.714 3.680 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -4.052 4.723 2.103 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -4.449 4.155 3.742 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -4.304 5.898 3.416 1.00 0.00 H new ATOM 292 N VAL A 22 -3.628 3.631 6.301 1.00 0.00 N ATOM 293 CA VAL A 22 -3.958 2.430 7.058 1.00 0.00 C ATOM 294 C VAL A 22 -4.832 1.487 6.239 1.00 0.00 C ATOM 295 O VAL A 22 -5.709 1.926 5.494 1.00 0.00 O ATOM 296 CB VAL A 22 -4.686 2.776 8.370 1.00 0.00 C ATOM 297 CG1 VAL A 22 -4.965 1.516 9.175 1.00 0.00 C ATOM 298 CG2 VAL A 22 -3.872 3.770 9.185 1.00 0.00 C ATOM 0 H VAL A 22 -4.394 4.299 6.215 1.00 0.00 H new ATOM 0 HA VAL A 22 -3.016 1.935 7.293 1.00 0.00 H new ATOM 0 HB VAL A 22 -5.641 3.239 8.123 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -5.480 1.781 10.099 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -5.592 0.842 8.591 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -4.024 1.021 9.414 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -4.402 4.003 10.109 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -2.901 3.336 9.423 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -3.730 4.684 8.608 1.00 0.00 H new ATOM 308 N ILE A 23 -4.588 0.189 6.382 1.00 0.00 N ATOM 309 CA ILE A 23 -5.354 -0.817 5.656 1.00 0.00 C ATOM 310 C ILE A 23 -5.933 -1.859 6.607 1.00 0.00 C ATOM 311 O ILE A 23 -5.409 -2.078 7.699 1.00 0.00 O ATOM 312 CB ILE A 23 -4.489 -1.528 4.598 1.00 0.00 C ATOM 313 CG1 ILE A 23 -3.289 -2.207 5.261 1.00 0.00 C ATOM 314 CG2 ILE A 23 -4.027 -0.538 3.539 1.00 0.00 C ATOM 315 CD1 ILE A 23 -2.753 -3.386 4.479 1.00 0.00 C ATOM 0 H ILE A 23 -3.866 -0.191 6.994 1.00 0.00 H new ATOM 0 HA ILE A 23 -6.168 -0.293 5.155 1.00 0.00 H new ATOM 0 HB ILE A 23 -5.093 -2.294 4.112 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -2.492 -1.474 5.389 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -3.577 -2.543 6.257 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -3.417 -1.055 2.799 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -4.895 -0.097 3.050 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -3.437 0.249 4.009 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -1.904 -3.818 5.008 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -3.535 -4.138 4.373 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -2.434 -3.053 3.491 1.00 0.00 H new ATOM 327 N VAL A 24 -7.017 -2.501 6.183 1.00 0.00 N ATOM 328 CA VAL A 24 -7.667 -3.523 6.995 1.00 0.00 C ATOM 329 C VAL A 24 -8.184 -4.666 6.130 1.00 0.00 C ATOM 330 O VAL A 24 -8.021 -4.657 4.910 1.00 0.00 O ATOM 331 CB VAL A 24 -8.838 -2.936 7.805 1.00 0.00 C ATOM 332 CG1 VAL A 24 -8.332 -1.917 8.815 1.00 0.00 C ATOM 333 CG2 VAL A 24 -9.867 -2.311 6.875 1.00 0.00 C ATOM 0 H VAL A 24 -7.464 -2.331 5.282 1.00 0.00 H new ATOM 0 HA VAL A 24 -6.914 -3.905 7.684 1.00 0.00 H new ATOM 0 HB VAL A 24 -9.320 -3.746 8.353 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -9.174 -1.513 9.378 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -7.635 -2.399 9.501 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -7.824 -1.107 8.291 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -10.688 -1.901 7.464 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -9.399 -1.513 6.299 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -10.252 -3.071 6.195 1.00 0.00 H new ATOM 343 N GLU A 25 -8.810 -5.649 6.769 1.00 0.00 N ATOM 344 CA GLU A 25 -9.351 -6.800 6.057 1.00 0.00 C ATOM 345 C GLU A 25 -10.512 -6.386 5.156 1.00 0.00 C ATOM 346 O GLU A 25 -11.449 -5.722 5.599 1.00 0.00 O ATOM 347 CB GLU A 25 -9.817 -7.869 7.048 1.00 0.00 C ATOM 348 CG GLU A 25 -8.804 -8.168 8.141 1.00 0.00 C ATOM 349 CD GLU A 25 -9.324 -9.162 9.161 1.00 0.00 C ATOM 350 OE1 GLU A 25 -9.177 -10.381 8.929 1.00 0.00 O ATOM 351 OE2 GLU A 25 -9.877 -8.723 10.191 1.00 0.00 O ATOM 0 H GLU A 25 -8.955 -5.671 7.778 1.00 0.00 H new ATOM 0 HA GLU A 25 -8.559 -7.214 5.433 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -10.750 -7.544 7.508 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -10.033 -8.788 6.503 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -7.893 -8.560 7.689 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -8.536 -7.240 8.647 1.00 0.00 H new ATOM 358 N SER A 26 -10.441 -6.783 3.890 1.00 0.00 N ATOM 359 CA SER A 26 -11.483 -6.450 2.925 1.00 0.00 C ATOM 360 C SER A 26 -12.555 -7.535 2.888 1.00 0.00 C ATOM 361 O SER A 26 -13.292 -7.661 1.911 1.00 0.00 O ATOM 362 CB SER A 26 -10.877 -6.267 1.532 1.00 0.00 C ATOM 363 OG SER A 26 -11.780 -5.600 0.668 1.00 0.00 O ATOM 0 H SER A 26 -9.673 -7.335 3.508 1.00 0.00 H new ATOM 0 HA SER A 26 -11.948 -5.515 3.237 1.00 0.00 H new ATOM 0 HB2 SER A 26 -9.951 -5.696 1.607 1.00 0.00 H new ATOM 0 HB3 SER A 26 -10.619 -7.240 1.113 1.00 0.00 H new ATOM 0 HG SER A 26 -12.659 -6.031 0.717 1.00 0.00 H new ATOM 369 N GLY A 27 -12.636 -8.316 3.961 1.00 0.00 N ATOM 370 CA GLY A 27 -13.621 -9.379 4.031 1.00 0.00 C ATOM 371 C GLY A 27 -14.984 -8.880 4.466 1.00 0.00 C ATOM 372 O GLY A 27 -15.456 -9.211 5.553 1.00 0.00 O ATOM 0 H GLY A 27 -12.037 -8.231 4.782 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -13.707 -9.855 3.054 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -13.278 -10.143 4.729 1.00 0.00 H new ATOM 376 N TRP A 28 -15.617 -8.079 3.616 1.00 0.00 N ATOM 377 CA TRP A 28 -16.935 -7.532 3.919 1.00 0.00 C ATOM 378 C TRP A 28 -17.952 -7.944 2.861 1.00 0.00 C ATOM 379 O TRP A 28 -18.794 -8.809 3.100 1.00 0.00 O ATOM 380 CB TRP A 28 -16.866 -6.006 4.011 1.00 0.00 C ATOM 381 CG TRP A 28 -15.925 -5.517 5.070 1.00 0.00 C ATOM 382 CD1 TRP A 28 -14.560 -5.547 5.030 1.00 0.00 C ATOM 383 CD2 TRP A 28 -16.278 -4.926 6.325 1.00 0.00 C ATOM 384 NE1 TRP A 28 -14.044 -5.011 6.185 1.00 0.00 N ATOM 385 CE2 TRP A 28 -15.077 -4.622 6.995 1.00 0.00 C ATOM 386 CE3 TRP A 28 -17.492 -4.623 6.947 1.00 0.00 C ATOM 387 CZ2 TRP A 28 -15.058 -4.031 8.256 1.00 0.00 C ATOM 388 CZ3 TRP A 28 -17.471 -4.037 8.198 1.00 0.00 C ATOM 389 CH2 TRP A 28 -16.261 -3.745 8.841 1.00 0.00 C ATOM 0 H TRP A 28 -15.239 -7.794 2.712 1.00 0.00 H new ATOM 0 HA TRP A 28 -17.256 -7.934 4.880 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -16.556 -5.605 3.046 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -17.864 -5.616 4.213 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -13.973 -5.935 4.211 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -13.052 -4.918 6.404 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -18.430 -4.843 6.459 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -14.127 -3.806 8.754 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -18.403 -3.800 8.689 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -16.278 -3.285 9.818 1.00 0.00 H new ATOM 400 N GLY A 29 -17.870 -7.319 1.691 1.00 0.00 N ATOM 401 CA GLY A 29 -18.790 -7.635 0.614 1.00 0.00 C ATOM 402 C GLY A 29 -18.079 -7.901 -0.698 1.00 0.00 C ATOM 403 O GLY A 29 -18.615 -8.575 -1.577 1.00 0.00 O ATOM 0 H GLY A 29 -17.182 -6.599 1.469 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -19.379 -8.510 0.888 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -19.489 -6.809 0.484 1.00 0.00 H new ATOM 407 N SER A 30 -16.868 -7.369 -0.830 1.00 0.00 N ATOM 408 CA SER A 30 -16.083 -7.548 -2.047 1.00 0.00 C ATOM 409 C SER A 30 -15.892 -9.030 -2.357 1.00 0.00 C ATOM 410 O SER A 30 -16.196 -9.892 -1.532 1.00 0.00 O ATOM 411 CB SER A 30 -14.722 -6.865 -1.906 1.00 0.00 C ATOM 412 OG SER A 30 -14.777 -5.522 -2.355 1.00 0.00 O ATOM 0 H SER A 30 -16.409 -6.811 -0.110 1.00 0.00 H new ATOM 0 HA SER A 30 -16.628 -7.089 -2.872 1.00 0.00 H new ATOM 0 HB2 SER A 30 -14.405 -6.891 -0.863 1.00 0.00 H new ATOM 0 HB3 SER A 30 -13.975 -7.413 -2.480 1.00 0.00 H new ATOM 0 HG SER A 30 -14.035 -5.353 -2.972 1.00 0.00 H new ATOM 418 N ILE A 31 -15.386 -9.317 -3.551 1.00 0.00 N ATOM 419 CA ILE A 31 -15.152 -10.693 -3.971 1.00 0.00 C ATOM 420 C ILE A 31 -13.780 -11.181 -3.518 1.00 0.00 C ATOM 421 O ILE A 31 -13.651 -12.263 -2.945 1.00 0.00 O ATOM 422 CB ILE A 31 -15.259 -10.842 -5.500 1.00 0.00 C ATOM 423 CG1 ILE A 31 -16.393 -9.969 -6.041 1.00 0.00 C ATOM 424 CG2 ILE A 31 -15.478 -12.299 -5.876 1.00 0.00 C ATOM 425 CD1 ILE A 31 -15.953 -8.572 -6.419 1.00 0.00 C ATOM 0 H ILE A 31 -15.130 -8.615 -4.245 1.00 0.00 H new ATOM 0 HA ILE A 31 -15.925 -11.301 -3.501 1.00 0.00 H new