USER MOD reduce.3.24.130724 H: found=0, std=0, add=839, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 842 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 99 ASN : amide:sc= 1.13 K(o=2.2,f=0.91) USER MOD Set 1.2: A 102 MET CE :methyl 156:sc= -0.1 (180deg=-0.601) USER MOD Set 1.3: A 103 THR OG1 : rot 83:sc= 1.19 USER MOD Set 2.1: A 59 MET CE :methyl -113:sc= -2.68! (180deg=-4.82!) USER MOD Set 2.2: A 88 MET CE :methyl -153:sc= -0.0478 (180deg=-0.42) USER MOD Set 3.1: A 51 THR OG1 : rot 31:sc= -0.77! USER MOD Set 3.2: A 58 MET CE :methyl 179:sc= -1.4 (180deg=-1.16) USER MOD Set 3.3: A 97 MET CE :methyl 144:sc= -1.51 (180deg=-1.59) USER MOD Set 4.1: A 28 THR OG1 : rot 180:sc= 0 USER MOD Set 4.2: A 39 THR OG1 : rot 180:sc= -0.401 USER MOD Single : A 3 HIS : no HD1:sc=-0.00663 X(o=-0.0066,f=0) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 SER OG : rot 180:sc= 0.0049 USER MOD Single : A 19 ASN : amide:sc=-0.00985 K(o=-0.0098,f=-2!) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= 1 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0.00279 USER MOD Single : A 36 LYS NZ :NH3+ -163:sc= 1.18 (180deg=0.835) USER MOD Single : A 38 HIS : no HD1:sc= -0.0612 X(o=-0.061,f=-0.061) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot -60:sc= 1.23 USER MOD Single : A 47 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0388) USER MOD Single : A 49 GLN : amide:sc= -0.598 K(o=-0.6,f=-4.7!) USER MOD Single : A 54 SER OG : rot 180:sc= 0.0377 USER MOD Single : A 55 SER OG : rot -125:sc= -2.59! USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ -178:sc= 0.966 (180deg=0.961) USER MOD Single : A 69 SER OG : rot 71:sc= 0.828 USER MOD Single : A 70 LYS NZ :NH3+ -158:sc= -2.61! (180deg=-3.13!) USER MOD Single : A 71 LYS NZ :NH3+ -147:sc= 0.345 (180deg=0.0156) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 78 ASN : amide:sc= 0.446 K(o=0.45,f=-0.24) USER MOD Single : A 87 HIS : no HD1:sc= -0.769 K(o=-0.77,f=0.21) USER MOD Single : A 90 SER OG : rot 180:sc= -0.813 USER MOD Single : A 92 ASN : amide:sc= -0.0187 K(o=-0.019,f=-0.83) USER MOD Single : A 93 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 GLN : amide:sc= -1.51 K(o=-1.5,f=-2) USER MOD Single : A 106 GLN : amide:sc= -1.16 K(o=-1.2,f=-0.44) USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 111 TYR OH : rot 150:sc= 0.23 USER MOD Single : A 112 LYS NZ :NH3+ -144:sc= 1.26 (180deg=-0.476) USER MOD ----------------------------------------------------------------- ATOM 28 N HIS A 3 -15.727 -1.238 -5.047 1.00 0.37 N ATOM 29 CA HIS A 3 -14.626 -0.680 -5.859 1.00 0.29 C ATOM 30 C HIS A 3 -14.096 0.642 -5.293 1.00 0.19 C ATOM 31 O HIS A 3 -13.065 1.132 -5.742 1.00 0.28 O ATOM 32 CB HIS A 3 -15.032 -0.420 -7.316 1.00 0.46 C ATOM 33 CG HIS A 3 -15.201 -1.630 -8.180 1.00 0.30 C ATOM 34 ND1 HIS A 3 -16.359 -2.371 -8.226 1.00 0.49 N ATOM 35 CD2 HIS A 3 -14.356 -2.197 -9.074 1.00 0.50 C ATOM 36 CE1 HIS A 3 -16.218 -3.346 -9.105 1.00 0.66 C ATOM 37 NE2 HIS A 3 -15.012 -3.265 -9.635 1.00 0.75 N ATOM 0 HA HIS A 3 -13.850 -1.445 -5.823 1.00 0.29 H new ATOM 0 HB2 HIS A 3 -15.970 0.135 -7.317 1.00 0.46 H new ATOM 0 HB3 HIS A 3 -14.280 0.224 -7.772 1.00 0.46 H new ATOM 0 HD2 HIS A 3 -13.353 -1.870 -9.303 1.00 0.50 H new ATOM 0 HE1 HIS A 3 -16.965 -4.087 -9.350 1.00 0.66 H new ATOM 0 HE2 HIS A 3 -14.631 -3.892 -10.344 1.00 0.75 H new ATOM 46 N SER A 4 -14.794 1.234 -4.333 1.00 0.16 N ATOM 47 CA SER A 4 -14.442 2.574 -3.886 1.00 0.14 C ATOM 48 C SER A 4 -14.936 2.867 -2.474 1.00 0.15 C ATOM 49 O SER A 4 -15.767 2.140 -1.926 1.00 0.24 O ATOM 50 CB SER A 4 -15.015 3.597 -4.869 1.00 0.19 C ATOM 51 OG SER A 4 -16.376 3.314 -5.164 1.00 1.09 O ATOM 0 H SER A 4 -15.593 0.816 -3.856 1.00 0.16 H new ATOM 0 HA SER A 4 -13.355 2.643 -3.859 1.00 0.14 H new ATOM 0 HB2 SER A 4 -14.931 4.598 -4.447 1.00 0.19 H new ATOM 0 HB3 SER A 4 -14.431 3.589 -5.789 1.00 0.19 H new ATOM 0 HG SER A 4 -16.720 3.982 -5.793 1.00 1.09 H new ATOM 57 N GLY A 5 -14.412 3.944 -1.903 1.00 0.13 N ATOM 58 CA GLY A 5 -14.773 4.357 -0.565 1.00 0.14 C ATOM 59 C GLY A 5 -13.927 5.530 -0.124 1.00 0.12 C ATOM 60 O GLY A 5 -13.251 6.136 -0.946 1.00 0.16 O ATOM 0 H GLY A 5 -13.728 4.549 -2.357 1.00 0.13 H new ATOM 0 HA2 GLY A 5 -15.828 4.631 -0.535 1.00 0.14 H new ATOM 0 HA3 GLY A 5 -14.640 3.525 0.127 1.00 0.14 H new ATOM 64 N ALA A 6 -13.942 5.853 1.155 1.00 0.13 N ATOM 65 CA ALA A 6 -13.135 6.948 1.662 1.00 0.12 C ATOM 66 C ALA A 6 -11.804 6.425 2.186 1.00 0.11 C ATOM 67 O ALA A 6 -11.766 5.428 2.909 1.00 0.16 O ATOM 68 CB ALA A 6 -13.874 7.693 2.755 1.00 0.13 C ATOM 0 H ALA A 6 -14.502 5.375 1.861 1.00 0.13 H new ATOM 0 HA ALA A 6 -12.941 7.641 0.843 1.00 0.12 H new ATOM 0 HB1 ALA A 6 -13.253 8.510 3.122 1.00 0.13 H new ATOM 0 HB2 ALA A 6 -14.805 8.096 2.356 1.00 0.13 H new ATOM 0 HB3 ALA A 6 -14.097 7.010 3.575 1.00 0.13 H new ATOM 74 N ALA A 7 -10.723 7.096 1.824 1.00 0.10 N ATOM 75 CA ALA A 7 -9.388 6.672 2.227 1.00 0.10 C ATOM 76 C ALA A 7 -8.456 7.863 2.426 1.00 0.10 C ATOM 77 O ALA A 7 -8.543 8.862 1.720 1.00 0.11 O ATOM 78 CB ALA A 7 -8.799 5.722 1.195 1.00 0.11 C ATOM 0 H ALA A 7 -10.742 7.939 1.250 1.00 0.10 H new ATOM 0 HA ALA A 7 -9.483 6.154 3.181 1.00 0.10 H new ATOM 0 HB1 ALA A 7 -7.802 5.415 1.511 1.00 0.11 H new ATOM 0 HB2 ALA A 7 -9.437 4.843 1.103 1.00 0.11 H new ATOM 0 HB3 ALA A 7 -8.735 6.226 0.231 1.00 0.11 H new ATOM 84 N ILE A 8 -7.571 7.745 3.398 1.00 0.13 N ATOM 85 CA ILE A 8 -6.561 8.756 3.667 1.00 0.13 C ATOM 86 C ILE A 8 -5.211 8.305 3.129 1.00 0.16 C ATOM 87 O ILE A 8 -4.682 7.285 3.550 1.00 0.27 O ATOM 88 CB ILE A 8 -6.426 9.017 5.183 1.00 0.20 C ATOM 89 CG1 ILE A 8 -7.718 9.593 5.756 1.00 0.24 C ATOM 90 CG2 ILE A 8 -5.260 9.954 5.468 1.00 0.24 C ATOM 91 CD1 ILE A 8 -7.718 9.687 7.264 1.00 0.33 C ATOM 0 H ILE A 8 -7.531 6.943 4.027 1.00 0.13 H new ATOM 0 HA ILE A 8 -6.874 9.675 3.172 1.00 0.13 H new ATOM 0 HB ILE A 8 -6.231 8.061 5.669 1.00 0.20 H new ATOM 0 HG12 ILE A 8 -7.881 10.586 5.338 1.00 0.24 H new ATOM 0 HG13 ILE A 8 -8.556 8.972 5.438 1.00 0.24 H new ATOM 0 HG21 ILE A 8 -5.184 10.124 6.542 1.00 0.24 H new ATOM 0 HG22 ILE A 8 -4.335 9.505 5.105 1.00 0.24 H new ATOM 0 HG23 ILE A 8 -5.425 10.905 4.961 1.00 0.24 H new ATOM 0 HD11 ILE A 8 -8.666 10.105 7.603 1.00 0.33 H new ATOM 0 HD12 ILE A 8 -7.587 8.693 7.691 1.00 0.33 H new ATOM 0 HD13 ILE A 8 -6.901 10.332 7.588 1.00 0.33 H new ATOM 103 N PHE A 9 -4.649 9.059 2.213 1.00 0.15 N ATOM 104 CA PHE A 9 -3.355 8.717 1.653 1.00 0.17 C ATOM 105 C PHE A 9 -2.422 9.902 1.798 1.00 0.24 C ATOM 106 O PHE A 9 -2.835 11.029 1.590 1.00 0.27 O ATOM 107 CB PHE A 9 -3.496 8.309 0.186 1.00 0.19 C ATOM 108 CG PHE A 9 -2.224 7.819 -0.447 1.00 0.23 C ATOM 109 CD1 PHE A 9 -1.447 6.867 0.190 1.00 0.25 C ATOM 110 CD2 PHE A 9 -1.806 8.309 -1.674 1.00 0.30 C ATOM 111 CE1 PHE A 9 -0.275 6.414 -0.385 1.00 0.31 C ATOM 112 CE2 PHE A 9 -0.636 7.859 -2.253 1.00 0.36 C ATOM 113 CZ PHE A 9 0.122 6.914 -1.626 1.00 0.35 C ATOM 0 H PHE A 9 -5.064 9.912 1.838 1.00 0.15 H new ATOM 0 HA PHE A 9 -2.938 7.867 2.194 1.00 0.17 H new ATOM 0 HB2 PHE A 9 -4.250 7.526 0.110 1.00 0.19 H new ATOM 0 HB3 PHE A 9 -3.865 9.163 -0.382 1.00 0.19 H new ATOM 0 HD1 PHE A 9 -1.760 6.474 1.146 1.00 0.25 H new ATOM 0 HD2 PHE A 9 -2.402 9.052 -2.183 1.00 0.30 H new ATOM 0 HE1 PHE A 9 0.330 5.678 0.123 1.00 0.31 H new ATOM 0 HE2 PHE A 9 -0.320 8.257 -3.206 1.00 0.36 H new ATOM 0 HZ PHE A 9 1.028 6.553 -2.089 1.00 0.35 H new ATOM 123 N GLU A 10 -1.180 9.636 2.190 1.00 0.30 N ATOM 124 CA GLU A 10 -0.187 10.685 2.459 1.00 0.38 C ATOM 125 C GLU A 10 -0.666 11.566 3.608 1.00 0.35 C ATOM 126 O GLU A 10 -0.249 12.721 3.740 1.00 0.39 O ATOM 127 CB GLU A 10 0.089 11.555 1.221 1.00 0.43 C ATOM 128 CG GLU A 10 0.062 10.795 -0.092 1.00 0.38 C ATOM 129 CD GLU A 10 0.767 11.525 -1.215 1.00 0.51 C ATOM 130 OE1 GLU A 10 2.009 11.431 -1.303 1.00 0.80 O ATOM 131 OE2 GLU A 10 0.086 12.184 -2.026 1.00 0.75 O ATOM 0 H GLU A 10 -0.828 8.689 2.332 1.00 0.30 H new ATOM 0 HA GLU A 10 0.746 10.191 2.729 1.00 0.38 H new ATOM 0 HB2 GLU A 10 -0.651 12.354 1.180 1.00 0.43 H new ATOM 0 HB3 GLU A 10 1.064 12.029 1.334 1.00 0.43 H new ATOM 0 HG2 GLU A 10 0.529 9.820 0.049 1.00 0.38 H new ATOM 0 HG3 GLU A 10 -0.974 10.613 -0.379 1.00 0.38 H new ATOM 138 N LYS A 11 -1.553 10.999 4.430 1.00 0.32 N ATOM 139 CA LYS A 11 -2.147 11.684 5.577 1.00 0.33 C ATOM 140 C LYS A 11 -3.083 12.822 5.167 1.00 0.25 C ATOM 141 O LYS A 11 -3.592 13.553 6.014 1.00 0.29 O ATOM 142 CB LYS A 11 -1.072 12.159 6.545 1.00 0.42 C ATOM 143 CG LYS A 11 -0.369 10.996 7.216 1.00 0.51 C ATOM 144 CD LYS A 11 0.559 11.451 8.322 1.00 0.69 C ATOM 145 CE LYS A 11 1.680 12.304 7.772 1.00 1.43 C ATOM 146 NZ LYS A 11 2.659 12.689 8.820 1.00 2.11 N ATOM 0 H LYS A 11 -1.881 10.040 4.315 1.00 0.32 H new ATOM 0 HA LYS A 11 -2.769 10.954 6.095 1.00 0.33 H new ATOM 0 HB2 LYS A 11 -0.342 12.765 6.009 1.00 0.42 H new ATOM 0 HB3 LYS A 11 -1.522 12.799 7.304 1.00 0.42 H new ATOM 0 HG2 LYS A 11 -1.112 10.312 7.626 1.00 0.51 H new ATOM 0 HG3 LYS A 11 0.201 