ATOM 0 HB ILE A 31 -14.324 -10.509 -5.949 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -16.828 -10.453 -6.915 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -17.180 -9.902 -5.289 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -15.552 -12.388 -6.960 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -14.639 -12.897 -5.519 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -16.400 -12.658 -5.419 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -16.808 -8.010 -6.794 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -15.545 -8.069 -5.542 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -15.188 -8.629 -7.193 1.00 0.00 H new ATOM 437 N LEU A 32 -12.757 -10.374 -3.777 1.00 0.00 N ATOM 438 CA LEU A 32 -11.392 -10.722 -3.395 1.00 0.00 C ATOM 439 C LEU A 32 -10.975 -9.978 -2.130 1.00 0.00 C ATOM 440 O LEU A 32 -10.570 -8.816 -2.169 1.00 0.00 O ATOM 441 CB LEU A 32 -10.424 -10.397 -4.534 1.00 0.00 C ATOM 442 CG LEU A 32 -10.394 -11.393 -5.694 1.00 0.00 C ATOM 443 CD1 LEU A 32 -9.797 -12.717 -5.244 1.00 0.00 C ATOM 444 CD2 LEU A 32 -11.793 -11.600 -6.256 1.00 0.00 C ATOM 0 H LEU A 32 -12.846 -9.475 -4.250 1.00 0.00 H new ATOM 0 HA LEU A 32 -11.359 -11.793 -3.193 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -10.679 -9.415 -4.931 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -9.419 -10.322 -4.119 1.00 0.00 H new ATOM 0 HG LEU A 32 -9.764 -10.983 -6.484 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -9.784 -13.414 -6.082 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -8.779 -12.555 -4.890 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -10.400 -13.132 -4.437 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -11.752 -12.312 -7.081 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -12.446 -11.988 -5.474 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -12.185 -10.649 -6.617 1.00 0.00 H new ATOM 456 N PRO A 33 -11.074 -10.663 -0.981 1.00 0.00 N ATOM 457 CA PRO A 33 -10.710 -10.088 0.317 1.00 0.00 C ATOM 458 C PRO A 33 -9.205 -9.880 0.457 1.00 0.00 C ATOM 459 O PRO A 33 -8.492 -10.747 0.964 1.00 0.00 O ATOM 460 CB PRO A 33 -11.200 -11.136 1.319 1.00 0.00 C ATOM 461 CG PRO A 33 -11.206 -12.416 0.557 1.00 0.00 C ATOM 462 CD PRO A 33 -11.550 -12.051 -0.861 1.00 0.00 C ATOM 0 HA PRO A 33 -11.148 -9.101 0.463 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -10.541 -11.194 2.185 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -12.195 -10.893 1.692 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -10.234 -12.906 0.609 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -11.936 -13.112 0.969 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -11.056 -12.708 -1.576 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -12.621 -12.126 -1.047 1.00 0.00 H new ATOM 470 N THR A 34 -8.727 -8.725 0.004 1.00 0.00 N ATOM 471 CA THR A 34 -7.308 -8.404 0.078 1.00 0.00 C ATOM 472 C THR A 34 -7.028 -7.402 1.192 1.00 0.00 C ATOM 473 O THR A 34 -6.516 -7.763 2.252 1.00 0.00 O ATOM 474 CB THR A 34 -6.792 -7.830 -1.255 1.00 0.00 C ATOM 475 OG1 THR A 34 -7.525 -6.648 -1.596 1.00 0.00 O ATOM 476 CG2 THR A 34 -6.922 -8.854 -2.372 1.00 0.00 C ATOM 0 H THR A 34 -9.303 -7.996 -0.418 1.00 0.00 H new ATOM 0 HA THR A 34 -6.784 -9.336 0.291 1.00 0.00 H new ATOM 0 HB THR A 34 -5.738 -7.581 -1.134 1.00 0.00 H new ATOM 0 HG1 THR A 34 -6.899 -5.925 -1.811 1.00 0.00 H new ATOM 0 HG21 THR A 34 -6.551 -8.426 -3.303 1.00 0.00 H new ATOM 0 HG22 THR A 34 -6.339 -9.740 -2.123 1.00 0.00 H new ATOM 0 HG23 THR A 34 -7.969 -9.131 -2.492 1.00 0.00 H new ATOM 484 N VAL A 35 -7.368 -6.140 0.946 1.00 0.00 N ATOM 485 CA VAL A 35 -7.155 -5.086 1.930 1.00 0.00 C ATOM 486 C VAL A 35 -7.729 -3.759 1.446 1.00 0.00 C ATOM 487 O VAL A 35 -7.630 -3.422 0.266 1.00 0.00 O ATOM 488 CB VAL A 35 -5.658 -4.902 2.241 1.00 0.00 C ATOM 489 CG1 VAL A 35 -5.235 -5.809 3.387 1.00 0.00 C ATOM 490 CG2 VAL A 35 -4.820 -5.171 1.000 1.00 0.00 C ATOM 0 H VAL A 35 -7.792 -5.824 0.074 1.00 0.00 H new ATOM 0 HA VAL A 35 -7.672 -5.393 2.839 1.00 0.00 H new ATOM 0 HB VAL A 35 -5.492 -3.869 2.547 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -4.174 -5.665 3.592 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -5.814 -5.564 4.278 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -5.414 -6.849 3.113 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -3.765 -5.036 1.237 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -4.988 -6.193 0.662 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -5.106 -4.476 0.210 1.00 0.00 H new ATOM 500 N ILE A 36 -8.328 -3.009 2.365 1.00 0.00 N ATOM 501 CA ILE A 36 -8.916 -1.717 2.032 1.00 0.00 C ATOM 502 C ILE A 36 -8.418 -0.627 2.975 1.00 0.00 C ATOM 503 O ILE A 36 -8.051 -0.901 4.118 1.00 0.00 O ATOM 504 CB ILE A 36 -10.454 -1.768 2.090 1.00 0.00 C ATOM 505 CG1 ILE A 36 -10.915 -2.447 3.382 1.00 0.00 C ATOM 506 CG2 ILE A 36 -11.006 -2.497 0.875 1.00 0.00 C ATOM 507 CD1 ILE A 36 -12.401 -2.315 3.636 1.00 0.00 C ATOM 0 H ILE A 36 -8.419 -3.274 3.346 1.00 0.00 H new ATOM 0 HA ILE A 36 -8.606 -1.482 1.014 1.00 0.00 H new ATOM 0 HB ILE A 36 -10.838 -0.748 2.081 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -10.654 -3.504 3.340 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -10.371 -2.017 4.223 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -12.094 -2.525 0.931 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -10.702 -1.974 -0.032 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -10.618 -3.515 0.854 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -12.657 -2.819 4.568 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -12.665 -1.260 3.710 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -12.953 -2.770 2.814 1.00 0.00 H new ATOM 519 N ILE A 37 -8.410 0.609 2.489 1.00 0.00 N ATOM 520 CA ILE A 37 -7.960 1.741 3.289 1.00 0.00 C ATOM 521 C ILE A 37 -8.930 2.028 4.430 1.00 0.00 C ATOM 522 O ILE A 37 -10.106 2.309 4.202 1.00 0.00 O ATOM 523 CB ILE A 37 -7.805 3.011 2.431 1.00 0.00 C ATOM 524 CG1 ILE A 37 -7.104 2.679 1.112 1.00 0.00 C ATOM 525 CG2 ILE A 37 -7.031 4.075 3.195 1.00 0.00 C ATOM 526 CD1 ILE A 37 -8.057 2.307 -0.002 1.00 0.00 C ATOM 0 H ILE A 37 -8.710 0.852 1.545 1.00 0.00 H new ATOM 0 HA ILE A 37 -6.988 1.469 3.701 1.00 0.00 H new ATOM 0 HB ILE A 37 -8.797 3.403 2.205 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -6.510 3.538 0.799 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -6.410 1.854 1.276 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -6.930 4.966 2.576 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -7.567 4.328 4.110 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -6.041 3.694 3.447 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -7.491 2.085 -0.906 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -8.633 1.429 0.290 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -8.735 3.139 -0.194 1.00 0.00 H new ATOM 538 N ALA A 38 -8.428 1.956 5.658 1.00 0.00 N ATOM 539 CA ALA A 38 -9.249 2.212 6.835 1.00 0.00 C ATOM 540 C ALA A 38 -9.126 3.663 7.285 1.00 0.00 C ATOM 541 O ALA A 38 -10.045 4.215 7.890 1.00 0.00 O ATOM 542 CB ALA A 38 -8.857 1.272 7.966 1.00 0.00 C ATOM 0 H ALA A 38 -7.457 1.722 5.864 1.00 0.00 H new ATOM 0 HA ALA A 38 -10.290 2.029 6.568 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -9.478 1.474 8.839 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -9.003 0.240 7.648 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -7.809 1.428 8.222 1.00 0.00 H new ATOM 548 N ASN A 39 -7.985 4.276 6.987 1.00 0.00 N ATOM 549 CA ASN A 39 -7.743 5.665 7.363 1.00 0.00 C ATOM 550 C ASN A 39 -6.558 6.238 6.590 1.00 0.00 C ATOM 551 O ASN A 39 -5.671 5.503 6.159 1.00 0.00 O ATOM 552 CB ASN A 39 -7.484 5.770 8.867 1.00 0.00 C ATOM 553 CG ASN A 39 -7.898 7.115 9.432 1.00 0.00 C ATOM 554 OD1 ASN A 39 -7.078 8.133 9.196 1.00 0.00 O flip ATOM 555 ND2 ASN A 39 -8.942 7.237 10.072 1.00 0.00 N flip ATOM 0 H ASN A 39 -7.214 3.834 6.487 1.00 0.00 H new ATOM 0 HA ASN A 39 -8.632 6.244 7.113 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -8.028 4.979 9.383 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -6.424 5.607 9.063 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -9.542 6.427 10.229 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -9.208 8.148 10.446 1.00 0.00 H new ATOM 562 N MET A 40 -6.552 7.556 6.420 1.00 0.00 N ATOM 563 CA MET A 40 -5.476 8.228 5.701 1.00 0.00 C ATOM 564 C MET A 40 -4.762 9.230 6.604 1.00 0.00 C ATOM 565 O MET A 40 -5.394 9.914 7.409 1.00 0.00 O ATOM 566 CB MET A 40 -6.027 8.941 4.465 1.00 0.00 C ATOM 567 CG MET A 40 -6.275 8.012 3.288 1.00 0.00 C ATOM 568 SD MET A 40 -6.697 8.901 1.777 1.00 0.00 S ATOM 569 CE MET A 40 -8.255 8.127 1.352 1.00 0.00 C ATOM 0 H MET A 40 -7.280 8.179 6.770 1.00 0.00 H new ATOM 0 HA MET A 40 -4.757 7.473 5.385 1.00 0.00 H new ATOM 0 HB2 MET A 40 -6.961 9.438 4.728 1.00 0.00 H new ATOM 0 HB3 MET A 40 -5.326 9.719 4.162 1.00 0.00 H new ATOM 0 HG2 MET A 40 -5.384 7.408 3.113 1.00 0.00 H new ATOM 0 HG3 MET A 40 -7.083 7.324 3.537 1.00 0.00 H new ATOM 0 HE1 MET A 40 -8.738 8.695 0.557 1.00 0.00 H new ATOM 0 HE2 MET A 40 -8.074 7.108 1.011 1.00 0.00 H new ATOM 0 HE3 MET A 40 -8.902 8.107 2.229 1.00 0.00 H new ATOM 579 N MET A 41 -3.443 9.310 6.464 1.00 0.00 N ATOM 580 CA MET A 41 -2.645 10.229 7.267 1.00 0.00 C ATOM 581 C MET A 41 -2.909 11.676 6.862 1.00 0.00 C ATOM 582 O MET A 41 -2.834 12.025 5.683 1.00 0.00 O ATOM 583 CB MET A 41 -1.156 9.910 7.117 1.00 0.00 C ATOM 584 CG MET A 41 -0.301 10.449 8.252 1.00 0.00 C ATOM 585 SD MET A 41 -0.386 9.424 9.733 1.00 0.00 S ATOM 586 CE MET A 41 0.640 8.039 9.246 1.00 0.00 C ATOM 0 H MET A 41 -2.905 8.750 5.803 1.00 0.00 H new ATOM 0 HA MET A 41 -2.934 10.104 8.311 1.00 0.00 H new ATOM 0 HB2 MET A 41 -1.029 8.829 7.059 1.00 0.00 H new ATOM 0 HB3 MET A 41 -0.797 10.324 6.175 1.00 0.00 H new ATOM 0 HG2 MET A 41 0.735 10.517 7.921 1.00 0.00 H new ATOM 0 HG3 MET A 41 -0.624 11.461 8.496 1.00 0.00 H new ATOM 0 HE1 MET A 41 1.202 7.682 10.109 1.00 0.00 H new ATOM 0 HE2 MET A 41 0.010 7.235 8.866 1.00 0.00 H new ATOM 0 HE3 MET A 41 1.333 8.356 8.467 1.00 0.00 H new ATOM 596 N HIS A 42 -3.220 12.514 7.846 1.00 0.00 N ATOM 597 CA HIS A 42 -3.496 13.923 7.591 1.00 0.00 C ATOM 598 C HIS A 42 -2.239 14.646 7.118 1.00 0.00 C ATOM 599 O HIS A 42 -1.626 15.403 7.870 1.00 0.00 O ATOM 600 CB HIS A 42 -4.041 14.594 8.852 1.00 0.00 C ATOM 601 CG HIS A 42 -5.317 13.989 9.349 1.00 0.00 C ATOM 602 ND1 HIS A 42 -6.557 14.543 9.107 1.00 0.00 N ATOM 603 CD2 HIS A 42 -5.542 12.870 10.077 1.00 0.00 C ATOM 604 CE1 HIS A 42 -7.489 13.792 9.666 1.00 0.00 C ATOM 605 NE2 HIS A 42 -6.900 12.770 10.261 1.00 0.00 N ATOM 0 H HIS A 42 -3.287 12.242 8.827 1.00 0.00 H new ATOM 0 HA HIS A 42 -4.247 13.984 6.803 1.00 0.00 H new ATOM 0 HB2 HIS A 42 -3.289 14.534 9.639 1.00 0.00 H new ATOM 0 HB3 HIS A 42 -4.205 15.652 8.648 1.00 0.00 H new ATOM 0 HD2 HIS A 42 -4.794 12.184 10.445 1.00 0.00 H new ATOM 0 HE1 HIS A 42 -8.552 13.981 9.641 1.00 0.00 H new ATOM 0 HE2 HIS A 42 -7.376 12.028 10.774 1.00 0.00 H new ATOM 614 N GLY A 43 -1.859 14.406 5.867 1.00 0.00 N ATOM 615 CA GLY A 43 -0.676 15.041 5.316 1.00 0.00 C ATOM 616 C GLY A 43 0.303 14.040 4.736 1.00 0.00 C ATOM 617 O GLY A 43 1.475 14.353 4.534 1.00 0.00 O ATOM 0 H GLY A 43 -2.349 13.783 5.225 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -0.974 15.745 4.539 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -0.181 15.619 6.096 1.00 0.00 H new ATOM 621 N GLY A 44 -0.179 12.829 4.470 1.00 0.00 N ATOM 622 CA GLY A 44 0.676 11.796 3.915 1.00 0.00 C ATOM 623 C GLY A 44 0.596 11.729 2.402 1.00 0.00 C ATOM 624 O GLY A 44 -0.086 12.527 1.759 1.00 0.00 O ATOM 0 H GLY A 44 -1.146 12.545 4.629 1.00 0.00 H new ATOM 0 HA2 GLY A 44 1.708 11.983 4.213 1.00 0.00 H new ATOM 0 HA3 GLY A 44 0.393 10.830 4.334 1.00 0.00 H new ATOM 628 N PRO A 45 1.309 10.758 1.811 1.00 0.00 N ATOM 629 CA PRO A 45 1.333 10.567 0.358 1.00 0.00 C ATOM 630 C PRO A 45 0.002 10.055 -0.182 1.00 0.00 C ATOM 631 O PRO A 45 -0.464 10.496 -1.231 1.00 0.00 O ATOM 632 CB PRO A 45 2.431 9.520 0.156 1.00 0.00 C ATOM 633 CG PRO A 45 2.484 8.773 1.444 1.00 0.00 C ATOM 634 CD PRO A 45 2.145 9.772 2.516 1.00 0.00 C ATOM 0 HA PRO A 45 1.514 11.502 -0.173 1.00 0.00 H new ATOM 0 HB2 PRO A 45 2.197 8.857 -0.677 1.00 0.00 H new ATOM 0 HB3 PRO A 45 3.389 9.989 -0.069 1.00 0.00 H new ATOM 0 HG2 PRO A 45 1.775 7.945 1.444 1.00 0.00 H new ATOM 0 HG3 PRO A 45 3.474 8.346 1.607 1.00 0.00 H new ATOM 0 HD2 PRO A 45 1.608 9.307 3.343 1.00 0.00 H new ATOM 0 HD3 PRO A 45 3.040 10.231 2.935 1.00 0.00 H new ATOM 642 N ALA A 46 -0.604 9.120 0.543 1.00 0.00 N ATOM 643 CA ALA A 46 -1.883 8.550 0.137 1.00 0.00 C ATOM 644 C ALA A 46 -2.990 9.598 0.178 1.00 0.00 C ATOM 645 O ALA A 46 -3.820 9.672 -0.727 1.00 0.00 O ATOM 646 CB ALA A 46 -2.239 7.368 1.027 1.00 0.00 C ATOM 0 H ALA A 46 -0.230 8.742 1.413 1.00 0.00 H new ATOM 0 HA ALA A 46 -1.788 8.202 -0.891 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -3.196 6.952 0.713 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -1.466 6.604 0.944 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -2.310 7.701 2.063 1.00 0.00 H new ATOM 652 N GLU A 47 -2.995 10.405 1.234 1.00 0.00 N ATOM 653 CA GLU A 47 -4.002 11.448 1.392 1.00 0.00 C ATOM 654 C GLU A 47 -3.842 12.525 0.323 1.00 0.00 C ATOM 655 O GLU A 47 -4.825 13.096 -0.151 1.00 0.00 O ATOM 656 CB GLU A 47 -3.902 12.077 2.784 1.00 0.00 C ATOM 657 CG GLU A 47 -4.767 13.315 2.955 1.00 0.00 C ATOM 658 CD GLU A 47 -6.156 12.990 3.468 1.00 0.00 C ATOM 659 OE1 GLU A 47 -6.274 12.580 4.642 1.00 0.00 O ATOM 660 OE2 GLU A 47 -7.125 13.144 2.695 1.00 0.00 O ATOM 0 H GLU A 47 -2.314 10.357 1.992 1.00 0.00 H new ATOM 0 HA GLU A 47 -4.984 10.990 1.277 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -4.190 11.336 3.530 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -2.863 12.340 2.981 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -4.280 14.001 3.647 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -4.849 13.831 1.999 1.00 0.00 H new ATOM 667 N LYS A 48 -2.597 12.798 -0.053 1.00 0.00 N ATOM 668 CA LYS A 48 -2.306 13.805 -1.066 1.00 0.00 C ATOM 669 C LYS A 48 -2.446 13.221 -2.469 1.00 0.00 C ATOM 670 O LYS A 48 -2.796 13.929 -3.414 1.00 0.00 O ATOM 671 CB LYS A 48 -0.894 14.361 -0.872 1.00 0.00 C ATOM 672 CG LYS A 48 -0.811 15.461 0.172 1.00 0.00 C ATOM 673 CD LYS A 48 0.628 15.862 0.447 1.00 0.00 C ATOM 674 CE LYS A 48 1.267 14.962 1.494 1.00 0.00 C ATOM 675 NZ LYS A 48 2.477 15.586 2.098 1.00 0.00 N ATOM 0 H LYS A 48 -1.773 12.335 0.329 1.00 0.00 H new ATOM 0 HA LYS A 48 -3.027 14.615 -0.955 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -0.229 13.547 -0.584 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -0.531 14.747 -1.824 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -1.373 16.330 -0.169 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -1.278 15.122 1.097 1.00 0.00 H new ATOM 0 HD2 LYS A 48 1.204 15.812 -0.477 1.00 0.00 H new ATOM 0 HD3 LYS A 48 0.660 16.897 0.787 1.00 0.00 H new ATOM 0 HE2 LYS A 48 0.541 14.744 2.278 1.00 0.00 H new ATOM 0 HE3 LYS A 48 1.539 14.010 1.038 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 2.513 15.362 3.113 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 3.329 15.215 1.631 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 2.435 16.618 1.973 1.00 0.00 H new ATOM 689 N SER A 49 -2.172 11.927 -2.596 1.00 0.00 N ATOM 690 CA SER A 49 -2.265 11.249 -3.884 1.00 0.00 C ATOM 691 C SER A 49 -3.690 11.307 -4.427 1.00 0.00 C ATOM 692 O SER A 49 -3.903 11.467 -5.628 1.00 0.00 O ATOM 693 CB SER A 49 -1.816 9.793 -3.752 1.00 0.00 C ATOM 694 OG SER A 49 -2.571 9.115 -2.763 1.00 0.00 O ATOM 0 H SER A 49 -1.884 11.327 -1.823 1.00 0.00 H new ATOM 0 HA SER A 49 -1.607 11.762 -4.585 1.00 0.00 H new ATOM 0 HB2 SER A 49 -1.928 9.286 -4.711 1.00 0.00 H new ATOM 0 HB3 SER A 49 -0.758 9.757 -3.494 1.00 0.00 H new ATOM 0 HG SER A 49 -3.070 9.767 -2.228 1.00 0.00 H new ATOM 700 N GLY A 50 -4.663 11.174 -3.531 1.00 0.00 N ATOM 701 CA GLY A 50 -6.056 11.213 -3.937 1.00 0.00 C ATOM 702 C GLY A 50 -6.399 10.127 -4.937 1.00 0.00 C ATOM 703 O GLY A 50 -7.450 10.170 -5.576 1.00 0.00 O ATOM 0 H GLY A 50 -4.512 11.040 -2.531 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -6.691 11.106 -3.057 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -6.277 12.187 -4.373 1.00 0.00 H new ATOM 707 N LYS A 51 -5.509 9.150 -5.075 1.00 0.00 N ATOM 708 CA LYS A 51 -5.721 8.047 -6.005 1.00 0.00 C ATOM 709 C LYS A 51 -6.683 7.018 -5.418 1.00 0.00 C ATOM 710 O LYS A 51 -7.382 6.318 -6.151 1.00 0.00 O ATOM 711 CB LYS A 51 -4.388 7.378 -6.347 1.00 0.00 C ATOM 712 CG LYS A 51 -3.335 