10.439 6.472 1.00 0.51 H new ATOM 0 HD2 LYS A 11 -0.004 12.018 9.064 1.00 0.69 H new ATOM 0 HD3 LYS A 11 0.975 10.583 8.833 1.00 0.69 H new ATOM 0 HE2 LYS A 11 2.194 11.759 6.980 1.00 1.43 H new ATOM 0 HE3 LYS A 11 1.262 13.203 7.320 1.00 1.43 H new ATOM 0 HZ1 LYS A 11 3.409 13.273 8.397 1.00 2.11 H new ATOM 0 HZ2 LYS A 11 2.176 13.232 9.564 1.00 2.11 H new ATOM 0 HZ3 LYS A 11 3.079 11.832 9.234 1.00 2.11 H new ATOM 160 N VAL A 12 -3.314 12.966 3.870 1.00 0.22 N ATOM 161 CA VAL A 12 -4.390 13.804 3.380 1.00 0.18 C ATOM 162 C VAL A 12 -5.611 12.928 3.119 1.00 0.15 C ATOM 163 O VAL A 12 -5.520 11.894 2.456 1.00 0.16 O ATOM 164 CB VAL A 12 -3.981 14.611 2.116 1.00 0.21 C ATOM 165 CG1 VAL A 12 -3.063 13.817 1.215 1.00 0.21 C ATOM 166 CG2 VAL A 12 -5.195 15.063 1.326 1.00 0.21 C ATOM 0 H VAL A 12 -2.767 12.511 3.139 1.00 0.22 H new ATOM 0 HA VAL A 12 -4.631 14.548 4.139 1.00 0.18 H new ATOM 0 HB VAL A 12 -3.444 15.490 2.473 1.00 0.21 H new ATOM 0 HG11 VAL A 12 -2.801 14.417 0.343 1.00 0.21 H new ATOM 0 HG12 VAL A 12 -2.157 13.553 1.760 1.00 0.21 H new ATOM 0 HG13 VAL A 12 -3.569 12.907 0.891 1.00 0.21 H new ATOM 0 HG21 VAL A 12 -4.871 15.624 0.450 1.00 0.21 H new ATOM 0 HG22 VAL A 12 -5.767 14.192 1.008 1.00 0.21 H new ATOM 0 HG23 VAL A 12 -5.821 15.699 1.952 1.00 0.21 H new ATOM 176 N SER A 13 -6.736 13.310 3.697 1.00 0.15 N ATOM 177 CA SER A 13 -7.942 12.511 3.601 1.00 0.14 C ATOM 178 C SER A 13 -8.604 12.682 2.242 1.00 0.12 C ATOM 179 O SER A 13 -8.608 13.773 1.665 1.00 0.13 O ATOM 180 CB SER A 13 -8.907 12.877 4.731 1.00 0.19 C ATOM 181 OG SER A 13 -9.127 14.279 4.786 1.00 1.07 O ATOM 0 H SER A 13 -6.838 14.169 4.238 1.00 0.15 H new ATOM 0 HA SER A 13 -7.670 11.461 3.704 1.00 0.14 H new ATOM 0 HB2 SER A 13 -9.857 12.363 4.582 1.00 0.19 H new ATOM 0 HB3 SER A 13 -8.504 12.532 5.683 1.00 0.19 H new ATOM 0 HG SER A 13 -9.748 14.484 5.516 1.00 1.07 H new ATOM 187 N GLY A 14 -9.156 11.594 1.729 1.00 0.11 N ATOM 188 CA GLY A 14 -9.761 11.634 0.422 1.00 0.10 C ATOM 189 C GLY A 14 -10.683 10.469 0.157 1.00 0.09 C ATOM 190 O GLY A 14 -11.168 9.819 1.082 1.00 0.10 O ATOM 0 H GLY A 14 -9.194 10.688 2.195 1.00 0.11 H new ATOM 0 HA2 GLY A 14 -10.321 12.563 0.316 1.00 0.10 H new ATOM 0 HA3 GLY A 14 -8.976 11.647 -0.334 1.00 0.10 H new ATOM 194 N ILE A 15 -10.910 10.207 -1.116 1.00 0.08 N ATOM 195 CA ILE A 15 -11.794 9.146 -1.557 1.00 0.08 C ATOM 196 C ILE A 15 -11.040 8.223 -2.510 1.00 0.07 C ATOM 197 O ILE A 15 -10.378 8.684 -3.442 1.00 0.08 O ATOM 198 CB ILE A 15 -13.042 9.723 -2.266 1.00 0.10 C ATOM 199 CG1 ILE A 15 -13.878 10.570 -1.298 1.00 0.10 C ATOM 200 CG2 ILE A 15 -13.890 8.618 -2.883 1.00 0.13 C ATOM 201 CD1 ILE A 15 -14.282 9.851 -0.030 1.00 0.11 C ATOM 0 H ILE A 15 -10.482 10.730 -1.880 1.00 0.08 H new ATOM 0 HA ILE A 15 -12.127 8.585 -0.684 1.00 0.08 H new ATOM 0 HB ILE A 15 -12.694 10.367 -3.073 1.00 0.10 H new ATOM 0 HG12 ILE A 15 -13.311 11.462 -1.031 1.00 0.10 H new ATOM 0 HG13 ILE A 15 -14.778 10.907 -1.813 1.00 0.10 H new ATOM 0 HG21 ILE A 15 -14.759 9.057 -3.373 1.00 0.13 H new ATOM 0 HG22 ILE A 15 -13.297 8.071 -3.616 1.00 0.13 H new ATOM 0 HG23 ILE A 15 -14.221 7.934 -2.101 1.00 0.13 H new ATOM 0 HD11 ILE A 15 -14.870 10.522 0.597 1.00 0.11 H new ATOM 0 HD12 ILE A 15 -14.879 8.975 -0.283 1.00 0.11 H new ATOM 0 HD13 ILE A 15 -13.389 9.538 0.511 1.00 0.11 H new ATOM 213 N ILE A 16 -11.133 6.930 -2.273 1.00 0.07 N ATOM 214 CA ILE A 16 -10.407 5.957 -3.064 1.00 0.07 C ATOM 215 C ILE A 16 -11.342 5.299 -4.076 1.00 0.07 C ATOM 216 O ILE A 16 -12.483 4.958 -3.753 1.00 0.07 O ATOM 217 CB ILE A 16 -9.730 4.905 -2.144 1.00 0.08 C ATOM 218 CG1 ILE A 16 -8.262 4.739 -2.521 1.00 0.10 C ATOM 219 CG2 ILE A 16 -10.436 3.554 -2.183 1.00 0.09 C ATOM 220 CD1 ILE A 16 -7.491 3.872 -1.551 1.00 0.13 C ATOM 0 H ILE A 16 -11.708 6.527 -1.534 1.00 0.07 H new ATOM 0 HA ILE A 16 -9.618 6.466 -3.618 1.00 0.07 H new ATOM 0 HB ILE A 16 -9.805 5.279 -1.123 1.00 0.08 H new ATOM 0 HG12 ILE A 16 -8.197 4.303 -3.518 1.00 0.10 H new ATOM 0 HG13 ILE A 16 -7.793 5.722 -2.571 1.00 0.10 H new ATOM 0 HG21 ILE A 16 -9.922 2.856 -1.522 1.00 0.09 H new ATOM 0 HG22 ILE A 16 -11.468 3.673 -1.853 1.00 0.09 H new ATOM 0 HG23 ILE A 16 -10.423 3.166 -3.202 1.00 0.09 H new ATOM 0 HD11 ILE A 16 -6.454 3.795 -1.877 1.00 0.13 H new ATOM 0 HD12 ILE A 16 -7.526 4.318 -0.557 1.00 0.13 H new ATOM 0 HD13 ILE A 16 -7.936 2.878 -1.519 1.00 0.13 H new ATOM 232 N ALA A 17 -10.876 5.174 -5.306 1.00 0.07 N ATOM 233 CA ALA A 17 -11.663 4.562 -6.362 1.00 0.08 C ATOM 234 C ALA A 17 -10.815 3.615 -7.195 1.00 0.08 C ATOM 235 O ALA A 17 -9.730 3.969 -7.639 1.00 0.08 O ATOM 236 CB ALA A 17 -12.277 5.630 -7.252 1.00 0.10 C ATOM 0 H ALA A 17 -9.952 5.490 -5.599 1.00 0.07 H new ATOM 0 HA ALA A 17 -12.462 3.987 -5.895 1.00 0.08 H new ATOM 0 HB1 ALA A 17 -12.864 5.155 -8.038 1.00 0.10 H new ATOM 0 HB2 ALA A 17 -12.924 6.273 -6.655 1.00 0.10 H new ATOM 0 HB3 ALA A 17 -11.485 6.229 -7.702 1.00 0.10 H new ATOM 242 N ILE A 18 -11.311 2.415 -7.411 1.00 0.08 N ATOM 243 CA ILE A 18 -10.618 1.443 -8.235 1.00 0.09 C ATOM 244 C ILE A 18 -10.957 1.661 -9.699 1.00 0.09 C ATOM 245 O ILE A 18 -12.107 1.909 -10.058 1.00 0.13 O ATOM 246 CB ILE A 18 -10.973 0.010 -7.804 1.00 0.14 C ATOM 247 CG1 ILE A 18 -10.264 -0.301 -6.505 1.00 0.27 C ATOM 248 CG2 ILE A 18 -10.587 -1.001 -8.860 1.00 0.17 C ATOM 249 CD1 ILE A 18 -10.910 -1.404 -5.713 1.00 0.16 C ATOM 0 H ILE A 18 -12.196 2.087 -7.026 1.00 0.08 H new ATOM 0 HA ILE A 18 -9.545 1.579 -8.102 1.00 0.09 H new ATOM 0 HB ILE A 18 -12.053 -0.055 -7.669 1.00 0.14 H new ATOM 0 HG12 ILE A 18 -9.232 -0.578 -6.722 1.00 0.27 H new ATOM 0 HG13 ILE A 18 -10.231 0.601 -5.894 1.00 0.27 H new ATOM 0 HG21 ILE A 18 -10.853 -2.002 -8.520 1.00 0.17 H new ATOM 0 HG22 ILE A 18 -11.117 -0.780 -9.787 1.00 0.17 H new ATOM 0 HG23 ILE A 18 -9.512 -0.951 -9.036 1.00 0.17 H new ATOM 0 HD11 ILE A 18 -10.346 -1.571 -4.795 1.00 0.16 H new ATOM 0 HD12 ILE A 18 -11.933 -1.122 -5.465 1.00 0.16 H new ATOM 0 HD13 ILE A 18 -10.919 -2.319 -6.305 1.00 0.16 H new ATOM 261 N ASN A 19 -9.941 1.573 -10.526 1.00 0.10 N ATOM 262 CA ASN A 19 -10.063 1.880 -11.943 1.00 0.11 C ATOM 263 C ASN A 19 -9.969 0.621 -12.789 1.00 0.13 C ATOM 264 O ASN A 19 -8.894 0.065 -12.971 1.00 0.12 O ATOM 265 CB ASN A 19 -8.961 2.861 -12.360 1.00 0.13 C ATOM 266 CG ASN A 19 -9.376 3.742 -13.522 1.00 0.20 C ATOM 267 OD1 ASN A 19 -10.559 4.015 -13.716 1.00 0.91 O ATOM 268 ND2 ASN A 19 -8.405 4.213 -14.288 1.00 1.24 N ATOM 0 H ASN A 19 -9.004 1.287 -10.241 1.00 0.10 H new ATOM 0 HA ASN A 19 -11.041 2.332 -12.107 1.00 0.11 H new ATOM 0 HB2 ASN A 19 -8.697 3.489 -11.509 1.00 0.13 H new ATOM 0 HB3 ASN A 19 -8.066 2.302 -12.634 1.00 0.13 H new ATOM 0 HD21 ASN A 19 -8.626 4.826 -15.073 1.00 1.24 H new ATOM 0 HD22 ASN A 19 -7.435 3.963 -14.094 1.00 1.24 H new ATOM 275 N GLU A 20 -11.103 0.176 -13.299 1.00 0.16 N ATOM 276 CA GLU A 20 -11.157 -0.968 -14.197 1.00 0.20 C ATOM 277 C GLU A 20 -11.839 -0.568 -15.500 1.00 0.22 C ATOM 278 O GLU A 20 -12.367 0.542 -15.587 1.00 0.22 O ATOM 279 CB GLU A 20 -11.845 -2.158 -13.547 1.00 0.23 C ATOM 280 CG GLU A 20 -12.554 -1.827 -12.257 1.00 0.39 C ATOM 281 CD GLU A 20 -13.858 -1.087 -12.473 1.00 0.88 C ATOM 282 OE1 GLU A 20 -14.899 -1.755 -12.617 1.00 1.12 O ATOM 283 OE2 GLU A 20 -13.849 0.161 -12.498 1.00 1.20 O ATOM 0 H GLU A 20 -12.012 0.595 -13.104 1.00 0.16 H new ATOM 0 HA GLU A 20 -10.138 -1.282 -14.421 1.00 0.20 H new ATOM 0 HB2 GLU A 20 -12.566 -2.576 -14.249 1.00 0.23 H new ATOM 0 HB3 GLU A 20 -11.103 -2.933 -13.354 1.00 0.23 H new ATOM 0 HG2 GLU A 20 -12.752 -2.749 -11.710 1.00 0.39 H new ATOM 0 HG3 GLU A 20 -11.897 -1.221 -11.633 1.00 0.39 H new ATOM 290 N ASP A 21 -11.783 -1.451 -16.512 1.00 0.26 N ATOM 291 CA ASP A 21 -12.265 -1.155 -17.886 1.00 0.31 C ATOM 292 C ASP A 21 -11.199 -0.366 -18.634 1.00 0.29 C ATOM 293 O ASP A 21 -11.282 -0.120 -19.836 1.00 0.31 O ATOM 294 CB ASP A 21 -13.593 -0.387 -17.873 1.00 0.35 C ATOM 295 CG ASP A 21 -14.146 -0.127 -19.260 1.00 0.47 C ATOM 296 OD1 ASP A 21 -14.764 -1.045 -19.841 1.00 0.55 O ATOM 297 OD2 ASP A 21 -13.974 1.001 -19.771 1.00 0.58 O ATOM 0 H ASP A 21 -11.403 -2.392 -16.408 1.00 0.26 H new ATOM 0 HA ASP A 21 -12.448 -2.101 -18.396 1.00 0.31 H new ATOM 0 HB2 ASP A 21 -14.326 -0.951 -17.297 1.00 0.35 H new ATOM 0 HB3 ASP A 21 -13.450 0.565 -17.362 1.00 0.35 H new ATOM 302 N VAL A 22 -10.179 -0.019 -17.887 1.00 0.25 N ATOM 303 CA VAL A 22 -9.034 0.726 -18.367 1.00 0.24 C ATOM 304 C VAL A 22 -7.874 -0.226 -18.575 1.00 0.22 C ATOM 305 O VAL A 22 -8.046 -1.445 -18.485 1.00 0.23 O ATOM 306 CB VAL A 22 -8.650 1.838 -17.366 1.00 0.22 C ATOM 307 CG1 VAL A 22 -9.823 2.789 -17.180 1.00 0.24 C ATOM 308 CG2 VAL A 22 -8.224 1.253 -16.022 1.00 0.19 C ATOM 0 H VAL A 22 -10.118 -0.254 -16.896 1.00 0.25 H new ATOM 0 HA VAL A 22 -9.285 1.202 -19.315 1.00 0.24 H new ATOM 0 HB VAL A 22 -7.800 2.386 -17.773 1.00 0.22 H new ATOM 0 HG11 VAL A 22 -9.548 3.572 -16.473 1.00 0.24 H new ATOM 0 HG12 VAL A 22 -10.082 3.240 -18.138 1.00 0.24 H new ATOM 0 HG13 VAL A 22 -10.681 2.238 -16.795 1.00 0.24 H new ATOM 0 HG21 VAL A 22 -7.960 2.062 -15.340 1.00 0.19 H new ATOM 0 HG22 VAL A 22 -9.046 0.676 -15.599 1.00 0.19 H new ATOM 0 HG23 VAL A 22 -7.361 0.603 -16.165 1.00 0.19 H new ATOM 318 N SER A 23 -6.706 0.306 -18.865 1.00 0.22 N ATOM 319 CA SER A 23 -5.529 -0.527 -18.982 1.00 0.20 C ATOM 320 C SER A 23 -5.185 -0.954 -17.564 1.00 0.16 C ATOM 321 O SER A 23 -5.716 -0.345 -16.638 1.00 0.16 O ATOM 322 CB SER A 23 -4.418 0.286 -19.630 1.00 0.25 C ATOM 323 OG SER A 23 -4.643 0.428 -21.023 1.00 1.13 O ATOM 0 H SER A 23 -6.547 1.301 -19.023 1.00 0.22 H new ATOM 0 HA SER A 23 -5.681 -1.408 -19.606 1.00 0.20 H new ATOM 0 HB2 SER A 23 -4.362 1.270 -19.164 1.00 0.25 H new ATOM 0 HB3 SER A 23 -3.458 -0.202 -19.460 1.00 0.25 H new ATOM 0 HG SER A 23 -3.918 0.955 -21.419 1.00 1.13 H new ATOM 329 N PRO A 24 -4.289 -1.940 -17.336 1.00 0.14 N ATOM 330 CA PRO A 24 -4.480 -2.895 -16.233 1.00 0.12 C ATOM 331 C PRO A 24 -4.971 -2.229 -14.958 1.00 0.10 C ATOM 332 O PRO A 24 -4.369 -1.276 -14.459 1.00 0.10 O ATOM 333 CB PRO A 24 -3.071 -3.448 -16.039 1.00 0.14 C ATOM 334 CG PRO A 24 -2.486 -3.429 -17.408 1.00 0.16 C ATOM 335 CD PRO A 24 -3.029 -2.187 -18.064 1.00 0.16 C ATOM 0 HA PRO A 24 -5.237 -3.647 -16.457 1.00 0.12 H new ATOM 0 HB2 PRO A 24 -2.492 -2.834 -15.349 1.00 0.14 H new ATOM 0 HB3 PRO A 24 -3.091 -4.457 -15.627 1.00 0.14 H new ATOM 0 HG2 PRO A 24 -1.397 -3.407 -17.368 1.00 0.16 H new ATOM 0 HG3 PRO A 24 -2.767 -4.322 -17.967 1.00 0.16 H new ATOM 0 HD2 PRO A 24 -2.339 -1.348 -17.970 1.00 0.16 H new ATOM 0 HD3 PRO A 24 -3.203 -2.338 -19.129 1.00 0.16 H new ATOM 343 N ALA A 25 -6.071 -2.796 -14.446 1.00 0.10 N ATOM 344 CA ALA A 25 -6.888 -2.176 -13.410 1.00 0.07 C ATOM 345 C ALA A 25 -6.064 -1.592 -12.289 1.00 0.06 C ATOM 346 O ALA A 25 -5.086 -2.185 -11.824 1.00 0.07 O ATOM 347 CB ALA A 25 -7.917 -3.158 -12.877 1.00 0.08 C ATOM 0 H ALA A 25 -6.417 -3.707 -14.746 1.00 0.10 H new ATOM 0 HA ALA A 25 -7.411 -1.341 -13.877 1.00 0.07 H new ATOM 0 HB1 ALA A 25 -8.516 -2.674 -12.105 1.00 0.08 H new ATOM 0 HB2 ALA A 25 -8.566 -3.482 -13.690 1.00 0.08 H new ATOM 0 HB3 ALA A 25 -7.408 -4.024 -12.453 1.00 0.08 H new ATOM 353 N GLU A 26 -6.487 -0.417 -11.872 1.00 0.07 N ATOM 354 CA GLU A 26 -5.727 0.404 -10.973 1.00 0.07 C ATOM 355 C GLU A 26 -6.533 0.772 -9.730 1.00 0.07 C ATOM 356 O GLU A 26 -7.731 0.527 -9.649 1.00 0.08 O ATOM 357 CB GLU A 26 -5.304 1.674 -11.694 1.00 0.09 C ATOM 358 CG GLU A 26 -5.472 1.631 -13.207 1.00 0.11 C ATOM 359 CD GLU A 26 -5.153 2.954 -13.869 1.00 0.18 C ATOM 360 OE1 GLU A 26 -5.850 3.949 -13.588 1.00 0.29 O ATOM 361 OE2 GLU A 26 -4.204 3.010 -14.680 1.00 0.32 O ATOM 0 H GLU A 26 -7.377 -0.007 -12.154 1.00 0.07 H new ATOM 0 HA GLU A 26 -4.853 -0.162 -10.652 1.00 0.07 H new ATOM 0 HB2 GLU A 26 -5.884 2.509 -11.301 1.00 0.09 H new ATOM 0 HB3 GLU A 26 -4.258 1.876 -11.464 1.00 0.09 H new ATOM 0 HG2 GLU A 26 -4.823 0.858 -13.618 1.00 0.11 H new ATOM 0 HG3 GLU A 26 -6.497 1.348 -13.447 1.00 0.11 H new ATOM 368 N LEU A 27 -5.842 1.335 -8.761 1.00 0.07 N ATOM 369 CA LEU A 27 -6.442 1.880 -7.562 1.00 0.07 C ATOM 370 C LEU A 27 -6.142 3.366 -7.529 1.00 0.07 C ATOM 371 O LEU A 27 -5.000 3.767 -7.328 1.00 0.07 O ATOM 372 CB LEU A 27 -5.853 1.182 -6.327 1.00 0.07 C ATOM 373 CG LEU A 27 -6.406 1.588 -4.948 1.00 0.08 C ATOM 374 CD1 LEU A 27 -5.738 2.858 -4.452 1.00 0.08 C ATOM 375 CD2 LEU A 27 -7.915 1.773 -4.983 1.00 0.09 C ATOM 0 H LEU A 27 -4.827 1.428 -8.786 1.00 0.07 H new ATOM 0 HA LEU A 27 -7.520 1.719 -7.559 1.00 0.07 H new ATOM 0 HB2 LEU A 27 -6.000 0.109 -6.445 1.00 0.07 H new ATOM 0 HB3 LEU A 27 -4.777 1.358 -6.323 1.00 0.07 H new ATOM 0 HG LEU A 27 -6.180 0.776 -4.257 1.00 0.08 H new ATOM 0 HD11 LEU A 27 -6.144 3.126 -3.477 1.00 0.08 H new ATOM 0 HD12 LEU A 27 -4.664 2.694 -4.365 1.00 0.08 H new ATOM 0 HD13 LEU A 27 -5.926 3.667 -5.158 1.00 0.08 H new ATOM 0 HD21 LEU A 27 -8.270 2.059 -3.993 1.00 0.09 H new ATOM 0 HD22 LEU A 27 -8.169 2.554 -5.699 1.00 0.09 H new ATOM 0 HD23 LEU A 27 -8.389 0.838 -5.282 1.00 0.09 H new ATOM 387 N THR A 28 -7.146 4.177 -7.747 1.00 0.07 N ATOM 388 CA THR A 28 -6.945 5.603 -7.818 1.00 0.07 C ATOM 389 C THR A 28 -7.424 6.288 -6.551 1.00 0.06 C ATOM 390 O THR A 28 -8.624 6.375 -6.292 1.00 0.07 O ATOM 391 CB THR A 28 -7.681 6.201 -9.025 1.00 0.10 C ATOM 392 OG1 THR A 28 -7.415 5.403 -10.187 1.00 0.17 O ATOM 393 CG2 THR A 28 -7.226 7.629 -9.266 1.00 0.10 C ATOM 0 H THR A 28 -8.111 3.875 -7.878 1.00 0.07 H new ATOM 0 HA THR A 28 -5.874 5.773 -7.930 1.00 0.07 H new ATOM 0 HB THR A 28 -8.752 6.207 -8.822 1.00 0.10 H new ATOM 0 HG1 THR A 28 -7.885 5.782 -10.959 1.00 0.17 H new ATOM 0 HG21 THR A 28 -7.757 8.040 -10.125 1.00 0.10 H new ATOM 0 HG22 THR A 28 -7.440 8.233 -8.384 1.00 0.10 H new ATOM 0 HG23 THR A 28 -6.154 7.641 -9.462 1.00 0.10 H new ATOM 401 N TRP A 29 -6.485 6.757 -5.754 1.00 0.06 N ATOM 402 CA TRP A 29 -6.822 7.563 -4.605 1.00 0.06 C ATOM 403 C TRP A 29 -6.934 9.010 -5.028 1.00 0.06 C ATOM 404 O TRP A 29 -6.054 9.534 -5.708 1.00 0.07 O ATOM 405 CB TRP A 29 -5.777 7.443 -3.492 1.00 0.07 C ATOM 406 CG TRP A 29 -6.072 8.367 -2.346 1.00 0.07 C ATOM 407 CD1 TRP A 29 -6.912 8.131 -1.296 1.00 0.08 C ATOM 408 CD2 TRP A 29 -5.548 9.688 -2.149 1.00 0.09 C ATOM 409 NE1 TRP A 29 -6.946 9.223 -0.465 1.00 0.09 N ATOM 410 CE2 TRP A 29 -6.115 10.189 -0.963 1.00 0.09 C ATOM 411 CE3 TRP A 29 -4.652 10.495 -2.860 1.00 0.11 C ATOM 412 CZ2 TRP A 29 -5.820 11.457 -0.476 1.00 0.12 C ATOM 413 CZ3 TRP A 29 -4.361 11.755 -2.372 1.00 0.14 C ATOM 414 CH2 TRP A 29 -4.943 12.224 -1.188 1.00 0.14 C ATOM 0 H TRP A 29 -5.487 6.593 -5.883 1.00 0.06 H new ATOM 0 HA TRP A 29 -7.772 7.201 -4.211 1.00 0.06 H new ATOM 0 HB2 TRP A 29 -5.747 6.415 -3.131 1.00 0.07 H new ATOM 0 HB3 TRP A 29 -4.790 7.668 -3.895 1.00 0.07 H new ATOM 0 HD1 TRP A 29 -7.469 7.218 -1.142 1.00 0.08 H new ATOM 0 HE1 TRP A 29 -7.502 9.302 0.387 1.00 0.09 H new ATOM 0 HE3 TRP A 29 -4.197 10.140 -3.773 1.00 0.11 H new ATOM 0 HZ2 TRP A 29 -6.269 11.823 0.435 1.00 0.12 H new ATOM 0 HZ3 TRP A 29 -3.673 12.388 -2.913 1.00 0.14 H new ATOM 0 HH2 TRP A 29 -4.693 13.212 -0.831 1.00 0.14 H new ATOM 425 N ARG A 30 -8.016 9.643 -4.645 1.00 0.07 N ATOM 426 CA ARG A 30 -8.171 11.062 -4.850 1.00 0.07 C ATOM 427 C ARG A 30 -8.435 11.728 -3.515 1.00 0.08 C ATOM 428 O ARG A 30 -8.878 11.076 -2.576 1.00 0.11 O ATOM 429 CB ARG A 30 -9.312 11.346 -5.813 1.00 0.12 C ATOM 430 CG ARG A 30 -9.070 10.840 -7.221 1.00 0.18 C ATOM 431 CD ARG A 30 -10.307 11.026 -8.063 1.00 0.27 C ATOM 432 NE ARG A 30 -10.062 10.838 -9.490 1.00 0.91 N ATOM 433 CZ ARG A 30 -10.824 11.375 -10.444 1.00 1.32 C ATOM 434 NH1 ARG A 30 -11.874 12.122 -10.117 1.00 1.36 N ATOM 435 NH2 ARG A 30 -10.539 11.170 -11.722 1.00 1.91 N ATOM 0 H ARG A 30 -8.808 9.193 -4.186 1.00 0.07 H new ATOM 0 HA ARG A 30 -7.256 11.462 -5.286 1.00 0.07 H new ATOM 0 HB2 ARG A 30 -10.223 10.890 -5.426 1.00 0.12 H new ATOM 0 HB3 ARG A 30 -9.484 12.422 -5.849 1.00 0.12 H new ATOM 0 HG2 ARG A 30 -8.233 11.376 -7.669 1.00 0.18 H new ATOM 0 HG3 ARG A 30 -8.795 9.786 -7.194 1.00 0.18 H new ATOM 0 HD2 ARG A 30 -11.071 10.321 -7.736 1.00 0.27 H new ATOM 0 HD3 ARG A 30 -10.705 12.027 -7.898 1.00 0.27 H new ATOM 0 HE ARG A 30 -9.266 10.266 -9.772 1.00 0.91 H new ATOM 0 HH11 ARG A 30 -12.098 12.285 -9.135 1.00 1.36 H new ATOM 0 HH12 ARG A 30 -12.456 12.532 -10.848 1.00 1.36 H new ATOM 0 HH21 ARG A 30 -9.734 10.599 -11.980 1.00 1.91 H new ATOM 0 HH22 ARG A 30 -11.125 11.583 -12.448 1.00 1.91 H new ATOM 449 N SER A 31 -8.152 13.011 -3.420 1.00 0.09 N ATOM 450 CA SER A 31 -8.411 13.746 -2.194 1.00 0.10 C ATOM 451 C SER A 31 -9.920 13.909 -2.006 1.00 0.10 C ATOM 452 O SER A 31 -10.698 13.455 -2.851 1.00 0.11 O ATOM 453 CB SER A 31 -7.702 15.102 -2.245 1.00 0.12 C ATOM 454 OG SER A 31 -8.560 16.145 -2.672 1.00 0.60 O ATOM 0 H SER A 31 -7.744 13.566 -4.172 1.00 0.09 H new ATOM 0 HA SER A 31 -8.020 13.195 -1.339 1.00 0.10 H new ATOM 0 HB2 SER A 31 -7.309 15.341 -1.257 1.00 0.12 H new ATOM 0 HB3 SER A 31 -6.849 15.038 -2.921 1.00 0.12 H new ATOM 0 HG SER A 31 -8.065 16.990 -2.687 1.00 0.60 H new ATOM 460 N THR A 32 -10.352 14.522 -0.914 1.00 0.10 N ATOM 461 CA THR A 32 -11.779 14.742 -0.721 1.00 0.12 C ATOM 462 C THR A 32 -12.333 15.647 -1.823 1.00 0.17 C ATOM 463 O THR A 32 -13.438 15.428 -2.327 1.00 0.26 O ATOM 464 CB THR A 32 -12.091 15.324 0.670 1.00 0.13 C ATOM 465 OG1 THR A 32 -11.184 16.389 0.972 1.00 0.18 O ATOM 466 CG2 THR A 32 -11.996 14.243 1.738 1.00 0.15 C ATOM 0 H THR A 32 -9.753 14.869 -0.165 1.00 0.10 H new ATOM 0 HA THR A 32 -12.271 13.771 -0.781 1.00 0.12 H new ATOM 0 HB THR A 32 -13.109 15.713 0.660 1.00 0.13 H new ATOM 0 HG1 THR A 32 -11.391 16.754 1.858 1.00 0.18 H new ATOM 0 HG21 THR A 32 -12.220 14.675 2.714 1.00 0.15 H new ATOM 0 HG22 THR A 32 -12.712 13.451 1.519 1.00 0.15 H new ATOM 0 HG23 THR A 32 -10.988 13.828 1.747 1.00 0.15 H new ATOM 474 N ASP A 33 -11.542 16.646 -2.215 1.00 0.18 N ATOM 475 CA ASP A 33 -11.867 17.464 -3.381 1.00 0.25 C ATOM 476 C ASP