8.346 -6.857 1.00 0.00 C ATOM 713 CD LYS A 51 -3.393 8.486 -8.369 1.00 0.00 C ATOM 714 CE LYS A 51 -4.327 9.610 -8.789 1.00 0.00 C ATOM 715 NZ LYS A 51 -4.292 9.841 -10.260 1.00 0.00 N ATOM 0 H LYS A 51 -4.633 9.100 -4.554 1.00 0.00 H new ATOM 0 HA LYS A 51 -6.161 8.452 -6.916 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -4.006 6.873 -5.460 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -4.559 6.610 -7.101 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -3.482 9.322 -6.394 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -2.345 7.998 -6.560 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -2.393 8.679 -8.756 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -3.730 7.548 -8.810 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -5.345 9.369 -8.484 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -4.047 10.527 -8.271 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -4.942 10.615 -10.505 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -3.326 10.096 -10.548 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -4.584 8.974 -10.755 1.00 0.00 H new ATOM 729 N LEU A 52 -6.714 6.933 -4.093 1.00 0.00 N ATOM 730 CA LEU A 52 -7.591 5.990 -3.407 1.00 0.00 C ATOM 731 C LEU A 52 -8.606 6.725 -2.537 1.00 0.00 C ATOM 732 O LEU A 52 -8.598 7.953 -2.460 1.00 0.00 O ATOM 733 CB LEU A 52 -6.768 5.029 -2.548 1.00 0.00 C ATOM 734 CG LEU A 52 -5.458 5.584 -1.986 1.00 0.00 C ATOM 735 CD1 LEU A 52 -4.445 5.793 -3.101 1.00 0.00 C ATOM 736 CD2 LEU A 52 -5.708 6.886 -1.240 1.00 0.00 C ATOM 0 H LEU A 52 -6.142 7.505 -3.472 1.00 0.00 H new ATOM 0 HA LEU A 52 -8.132 5.420 -4.162 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -7.387 4.699 -1.714 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -6.539 4.146 -3.144 1.00 0.00 H new ATOM 0 HG LEU A 52 -5.050 4.858 -1.283 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -3.519 6.188 -2.682 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -4.244 4.841 -3.593 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -4.845 6.500 -3.828 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -4.765 7.267 -0.847 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -6.139 7.619 -1.922 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -6.399 6.706 -0.416 1.00 0.00 H new ATOM 748 N ASN A 53 -9.478 5.964 -1.883 1.00 0.00 N ATOM 749 CA ASN A 53 -10.498 6.543 -1.017 1.00 0.00 C ATOM 750 C ASN A 53 -10.895 5.565 0.085 1.00 0.00 C ATOM 751 O ASN A 53 -10.906 4.352 -0.123 1.00 0.00 O ATOM 752 CB ASN A 53 -11.730 6.933 -1.836 1.00 0.00 C ATOM 753 CG ASN A 53 -11.380 7.312 -3.262 1.00 0.00 C ATOM 754 OD1 ASN A 53 -10.762 6.386 -3.985 1.00 0.00 O flip ATOM 755 ND2 ASN A 53 -11.663 8.424 -3.708 1.00 0.00 N flip ATOM 0 H ASN A 53 -9.498 4.946 -1.936 1.00 0.00 H new ATOM 0 HA ASN A 53 -10.081 7.436 -0.553 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -12.434 6.101 -1.846 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -12.233 7.771 -1.353 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -12.139 9.105 -3.116 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -11.422 8.664 -4.670 1.00 0.00 H new ATOM 762 N ILE A 54 -11.220 6.103 1.256 1.00 0.00 N ATOM 763 CA ILE A 54 -11.619 5.278 2.390 1.00 0.00 C ATOM 764 C ILE A 54 -12.653 4.236 1.975 1.00 0.00 C ATOM 765 O ILE A 54 -13.814 4.561 1.734 1.00 0.00 O ATOM 766 CB ILE A 54 -12.199 6.133 3.532 1.00 0.00 C ATOM 767 CG1 ILE A 54 -11.187 7.196 3.966 1.00 0.00 C ATOM 768 CG2 ILE A 54 -12.587 5.252 4.709 1.00 0.00 C ATOM 769 CD1 ILE A 54 -9.942 6.620 4.603 1.00 0.00 C ATOM 0 H ILE A 54 -11.215 7.105 1.444 1.00 0.00 H new ATOM 0 HA ILE A 54 -10.720 4.774 2.745 1.00 0.00 H new ATOM 0 HB ILE A 54 -13.095 6.637 3.170 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -10.900 7.789 3.098 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -11.666 7.875 4.672 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -12.995 5.871 5.508 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -13.338 4.529 4.390 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -11.706 4.723 5.074 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -9.270 7.430 4.886 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -10.218 6.051 5.491 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -9.440 5.963 3.892 1.00 0.00 H new ATOM 781 N GLY A 55 -12.221 2.981 1.896 1.00 0.00 N ATOM 782 CA GLY A 55 -13.122 1.910 1.512 1.00 0.00 C ATOM 783 C GLY A 55 -12.606 1.115 0.329 1.00 0.00 C ATOM 784 O GLY A 55 -12.929 -0.063 0.176 1.00 0.00 O ATOM 0 H GLY A 55 -11.264 2.687 2.091 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -13.268 1.241 2.360 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -14.097 2.330 1.266 1.00 0.00 H new ATOM 788 N ASP A 56 -11.804 1.760 -0.511 1.00 0.00 N ATOM 789 CA ASP A 56 -11.243 1.106 -1.687 1.00 0.00 C ATOM 790 C ASP A 56 -10.307 -0.029 -1.283 1.00 0.00 C ATOM 791 O ASP A 56 -9.606 0.061 -0.275 1.00 0.00 O ATOM 792 CB ASP A 56 -10.492 2.120 -2.551 1.00 0.00 C ATOM 793 CG ASP A 56 -11.381 2.757 -3.600 1.00 0.00 C ATOM 794 OD1 ASP A 56 -12.413 3.351 -3.222 1.00 0.00 O ATOM 795 OD2 ASP A 56 -11.046 2.663 -4.800 1.00 0.00 O ATOM 0 H ASP A 56 -11.528 2.736 -0.399 1.00 0.00 H new ATOM 0 HA ASP A 56 -12.066 0.686 -2.266 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -10.074 2.898 -1.912 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -9.654 1.625 -3.041 1.00 0.00 H new ATOM 800 N GLN A 57 -10.302 -1.096 -2.076 1.00 0.00 N ATOM 801 CA GLN A 57 -9.453 -2.249 -1.799 1.00 0.00 C ATOM 802 C GLN A 57 -8.328 -2.354 -2.822 1.00 0.00 C ATOM 803 O GLN A 57 -8.486 -1.955 -3.977 1.00 0.00 O ATOM 804 CB GLN A 57 -10.284 -3.533 -1.803 1.00 0.00 C ATOM 805 CG GLN A 57 -10.356 -4.207 -3.163 1.00 0.00 C ATOM 806 CD GLN A 57 -11.476 -5.225 -3.252 1.00 0.00 C ATOM 807 OE1 GLN A 57 -12.573 -4.919 -3.719 1.00 0.00 O ATOM 808 NE2 GLN A 57 -11.204 -6.445 -2.803 1.00 0.00 N ATOM 0 H GLN A 57 -10.876 -1.186 -2.915 1.00 0.00 H new ATOM 0 HA GLN A 57 -9.010 -2.114 -0.812 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -9.860 -4.232 -1.082 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -11.295 -3.303 -1.467 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -10.498 -3.449 -3.933 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -9.406 -4.699 -3.371 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -10.281 -6.655 -2.424 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -11.918 -7.172 -2.837 1.00 0.00 H new ATOM 817 N ILE A 58 -7.192 -2.893 -2.392 1.00 0.00 N ATOM 818 CA ILE A 58 -6.041 -3.052 -3.272 1.00 0.00 C ATOM 819 C ILE A 58 -5.947 -4.478 -3.804 1.00 0.00 C ATOM 820 O ILE A 58 -5.782 -5.427 -3.039 1.00 0.00 O ATOM 821 CB ILE A 58 -4.727 -2.699 -2.549 1.00 0.00 C ATOM 822 CG1 ILE A 58 -4.882 -1.387 -1.776 1.00 0.00 C ATOM 823 CG2 ILE A 58 -3.584 -2.600 -3.547 1.00 0.00 C ATOM 824 CD1 ILE A 58 -3.680 -1.043 -0.924 1.00 0.00 C ATOM 0 H ILE A 58 -7.044 -3.227 -1.440 1.00 0.00 H new ATOM 0 HA ILE A 58 -6.185 -2.365 -4.106 1.00 0.00 H new ATOM 0 HB ILE A 58 -4.495 -3.493 -1.839 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -5.060 -0.577 -2.483 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -5.763 -1.452 -1.138 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -2.663 -2.350 -3.021 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -3.463 -3.555 -4.057 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -3.806 -1.823 -4.279 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -3.859 -0.101 -0.405 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -3.514 -1.834 -0.193 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -2.800 -0.945 -1.559 1.00 0.00 H new ATOM 836 N MET A 59 -6.053 -4.620 -5.121 1.00 0.00 N ATOM 837 CA MET A 59 -5.977 -5.930 -5.757 1.00 0.00 C ATOM 838 C MET A 59 -4.566 -6.500 -5.661 1.00 0.00 C ATOM 839 O MET A 59 -4.382 -7.690 -5.407 1.00 0.00 O ATOM 840 CB MET A 59 -6.404 -5.835 -7.223 1.00 0.00 C ATOM 841 CG MET A 59 -7.899 -6.007 -7.433 1.00 0.00 C ATOM 842 SD MET A 59 -8.364 -7.720 -7.750 1.00 0.00 S ATOM 843 CE MET A 59 -8.231 -8.417 -6.105 1.00 0.00 C ATOM 0 H MET A 59 -6.192 -3.844 -5.768 1.00 0.00 H new ATOM 0 HA MET A 59 -6.657 -6.601 -5.232 1.00 0.00 H new ATOM 0 HB2 MET A 59 -6.099 -4.867 -7.620 1.00 0.00 H new ATOM 0 HB3 MET A 59 -5.875 -6.596 -7.797 1.00 0.00 H new ATOM 0 HG2 MET