A 33 -11.492 16.699 -4.642 1.00 0.21 C ATOM 477 O ASP A 33 -12.151 16.791 -5.676 1.00 0.30 O ATOM 478 CB ASP A 33 -11.105 18.797 -3.351 1.00 0.33 C ATOM 479 CG ASP A 33 -11.516 19.700 -2.205 1.00 1.32 C ATOM 480 OD1 ASP A 33 -11.005 19.519 -1.079 1.00 2.12 O ATOM 481 OD2 ASP A 33 -12.343 20.607 -2.425 1.00 1.81 O ATOM 0 H ASP A 33 -10.676 16.907 -1.744 1.00 0.18 H new ATOM 0 HA ASP A 33 -12.935 17.679 -3.369 1.00 0.25 H new ATOM 0 HB2 ASP A 33 -10.036 18.595 -3.279 1.00 0.33 H new ATOM 0 HB3 ASP A 33 -11.267 19.321 -4.293 1.00 0.33 H new ATOM 486 N GLY A 34 -10.433 15.915 -4.513 1.00 0.16 N ATOM 487 CA GLY A 34 -9.954 15.078 -5.590 1.00 0.16 C ATOM 488 C GLY A 34 -8.907 15.762 -6.436 1.00 0.17 C ATOM 489 O GLY A 34 -8.539 15.265 -7.498 1.00 0.23 O ATOM 0 H GLY A 34 -9.884 15.845 -3.656 1.00 0.16 H new ATOM 0 HA2 GLY A 34 -9.537 14.161 -5.174 1.00 0.16 H new ATOM 0 HA3 GLY A 34 -10.794 14.789 -6.222 1.00 0.16 H new ATOM 493 N ASP A 35 -8.425 16.905 -5.965 1.00 0.18 N ATOM 494 CA ASP A 35 -7.340 17.606 -6.639 1.00 0.25 C ATOM 495 C ASP A 35 -6.074 16.765 -6.578 1.00 0.23 C ATOM 496 O ASP A 35 -5.402 16.552 -7.588 1.00 0.35 O ATOM 497 CB ASP A 35 -7.094 18.974 -6.003 1.00 0.32 C ATOM 498 CG ASP A 35 -5.908 19.691 -6.617 1.00 0.95 C ATOM 499 OD1 ASP A 35 -6.069 20.303 -7.692 1.00 1.73 O ATOM 500 OD2 ASP A 35 -4.807 19.641 -6.029 1.00 0.87 O ATOM 0 H ASP A 35 -8.767 17.365 -5.121 1.00 0.18 H new ATOM 0 HA ASP A 35 -7.622 17.764 -7.680 1.00 0.25 H new ATOM 0 HB2 ASP A 35 -7.986 19.590 -6.116 1.00 0.32 H new ATOM 0 HB3 ASP A 35 -6.926 18.850 -4.933 1.00 0.32 H new ATOM 505 N LYS A 36 -5.759 16.286 -5.382 1.00 0.16 N ATOM 506 CA LYS A 36 -4.670 15.342 -5.208 1.00 0.14 C ATOM 507 C LYS A 36 -5.138 13.966 -5.653 1.00 0.12 C ATOM 508 O LYS A 36 -6.242 13.543 -5.307 1.00 0.12 O ATOM 509 CB LYS A 36 -4.233 15.286 -3.745 1.00 0.14 C ATOM 510 CG LYS A 36 -2.752 15.059 -3.553 1.00 0.21 C ATOM 511 CD LYS A 36 -2.417 15.068 -2.080 1.00 0.27 C ATOM 512 CE LYS A 36 -0.988 15.516 -1.832 1.00 0.71 C ATOM 513 NZ LYS A 36 -0.002 14.712 -2.601 1.00 1.30 N ATOM 0 H LYS A 36 -6.243 16.537 -4.520 1.00 0.16 H new ATOM 0 HA LYS A 36 -3.819 15.663 -5.809 1.00 0.14 H new ATOM 0 HB2 LYS A 36 -4.513 16.220 -3.257 1.00 0.14 H new ATOM 0 HB3 LYS A 36 -4.780 14.488 -3.244 1.00 0.14 H new ATOM 0 HG2 LYS A 36 -2.461 14.106 -3.995 1.00 0.21 H new ATOM 0 HG3 LYS A 36 -2.186 15.835 -4.068 1.00 0.21 H new ATOM 0 HD2 LYS A 36 -3.103 15.733 -1.555 1.00 0.27 H new ATOM 0 HD3 LYS A 36 -2.562 14.069 -1.668 1.00 0.27 H new ATOM 0 HE2 LYS A 36 -0.887 16.567 -2.103 1.00 0.71 H new ATOM 0 HE3 LYS A 36 -0.765 15.439 -0.768 1.00 0.71 H new ATOM 0 HZ1 LYS A 36 0.947 14.847 -2.197 1.00 1.30 H new ATOM 0 HZ2 LYS A 36 -0.260 13.706 -2.550 1.00 1.30 H new ATOM 0 HZ3 LYS A 36 -0.002 15.020 -3.594 1.00 1.30 H new ATOM 527 N VAL A 37 -4.318 13.281 -6.422 1.00 0.12 N ATOM 528 CA VAL A 37 -4.691 11.979 -6.948 1.00 0.12 C ATOM 529 C VAL A 37 -3.454 11.092 -7.126 1.00 0.12 C ATOM 530 O VAL A 37 -2.407 11.557 -7.581 1.00 0.15 O ATOM 531 CB VAL A 37 -5.455 12.129 -8.287 1.00 0.13 C ATOM 532 CG1 VAL A 37 -4.568 12.719 -9.375 1.00 0.17 C ATOM 533 CG2 VAL A 37 -6.041 10.801 -8.729 1.00 0.14 C ATOM 0 H VAL A 37 -3.390 13.601 -6.698 1.00 0.12 H new ATOM 0 HA VAL A 37 -5.354 11.498 -6.229 1.00 0.12 H new ATOM 0 HB VAL A 37 -6.276 12.825 -8.119 1.00 0.13 H new ATOM 0 HG11 VAL A 37 -5.138 12.809 -10.300 1.00 0.17 H new ATOM 0 HG12 VAL A 37 -4.219 13.704 -9.066 1.00 0.17 H new ATOM 0 HG13 VAL A 37 -3.711 12.066 -9.539 1.00 0.17 H new ATOM 0 HG21 VAL A 37 -6.572 10.933 -9.671 1.00 0.14 H new ATOM 0 HG22 VAL A 37 -5.238 10.076 -8.864 1.00 0.14 H new ATOM 0 HG23 VAL A 37 -6.734 10.438 -7.970 1.00 0.14 H new ATOM 543 N HIS A 38 -3.561 9.830 -6.730 1.00 0.10 N ATOM 544 CA HIS A 38 -2.461 8.886 -6.887 1.00 0.11 C ATOM 545 C HIS A 38 -2.999 7.494 -7.210 1.00 0.09 C ATOM 546 O HIS A 38 -3.914 7.007 -6.550 1.00 0.11 O ATOM 547 CB HIS A 38 -1.603 8.850 -5.622 1.00 0.17 C ATOM 548 CG HIS A 38 -0.264 8.213 -5.829 1.00 0.22 C ATOM 549 ND1 HIS A 38 0.870 8.934 -6.132 1.00 0.39 N ATOM 550 CD2 HIS A 38 0.119 6.917 -5.780 1.00 0.21 C ATOM 551 CE1 HIS A 38 1.891 8.109 -6.262 1.00 0.41 C ATOM 552 NE2 HIS A 38 1.461 6.882 -6.052 1.00 0.28 N ATOM 0 H HIS A 38 -4.397 9.436 -6.298 1.00 0.10 H new ATOM 0 HA HIS A 38 -1.835 9.216 -7.716 1.00 0.11 H new ATOM 0 HB2 HIS A 38 -1.461 9.868 -5.260 1.00 0.17 H new ATOM 0 HB3 HIS A 38 -2.139 8.307 -4.844 1.00 0.17 H new ATOM 0 HD2 HIS A 38 -0.514 6.069 -5.566 1.00 0.21 H new ATOM 0 HE1 HIS A 38 2.906 8.391 -6.500 1.00 0.41 H new ATOM 0 HE2 HIS A 38 2.036 6.040 -6.086 1.00 0.28 H new ATOM 561 N THR A 39 -2.419 6.852 -8.213 1.00 0.09 N ATOM 562 CA THR A 39 -2.941 5.587 -8.707 1.00 0.09 C ATOM 563 C THR A 39 -1.953 4.427 -8.512 1.00 0.09 C ATOM 564 O THR A 39 -0.764 4.558 -8.804 1.00 0.15 O ATOM 565 CB THR A 39 -3.277 5.706 -10.203 1.00 0.10 C ATOM 566 OG1 THR A 39 -4.154 6.820 -10.415 1.00 0.14 O ATOM 567 CG2 THR A 39 -3.933 4.437 -10.716 1.00 0.12 C ATOM 0 H THR A 39 -1.587 7.186 -8.700 1.00 0.09 H new ATOM 0 HA THR A 39 -3.838 5.368 -8.128 1.00 0.09 H new ATOM 0 HB THR A 39 -2.348 5.860 -10.751 1.00 0.10 H new ATOM 0 HG1 THR A 39 -4.364 6.894 -11.369 1.00 0.14 H new ATOM 0 HG21 THR A 39 -4.160 4.548 -11.776 1.00 0.12 H new ATOM 0 HG22 THR A 39 -3.255 3.595 -10.576 1.00 0.12 H new ATOM 0 HG23 THR A 39 -4.855 4.256 -10.164 1.00 0.12 H new ATOM 575 N VAL A 40 -2.455 3.301 -8.002 1.00 0.08 N ATOM 576 CA VAL A 40 -1.687 2.056 -7.980 1.00 0.07 C ATOM 577 C VAL A 40 -2.196 1.154 -9.110 1.00 0.07 C ATOM 578 O VAL A 40 -3.392 0.990 -9.269 1.00 0.08 O ATOM 579 CB VAL A 40 -1.786 1.294 -6.607 1.00 0.07 C ATOM 580 CG1 VAL A 40 -2.236 2.197 -5.472 1.00 0.12 C ATOM 581 CG2 VAL A 40 -2.672 0.063 -6.681 1.00 0.07 C ATOM 0 H VAL A 40 -3.389 3.226 -7.599 1.00 0.08 H new ATOM 0 HA VAL A 40 -0.636 2.309 -8.118 1.00 0.07 H new ATOM 0 HB VAL A 40 -0.771 0.961 -6.391 1.00 0.07 H new ATOM 0 HG11 VAL A 40 -2.288 1.621 -4.548 1.00 0.12 H new ATOM 0 HG12 VAL A 40 -1.523 3.013 -5.352 1.00 0.12 H new ATOM 0 HG13 VAL A 40 -3.220 2.606 -5.700 1.00 0.12 H new ATOM 0 HG21 VAL A 40 -2.703 -0.422 -5.705 1.00 0.07 H new ATOM 0 HG22 VAL A 40 -3.680 0.357 -6.972 1.00 0.07 H new ATOM 0 HG23 VAL A 40 -2.270 -0.631 -7.419 1.00 0.07 H new ATOM 591 N VAL A 41 -1.319 0.622 -9.935 1.00 0.07 N ATOM 592 CA VAL A 41 -1.742 -0.350 -10.932 1.00 0.07 C ATOM 593 C VAL A 41 -1.588 -1.749 -10.350 1.00 0.07 C ATOM 594 O VAL A 41 -0.480 -2.153 -9.995 1.00 0.07 O ATOM 595 CB VAL A 41 -0.929 -0.227 -12.238 1.00 0.09 C ATOM 596 CG1 VAL A 41 -1.321 -1.313 -13.231 1.00 0.11 C ATOM 597 CG2 VAL A 41 -1.133 1.149 -12.848 1.00 0.10 C ATOM 0 H VAL A 41 -0.322 0.839 -9.940 1.00 0.07 H new ATOM 0 HA VAL A 41 -2.785 -0.156 -11.183 1.00 0.07 H new ATOM 0 HB VAL A 41 0.127 -0.357 -12.000 1.00 0.09 H new ATOM 0 HG11 VAL A 41 -0.733 -1.203 -14.142 1.00 0.11 H new ATOM 0 HG12 VAL A 41 -1.131 -2.293 -12.793 1.00 0.11 H new ATOM 0 HG13 VAL A 41 -2.381 -1.222 -13.470 1.00 0.11 H new ATOM 0 HG21 VAL A 41 -0.556 1.228 -13.769 1.00 0.10 H new ATOM 0 HG22 VAL A 41 -2.190 1.296 -13.068 1.00 0.10 H new ATOM 0 HG23 VAL A 41 -0.799 1.912 -12.145 1.00 0.10 H new ATOM 607 N LEU A 42 -2.684 -2.492 -10.253 1.00 0.07 N ATOM 608 CA LEU A 42 -2.675 -3.762 -9.522 1.00 0.06 C ATOM 609 C LEU A 42 -1.816 -4.825 -10.189 1.00 0.07 C ATOM 610 O LEU A 42 -1.433 -5.799 -9.547 1.00 0.08 O ATOM 611 CB LEU A 42 -4.090 -4.314 -9.307 1.00 0.06 C ATOM 612 CG LEU A 42 -4.950 -3.586 -8.265 1.00 0.06 C ATOM 613 CD1 LEU A 42 -4.134 -3.256 -7.032 1.00 0.06 C ATOM 614 CD2 LEU A 42 -5.563 -2.323 -8.834 1.00 0.06 C ATOM 0 H LEU A 42 -3.584 -2.244 -10.665 1.00 0.07 H new ATOM 0 HA LEU A 42 -2.233 -3.529 -8.553 1.00 0.06 H new ATOM 0 HB2 LEU A 42 -4.616 -4.291 -10.262 1.00 0.06 H new ATOM 0 HB3 LEU A 42 -4.009 -5.361 -9.013 1.00 0.06 H new ATOM 0 HG LEU A 42 -5.760 -4.259 -7.984 1.00 0.06 H new ATOM 0 HD11 LEU A 42 -4.763 -2.740 -6.307 1.00 0.06 H new ATOM 0 HD12 LEU A 42 -3.752 -4.177 -6.591 1.00 0.06 H new ATOM 0 HD13 LEU A 42 -3.299 -2.613 -7.310 1.00 0.06 H new ATOM 0 HD21 LEU A 42 -6.165 -1.834 -8.068 1.00 0.06 H new ATOM 0 HD22 LEU A 42 -4.771 -1.648 -9.159 1.00 0.06 H new ATOM 0 HD23 LEU A 42 -6.195 -2.577 -9.685 1.00 0.06 H new ATOM 626 N SER A 43 -1.498 -4.651 -11.462 1.00 0.09 N ATOM 627 CA SER A 43 -0.607 -5.589 -12.129 1.00 0.11 C ATOM 628 C SER A 43 0.808 -5.417 -11.596 1.00 0.11 C ATOM 629 O SER A 43 1.664 -6.288 -11.762 1.00 0.15 O ATOM 630 CB SER A 43 -0.653 -5.406 -13.653 1.00 0.13 C ATOM 631 OG SER A 43 0.239 -6.292 -14.311 1.00 0.87 O ATOM 0 H SER A 43 -1.835 -3.885 -12.045 1.00 0.09 H new ATOM 0 HA SER A 43 -0.940 -6.605 -11.916 1.00 0.11 H new ATOM 0 HB2 SER A 43 -1.668 -5.578 -14.011 1.00 0.13 H new ATOM 0 HB3 SER A 43 -0.397 -4.377 -13.905 1.00 0.13 H new ATOM 0 HG SER A 43 0.185 -6.151 -15.279 1.00 0.87 H new ATOM 637 N THR A 44 1.028 -4.305 -10.908 1.00 0.09 N ATOM 638 CA THR A 44 2.331 -3.988 -10.368 1.00 0.10 C ATOM 639 C THR A 44 2.311 -4.115 -8.852 