A 59 -8.429 -5.648 -6.551 1.00 0.00 H new ATOM 0 HG3 MET A 59 -8.218 -5.387 -8.271 1.00 0.00 H new ATOM 0 HE1 MET A 59 -8.556 -9.457 -6.123 1.00 0.00 H new ATOM 0 HE2 MET A 59 -7.195 -8.367 -5.771 1.00 0.00 H new ATOM 0 HE3 MET A 59 -8.861 -7.852 -5.418 1.00 0.00 H new ATOM 853 N SER A 60 -3.571 -5.642 -5.868 1.00 0.00 N ATOM 854 CA SER A 60 -2.176 -6.062 -5.809 1.00 0.00 C ATOM 855 C SER A 60 -1.262 -4.871 -5.535 1.00 0.00 C ATOM 856 O SER A 60 -1.704 -3.722 -5.538 1.00 0.00 O ATOM 857 CB SER A 60 -1.770 -6.740 -7.119 1.00 0.00 C ATOM 858 OG SER A 60 -2.081 -5.923 -8.234 1.00 0.00 O ATOM 0 H SER A 60 -3.705 -4.653 -6.078 1.00 0.00 H new ATOM 0 HA SER A 60 -2.071 -6.775 -4.991 1.00 0.00 H new ATOM 0 HB2 SER A 60 -0.701 -6.952 -7.106 1.00 0.00 H new ATOM 0 HB3 SER A 60 -2.283 -7.697 -7.211 1.00 0.00 H new ATOM 0 HG SER A 60 -1.810 -6.378 -9.059 1.00 0.00 H new ATOM 864 N ILE A 61 0.014 -5.156 -5.297 1.00 0.00 N ATOM 865 CA ILE A 61 0.991 -4.110 -5.022 1.00 0.00 C ATOM 866 C ILE A 61 2.236 -4.279 -5.886 1.00 0.00 C ATOM 867 O ILE A 61 3.033 -5.191 -5.672 1.00 0.00 O ATOM 868 CB ILE A 61 1.406 -4.103 -3.539 1.00 0.00 C ATOM 869 CG1 ILE A 61 0.263 -3.578 -2.669 1.00 0.00 C ATOM 870 CG2 ILE A 61 2.658 -3.260 -3.343 1.00 0.00 C ATOM 871 CD1 ILE A 61 0.394 -3.951 -1.209 1.00 0.00 C ATOM 0 H ILE A 61 0.395 -6.102 -5.289 1.00 0.00 H new ATOM 0 HA ILE A 61 0.512 -3.161 -5.261 1.00 0.00 H new ATOM 0 HB ILE A 61 1.629 -5.126 -3.235 1.00 0.00 H new ATOM 0 HG12 ILE A 61 0.220 -2.492 -2.756 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -0.681 -3.966 -3.051 1.00 0.00 H new ATOM 0 HG21 ILE A 61 2.939 -3.265 -2.290 1.00 0.00 H new ATOM 0 HG22 ILE A 61 3.472 -3.674 -3.937 1.00 0.00 H new ATOM 0 HG23 ILE A 61 2.461 -2.236 -3.661 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -0.451 -3.545 -0.653 1.00 0.00 H new ATOM 0 HD12 ILE A 61 0.406 -5.036 -1.110 1.00 0.00 H new ATOM 0 HD13 ILE A 61 1.322 -3.540 -0.810 1.00 0.00 H new ATOM 883 N ASN A 62 2.397 -3.392 -6.863 1.00 0.00 N ATOM 884 CA ASN A 62 3.546 -3.442 -7.760 1.00 0.00 C ATOM 885 C ASN A 62 3.633 -4.796 -8.457 1.00 0.00 C ATOM 886 O ASN A 62 4.713 -5.237 -8.847 1.00 0.00 O ATOM 887 CB ASN A 62 4.837 -3.172 -6.984 1.00 0.00 C ATOM 888 CG ASN A 62 5.174 -1.695 -6.920 1.00 0.00 C ATOM 889 OD1 ASN A 62 4.695 -0.902 -7.730 1.00 0.00 O ATOM 890 ND2 ASN A 62 6.003 -1.319 -5.953 1.00 0.00 N ATOM 0 H ASN A 62 1.746 -2.630 -7.054 1.00 0.00 H new ATOM 0 HA ASN A 62 3.417 -2.670 -8.519 1.00 0.00 H new ATOM 0 HB2 ASN A 62 4.738 -3.564 -5.972 1.00 0.00 H new ATOM 0 HB3 ASN A 62 5.660 -3.710 -7.455 1.00 0.00 H new ATOM 0 HD21 ASN A 62 6.266 -0.338 -5.860 1.00 0.00 H new ATOM 0 HD22 ASN A 62 6.376 -2.011 -5.303 1.00 0.00 H new ATOM 897 N GLY A 63 2.486 -5.452 -8.611 1.00 0.00 N ATOM 898 CA GLY A 63 2.455 -6.748 -9.262 1.00 0.00 C ATOM 899 C GLY A 63 2.416 -7.894 -8.270 1.00 0.00 C ATOM 900 O GLY A 63 2.626 -9.051 -8.637 1.00 0.00 O ATOM 0 H GLY A 63 1.579 -5.109 -8.296 1.00 0.00 H new ATOM 0 HA2 GLY A 63 1.582 -6.804 -9.912 1.00 0.00 H new ATOM 0 HA3 GLY A 63 3.333 -6.852 -9.899 1.00 0.00 H new ATOM 904 N THR A 64 2.149 -7.573 -7.008 1.00 0.00 N ATOM 905 CA THR A 64 2.087 -8.584 -5.959 1.00 0.00 C ATOM 906 C THR A 64 0.649 -8.825 -5.513 1.00 0.00 C ATOM 907 O THR A 64 0.020 -7.952 -4.914 1.00 0.00 O ATOM 908 CB THR A 64 2.931 -8.177 -4.737 1.00 0.00 C ATOM 909 OG1 THR A 64 4.296 -7.988 -5.125 1.00 0.00 O ATOM 910 CG2 THR A 64 2.850 -9.236 -3.647 1.00 0.00 C ATOM 0 H THR A 64 1.972 -6.621 -6.687 1.00 0.00 H new ATOM 0 HA THR A 64 2.492 -9.504 -6.381 1.00 0.00 H new ATOM 0 HB THR A 64 2.533 -7.242 -4.343 1.00 0.00 H new ATOM 0 HG1 THR A 64 4.423 -7.068 -5.438 1.00 0.00 H new ATOM 0 HG21 THR A 64 3.454 -8.927 -2.794 1.00 0.00 H new ATOM 0 HG22 THR A 64 1.813 -9.356 -3.333 1.00 0.00 H new ATOM 0 HG23 THR A 64 3.225 -10.184 -4.032 1.00 0.00 H new ATOM 918 N SER A 65 0.135 -10.014 -5.806 1.00 0.00 N ATOM 919 CA SER A 65 -1.231 -10.369 -5.437 1.00 0.00 C ATOM 920 C SER A 65 -1.362 -10.525 -3.925 1.00 0.00 C ATOM 921 O SER A 65 -0.599 -11.260 -3.296 1.00 0.00 O ATOM 922 CB SER A 65 -1.649 -11.666 -6.133 1.00 0.00 C ATOM 923 OG SER A 65 -0.728 -12.709 -5.864 1.00 0.00 O ATOM 0 H SER A 65 0.643 -10.749 -6.298 1.00 0.00 H new ATOM 0 HA SER A 65 -1.890 -9.563 -5.760 1.00 0.00 H new ATOM 0 HB2 SER A 65 -2.643 -11.959 -5.796 1.00 0.00 H new ATOM 0 HB3 SER A 65 -1.712 -11.501 -7.209 1.00 0.00 H new ATOM 0 HG SER A 65 -0.431 -12.651 -4.932 1.00 0.00 H new ATOM 929 N LEU A 66 -2.333 -9.827 -3.347 1.00 0.00 N ATOM 930 CA LEU A 66 -2.566 -9.887 -1.908 1.00 0.00 C ATOM 931 C LEU A 66 -3.694 -10.859 -1.579 1.00 0.00 C ATOM 932 O LEU A 66 -3.828 -11.309 -0.441 1.00 0.00 O ATOM 933 CB LEU A 66 -2.902 -8.496 -1.368 1.00 0.00 C ATOM 934 CG LEU A 66 -2.067 -7.341 -1.921 1.00 0.00 C ATOM 935 CD1 LEU A 66 -2.585 -6.010 -1.400 1.00 0.00 C ATOM 936 CD2 LEU A 66 -0.600 -7.523 -1.559 1.00 0.00 C ATOM 0 H LEU A 66 -2.972 -9.213 -3.852 1.00 0.00 H new ATOM 0 HA LEU A 66 -1.653 -10.244 -1.431 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -3.952 -8.291 -1.577 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -2.790 -8.512 -0.284 1.00 0.00 H new ATOM 0 HG LEU A 66 -2.156 -7.341 -3.007 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -1.978 -5.200 -1.804 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -3.621 -5.876 -1.710 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -2.527 -5.998 -0.312 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -0.020 -6.692 -1.961 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -0.493 -7.549 -0.475 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -0.234 -8.458 -1.982 1.00 0.00 H new ATOM 948 N VAL A 67 -4.504 -11.181 -2.583 1.00 0.00 N ATOM 949 CA VAL A 67 -5.618 -12.103 -2.401 1.00 0.00 C ATOM 950 C VAL A 67 -5.196 -13.323 -1.591 1.00 0.00 C ATOM 951 O VAL A 67 -4.289 -14.057 -1.982 1.00 0.00 O ATOM 952 CB VAL A 67 -6.187 -12.570 -3.755 1.00 0.00 C ATOM 953 CG1 VAL A 67 -7.310 -13.573 -3.544 1.00 0.00 C ATOM 954 CG2 VAL A 67 -6.669 -11.379 -4.569 1.00 0.00 C ATOM 0 H VAL A 67 -4.409 -10.817 -3.531 1.00 0.00 H new ATOM 0 HA VAL A 67 -6.392 -11.561 -1.858 1.00 0.00 H new ATOM 0 HB VAL A 67 -5.392 -13.064 -4.314 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -7.700 -13.892 -4.511 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -6.928 -14.439 -3.004 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -8.109 -13.108 -2.966 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -7.068 -11.727 -5.522 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -7.450 -10.854 -4.019 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -5.835 -10.701 -4.750 1.00 0.00 H new ATOM 964 N GLY A 68 -5.861 -13.534 -0.459 1.00 0.00 N ATOM 965 CA GLY A 68 -5.541 -14.668 0.389 1.00 0.00 C ATOM 966 C GLY A 68 -4.610 -14.296 1.526 1.00 0.00 C ATOM 967 O GLY A 68 -4.699 -14.855 2.620 1.00 0.00 O ATOM 0 H GLY A 68 -6.615 -12.940 -0.114 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -6.462 -15.083 0.798 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -5.079 -15.450 -0.214 1.00 0.00 H new ATOM 971 N LEU A 69 -3.712 -13.351 1.268 1.00 0.00 N ATOM 972 CA LEU A 69 -2.759 -12.906 2.279 1.00 0.00 C ATOM 973 C LEU A 69 -3.475 -12.227 3.442 1.00 0.00 C ATOM 974 O LEU A 69 -4.442 -11.487 3.260 1.00 0.00 O ATOM 975 CB LEU A 69 -1.742 -11.945 1.660 1.00 0.00 C ATOM 976 CG LEU A 69 -0.736 -12.566 0.689 1.00 0.00 C ATOM 977 CD1 LEU A 69 0.287 -11.532 0.247 1.00 0.00 C ATOM 978 CD2 LEU A 69 -0.046 -13.762 1.329 1.00 0.00 C ATOM 0 H LEU A 69 -3.624 -12.879 0.368 1.00 0.00 H new ATOM 0 HA LEU A 69 -2.236 -13.783 2.661 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -2.287 -11.160 1.135 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -1.189 -11.464 2.467 1.00 0.00 H new ATOM 0 HG LEU A 69 -1.276 -12.912 -0.192 1.00 0.00 H new ATOM 0 HD11 LEU A 69 0.994 -11.992 -0.443 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -0.222 -10.707 -0.251 1.00 0.00 H new ATOM 0 HD13 LEU A 69 0.823 -11.155 1.118 1.00 0.00 H new ATOM 0 HD21 LEU A 69 0.666 -14.191 0.624 1.00 0.00 H new ATOM 0 HD22 LEU A 69 0.481 -13.440 2.227 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -0.791 -14.512 1.595 1.00 0.00 H new ATOM 990 N PRO A 70 -2.989 -12.481 4.666 1.00 0.00 N ATOM 991 CA PRO A 70 -3.566 -11.901 5.882 1.00 0.00 