1.00 0.10 C ATOM 640 O THR A 44 3.250 -3.710 -8.169 1.00 0.14 O ATOM 641 CB THR A 44 2.759 -2.561 -10.754 1.00 0.13 C ATOM 642 OG1 THR A 44 2.168 -1.604 -9.862 1.00 0.13 O ATOM 643 CG2 THR A 44 2.321 -2.239 -12.170 1.00 0.15 C ATOM 0 H THR A 44 0.311 -3.606 -10.713 1.00 0.09 H new ATOM 0 HA THR A 44 3.049 -4.693 -10.788 1.00 0.10 H new ATOM 0 HB THR A 44 3.846 -2.507 -10.686 1.00 0.13 H new ATOM 0 HG1 THR A 44 1.191 -1.664 -9.919 1.00 0.13 H new ATOM 0 HG21 THR A 44 2.632 -1.226 -12.426 1.00 0.15 H new ATOM 0 HG22 THR A 44 2.780 -2.945 -12.862 1.00 0.15 H new ATOM 0 HG23 THR A 44 1.236 -2.314 -12.241 1.00 0.15 H new ATOM 651 N ILE A 45 1.227 -4.671 -8.334 1.00 0.08 N ATOM 652 CA ILE A 45 1.081 -4.864 -6.904 1.00 0.07 C ATOM 653 C ILE A 45 1.153 -6.348 -6.587 1.00 0.09 C ATOM 654 O ILE A 45 0.607 -7.173 -7.317 1.00 0.12 O ATOM 655 CB ILE A 45 -0.251 -4.279 -6.386 1.00 0.08 C ATOM 656 CG1 ILE A 45 -0.405 -2.822 -6.837 1.00 0.09 C ATOM 657 CG2 ILE A 45 -0.317 -4.370 -4.872 1.00 0.08 C ATOM 658 CD1 ILE A 45 0.621 -1.876 -6.245 1.00 0.10 C ATOM 0 H ILE A 45 0.434 -4.997 -8.887 1.00 0.08 H new ATOM 0 HA ILE A 45 1.892 -4.336 -6.402 1.00 0.07 H new ATOM 0 HB ILE A 45 -1.071 -4.863 -6.805 1.00 0.08 H new ATOM 0 HG12 ILE A 45 -0.336 -2.781 -7.924 1.00 0.09 H new ATOM 0 HG13 ILE A 45 -1.402 -2.474 -6.567 1.00 0.09 H new ATOM 0 HG21 ILE A 45 -1.262 -3.953 -4.523 1.00 0.08 H new ATOM 0 HG22 ILE A 45 -0.246 -5.414 -4.567 1.00 0.08 H new ATOM 0 HG23 ILE A 45 0.510 -3.808 -4.437 1.00 0.08 H new ATOM 0 HD11 ILE A 45 0.441 -0.867 -6.615 1.00 0.10 H new ATOM 0 HD12 ILE A 45 0.539 -1.884 -5.158 1.00 0.10 H new ATOM 0 HD13 ILE A 45 1.622 -2.196 -6.536 1.00 0.10 H new ATOM 670 N ASP A 46 1.859 -6.686 -5.523 1.00 0.12 N ATOM 671 CA ASP A 46 2.075 -8.079 -5.168 1.00 0.17 C ATOM 672 C ASP A 46 1.179 -8.480 -4.009 1.00 0.18 C ATOM 673 O ASP A 46 0.631 -9.583 -3.986 1.00 0.24 O ATOM 674 CB ASP A 46 3.540 -8.309 -4.789 1.00 0.22 C ATOM 675 CG ASP A 46 3.899 -9.781 -4.746 1.00 0.33 C ATOM 676 OD1 ASP A 46 3.721 -10.468 -5.775 1.00 0.52 O ATOM 677 OD2 ASP A 46 4.358 -10.264 -3.685 1.00 0.39 O ATOM 0 H ASP A 46 2.293 -6.015 -4.889 1.00 0.12 H new ATOM 0 HA ASP A 46 1.828 -8.693 -6.034 1.00 0.17 H new ATOM 0 HB2 ASP A 46 4.183 -7.801 -5.508 1.00 0.22 H new ATOM 0 HB3 ASP A 46 3.736 -7.861 -3.815 1.00 0.22 H new ATOM 682 N LYS A 47 1.038 -7.581 -3.045 1.00 0.15 N ATOM 683 CA LYS A 47 0.239 -7.851 -1.864 1.00 0.18 C ATOM 684 C LYS A 47 -0.571 -6.651 -1.445 1.00 0.13 C ATOM 685 O LYS A 47 -0.431 -5.562 -1.993 1.00 0.12 O ATOM 686 CB LYS A 47 1.123 -8.221 -0.692 1.00 0.26 C ATOM 687 CG LYS A 47 1.952 -9.448 -0.923 1.00 0.29 C ATOM 688 CD LYS A 47 3.026 -9.588 0.126 1.00 0.72 C ATOM 689 CE LYS A 47 2.406 -9.537 1.501 1.00 0.52 C ATOM 690 NZ LYS A 47 1.529 -10.710 1.772 1.00 1.41 N ATOM 0 H LYS A 47 1.469 -6.657 -3.060 1.00 0.15 H new ATOM 0 HA LYS A 47 -0.426 -8.673 -2.129 1.00 0.18 H new ATOM 0 HB2 LYS A 47 1.784 -7.384 -0.469 1.00 0.26 H new ATOM 0 HB3 LYS A 47 0.498 -8.376 0.188 1.00 0.26 H new ATOM 0 HG2 LYS A 47 1.312 -10.330 -0.911 1.00 0.29 H new ATOM 0 HG3 LYS A 47 2.410 -9.400 -1.911 1.00 0.29 H new ATOM 0 HD2 LYS A 47 3.558 -10.530 -0.008 1.00 0.72 H new ATOM 0 HD3 LYS A 47 3.760 -8.789 0.018 1.00 0.72 H new ATOM 0 HE2 LYS A 47 3.196 -9.496 2.251 1.00 0.52 H new ATOM 0 HE3 LYS A 47 1.824 -8.621 1.600 1.00 0.52 H new ATOM 0 HZ1 LYS A 47 1.195 -10.673 2.756 1.00 1.41 H new ATOM 0 HZ2 LYS A 47 0.713 -10.689 1.128 1.00 1.41 H new ATOM 0 HZ3 LYS A 47 2.067 -11.587 1.622 1.00 1.41 H new ATOM 704 N LEU A 48 -1.405 -6.868 -0.444 1.00 0.14 N ATOM 705 CA LEU A 48 -2.217 -5.810 0.135 1.00 0.11 C ATOM 706 C LEU A 48 -2.519 -6.164 1.597 1.00 0.11 C ATOM 707 O LEU A 48 -2.815 -7.318 1.904 1.00 0.20 O ATOM 708 CB LEU A 48 -3.517 -5.613 -0.656 1.00 0.15 C ATOM 709 CG LEU A 48 -3.448 -5.998 -2.134 1.00 0.25 C ATOM 710 CD1 LEU A 48 -3.861 -7.439 -2.327 1.00 0.73 C ATOM 711 CD2 LEU A 48 -4.316 -5.095 -2.964 1.00 0.63 C ATOM 0 H LEU A 48 -1.539 -7.781 -0.009 1.00 0.14 H new ATOM 0 HA LEU A 48 -1.667 -4.870 0.091 1.00 0.11 H new ATOM 0 HB2 LEU A 48 -4.304 -6.199 -0.181 1.00 0.15 H new ATOM 0 HB3 LEU A 48 -3.812 -4.566 -0.584 1.00 0.15 H new ATOM 0 HG LEU A 48 -2.416 -5.882 -2.464 1.00 0.25 H new ATOM 0 HD11 LEU A 48 -3.806 -7.695 -3.385 1.00 0.73 H new ATOM 0 HD12 LEU A 48 -3.192 -8.088 -1.761 1.00 0.73 H new ATOM 0 HD13 LEU A 48 -4.883 -7.575 -1.974 1.00 0.73 H new ATOM 0 HD21 LEU A 48 -4.250 -5.389 -4.012 1.00 0.63 H new ATOM 0 HD22 LEU A 48 -5.350 -5.176 -2.629 1.00 0.63 H new ATOM 0 HD23 LEU A 48 -3.978 -4.064 -2.854 1.00 0.63 H new ATOM 723 N GLN A 49 -2.435 -5.187 2.494 1.00 0.16 N ATOM 724 CA GLN A 49 -2.557 -5.447 3.931 1.00 0.21 C ATOM 725 C GLN A 49 -3.492 -4.439 4.604 1.00 0.29 C ATOM 726 O GLN A 49 -3.208 -3.251 4.610 1.00 0.59 O ATOM 727 CB GLN A 49 -1.167 -5.390 4.580 1.00 0.31 C ATOM 728 CG GLN A 49 -0.191 -6.423 4.031 1.00 0.40 C ATOM 729 CD GLN A 49 -0.488 -7.834 4.507 1.00 1.07 C ATOM 730 OE1 GLN A 49 -1.644 -8.203 4.731 1.00 1.94 O ATOM 731 NE2 GLN A 49 0.555 -8.631 4.681 1.00 1.59 N ATOM 0 H GLN A 49 -2.283 -4.207 2.255 1.00 0.16 H new ATOM 0 HA GLN A 49 -2.987 -6.440 4.065 1.00 0.21 H new ATOM 0 HB2 GLN A 49 -0.748 -4.394 4.434 1.00 0.31 H new ATOM 0 HB3 GLN A 49 -1.271 -5.537 5.655 1.00 0.31 H new ATOM 0 HG2 GLN A 49 -0.221 -6.399 2.942 1.00 0.40 H new ATOM 0 HG3 GLN A 49 0.822 -6.151 4.328 1.00 0.40 H new ATOM 0 HE21 GLN A 49 1.496 -8.290 4.485 1.00 1.59 H new ATOM 0 HE22 GLN A 49 0.417 -9.586 5.011 1.00 1.59 H new ATOM 740 N ALA A 50 -4.592 -4.905 5.189 1.00 0.15 N ATOM 741 CA ALA A 50 -5.565 -3.999 5.812 1.00 0.17 C ATOM 742 C ALA A 50 -5.690 -4.251 7.317 1.00 0.18 C ATOM 743 O ALA A 50 -5.600 -5.391 7.775 1.00 0.22 O ATOM 744 CB ALA A 50 -6.918 -4.132 5.136 1.00 0.17 C ATOM 0 H ALA A 50 -4.835 -5.894 5.247 1.00 0.15 H new ATOM 0 HA ALA A 50 -5.202 -2.980 5.679 1.00 0.17 H new ATOM 0 HB1 ALA A 50 -7.629 -3.454 5.609 1.00 0.17 H new ATOM 0 HB2 ALA A 50 -6.823 -3.880 4.080 1.00 0.17 H new ATOM 0 HB3 ALA A 50 -7.274 -5.157 5.234 1.00 0.17 H new ATOM 750 N THR A 51 -5.887 -3.169 8.075 1.00 0.18 N ATOM 751 CA THR A 51 -5.939 -3.226 9.536 1.00 0.21 C ATOM 752 C THR A 51 -7.212 -3.915 10.015 1.00 0.24 C ATOM 753 O THR A 51 -8.315 -3.472 9.699 1.00 0.26 O ATOM 754 CB THR A 51 -5.896 -1.814 10.147 1.00 0.21 C ATOM 755 OG1 THR A 51 -6.992 -1.048 9.641 1.00 0.21 O ATOM 756 CG2 THR A 51 -4.588 -1.104 9.820 1.00 0.21 C ATOM 0 H THR A 51 -6.014 -2.232 7.693 1.00 0.18 H new ATOM 0 HA THR A 51 -5.068 -3.796 9.861 1.00 0.21 H new ATOM 0 HB THR A 51 -5.968 -1.909 11.231 1.00 0.21 H new ATOM 0 HG1 THR A 51 -7.751 -1.642 9.462 1.00 0.21 H new ATOM 0 HG21 THR A 51 -4.592 -0.110 10.267 1.00 0.21 H new ATOM 0 HG22 THR A 51 -3.752 -1.678 10.220 1.00 0.21 H new ATOM 0 HG23 THR A 51 -4.483 -1.015 8.739 1.00 0.21 H new ATOM 764 N PRO A 52 -7.072 -5.008 10.777 1.00 0.28 N ATOM 765 CA PRO A 52 -8.210 -5.708 11.381 1.00 0.33 C ATOM 766 C PRO A 52 -9.025 -4.792 12.293 1.00 0.36 C ATOM 767 O PRO A 52 -8.535 -3.764 12.763 1.00 0.36 O ATOM 768 CB PRO A 52 -7.569 -6.819 12.215 1.00 0.38 C ATOM 769 CG PRO A 52 -6.163 -6.945 11.736 1.00 0.35 C ATOM 770 CD PRO A 52 -5.787 -5.639 11.101 1.00 0.30 C ATOM 0 HA PRO A 52 -8.900 -6.073 10.620 1.00 0.33 H new ATOM 0 HB2 PRO A 52 -7.597 -6.574 13.277 1.00 0.38 H new ATOM 0 HB3 PRO A 52 -8.108 -7.758 12.091 1.00 0.38 H new ATOM 0 HG2 PRO A 52 -5.494 -7.175 12.565 1.00 0.35 H new ATOM 0 HG3 PRO A 52 -6.074 -7.761 11.018 1.00 0.35 H new ATOM 0 HD2 PRO A 52 -5.201 -5.021 11.781 1.00 0.30 H new ATOM 0 HD3 PRO A 52 -5.182 -5.791 10.207 1.00 0.30 H new ATOM 778 N ALA A 53 -10.265 -5.188 12.563 1.00 0.42 N ATOM 779 CA ALA A 53 -11.175 -4.392 13.384 1.00 0.49 C ATOM 780 C ALA A 53 -10.740 -4.382 14.845 1.00 0.55 C ATOM 781 O ALA A 53 -11.228 -3.583 15.645 1.00 0.66 O ATOM 782 CB ALA A 53 -12.595 -4.923 13.261 1.00 0.54 C ATOM 0 H ALA A 53 -10.666 -6.062 12.223 1.00 0.42 H new ATOM 0 HA ALA A 53 -11.145 -3.365 13.019 1.00 0.49 H new ATOM 0 HB1 ALA A 53 -13.263 -4.321 13.877 1.00 0.54 H new ATOM 0 HB2 ALA A 53 -12.915 -4.869 12.220 1.00 0.54 H new ATOM 0 HB3 ALA A 53 -12.626 -5.959 13.597 1.00 0.54 H new ATOM 788 N SER A 54 -9.831 -5.285 15.187 1.00 0.53 N ATOM 789 CA SER A 54 -9.272 -5.350 16.527 1.00 0.60 C ATOM 790 C SER A 54 -8.001 -4.512 16.618 1.00 0.58 C ATOM 791 O SER A 54 -7.525 -4.188 17.708 1.00 0.75 O ATOM 792 CB SER A 54 -8.983 -6.805 16.882 1.00 0.66 C ATOM 793 OG SER A 54 -8.444 -7.496 15.765 1.00 1.50 O ATOM 0 H SER A 54 -9.463 -5.988 14.546 1.00 0.53 H new ATOM 0 HA SER A 54 -9.992 -4.944 17.237 1.00 0.60 H new ATOM 0 HB2 SER A 54 -8.282 -6.849 17.716 1.00 0.66 H new ATOM 0 HB3 SER A 54 -9.900 -7.294 17.210 1.00 0.66 H new ATOM 0 HG SER A 54 -8.263 -8.427 16.012 1.00 1.50 H new ATOM 799 N SER A 55 -7.463 -4.159 15.459 1.00 0.45 N ATOM 800 CA SER A 55 -6.251 -3.367 15.378 1.00 0.43 C ATOM 801 C SER A 55 -6.497 -1.923 15.788 1.00 0.48 C ATOM 802 O SER A 55 -7.553 -1.352 15.516 1.00 0.53 O ATOM 803 CB SER A 55 -5.682 -3.441 13.969 1.00 0.36 C ATOM 804 OG SER A 55 -5.059 -4.693 13.756 1.00 0.85 O ATOM 0 H SER A 55 -7.855 -4.414 14.553 1.00 0.45 H new ATOM 0 HA SER A 55 -5.525 -3.780 16.078 1.00 0.43 H new ATOM 0 HB2 SER A 55 -6.479 -3.295 13.240 1.00 0.36 H new ATOM 0 HB3 SER A 55 -4.961 -2.638 13.818 1.00 0.36 H new ATOM 0 HG SER A 55 -4.135 -4.553 13.461 1.00 0.85 H new ATOM 810 N GLU A 56 -5.502 -1.354 16.462 1.00 0.55 N ATOM 811 CA GLU A 56 -5.526 0.043 16.884 1.00 0.63 C ATOM 812 C GLU A 56 -5.419 0.966 15.685 1.00 0.55 C ATOM 813 O GLU A 56 -5.557 2.183 15.795 1.00 0.80 O ATOM 814 CB GLU A 56 -4.362 0.303 17.827 1.00 0.75 C ATOM 815 CG GLU A 56 -4.493 -0.426 19.148 1.00 0.91 C ATOM 816 CD GLU A 56 -3.337 -0.159 20.090 1.00 1.36 C ATOM 817 OE1 GLU A 56 -3.346 0.891 20.768 1.00 1.55 O ATOM 818 OE2 GLU A 56 -2.409 -0.994 20.155 1.00 1.77 O ATOM 0 H GLU A 56 -4.653 -1.851 16.732 1.00 0.55 H new ATOM 0 HA GLU A 56 -6.470 0.240 17.393 1.00 0.63 H new ATOM 0 HB2 GLU A 56 -3.434 -0.001 17.342 1.00 0.75 H new ATOM 0 HB3 GLU A 56 -4.287 1.374 18.016 1.00 0.75 H new ATOM 0 HG2 GLU A 56 -5.424 -0.127 19.630 1.00 0.91 H new ATOM 0 HG3 GLU A 56 -4.561 -1.498 18.960 1.00 0.91 H new ATOM 825 N LYS A 57 -5.156 0.363 14.547 1.00 0.36 N ATOM 826 CA LYS A 57 -4.956 1.074 13.321 1.00 0.30 C ATOM 827 C LYS A 57 -6.165 0.938 12.404 1.00 0.28 C ATOM 828 O LYS A 57 -6.933 -0.018 12.517 1.00 0.32 O ATOM 829 CB LYS A 57 -3.730 0.496 12.634 1.00 0.29 C ATOM 830 CG LYS A 57 -2.426 0.728 13.355 1.00 0.39 C ATOM 831 CD LYS A 57 -2.306 2.121 13.921 1.00 1.02 C ATOM 832 CE LYS A 57 -0.864 2.384 14.266 1.00 1.03 C ATOM 833 NZ LYS A 57 -0.459 1.764 15.554 1.00 1.63 N ATOM 0 H LYS A 57 -5.076 -0.650 14.454 1.00 0.36 H new ATOM 0 HA LYS A 57 -4.817 2.133 13.537 1.00 0.30 H new ATOM 0 HB2 LYS A 57 -3.874 -0.577 12.511 1.00 0.29 H new ATOM 0 HB3 LYS A 57 -3.656 0.925 11.635 1.00 0.29 H new ATOM 0 HG2 LYS A 57 -2.330 0.004 14.164 1.00 0.39 H new ATOM 0 HG3 LYS A 57 -1.600 0.549 12.667 1.00 0.39 H new ATOM 0 HD2 LYS A 57 -2.660 2.854 13.196 1.00 1.02 H new ATOM 0 HD3 LYS A 57 -2.931 2.223 14.808 1.00 1.02 H new ATOM 0 HE2 LYS A 57 -0.228 2.001 13.468 1.00 1.03 H new ATOM 0 HE3 LYS A 57 -0.698 3.460 14.318 1.00 1.03 H new ATOM 0 HZ1 LYS A 57 0.542 1.976 15.742 1.00 1.63 H new ATOM 0 HZ2 LYS A 57 -1.045 2.147 16.323 1.00 1.63 H new ATOM 0 HZ3 LYS A 57 -0.590 0.734 15.500 1.00 1.63 H new ATOM 847 N MET A 58 -6.326 1.903 11.511 1.00 0.27 N ATOM 848 CA MET A 58 -7.291 1.799 10.425 1.00 0.27 C ATOM 849 C MET A 58 -6.624 2.207 9.125 1.00 0.20 C ATOM 850 O MET A 58 -6.534 3.393 8.812 1.00 0.20 O ATOM 851 CB MET A 58 -8.509 2.682 10.690 1.00 0.34 C ATOM 852 CG MET A 58 -9.501 2.071 11.670 1.00 0.44 C ATOM 853 SD MET A 58 -10.266 0.570 11.032 1.00 1.11 S ATOM 854 CE MET A 58 -11.005 1.205 9.538 1.00 0.37 C ATOM 0 H MET A 58 -5.796 2.774 11.517 1.00 0.27 H new ATOM 0 HA MET A 58 -7.634 0.767 10.355 1.00 0.27 H new ATOM 0 HB2 MET A 58 -8.173 3.644 11.078 1.00 0.34 H new ATOM 0 HB3 MET A 58 -9.017 2.879 9.746 1.00 0.34 H new ATOM 0 HG2 MET A 58 -8.990 1.845 12.606 1.00 0.44 H new ATOM 0 HG3 MET A 58 -10.277 2.801 11.899 1.00 0.44 H new ATOM 0 HE1 MET A 58 -11.508 0.396 9.008 1.00 0.37 H new ATOM 0 HE2 MET A 58 -11.730 1.979 9.791 1.00 0.37 H new ATOM 0 HE3 MET A 58 -10.229 1.629 8.900 1.00 0.37 H new ATOM 864 N MET A 59 -6.188 1.216 8.359 1.00 0.16 N ATOM 865 CA MET A 59 -5.364 1.441 7.183 1.00 0.12 C ATOM 866 C MET A 59 -5.449 0.272 6.207 1.00 0.10 C ATOM 867 O MET A 59 -5.835 -0.836 6.575 1.00 0.13 O ATOM 868 CB MET A 59 -3.907 1.629 7.601 1.00 0.13 C ATOM 869 CG MET A 59 -3.632 2.954 8.283 1.00 0.15 C ATOM 870 SD MET A 59 -3.178 2.763 10.020 1.00 0.21 S ATOM 871 CE MET A 59 -1.887 1.525 9.911 1.00 0.22 C ATOM 0 H MET A 59 -6.397 0.234 8.537 1.00 0.16 H new ATOM 0 HA MET A 59 -5.736 2.337 6.686 1.00 0.12 H new ATOM 0 HB2 MET A 59 -3.625 0.819 8.274 1.00 0.13 H new ATOM 0 HB3 MET A 59 -3.272 1.547 6.719 1.00 0.13 H new ATOM 0 HG2 MET A 59 -2.829 3.469 7.756 1.00 0.15 H new ATOM 0 HG3 MET A 59 -4.517 3.586 8.210 1.00 0.15 H new ATOM 0 HE1 MET A 59 -2.227 0.602 10.382 1.00 0.22 H new ATOM 0 HE2 MET A 59 -1.654 1.334 8.864 1.00 0.22 H new ATOM 0 HE3 MET A 59 -0.994 1.885 10.422 1.00 0.22 H new ATOM 881 N LEU A 60 -5.076 0.544 4.971 1.00 0.08 N ATOM 882 CA LEU A 60 -5.022 -0.452 3.919 1.00 0.07 C ATOM 883 C LEU A 60 -3.733 -0.245 3.125 1.00 0.08 C ATOM 884 O LEU A 60 -3.527 0.813 2.546 1.00 0.09 O ATOM 885 CB LEU A 60 -6.240 -0.280 3.006 1.00 0.08 C ATOM 886 CG LEU A 60 -6.811 -1.557 2.393 1.00 0.07 C ATOM 887 CD1 LEU A 60 -8.061 -1.251 1.598 1.00 0.09 C ATOM 888 CD2 LEU A 60 -5.803 -2.235 1.498 1.00 0.10 C ATOM 0 H LEU A 60 -4.798 1.477 4.666 1.00 0.08 H new ATOM 0 HA LEU A 60 -5.034 -1.458 4.339 1.00 0.07 H new ATOM 0 HB2 LEU A 60 -7.030 0.208 3.577 1.00 0.08 H new ATOM 0 HB3 LEU A 60 -5.968 0.396 2.196 1.00 0.08 H new ATOM 0 HG LEU A 60 -7.058 -2.231 3.214 1.00 0.07 H new ATOM 0 HD11 LEU A 60 -8.454 -2.173 1.169 1.00 0.09 H new ATOM 0 HD12 LEU A 60 -8.810 -0.808 2.254 1.00 0.09 H new ATOM 0 HD13 LEU A 60 -7.821 -0.551 0.797 1.00 0.09 H new ATOM 0 HD21 LEU A 60 -6.241 -3.140 1.078 1.00 0.10 H new ATOM 0 HD22 LEU A 60 -5.521 -1.559 0.690 1.00 0.10 H new ATOM 0 HD23 LEU A 60 -4.918 -2.496 2.079 1.00 0.10 H new ATOM 900 N ARG A 61 -2.866 -1.237 3.109 1.00 0.09 N ATOM 901 CA ARG A 61 -1.605 -1.124 2.401 1.00 0.11 C ATOM 902 C ARG A 61 -1.634 -1.887 1.094 1.00 0.09 C ATOM 903 O ARG A 61 -2.127 -3.003 1.023 1.00 0.15 O ATOM 904 CB ARG A 61 -0.434 -1.633 3.237 1.00 0.15 C ATOM 905 CG ARG A 61 -0.068 -0.715 4.384 1.00 0.19 C ATOM 906 CD ARG A 61 1.410 -0.796 4.723 1.00 0.43 C ATOM 907 NE ARG A 61 2.178 0.225 4.003 1.00 1.46 N ATOM 908 CZ ARG A 61 3.156 0.958 4.548 1.00 1.91 C ATOM 909 NH1 ARG A 61 3.509 0.766 5.811 1.00 1.49 N ATOM 910 NH2 ARG A 61 3.781 1.879 3.825 1.00 2.99 N ATOM 0 H ARG A 61 -3.011 -2.131 3.578 1.00 0.09 H new ATOM 0 HA ARG A 61 -1.464 -0.062 2.201 1.00 0.11 H new ATOM 0 HB2 ARG A 61 -0.682 -2.617 3.634 1.00 0.15 H new ATOM 0 HB3 ARG A 61 0.435 -1.760 2.592 1.00 0.15 H new ATOM 0 HG2 ARG A 61 -0.325 0.312 4.124 1.00 0.19 H new ATOM 0 HG3 ARG A 61 -0.657 -0.978 5.262 1.00 0.19 H new ATOM 0 HD2 ARG A 61 1.547 -0.667 5.797 1.00 0.43 H new ATOM 0 HD3 ARG A 61 1.790 -1.786 4.470 1.00 0.43 H new ATOM 0 HE ARG A 61 1.952 0.387 3.022 1.00 1.46 H new ATOM 0 HH11 ARG A 61 3.035 0.058 6.371 1.00 1.49 H new ATOM 0 HH12 ARG A 61 4.255 1.327 6.223 1.00 1.49 H new ATOM 0 HH21 ARG A 61 3.516 2.029 2.852 1.00 2.99 H new ATOM 0 HH22 ARG A 61 4.526 2.436 4.243 1.00 2.99 H new ATOM 924 N LEU A 62 -1.103 -1.261 0.075 1.00 0.10 N ATOM 925 CA LEU A 62 -0.924 -1.873 -1.224 1.00 0.09 C ATOM 926 C LEU A 62 0.566 -2.124 -1.462 1.00 0.11 C ATOM 927 O LEU A 62 1.333 -1.189 -1.667 1.00 0.13 O ATOM 928 CB LEU A 62 -1.492 -0.941 -2.293 1.00 0.08 C ATOM 929 CG LEU A 62 -2.900 -1.258 -2.808 1.00 0.07 C ATOM 930 CD1 LEU A 62 -2.824 -2.369 -3.816 1.00 0.10 C ATOM 931 CD2 LEU A 62 -3.850 -1.651 -1.684 1.00 0.07 C ATOM 0 H LEU A 62 -0.776 -0.296 0.122 1.00 0.10 H new ATOM 0 HA LEU A 62 -1.449 -2.827 -1.271 1.00 0.09 H new ATOM 0 HB2 LEU A 62 -1.497 0.073 -1.892 1.00 0.08 H new ATOM 0 HB3 LEU A 62 -0.810 -0.944 -3.144 1.00 0.08 H new ATOM 0 HG LEU A 62 -3.296 -0.353 -3.269 1.00 0.07 H new ATOM 0 HD11 LEU A 62 -3.825 -2.596 -4.184 1.00 0.10 H new ATOM 0 HD12 LEU A 62 -2.192 -2.062 -4.649 1.00 0.10 H new ATOM 0 HD13 LEU A 62 -2.400 -3.257 -3.347 1.00 0.10 H new ATOM 0 HD21 LEU A 62 -4.835 -1.866 -2.099 1.00 0.07 H new ATOM 0 HD22 LEU A 62 -3.468 -2.537 -1.178 1.00 0.07 H new ATOM 0 HD23 LEU A 62 -3.928 -0.831 -0.970 1.00 0.07 H new ATOM 943 N ILE A 63 0.969 -3.379 -1.407 1.00 0.14 N ATOM 944 CA ILE A 63 2.379 -3.751 -1.501 1.00 0.17 C ATOM 945 C ILE A 63 2.792 -3.879 -2.964 1.00 0.16 C ATOM 946 O ILE A 63 2.484 -4.875 -3.618 1.00 0.17 O ATOM 947 CB ILE A 63 2.655 -5.098 -0.783 1.00 0.22 C ATOM 948 CG1 ILE A 63 2.412 -5.012 0.733 1.00 0.25 C ATOM 949 CG2 ILE A 63 4.066 -5.599 -1.038 1.00 0.29 C ATOM 950 CD1 ILE A 63 0.961 -4.976 1.130 1.00 0.23 C ATOM 0 H ILE A 63 0.336 -4.171 -1.296 1.00 0.14 H new ATOM 0 HA ILE A 63 2.959 -2.967 -1.016 1.00 0.17 H new ATOM 0 HB ILE A 63 1.946 -5.809 -1.208 1.00 0.22 H new ATOM 0 HG12 ILE A 63 2.886 -5.868 1.214 1.00 0.25 H new ATOM 0 HG13 ILE A 63 2.903 -4.118 1.117 1.00 0.25 H new ATOM 0 HG21 ILE A 63 4.216 -6.544 -0.517 1.00 0.29 H new ATOM 0 HG22 ILE A 63 4.212 -5.748 -2.108 1.00 0.29 H new ATOM 0 HG23 ILE A 63 4.784 -4.865 -0.673 1.00 0.29 H new ATOM 0 HD11 ILE A 63 0.882 -4.915 2.215 1.00 0.23 H new ATOM 0 HD12 ILE A 63 0.483 -4.105 0.682 1.00 0.23 H new ATOM 0 HD13 ILE A 63 0.466 -5.882 0.780 1.00 0.23 H new ATOM 962 N GLY A 64 3.469 -2.861 -3.469 1.00 0.20 N ATOM 963 CA GLY A 64 3.946 -2.878 -4.837 1.00 0.24 C ATOM 964 C GLY A 64 4.988 -3.948 -5.067 1.00 0.31 C ATOM 965 O GLY A 64 5.691 -4.346 -4.140 1.00 0.54 O ATOM 0 H GLY A 64 3.699 -2.014 -2.950 1.00 0.20 H new ATOM 0 HA2 GLY A 64 3.105 -3.042 -5.511 1.00 0.24 H new ATOM 0 HA3 GLY A 64 4.368 -1.904 -5.085 1.00 0.24 H new ATOM 969 N LYS A 65 5.084 -4.404 -6.301 1.00 0.23 N ATOM 970 CA LYS A 65 5.993 -5.481 -6.662 1.00 0.27 C ATOM 971 C LYS A 65 7.445 -5.035 -6.607 1.00 0.39 C ATOM 972 O LYS A 65 7.761 -3.862 -6.826 1.00 0.55 O ATOM 973 CB LYS A 65 5.637 -6.003 -8.044 1.00 0.26 C ATOM 974 CG LYS A 65 4.344 -6.767 -8.039 1.00 0.23 C ATOM 975 CD LYS A 65 3.937 -7.176 -9.427 1.00 0.23 C ATOM 976 CE LYS A 65 2.901 -8.262 -9.344 1.00 0.24 C ATOM 977 NZ LYS A 65 2.519 -8.788 -10.680 1.00 0.31 N ATOM 0 H LYS A 65 4.537 -4.041 -7.082 1.00 0.23 H new ATOM 0 HA LYS A 65 5.881 -6.285 -5.934 1.00 0.27 H new ATOM 0 HB2 LYS A 65 5.562 -5.167 -8.739 1.00 0.26 H new ATOM 0 HB3 LYS A 65 6.438 -6.648 -8.406 1.00 0.26 H new ATOM 0 HG2 LYS A 65 4.447 -7.654 -7.413 1.00 0.23 H new ATOM 0 HG3 LYS A 65 3.560 -6.153 -7.595 1.00 0.23 H new ATOM 0 HD2 LYS A 65 3.538 -6.318 -9.968 1.00 0.23 H new ATOM 0 HD3 LYS A 65 4.805 -7.528 -9.984 1.00 0.23 H new ATOM 0 HE2 LYS A 65 3.284 -9.078 -8.732 1.00 0.24 H new ATOM 0 HE3 LYS A 65 2.014 -7.876 -8.842 1.00 0.24 H new ATOM 0 HZ1 LYS A 65 1.778 -9.510 -10.570 1.00 0.31 H new ATOM 0 HZ2 LYS A 65 2.160 -8.010 -11.270 1.00 0.31 H new ATOM 0 HZ3 LYS A 65 3.351 -9.213 -11.137 1.00 0.31 H new ATOM 1007 N ASP A 67 11.118 -5.185 -7.974 1.00 1.15 N ATOM 1008 CA ASP A 67 12.162 -5.481 -8.935 1.00 1.59 C ATOM 1009 C ASP A 67 13.494 -5.399 -8.218 1.00 1.67 C ATOM 1010 O ASP A 67 14.120 -4.351 -8.204 1.00 1.81 O ATOM 1011 CB ASP A 67 12.144 -4.489 -10.097 1.00 1.96 C ATOM 1012 CG ASP A 67 13.154 -4.838 -11.174 1.00 2.55 C ATOM 1013 OD1 ASP A 67 14.333 -4.442 -11.045 1.00 3.23 O ATOM 1014 OD2 ASP A 67 12.777 -5.516 -12.150 1.00 2.68 O ATOM 0 HA ASP A 67 12.000 -6.477 -9.347 1.00 1.59 H new ATOM 0 HB2 ASP A 67 11.146 -4.464 -10.534 1.00 1.96 H new ATOM 0 HB3 ASP A 67 12.352 -3.488 -9.719 1.00 1.96 H new ATOM 1019 N GLU A 68 13.914 -6.488 -7.600 1.00 1.71 N ATOM 1020 CA GLU A 68 15.122 -6.474 -6.783 1.00 1.86 C ATOM 1021 C GLU A 68 16.366 -6.467 -7.653 1.00 2.21 C ATOM 1022 O GLU A 68 17.476 -6.270 -7.162 1.00 2.39 O ATOM 1023 CB GLU A 68 15.151 -7.676 -5.837 1.00 2.01 C ATOM 1024 CG GLU A 68 13.931 -7.783 -4.938 1.00 1.78 C ATOM 1025 CD GLU A 68 14.043 -8.914 -3.937 1.00 2.11 C ATOM 1026 OE1 GLU A 68 14.298 -10.062 -4.360 1.00 2.31 O ATOM 1027 OE2 GLU A 68 13.887 -8.658 -2.724 1.00 2.28 O ATOM 0 H GLU A 68 13.442 -7.391 -7.645 1.00 1.71 H new ATOM 0 HA GLU A 68 15.110 -5.561 -6.188 1.00 1.86 H new ATOM 0 HB2 GLU A 68 15.236 -8.588 -6.427 1.00 2.01 H new ATOM 0 HB3 GLU A 68 16.044 -7.615 -5.215 1.00 2.01 H new ATOM 0 HG2 GLU A 68 13.794 -6.843 -4.404 1.00 1.78 H new ATOM 0 HG3 GLU A 68 13.043 -7.933 -5.553 1.00 1.78 H new ATOM 1034 N SER A 69 16.176 -6.662 -8.950 1.00 2.35 N ATOM 1035 CA SER A 69 17.266 -6.554 -9.901 1.00 2.70 C ATOM 1036 C SER A 69 17.763 -5.110 -9.989 1.00 2.68 C ATOM 1037 O SER A 69 18.803 -4.831 -10.588 1.00 2.96 O ATOM 1038 CB SER A 69 16.817 -7.069 -11.262 1.00 2.93 C ATOM 1039 OG SER A 69 15.432 -6.836 -11.464 1.00 2.73 O ATOM 0 H SER A 69 15.274 -6.896 -9.366 1.00 2.35 H new ATOM 0 HA SER A 69 18.099 -7.168 -9.559 1.00 2.70 H new ATOM 0 HB2 SER A 69 17.390 -6.577 -12.048 1.00 2.93 H new ATOM 0 HB3 SER A 69 17.024 -8.136 -11.337 1.00 2.93 H new ATOM 0 HG SER A 69 15.276 -5.876 -11.588 1.00 2.73 H new ATOM 1045 N LYS A 70 17.019 -4.197 -9.366 1.00 2.38 N ATOM 1046 CA LYS A 70 17.434 -2.804 -9.252 1.00 2.44 C ATOM 1047 C LYS A 70 18.322 -2.613 -8.028 1.00 2.44 C ATOM 1048 O LYS A 70 18.293 -1.550 -7.404 1.00 2.49 O ATOM 1049 CB LYS A 70 16.227 -1.881 -9.107 1.00 2.25 C ATOM 1050 CG LYS A 70 15.561 -2.007 -7.747 1.00 1.93 C ATOM 1051 CD LYS A 70 14.708 -0.791 -7.406 1.00 1.83 C ATOM 1052 CE LYS A 70 13.655 -0.520 -8.468 1.00 2.08 C ATOM 1053 NZ LYS A 70 12.683 -1.636 -8.581 1.00 2.43 N ATOM 0 H LYS A 70 16.120 -4.402 -8.930 1.00 2.38 H new ATOM 0 HA LYS A 70 17.981 -2.554 -10.161 1.00 2.44 H new ATOM 0 HB2 LYS A 70 16.542 -0.849 -9.260 1.00 2.25 H new ATOM 0 HB3 LYS A 70 15.501 -2.112 -9.887 1.00 2.25 H new ATOM 0 HG2 LYS A 70 14.938 -2.901 -7.732 1.00 1.93 H new ATOM 0 HG3 LYS A 70 16.326 -2.138 -6.981 1.00 1.93 H new ATOM 0 HD2 LYS A 70 14.221 -0.948 -6.444 1.00 1.83 H new ATOM 0 HD3 LYS A 70 15.349 0.084 -7.300 1.00 1.83 H new ATOM 0 HE2 LYS A 70 13.124 0.401 -8.226 1.00 2.08 H new ATOM 0 HE3 LYS A 70 14.142 -0.364 -9.431 1.00 2.08 H new ATOM 0 HZ1 LYS A 70 12.230 -1.608 -9.517 1.00 2.43 H new ATOM 0 HZ2 LYS A 70 13.180 -2.542 -8.464 1.00 2.43 H new ATOM 0 HZ3 LYS A 70 11.958 -1.541 -7.842 1.00 2.43 H new ATOM 1067 N LYS A 71 19.111 -3.635 -7.699 1.00 2.50 N ATOM 1068 CA LYS A 71 19.989 -3.586 -6.529 1.00 2.56 C ATOM 1069 C LYS A 71 20.682 -2.240 -6.465 1.00 2.66 C ATOM 1070 O LYS A 71 21.493 -1.893 -7.324 1.00 2.87 O ATOM 1071 CB LYS A 71 21.025 -4.682 -6.606 1.00 2.80 C ATOM 1072 CG LYS A 71 20.473 -6.038 -6.329 1.00 2.85 C ATOM 1073 CD LYS A 71 21.531 -6.880 -5.697 1.00 2.92 C ATOM 1074 CE LYS A 71 21.106 -7.289 -4.318 1.00 3.32 C ATOM 1075 NZ LYS A 71 21.698 -8.588 -3.910 1.00 3.40 N ATOM 0 H LYS A 71 19.161 -4.507 -8.226 1.00 2.50 H new ATOM 0 HA LYS A 71 19.386 -3.729 -5.632 1.00 2.56 H new ATOM 0 HB2 LYS A 71 21.476 -4.677 -7.599 1.00 2.80 H new ATOM 0 HB3 LYS A 71 21.822 -4.470 -5.893 1.00 2.80 H new ATOM 0 HG2 LYS A 71 19.608 -5.964 -5.669 1.00 2.85 H new ATOM 0 HG3 LYS A 71 20.129 -6.500 -7.255 1.00 2.85 H new ATOM 0 HD2 LYS A 71 21.716 -7.764 -6.307 1.00 2.92 H new ATOM 0 HD3 LYS A 71 22.468 -6.325 -5.648 1.00 2.92 H new ATOM 0 HE2 LYS A 71 21.400 -6.518 -3.606 1.00 3.32 H new ATOM 0 HE3 LYS A 71 20.019 -7.360 -4.281 1.00 3.32 H new ATOM 0 HZ1 LYS A 71 21.030 -9.096 -3.296 1.00 3.40 H new ATOM 0 HZ2 LYS A 71 21.896 -9.160 -4.756 1.00 3.40 H new ATOM 0 HZ3 LYS A 71 22.584 -8.418 -3.392 1.00 3.40 H new ATOM 1089 N ARG A 72 20.333 -1.485 -5.443 1.00 2.57 N ATOM 1090 CA ARG A 72 20.692 -0.091 -5.371 1.00 2.73 C ATOM 1091 C ARG A 72 21.866 0.070 -4.424 1.00 2.93 C ATOM 1092 O ARG A 72 22.197 -0.857 -3.693 1.00 2.93 O ATOM 1093 CB ARG A 72 19.479 0.713 -4.888 1.00 2.60 C ATOM 1094 CG ARG A 72 19.665 2.223 -4.878 1.00 2.85 C ATOM 1095 CD ARG A 72 18.465 2.912 -4.248 1.00 2.77 C ATOM 1096 NE ARG A 72 18.558 4.368 -4.318 1.00 3.16 N ATOM 1097 CZ ARG A 72 17.574 5.194 -3.965 1.00 3.27 C ATOM 1098 NH1 ARG A 72 16.453 4.714 -3.435 1.00 3.01 N ATOM 1099 NH2 ARG A 72 17.725 6.503 -4.114 1.00 3.80 N ATOM 0 H ARG A 72 19.795 -1.822 -4.645 1.00 2.57 H new ATOM 0 HA ARG A 72 20.986 0.281 -6.353 1.00 2.73 H new ATOM 0 HB2 ARG A 72 18.627 0.472 -5.524 1.00 2.60 H new ATOM 0 HB3 ARG A 72 19.226 0.387 -3.879 1.00 2.60 H new ATOM 0 HG2 ARG A 72 20.569 2.479 -4.324 1.00 2.85 H new ATOM 0 HG3 ARG A 72 19.803 2.583 -5.897 1.00 2.85 H new ATOM 0 HD2 ARG A 72 17.556 2.584 -4.752 1.00 2.77 H new ATOM 0 HD3 ARG A 72 18.380 2.606 -3.205 1.00 2.77 H new ATOM 0 HE ARG A 72 19.429 4.777 -4.658 1.00 3.16 H new ATOM 0 HH11 ARG A 72 16.344 3.709 -3.297 1.00 3.01 H new ATOM 0 HH12 ARG A 72 15.703 5.350 -3.166 1.00 3.01 H new ATOM 0 HH21 ARG A 72 18.593 6.876 -4.498 1.00 3.80 H new ATOM 0 HH22 ARG A 72 16.973 7.137 -3.844 1.00 3.80 H new ATOM 1113 N LYS A 73 22.515 1.214 -4.449 1.00 3.16 N ATOM 1114 CA LYS A 73 23.525 1.515 -3.456 1.00 3.37 C ATOM 1115 C LYS A 73 23.330 2.925 -2.945 1.00 3.51 C ATOM 1116 O LYS A 73 22.821 3.790 -3.658 1.00 3.59 O ATOM 1117 CB LYS A 73 24.941 1.340 -4.013 1.00 3.60 C ATOM 1118 CG LYS A 73 25.285 -0.099 -4.357 1.00 3.56 C ATOM 1119 CD LYS A 73 26.770 -0.280 -4.584 1.00 3.86 C ATOM 1120 CE LYS A 73 27.127 -1.742 -4.787 1.00 3.91 C ATOM 1121 NZ LYS A 73 28.597 -1.963 -4.753 1.00 4.29 N ATOM 0 H LYS A 73 22.363 1.947 -5.141 1.00 3.16 H new ATOM 0 HA LYS A 73 23.412 0.809 -2.633 1.00 3.37 H new ATOM 0 HB2 LYS A 73 25.049 1.954 -4.907 1.00 3.60 H new ATOM 0 HB3 LYS A 73 25.659 1.712 -3.282 1.00 3.60 H new ATOM 0 HG2 LYS A 73 24.958 -0.754 -3.550 1.00 3.56 H new ATOM 0 HG3 LYS A 73 24.741 -0.399 -5.252 1.00 3.56 H new ATOM 0 HD2 LYS A 73 27.079 0.296 -5.457 1.00 3.86 H new ATOM 0 HD3 LYS A 73 27.321 0.115 -3.730 1.00 3.86 H new ATOM 0 HE2 LYS A 73 26.651 -2.343 -4.012 1.00 3.91 H new ATOM 0 HE3 LYS A 73 26.730 -2.083 -5.743 1.00 3.91 H new ATOM 0 HZ1 LYS A 73 28.800 -2.973 -4.895 1.00 4.29 H new ATOM 0 HZ2 LYS A 73 29.049 -1.409 -5.509 1.00 4.29 H new ATOM 0 HZ3 LYS A 73 28.972 -1.661 -3.831 1.00 4.29 H new ATOM 1135 N ASP A 74 23.715 3.139 -1.703 1.00 3.60 N ATOM 1136 CA ASP A 74 23.542 4.431 -1.061 1.00 3.78 C ATOM 1137 C ASP A 74 24.708 5.357 -1.404 1.00 4.11 C ATOM 1138 O ASP A 74 25.536 5.022 -2.253 1.00 4.21 O ATOM 1139 CB ASP A 74 23.432 4.252 0.456 1.00 3.80 C ATOM 1140 CG ASP A 74 24.780 4.216 1.141 1.00 4.13 C ATOM 1141 OD1 ASP A 74 25.565 3.282 0.886 1.00 4.41 O ATOM 1142 OD2 ASP A 74 25.063 5.136 1.931 1.00 4.38 O ATOM 0 H ASP A 74 24.153 2.431 -1.113 1.00 3.60 H new ATOM 0 HA ASP A 74 22.622 4.885 -1.429 1.00 3.78 H new ATOM 0 HB2 ASP A 74 22.840 5.067 0.872 1.00 3.80 H new ATOM 0 HB3 ASP A 74 22.896 3.328 0.670 1.00 3.80 H new ATOM 1147 N ASN A 75 24.782 6.504 -0.741 