C ATOM 992 C PRO A 70 -3.313 -10.401 5.986 1.00 0.00 C ATOM 993 O PRO A 70 -2.344 -9.884 5.428 1.00 0.00 O ATOM 994 CB PRO A 70 -2.841 -12.645 7.007 1.00 0.00 C ATOM 995 CG PRO A 70 -1.549 -13.076 6.406 1.00 0.00 C ATOM 996 CD PRO A 70 -1.838 -13.353 4.956 1.00 0.00 C ATOM 0 HA PRO A 70 -4.650 -12.008 5.910 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -2.680 -11.998 7.870 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -3.421 -13.500 7.354 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -0.791 -12.299 6.511 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -1.165 -13.966 6.904 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -0.983 -13.114 4.323 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -2.077 -14.403 4.787 1.00 0.00 H new ATOM 1004 N LEU A 71 -4.189 -9.707 6.704 1.00 0.00 N ATOM 1005 CA LEU A 71 -4.060 -8.265 6.882 1.00 0.00 C ATOM 1006 C LEU A 71 -2.680 -7.904 7.422 1.00 0.00 C ATOM 1007 O LEU A 71 -2.096 -6.892 7.034 1.00 0.00 O ATOM 1008 CB LEU A 71 -5.143 -7.749 7.831 1.00 0.00 C ATOM 1009 CG LEU A 71 -4.993 -6.300 8.297 1.00 0.00 C ATOM 1010 CD1 LEU A 71 -5.049 -5.350 7.111 1.00 0.00 C ATOM 1011 CD2 LEU A 71 -6.072 -5.953 9.313 1.00 0.00 C ATOM 0 H LEU A 71 -4.996 -10.119 7.172 1.00 0.00 H new ATOM 0 HA LEU A 71 -4.184 -7.791 5.908 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -6.109 -7.853 7.338 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -5.163 -8.392 8.711 1.00 0.00 H new ATOM 0 HG LEU A 71 -4.021 -6.191 8.778 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -4.941 -4.324 7.462 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -4.240 -5.584 6.419 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -6.006 -5.460 6.601 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -5.950 -4.918 9.634 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -7.054 -6.079 8.858 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -5.985 -6.613 10.176 1.00 0.00 H new ATOM 1023 N SER A 72 -2.164 -8.739 8.318 1.00 0.00 N ATOM 1024 CA SER A 72 -0.853 -8.507 8.913 1.00 0.00 C ATOM 1025 C SER A 72 0.243 -8.572 7.854 1.00 0.00 C ATOM 1026 O SER A 72 1.153 -7.743 7.833 1.00 0.00 O ATOM 1027 CB SER A 72 -0.579 -9.536 10.011 1.00 0.00 C ATOM 1028 OG SER A 72 -1.441 -9.341 11.120 1.00 0.00 O ATOM 0 H SER A 72 -2.634 -9.582 8.648 1.00 0.00 H new ATOM 0 HA SER A 72 -0.851 -7.509 9.352 1.00 0.00 H new ATOM 0 HB2 SER A 72 -0.715 -10.542 9.613 1.00 0.00 H new ATOM 0 HB3 SER A 72 0.459 -9.459 10.335 1.00 0.00 H new ATOM 0 HG SER A 72 -1.247 -10.012 11.807 1.00 0.00 H new ATOM 1034 N THR A 73 0.150 -9.566 6.975 1.00 0.00 N ATOM 1035 CA THR A 73 1.134 -9.742 5.914 1.00 0.00 C ATOM 1036 C THR A 73 1.038 -8.621 4.885 1.00 0.00 C ATOM 1037 O THR A 73 2.021 -7.932 4.611 1.00 0.00 O ATOM 1038 CB THR A 73 0.954 -11.095 5.201 1.00 0.00 C ATOM 1039 OG1 THR A 73 1.382 -12.160 6.057 1.00 0.00 O ATOM 1040 CG2 THR A 73 1.747 -11.132 3.903 1.00 0.00 C ATOM 0 H THR A 73 -0.597 -10.261 6.977 1.00 0.00 H new ATOM 0 HA THR A 73 2.117 -9.716 6.385 1.00 0.00 H new ATOM 0 HB THR A 73 -0.103 -11.220 4.967 1.00 0.00 H new ATOM 0 HG1 THR A 73 1.240 -11.905 6.993 1.00 0.00 H new ATOM 0 HG21 THR A 73 1.605 -12.097 3.417 1.00 0.00 H new ATOM 0 HG22 THR A 73 1.400 -10.338 3.242 1.00 0.00 H new ATOM 0 HG23 THR A 73 2.806 -10.987 4.119 1.00 0.00 H new ATOM 1048 N CYS A 74 -0.151 -8.445 4.318 1.00 0.00 N ATOM 1049 CA CYS A 74 -0.374 -7.407 3.318 1.00 0.00 C ATOM 1050 C CYS A 74 0.245 -6.085 3.759 1.00 0.00 C ATOM 1051 O CYS A 74 0.815 -5.355 2.948 1.00 0.00 O ATOM 1052 CB CYS A 74 -1.872 -7.225 3.068 1.00 0.00 C ATOM 1053 SG CYS A 74 -2.723 -8.734 2.549 1.00 0.00 S ATOM 0 H CYS A 74 -0.974 -9.007 4.534 1.00 0.00 H new ATOM 0 HA CYS A 74 0.106 -7.720 2.391 1.00 0.00 H new ATOM 0 HB2 CYS A 74 -2.339 -6.853 3.980 1.00 0.00 H new ATOM 0 HB3 CYS A 74 -2.012 -6.461 2.303 1.00 0.00 H new ATOM 0 HG CYS A 74 -2.785 -9.563 3.548 1.00 0.00 H new ATOM 1059 N GLN A 75 0.126 -5.782 5.048 1.00 0.00 N ATOM 1060 CA GLN A 75 0.671 -4.546 5.595 1.00 0.00 C ATOM 1061 C GLN A 75 2.181 -4.480 5.391 1.00 0.00 C ATOM 1062 O GLN A 75 2.707 -3.487 4.888 1.00 0.00 O ATOM 1063 CB GLN A 75 0.341 -4.433 7.084 1.00 0.00 C ATOM 1064 CG GLN A 75 -1.017 -3.809 7.360 1.00 0.00 C ATOM 1065 CD GLN A 75 -1.148 -3.300 8.783 1.00 0.00 C ATOM 1066 OE1 GLN A 75 -0.150 -3.090 9.473 1.00 0.00 O ATOM 1067 NE2 GLN A 75 -2.382 -3.099 9.229 1.00 0.00 N ATOM 0 H GLN A 75 -0.343 -6.376 5.732 1.00 0.00 H new ATOM 0 HA GLN A 75 0.214 -3.711 5.064 1.00 0.00 H new ATOM 0 HB2 GLN A 75 0.373 -5.427 7.531 1.00 0.00 H new ATOM 0 HB3 GLN A 75 1.111 -3.838 7.574 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -1.181 -2.984 6.667 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -1.797 -4.546 7.169 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -3.180 -3.286 8.622 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -2.532 -2.757 10.178 1.00 0.00 H new ATOM 1076 N SER A 76 2.874 -5.544 5.785 1.00 0.00 N ATOM 1077 CA SER A 76 4.324 -5.606 5.649 1.00 0.00 C ATOM 1078 C SER A 76 4.753 -5.235 4.233 1.00 0.00 C ATOM 1079 O SER A 76 5.678 -4.446 4.039 1.00 0.00 O ATOM 1080 CB SER A 76 4.832 -7.006 5.998 1.00 0.00 C ATOM 1081 OG SER A 76 6.164 -6.961 6.477 1.00 0.00 O ATOM 0 H SER A 76 2.454 -6.375 6.201 1.00 0.00 H new ATOM 0 HA SER A 76 4.760 -4.887 6.342 1.00 0.00 H new ATOM 0 HB2 SER A 76 4.186 -7.453 6.753 1.00 0.00 H new ATOM 0 HB3 SER A 76 4.781 -7.645 5.116 1.00 0.00 H new ATOM 0 HG SER A 76 6.464 -7.868 6.694 1.00 0.00 H new ATOM 1087 N ILE A 77 4.075 -5.811 3.246 1.00 0.00 N ATOM 1088 CA ILE A 77 4.384 -5.541 1.848 1.00 0.00 C ATOM 1089 C ILE A 77 4.289 -4.050 1.541 1.00 0.00 C ATOM 1090 O ILE A 77 4.964 -3.546 0.642 1.00 0.00 O ATOM 1091 CB ILE A 77 3.440 -6.308 0.904 1.00 0.00 C ATOM 1092 CG1 ILE A 77 3.528 -7.812 1.170 1.00 0.00 C ATOM 1093 CG2 ILE A 77 3.777 -6.001 -0.548 1.00 0.00 C ATOM 1094 CD1 ILE A 77 2.301 -8.577 0.727 1.00 0.00 C ATOM 0 H ILE A 77 3.308 -6.468 3.389 1.00 0.00 H new ATOM 0 HA ILE A 77 5.406 -5.880 1.681 1.00 0.00 H new ATOM 0 HB ILE A 77 2.417 -5.983 1.096 1.00 0.00 H new ATOM 0 HG12 ILE A 77 4.401 -8.213 0.656 1.00 0.00 H new ATOM 0 HG13 ILE A 77 3.683 -7.976 2.236 1.00 0.00 H new ATOM 0 HG21 ILE A 77 3.101 -6.551 -1.203 1.00 0.00 H new ATOM 0 HG22 ILE A 77 3.667 -4.932 -0.729 1.00 0.00 H new ATOM 0 HG23 ILE A 77 4.805 -6.300 -0.754 1.00 0.00 H new ATOM 0 HD11 ILE A 77 2.434 -9.636 0.947 1.00 0.00 H new ATOM 0 HD12 ILE A 77 1.427 -8.203 1.260 1.00 0.00 H new ATOM 0 HD13 ILE A 77 2.157 -8.444 -0.345 1.00 0.00 H new ATOM 1106 N ILE A 78 3.450 -3.349 2.296 1.00 0.00 N ATOM 1107 CA ILE A 78 3.269 -1.915 2.107 1.00 0.00 C ATOM 1108 C ILE A 78 4.333 -1.123 2.861 1.00 0.00 C ATOM 1109 O ILE A 78 4.604 0.035 2.541 1.00 0.00 O ATOM 1110 CB ILE A 78 1.876 -1.456 2.575 1.00 0.00 C ATOM 1111 CG1 ILE A 78 0.785 -2.129 1.739 1.00 0.00 C ATOM 1112 CG2 ILE A 78 1.759 0.058 2.487 1.00 0.00 C ATOM 1113 CD1 ILE A 78 -0.526 -2.292 2.475 1.00 0.00 C ATOM 0 H ILE A 78 2.885 -3.751 3.044 1.00 0.00 H new ATOM 0 HA ILE A 78 3.365 -1.723 1.038 1.00 0.00 H new ATOM 0 HB ILE A 78 1.744 -1.751 3.616 1.00 0.00 H new ATOM 0 HG12 ILE A 78 0.615 -1.541 0.837 1.00 0.00 H new ATOM 0 HG13 ILE A 78 1.137 -3.110 1.419 1.00 0.00 H new ATOM 0 HG21 ILE A 78 0.768 0.366 2.821 1.00 0.00 H new ATOM 0 HG22 ILE A 78 2.516 0.519 3.122 1.00 0.00 H new ATOM 0 HG23 ILE A 78 1.909 0.375 1.455 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -1.252 -2.776 1.822 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -0.371 -2.905 3.363 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -0.901 -1.312 2.772 1.00 0.00 H new ATOM 1125 N LYS A 79 4.934 -1.755 3.863 1.00 0.00 N ATOM 1126 CA LYS A 79 5.971 -1.112 4.661 1.00 0.00 C ATOM 1127 C LYS A 79 7.270 -0.994 3.872 1.00 0.00 C ATOM 1128 O LYS A 79 8.075 -0.095 4.113 1.00 0.00 O ATOM 1129 CB LYS A 79 6.214 -1.902 5.949 1.00 0.00 C ATOM 1130 CG LYS A 79 5.252 -1.550 7.070 1.00 0.00 C ATOM 1131 CD LYS A 79 5.364 -2.526 8.229 1.00 0.00 C ATOM 1132 CE LYS A 79 4.216 -2.358 9.213 1.00 0.00 C ATOM 1133 NZ LYS A 79 4.402 -1.164 10.083 1.00 0.00 N ATOM 0 H LYS A 79 4.721 -2.713 4.142 1.00 0.00 H new ATOM 0 HA LYS A 79 5.629 -0.109 4.916 1.00 0.00 H new ATOM 0 HB2 LYS A 79 6.132 -2.967 5.733 1.00 0.00 H new ATOM 0 HB3 LYS A 79 7.234 -1.723 6.288 1.00 0.00 H new ATOM 0 HG2 LYS A 79 5.458 -0.540 7.423 1.00 0.00 H new ATOM 0 HG3 LYS A 79 4.231 -1.553 6.688 1.00 0.00 H new ATOM 0 HD2 LYS A 79 5.370 -3.547 7.847 1.00 0.00 H new ATOM 0 HD3 LYS A 79 6.312 -2.373 8.745 1.00 0.00 H new ATOM 0 HE2 LYS A 79 3.278 -2.266 8.665 1.00 0.00 H new ATOM 0 HE3 LYS A 79 4.136 -3.251 9.833 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 3.599 -1.084 10.739 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 5.284 -1.264 10.625 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 4.453 -0.309 9.493 1.00 0.00 H new ATOM 1147 N GLY A 80 7.468 -1.906 2.925 1.00 0.00 N ATOM 1148 CA GLY A 80 8.671 -1.885 2.114 1.00 0.00 C ATOM 1149 C GLY A 80 8.563 -0.930 0.942 1.00 0.00 C ATOM 1150 O GLY A 80 9.242 -1.099 -0.072 1.00 0.00 O ATOM 0 H GLY A 80 6.816 -2.659 2.705 1.00 0.00 H new ATOM 0 HA2 GLY A 80 9.519 -1.598 2.735 1.00 0.00 H new ATOM 0 HA3 GLY A 80 8.873 -2.890 1.743 1.00 0.00 H new ATOM 1154 N LEU A 81 7.707 0.077 1.078 1.00 0.00 N ATOM 1155 CA LEU A 81 7.510 1.062 0.021 1.00 0.00 C ATOM 1156 C LEU A 81 8.022 2.433 0.452 1.00 0.00 C ATOM 1157 O LEU A 81 7.941 3.403 -0.301 1.00 0.00 O ATOM 1158 CB LEU A 81 6.029 1.153 -0.350 1.00 0.00 C ATOM 1159 CG LEU A 81 5.278 -0.176 -0.445 1.00 0.00 C ATOM 1160 CD1 LEU A 81 3.845 0.052 -0.898 1.00 0.00 C ATOM 1161 CD2 LEU A 81 5.995 -1.127 -1.393 1.00 0.00 C ATOM 0 H LEU A 81 7.138 0.233 1.910 1.00 0.00 H new ATOM 0 HA LEU A 81 8.078 0.739 -0.852 1.00 0.00 H new ATOM 0 HB2 LEU A 81 5.528 1.779 0.389 1.00 0.00 H new ATOM 0 HB3 LEU A 81 5.946 1.664 -1.309 1.00 0.00 H new ATOM 0 HG LEU A 81 5.256 -0.631 0.545 1.00 0.00 H new ATOM 0 HD11 LEU A 81 3.326 -0.905 -0.960 1.00 0.00 H new ATOM 0 HD12 LEU A 81 3.335 0.696 -0.181 1.00 0.00 H new ATOM 0 HD13 LEU A 81 3.845 0.529 -1.878 1.00 0.00 H new ATOM 0 HD21 LEU A 81 5.447 -2.067 -1.448 1.00 0.00 H new ATOM 0 HD22 LEU A 81 6.049 -0.679 -2.385 1.00 0.00 H new ATOM 0 HD23 LEU A 81 7.003 -1.316 -1.025 1.00 0.00 H new ATOM 1173 N LYS A 82 8.552 2.505 1.669 1.00 0.00 N ATOM 1174 CA LYS A 82 9.082 3.755 2.200 1.00 0.00 C ATOM 1175 C LYS A 82 10.310 4.203 1.414 1.00 0.00 C ATOM 1176 O LYS A 82 10.592 5.397 1.315 1.00 0.00 O ATOM 1177 CB LYS A 82 9.440 3.593 3.679 1.00 0.00 C ATOM 1178 CG LYS A 82 10.273 4.737 4.232 1.00 0.00 C ATOM 1179 CD LYS A 82 10.954 4.352 5.534 1.00 0.00 C ATOM 1180 CE LYS A 82 10.043 4.583 6.730 1.00 0.00 C ATOM 1181 NZ LYS A 82 10.624 4.031 7.985 1.00 0.00 N ATOM 0 H LYS A 82 8.626 1.712 2.306 1.00 0.00 H new ATOM 0 HA LYS A 82 8.311 4.519 2.101 1.00 0.00 H new ATOM 0 HB2 LYS A 82 8.521 3.510 4.260 1.00 0.00 H new ATOM 0 HB3 LYS A 82 9.987 2.659 3.812 1.00 0.00 H new ATOM 0 HG2 LYS A 82 11.025 5.028 3.499 1.00 0.00 H new ATOM 0 HG3 LYS A 82 9.636 5.606 4.397 1.00 0.00 H new ATOM 0 HD2 LYS A 82 11.247 3.303 5.496 1.00 0.00 H new ATOM 0 HD3 LYS A 82 11.868 4.934 5.654 1.00 0.00 H new ATOM 0 HE2 LYS A 82 9.867 5.652 6.851 1.00 0.00 H new ATOM 0 HE3 LYS A 82 9.074 4.119 6.544 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 9.973 4.209 8.776 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 10.769 3.007 7.879 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 11.536 4.492 8.177 1.00 0.00 H new ATOM 1195 N ASN A 83 11.035 3.239 0.857 1.00 0.00 N ATOM 1196 CA ASN A 83 12.232 3.535 0.079 1.00 0.00 C ATOM 1197 C ASN A 83 11.902 3.646 -1.406 1.00 0.00 C ATOM 1198 O ASN A 83 12.793 3.813 -2.238 1.00 0.00 O ATOM 1199 CB ASN A 83 13.290 2.452 0.299 1.00 0.00 C ATOM 1200 CG ASN A 83 12.742 1.056 0.076 1.00 0.00 C ATOM 1201 OD1 ASN A 83 11.680 0.882 -0.522 1.00 0.00 O ATOM 1202 ND2 ASN A 83 13.467 0.052 0.556 1.00 0.00 N ATOM 0 H ASN A 83 10.814 2.246 0.930 1.00 0.00 H new ATOM 0 HA ASN A 83 12.627 4.493 0.417 1.00 0.00 H new ATOM 0 HB2 ASN A 83 14.127 2.623 -0.377 1.00 0.00 H new ATOM 0 HB3 ASN A 83 13.679 2.529 1.314 1.00 0.00 H new ATOM 0 HD21 ASN A 83 13.149 -0.910 0.435 1.00 0.00 H new ATOM 0 HD22 ASN A 83 14.341 0.243 1.045 1.00 0.00 H new ATOM 1209 N GLN A 84 10.617 3.552 -1.730 1.00 0.00 N ATOM 1210 CA GLN A 84 10.170 3.641 -3.115 1.00 0.00 C ATOM 1211 C GLN A 84 9.288 4.868 -3.324 1.00 0.00 C ATOM 1212 O GLN A 84 8.097 4.849 -3.015 1.00 0.00 O ATOM 1213 CB GLN A 84 9.405 2.376 -3.509 1.00 0.00 C ATOM 1214 CG GLN A 84 10.057 1.094 -3.017 1.00 0.00 C ATOM 1215 CD GLN A 84 9.792 -0.084 -3.934 1.00 0.00 C ATOM 1216 OE1 GLN A 84 9.141 0.055 -4.970 1.00 0.00 O ATOM 1217 NE2 GLN A 84 10.296 -1.253 -3.557 1.00 0.00 N ATOM 0 H GLN A 84 9.867 3.414 -1.053 1.00 0.00 H new ATOM 0 HA GLN A 84 11.051 3.736 -3.749 1.00 0.00 H new ATOM 0 HB2 GLN A 84 8.392 2.435 -3.111 1.00 0.00 H new ATOM 0 HB3 GLN A 84 9.319 2.337 -4.595 1.00 0.00 H new ATOM 0 HG2 GLN A 84 11.133 1.248 -2.931 1.00 0.00 H new ATOM 0 HG3 GLN A 84 9.687 0.863 -2.018 1.00 0.00 H new ATOM 0 HE21 GLN A 84 10.829 -1.323 -2.690 1.00 0.00 H new ATOM 0 HE22 GLN A 84 10.150 -2.081 -4.134 1.00 0.00 H new ATOM 1226 N SER A 85 9.882 5.934 -3.851 1.00 0.00 N ATOM 1227 CA SER A 85 9.152 7.172 -4.098 1.00 0.00 C ATOM 1228 C SER A 85 7.889 6.905 -4.911 1.00 0.00 C ATOM 1229 O SER A 85 6.791 7.306 -4.524 1.00 0.00 O ATOM 1230 CB SER A 85 10.042 8.176 -4.832 1.00 0.00 C ATOM 1231 OG SER A 85 10.690 7.571 -5.937 1.00 0.00 O ATOM 0 H SER A 85 10.867 5.965 -4.115 1.00 0.00 H new ATOM 0 HA SER A 85 8.861 7.592 -3.135 1.00 0.00 H new ATOM 0 HB2 SER A 85 9.440 9.017 -5.176 1.00 0.00 H new ATOM 0 HB3 SER A 85 10.787 8.577 -4.145 1.00 0.00 H new ATOM 0 HG SER A 85 11.214 8.245 -6.418 1.00 0.00 H new ATOM 1237 N ARG A 86 8.053 6.224 -6.040 1.00 0.00 N ATOM 1238 CA ARG A 86 6.927 5.903 -6.909 1.00 0.00 C ATOM 1239 C ARG A 86 6.570 4.423 -6.812 1.00 0.00 C ATOM 1240 O ARG A 86 7.394 3.554 -7.097 1.00 0.00 O ATOM 1241 CB ARG A 86 7.256 6.265 -8.359 1.00 0.00 C ATOM 1242 CG ARG A 86 6.032 6.363 -9.255 1.00 0.00 C ATOM 1243 CD ARG A 86 6.420 6.446 -10.723 1.00 0.00 C ATOM 1244 NE ARG A 86 7.045 7.725 -11.052 1.00 0.00 N ATOM 1245 CZ ARG A 86 7.733 7.941 -12.167 1.00 0.00 C ATOM 1246 NH1 ARG A 86 7.884 6.968 -13.056 1.00 0.00 N ATOM 1247 NH2 ARG A 86 8.272 9.132 -12.395 1.00 0.00 N ATOM 0 H ARG A 86 8.955 5.884 -6.375 1.00 0.00 H new ATOM 0 HA ARG A 86 6.068 6.488 -6.581 1.00 0.00 H new ATOM 0 HB2 ARG A 86 7.785 7.218 -8.376 1.00 0.00 H new ATOM 0 HB3 ARG A 86 7.935 5.516 -8.766 1.00 0.00 H new ATOM 0 HG2 ARG A 86 5.393 5.495 -9.095 1.00 0.00 H new ATOM 0 HG3 ARG A 86 5.449 7.243 -8.981 1.00 0.00 H new ATOM 0 HD2 ARG A 86 7.107 5.634 -10.963 1.00 0.00 H new ATOM 0 HD3 ARG A 86 5.533 6.306 -11.341 1.00 0.00 H new ATOM 0 HE ARG A 86 6.948 8.494 -10.389 1.00 0.00 H new ATOM 0 HH11 ARG A 86 7.471 6.051 -12.884 1.00 0.00 H new ATOM 0 HH12 ARG A 86 8.413 7.137 -13.912 1.00 0.00 H new ATOM 0 HH21 ARG A 86 8.158 9.882 -11.714 1.00 0.00 H new ATOM 0 HH22 ARG A 86 8.800 9.297 -13.252 1.00 0.00 H new ATOM 1261 N VAL A 87 5.335 4.143 -6.407 1.00 0.00 N ATOM 1262 CA VAL A 87 4.867 2.769 -6.273 1.00 0.00 C ATOM 1263 C VAL A 87 3.550 2.561 -7.012 1.00 0.00 C ATOM 1264 O VAL A 87 2.639 3.385 -6.925 1.00 0.00 O ATOM 1265 CB VAL A 87 4.679 2.382 -4.794 1.00 0.00 C ATOM 1266 CG1 VAL A 87 4.479 0.880 -4.655 1.00 0.00 C ATOM 1267 CG2 VAL A 87 5.868 2.848 -3.967 1.00 0.00 C ATOM 0 H VAL A 87 4.641 4.850 -6.166 1.00 0.00 H new ATOM 0 HA VAL A 87 5.632 2.130 -6.714 1.00 0.00 H new ATOM 0 HB VAL A 87 3.785 2.879 -4.417 1.00 0.00 H new ATOM 0 HG11 VAL A 87 4.348 0.626 -3.603 1.00 0.00 H new ATOM 0 HG12 VAL A 87 3.594 0.578 -5.214 1.00 0.00 H new ATOM 0 HG13 VAL A 87 5.352 0.359 -5.048 1.00 0.00 H new ATOM 0 HG21 VAL A 87 5.719 2.567 -2.925 1.00 0.00 H new ATOM 0 HG22 VAL A 87 6.778 2.380 -4.343 1.00 0.00 H new ATOM 0 HG23 VAL A 87 5.960 3.932 -4.041 1.00 0.00 H new ATOM 1277 N LYS A 88 3.455 1.454 -7.740 1.00 0.00 N ATOM 1278 CA LYS A 88 2.248 1.135 -8.495 1.00 0.00 C ATOM 1279 C LYS A 88 1.381 0.135 -7.737 1.00 0.00 C ATOM 1280 O LYS A 88 1.859 -0.916 -7.307 1.00 0.00 O ATOM 1281 CB LYS A 88 2.616 0.570 -9.869 1.00 0.00 C ATOM 1282 CG LYS A 88 1.437 -0.032 -10.614 1.00 0.00 C ATOM 1283 CD LYS A 88 1.863 -0.626 -11.946 1.00 0.00 C ATOM 1284 CE LYS A 88 0.928 -1.743 -12.383 1.00 0.00 C ATOM 1285 NZ LYS A 88 0.923 -1.914 -13.862 1.00 0.00 N ATOM 0 H LYS A 88 4.200 0.762 -7.824 1.00 0.00 H new ATOM 0 HA LYS A 88 1.678 2.055 -8.628 1.00 0.00 H new ATOM 0 HB2 LYS A 88 3.051 1.365 -10.475 1.00 0.00 H new ATOM 0 HB3 LYS A 88 3.385 -0.193 -9.745 1.00 0.00 H new ATOM 0 HG2 LYS A 88 0.975 -0.806 -10.001 1.00 0.00 H new ATOM 0 HG3 LYS A 88 0.681 0.735 -10.782 1.00 0.00 H new ATOM 0 HD2 LYS A 88 1.878 0.155 -12.706 1.00 0.00 H new ATOM 0 HD3 LYS A 88 2.879 -1.012 -11.865 1.00 0.00 H new ATOM 0 HE2 LYS A 88 1.232 -2.677 -11.910 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -0.083 -1.526 -12.039 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 0.274 -2.684 -14.120 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 0.609 -1.031 -14.313 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 1.883 -2.146 -14.188 1.00 0.00 H new ATOM 1299 N LEU A 89 0.105 0.467 -7.578 1.00 0.00 N ATOM 1300 CA LEU A 89 -0.830 -0.404 -6.873 1.00 0.00 C ATOM 1301 C LEU A 89 -2.186 -0.425 -7.571 1.00 0.00 C ATOM 1302 O LEU A 89 -2.661 0.601 -8.057 1.00 0.00 O ATOM 1303 CB LEU A 89 -0.996 0.060 -5.425 1.00 0.00 C ATOM 1304 CG LEU A 89 0.218 0.745 -4.796 1.00 0.00 C ATOM 1305 CD1 LEU A 89 -0.212 1.636 -3.641 1.00 0.00 C ATOM 1306 CD2 LEU A 89 1.231 -0.288 -4.328 1.00 0.00 C ATOM 0 H LEU A 89 -0.306 1.333 -7.927 1.00 0.00 H new ATOM 0 HA LEU A 89 -0.423 -1.415 -6.880 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -1.840 0.748 -5.380 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -1.257 -0.805 -4.815 1.00 0.00 H new ATOM 0 HG LEU A 89 0.692 1.370 -5.553 1.00 0.00 H new ATOM 0 HD11 LEU A 89 0.665 2.115 -3.205 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -0.899 2.399 -4.007 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -0.710 1.033 -2.882 1.00 0.00 H new ATOM 0 HD21 LEU A 89 2.088 0.218 -3.883 1.00 0.00 H new ATOM 0 HD22 LEU A 89 0.770 -0.940 -3.586 1.00 0.00 H new ATOM 0 HD23 LEU A 89 1.563 -0.884 -5.178 1.00 0.00 H new ATOM 1318 N ASN A 90 -2.805 -1.600 -7.614 1.00 0.00 N ATOM 1319 CA ASN A 90 -4.108 -1.754 -8.251 1.00 0.00 C ATOM 1320 C ASN A 90 -5.234 -1.589 -7.234 1.00 0.00 C ATOM 1321 O ASN A 90 -5.337 -2.357 -6.277 1.00 0.00 O ATOM 1322 CB ASN A 90 -4.211 -3.124 -8.924 1.00 0.00 C ATOM 1323 CG ASN A 90 -5.222 -3.139 -10.054 1.00 0.00 C ATOM 1324 OD1 ASN A 90 -6.156 -2.196 -10.025 1.00 0.00 O flip ATOM 1325 ND2 ASN A 90 -5.164 -3.988 -10.943 1.00 0.00 N flip ATOM 0 H ASN A 90 -2.426 -2.459 -7.216 1.00 0.00 H new ATOM 0 HA ASN A 90 -4.209 -0.976 -9.008 1.00 0.00 H new ATOM 0 HB2 ASN A 90 -3.233 -3.410 -9.311 1.00 0.00 H new ATOM 0 HB3 ASN A 90 -4.490 -3.871 -8.181 1.00 0.00 H new ATOM 0 HD21 ASN A 90 -4.429 -4.695 -10.926 1.00 0.00 H new ATOM 0 HD22 ASN A 90 -5.851 -3.985 -11.697 1.00 0.00 H new ATOM 1332 N ILE A 91 -6.074 -0.582 -7.449 1.00 0.00 N ATOM 1333 CA ILE A 91 -7.193 -0.317 -6.553 1.00 0.00 C ATOM 1334 C ILE A 91 -8.518 -0.715 -7.194 1.00 0.00 C ATOM 1335 O ILE A 91 -8.684 -0.619 -8.410 1.00 0.00 O ATOM 1336 CB ILE A 91 -7.254 1.169 -6.153 1.00 0.00 C ATOM 1337 CG1 ILE A 91 -5.890 1.639 -5.644 1.00 0.00 C ATOM 1338 CG2 ILE A 91 -8.325 1.389 -5.095 1.00 0.00 C ATOM 1339 CD1 ILE A 91 -5.501 1.037 -4.312 1.00 0.00 C ATOM 0 H ILE A 91 -6.001 0.063 -8.235 1.00 0.00 H new ATOM 0 HA ILE A 91 -7.030 -0.919 -5.659 1.00 0.00 H new ATOM 0 HB ILE A 91 -7.514 1.757 -7.033 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -5.129 1.388 -6.383 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -5.900 2.725 -5.554 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -8.356 2.444 -4.823 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -9.295 1.088 -5.491 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -8.092 0.793 -4.212 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -4.523 1.415 -4.014 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -6.241 1.310 -3.559 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -5.458 -0.048 -4.402 1.00 0.00 H new ATOM 1351 N VAL A 92 -9.459 -1.159 -6.368 1.00 0.00 N ATOM 1352 CA VAL A 92 -10.772 -1.568 -6.854 1.00 0.00 C ATOM 1353 C VAL A 92 -11.863 -1.226 -5.845 1.00 0.00 C ATOM 1354 O VAL A 92 -11.944 -1.830 -4.776 1.00 0.00 O ATOM 1355 CB VAL A 92 -10.815 -3.079 -7.149 1.00 0.00 C ATOM 1356 CG1 VAL A 92 -12.217 -3.503 -7.559 1.00 0.00 C ATOM 1357 CG2 VAL A 92 -9.803 -3.441 -8.225 1.00 0.00 C ATOM 0 H VAL A 92 -9.337 -1.245 -5.359 1.00 0.00 H new ATOM 0 HA VAL A 92 -10.952 -1.020 -7.779 1.00 0.00 H new ATOM 0 HB VAL A 92 -10.550 -3.617 -6.239 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -12.228 -4.574 -7.763 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -12.915 -3.280 -6.752 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -12.514 -2.959 -8.456 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -9.847 -4.512 -8.421 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -10.034 -2.895 -9.140 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -8.801 -3.175 -7.887 1.00 0.00 H new ATOM 1367 N SER A 93 -12.700 -0.255 -6.194 1.00 0.00 N ATOM 1368 CA SER A 93 -13.785 0.170 -5.317 1.00 0.00 C ATOM 1369 C SER A 93 -14.343 -1.012 -4.531 1.00 0.00 C ATOM 1370 O SER A 93 -14.909 -1.942 -5.104 1.00 0.00 O ATOM 1371 CB SER A 93 -14.901 0.827 -6.133 1.00 0.00 C ATOM 1372 OG SER A 93 -16.164 0.629 -5.522 1.00 0.00 O ATOM 0 H SER A 93 -12.648 0.252 -7.077 1.00 0.00 H new ATOM 0 HA SER A 93 -13.384 0.897 -4.611 1.00 0.00 H new ATOM 0 HB2 SER A 93 -14.704 1.895 -6.231 1.00 0.00 H new ATOM 0 HB3 SER A 93 -14.912 0.411 -7.141 1.00 0.00 H new ATOM 0 HG SER A 93 -16.860 1.059 -6.062 1.00 0.00 H new ATOM 1378 N GLY A 94 -14.178 -0.968 -3.212 1.00 0.00 N ATOM 1379 CA GLY A 94 -14.669 -2.041 -2.367 1.00 0.00 C ATOM 1380 C GLY A 94 -16.159 -2.270 -2.529 1.00 0.00 C ATOM 1381 O GLY A 94 -16.767 -1.863 -3.519 1.00 0.00 O ATOM 0 H GLY A 94 -13.713 -0.209 -2.714 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -14.135 -2.961 -2.606 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -14.451 -1.807 -1.325 1.00 0.00 H new ATOM 1385 N PRO A 95 -16.770 -2.937 -1.538 1.00 0.00 N ATOM 1386 CA PRO A 95 -18.205 -3.236 -1.553 1.00 0.00 C ATOM 1387 C PRO A 95 -19.059 -1.986 -1.369 1.00 0.00 C ATOM 1388 O PRO A 95 -20.288 -2.053 -1.393 1.00 0.00 O ATOM 1389 CB PRO A 95 -18.382 -4.183 -0.364 1.00 0.00 C ATOM 1390 CG PRO A 95 -17.255 -3.854 0.554 1.00 0.00 C ATOM 1391 CD PRO A 95 -16.107 -3.451 -0.328 1.00 0.00 C ATOM 0 HA PRO A 95 -18.523 -3.661 -2.505 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -19.346 -4.032 0.122 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -18.344 -5.226 -0.679 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -17.528 -3.046 1.233 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -16.991 -4.713 1.171 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -15.486 -2.690 0.144 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -15.458 -4.297 -0.554 1.00 0.00 H new ATOM 1399 N SER A 96 -18.400 -0.846 -1.187 1.00 0.00 N ATOM 1400 CA SER A 96 -19.100 0.419 -0.996 1.00 0.00 C ATOM 1401 C SER A 96 -20.193 0.599 -2.045 1.00 0.00 C ATOM 1402 O SER A 96 -20.073 0.117 -3.172 1.00 0.00 O ATOM 1403 CB SER A 96 -18.114 1.587 -1.066 1.00 0.00 C ATOM 1404 OG SER A 96 -17.702 1.828 -2.400 1.00 0.00 O ATOM 0 H SER A 96 -17.383 -0.772 -1.168 1.00 0.00 H new ATOM 0 HA SER A 96 -19.565 0.403 -0.010 1.00 0.00 H new ATOM 0 HB2 SER A 96 -18.579 2.484 -0.658 1.00 0.00 H new ATOM 0 HB3 SER A 96 -17.244 1.370 -0.447 1.00 0.00 H new ATOM 0 HG SER A 96 -17.074 2.580 -2.418 1.00 0.00 H new ATOM 1410 N SER A 97 -21.259 1.295 -1.666 1.00 0.00 N ATOM 1411 CA SER A 97 -22.377 1.536 -2.571 1.00 0.00 C ATOM 1412 C SER A 97 -22.264 2.912 -3.220 1.00 0.00 C ATOM 1413 O SER A 97 -21.847 3.879 -2.583 1.00 0.00 O ATOM 1414 CB SER A 97 -23.704 1.422 -1.818 1.00 0.00 C ATOM 1415 OG SER A 97 -24.795 1.774 -2.652 1.00 0.00 O ATOM 0 H SER A 97 -21.373 1.702 -0.738 1.00 0.00 H new ATOM 0 HA SER A 97 -22.347 0.780 -3.356 1.00 0.00 H new ATOM 0 HB2 SER A 97 -23.834 0.402 -1.455 1.00 0.00 H new ATOM 0 HB3 SER A 97 -23.686 2.072 -0.943 1.00 0.00 H new ATOM 0 HG SER A 97 -25.632 1.691 -2.148 1.00 0.00 H new ATOM 1421 N GLY A 98 -22.639 2.992 -4.493 1.00 0.00 N ATOM 1422 CA GLY A 98 -22.573 4.254 -5.208 1.00 0.00 C ATOM 1423 C GLY A 98 -23.851 5.059 -5.083 1.00 0.00 C ATOM 1424 O GLY A 98 -24.915 4.507 -4.804 1.00 0.00 O ATOM 0 H GLY A 98 -22.987 2.206 -5.042 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -21.738 4.842 -4.825 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -22.370 4.061 -6.261 1.00 0.00 H new TER 1428 GLY A 98