1.00 4.33 N ATOM 1148 CA ASN A 75 25.850 7.470 -0.989 1.00 4.67 C ATOM 1149 C ASN A 75 27.227 6.863 -0.736 1.00 4.79 C ATOM 1150 O ASN A 75 28.204 7.215 -1.402 1.00 5.01 O ATOM 1151 CB ASN A 75 25.670 8.705 -0.103 1.00 4.90 C ATOM 1152 CG ASN A 75 24.462 9.534 -0.494 1.00 4.86 C ATOM 1153 OD1 ASN A 75 24.550 10.416 -1.347 1.00 4.73 O ATOM 1154 ND2 ASN A 75 23.328 9.270 0.139 1.00 5.34 N ATOM 0 H ASN A 75 24.114 6.791 -0.025 1.00 4.33 H new ATOM 0 HA ASN A 75 25.788 7.759 -2.038 1.00 4.67 H new ATOM 0 HB2 ASN A 75 25.569 8.390 0.936 1.00 4.90 H new ATOM 0 HB3 ASN A 75 26.565 9.324 -0.163 1.00 4.90 H new ATOM 0 HD21 ASN A 75 22.487 9.807 -0.075 1.00 5.34 H new ATOM 0 HD22 ASN A 75 23.296 8.530 0.840 1.00 5.34 H new ATOM 1161 N GLU A 76 27.301 5.940 0.215 1.00 4.68 N ATOM 1162 CA GLU A 76 28.565 5.307 0.557 1.00 4.83 C ATOM 1163 C GLU A 76 28.892 4.197 -0.434 1.00 4.72 C ATOM 1164 O GLU A 76 30.020 4.091 -0.916 1.00 5.00 O ATOM 1165 CB GLU A 76 28.514 4.738 1.974 1.00 4.84 C ATOM 1166 CG GLU A 76 27.889 5.683 2.983 1.00 4.93 C ATOM 1167 CD GLU A 76 28.034 5.185 4.404 1.00 5.00 C ATOM 1168 OE1 GLU A 76 27.285 4.267 4.795 1.00 4.93 O ATOM 1169 OE2 GLU A 76 28.892 5.716 5.142 1.00 5.38 O ATOM 0 H GLU A 76 26.503 5.615 0.760 1.00 4.68 H new ATOM 0 HA GLU A 76 29.347 6.064 0.509 1.00 4.83 H new ATOM 0 HB2 GLU A 76 27.949 3.806 1.963 1.00 4.84 H new ATOM 0 HB3 GLU A 76 29.526 4.493 2.296 1.00 4.84 H new ATOM 0 HG2 GLU A 76 28.355 6.664 2.895 1.00 4.93 H new ATOM 0 HG3 GLU A 76 26.832 5.810 2.751 1.00 4.93 H new ATOM 1176 N GLY A 77 27.896 3.378 -0.743 1.00 4.37 N ATOM 1177 CA GLY A 77 28.097 2.289 -1.676 1.00 4.28 C ATOM 1178 C GLY A 77 27.579 0.971 -1.146 1.00 4.11 C ATOM 1179 O GLY A 77 27.939 -0.091 -1.655 1.00 4.12 O ATOM 0 H GLY A 77 26.952 3.449 -0.364 1.00 4.37 H new ATOM 0 HA2 GLY A 77 27.595 2.522 -2.615 1.00 4.28 H new ATOM 0 HA3 GLY A 77 29.160 2.196 -1.897 1.00 4.28 H new ATOM 1183 N ASN A 78 26.733 1.033 -0.125 1.00 4.01 N ATOM 1184 CA ASN A 78 26.139 -0.169 0.448 1.00 3.90 C ATOM 1185 C ASN A 78 25.043 -0.681 -0.463 1.00 3.63 C ATOM 1186 O ASN A 78 24.213 0.098 -0.935 1.00 3.48 O ATOM 1187 CB ASN A 78 25.557 0.113 1.837 1.00 3.95 C ATOM 1188 CG ASN A 78 26.597 0.596 2.828 1.00 4.26 C ATOM 1189 OD1 ASN A 78 27.234 -0.200 3.520 1.00 4.35 O ATOM 1190 ND2 ASN A 78 26.773 1.904 2.909 1.00 4.51 N ATOM 0 H ASN A 78 26.443 1.902 0.323 1.00 4.01 H new ATOM 0 HA ASN A 78 26.921 -0.922 0.547 1.00 3.90 H new ATOM 0 HB2 ASN A 78 24.770 0.863 1.750 1.00 3.95 H new ATOM 0 HB3 ASN A 78 25.091 -0.795 2.221 1.00 3.95 H new ATOM 0 HD21 ASN A 78 27.456 2.287 3.562 1.00 4.51 H new ATOM 0 HD22 ASN A 78 26.225 2.530 2.318 1.00 4.51 H new ATOM 1197 N GLU A 79 25.046 -1.982 -0.718 1.00 3.59 N ATOM 1198 CA GLU A 79 24.050 -2.587 -1.587 1.00 3.37 C ATOM 1199 C GLU A 79 22.693 -2.607 -0.907 1.00 3.16 C ATOM 1200 O GLU A 79 22.370 -3.525 -0.152 1.00 3.24 O ATOM 1201 CB GLU A 79 24.457 -4.010 -1.969 1.00 3.48 C ATOM 1202 CG GLU A 79 23.563 -4.647 -3.004 1.00 3.32 C ATOM 1203 CD GLU A 79 24.004 -6.052 -3.335 1.00 3.64 C ATOM 1204 OE1 GLU A 79 23.765 -6.960 -2.515 1.00 3.63 O ATOM 1205 OE2 GLU A 79 24.601 -6.254 -4.412 1.00 4.28 O ATOM 0 H GLU A 79 25.727 -2.637 -0.335 1.00 3.59 H new ATOM 0 HA GLU A 79 23.985 -1.986 -2.494 1.00 3.37 H new ATOM 0 HB2 GLU A 79 25.479 -3.996 -2.346 1.00 3.48 H new ATOM 0 HB3 GLU A 79 24.457 -4.630 -1.073 1.00 3.48 H new ATOM 0 HG2 GLU A 79 22.537 -4.665 -2.637 1.00 3.32 H new ATOM 0 HG3 GLU A 79 23.567 -4.041 -3.910 1.00 3.32 H new ATOM 1212 N VAL A 80 21.906 -1.588 -1.171 1.00 2.96 N ATOM 1213 CA VAL A 80 20.570 -1.516 -0.642 1.00 2.77 C ATOM 1214 C VAL A 80 19.579 -1.975 -1.703 1.00 2.50 C ATOM 1215 O VAL A 80 19.249 -1.249 -2.634 1.00 2.43 O ATOM 1216 CB VAL A 80 20.225 -0.089 -0.135 1.00 2.83 C ATOM 1217 CG1 VAL A 80 21.088 0.268 1.065 1.00 3.10 C ATOM 1218 CG2 VAL A 80 20.382 0.962 -1.228 1.00 2.90 C ATOM 0 H VAL A 80 22.174 -0.795 -1.753 1.00 2.96 H new ATOM 0 HA VAL A 80 20.505 -2.179 0.221 1.00 2.77 H new ATOM 0 HB VAL A 80 19.177 -0.095 0.164 1.00 2.83 H new ATOM 0 HG11 VAL A 80 20.835 1.271 1.410 1.00 3.10 H new ATOM 0 HG12 VAL A 80 20.909 -0.447 1.868 1.00 3.10 H new ATOM 0 HG13 VAL A 80 22.139 0.237 0.779 1.00 3.10 H new ATOM 0 HG21 VAL A 80 20.130 1.944 -0.827 1.00 2.90 H new ATOM 0 HG22 VAL A 80 21.413 0.968 -1.582 1.00 2.90 H new ATOM 0 HG23 VAL A 80 19.715 0.727 -2.058 1.00 2.90 H new ATOM 1228 N VAL A 81 19.140 -3.210 -1.586 1.00 2.40 N ATOM 1229 CA VAL A 81 18.140 -3.728 -2.493 1.00 2.15 C ATOM 1230 C VAL A 81 16.759 -3.380 -1.949 1.00 1.86 C ATOM 1231 O VAL A 81 16.324 -3.911 -0.925 1.00 1.84 O ATOM 1232 CB VAL A 81 18.311 -5.246 -2.744 1.00 2.25 C ATOM 1233 CG1 VAL A 81 18.738 -5.968 -1.483 1.00 2.50 C ATOM 1234 CG2 VAL A 81 17.043 -5.856 -3.319 1.00 2.24 C ATOM 0 H VAL A 81 19.458 -3.870 -0.876 1.00 2.40 H new ATOM 0 HA VAL A 81 18.263 -3.260 -3.470 1.00 2.15 H new ATOM 0 HB VAL A 81 19.104 -5.369 -3.482 1.00 2.25 H new ATOM 0 HG11 VAL A 81 18.849 -7.032 -1.693 1.00 2.50 H new ATOM 0 HG12 VAL A 81 19.690 -5.565 -1.137 1.00 2.50 H new ATOM 0 HG13 VAL A 81 17.983 -5.828 -0.710 1.00 2.50 H new ATOM 0 HG21 VAL A 81 17.195 -6.923 -3.484 1.00 2.24 H new ATOM 0 HG22 VAL A 81 16.220 -5.711 -2.620 1.00 2.24 H new ATOM 0 HG23 VAL A 81 16.804 -5.373 -4.266 1.00 2.24 H new ATOM 1244 N PRO A 82 16.086 -2.421 -2.605 1.00 1.72 N ATOM 1245 CA PRO A 82 14.841 -1.819 -2.109 1.00 1.49 C ATOM 1246 C PRO A 82 13.729 -2.828 -1.875 1.00 1.31 C ATOM 1247 O PRO A 82 13.541 -3.771 -2.650 1.00 1.32 O ATOM 1248 CB PRO A 82 14.468 -0.829 -3.221 1.00 1.55 C ATOM 1249 CG PRO A 82 15.774 -0.517 -3.852 1.00 1.82 C ATOM 1250 CD PRO A 82 16.478 -1.832 -3.896 1.00 1.87 C ATOM 0 HA PRO A 82 14.978 -1.357 -1.131 1.00 1.49 H new ATOM 0 HB2 PRO A 82 13.771 -1.269 -3.935 1.00 1.55 H new ATOM 0 HB3 PRO A 82 13.991 0.065 -2.820 1.00 1.55 H new ATOM 0 HG2 PRO A 82 15.645 -0.100 -4.851 1.00 1.82 H new ATOM 0 HG3 PRO A 82 16.333 0.216 -3.270 1.00 1.82 H new ATOM 0 HD2 PRO A 82 16.155 -2.442 -4.740 1.00 1.87 H new ATOM 0 HD3 PRO A 82 17.558 -1.716 -3.982 1.00 1.87 H new ATOM 1335 N HIS A 87 1.776 1.026 -0.287 1.00 0.29 N ATOM 1336 CA HIS A 87 0.931 2.207 -0.330 1.00 0.28 C ATOM 1337 C HIS A 87 -0.122 2.094 0.757 1.00 0.34 C ATOM 1338 O HIS A 87 -1.014 1.265 0.658 1.00 0.72 O ATOM 1339 CB HIS A 87 0.230 2.293 -1.697 1.00 0.28 C ATOM 1340 CG HIS A 87 1.147 2.191 -2.883 1.00 0.25 C ATOM 1341 ND1 HIS A 87 1.696 3.279 -3.521 1.00 0.26 N ATOM 1342 CD2 HIS A 87 1.574 1.105 -3.569 1.00 0.28 C ATOM 1343 CE1 HIS A 87 2.411 2.864 -4.552 1.00 0.27 C ATOM 1344 NE2 HIS A 87 2.355 1.552 -4.600 1.00 0.29 N ATOM 0 HA HIS A 87 1.540 3.098 -0.177 1.00 0.28 H new ATOM 0 HB2 HIS A 87 -0.512 1.497 -1.760 1.00 0.28 H new ATOM 0 HB3 HIS A 87 -0.310 3.238 -1.754 1.00 0.28 H new ATOM 0 HD2 HIS A 87 1.341 0.075 -3.344 1.00 0.28 H new ATOM 0 HE1 HIS A 87 2.951 3.497 -5.240 1.00 0.27 H new ATOM 0 HE2 HIS A 87 2.818 0.963 -5.292 1.00 0.29 H new ATOM 1353 N MET A 88 -0.032 2.911 1.791 1.00 0.14 N ATOM 1354 CA MET A 88 -0.961 2.783 2.904 1.00 0.12 C ATOM 1355 C MET A 88 -2.023 3.844 2.844 1.00 0.15 C ATOM 1356 O MET A 88 -1.728 5.038 2.801 1.00 0.27 O ATOM 1357 CB MET A 88 -0.263 2.891 4.248 1.00 0.18 C ATOM 1358 CG MET A 88 -1.128 2.437 5.408 1.00 0.15 C ATOM 1359 SD MET A 88 -0.592 3.113 6.991 1.00 0.21 S ATOM 1360 CE MET A 88 0.709 1.967 7.421 1.00 0.27 C ATOM 0 H MET A 88 0.658 3.656 1.886 1.00 0.14 H new ATOM 0 HA MET A 88 -1.408 1.793 2.812 1.00 0.12 H new ATOM 0 HB2 MET A 88 0.648 2.293 4.226 1.00 0.18 H new ATOM 0 HB3 MET A 88 0.039 3.926 4.411 1.00 0.18 H new ATOM 0 HG2 MET A 88 -2.160 2.734 5.223 1.00 0.15 H new ATOM 0 HG3 MET A 88 -1.114 1.348 5.460 1.00 0.15 H new ATOM 0 HE1 MET A 88 0.813 1.925 8.505 1.00 0.27 H new ATOM 0 HE2 MET A 88 0.461 0.976 7.042 1.00 0.27 H new ATOM 0 HE3 MET A 88 1.648 2.300 6.979 1.00 0.27 H new ATOM 1370 N PHE A 89 -3.254 3.403 2.856 1.00 0.10 N ATOM 1371 CA PHE A 89 -4.358 4.310 2.926 1.00 0.11 C ATOM 1372 C PHE A 89 -5.063 4.137 4.261 1.00 0.13 C ATOM 1373 O PHE A 89 -5.457 3.038 4.611 1.00 0.27 O ATOM 1374 CB PHE A 89 -5.344 4.047 1.790 1.00 0.11 C ATOM 1375 CG PHE A 89 -4.694 3.702 0.483 1.00 0.10 C ATOM 1376 CD1 PHE A 89 -4.014 4.661 -0.237 1.00 0.13 C ATOM 1377 CD2 PHE A 89 -4.767 2.415 -0.023 1.00 0.10 C ATOM 1378 CE1 PHE A 89 -3.413 4.350 -1.441 1.00 0.15 C ATOM 1379 CE2 PHE A 89 -4.171 2.095 -1.228 1.00 0.12 C ATOM 1380 CZ PHE A 89 -3.492 3.065 -1.938 1.00 0.14 C ATOM 0 H PHE A 89 -3.513 2.417 2.818 1.00 0.10 H new ATOM 0 HA PHE A 89 -3.984 5.329 2.831 1.00 0.11 H new ATOM 0 HB2 PHE A 89 -6.007 3.232 2.080 1.00 0.11 H new ATOM 0 HB3 PHE A 89 -5.967 4.931 1.652 1.00 0.11 H new ATOM 0 HD1 PHE A 89 -3.950 5.669 0.146 1.00 0.13 H new ATOM 0 HD2 PHE A 89 -5.296 1.653 0.530 1.00 0.10 H new ATOM 0 HE1 PHE A 89 -2.882 5.111 -1.993 1.00 0.15 H new ATOM 0 HE2 PHE A 89 -4.236 1.088 -1.614 1.00 0.12 H new ATOM 0 HZ PHE A 89 -3.024 2.819 -2.880 1.00 0.14 H new ATOM 1390 N SER A 90 -5.216 5.208 5.000 1.00 0.18 N ATOM 1391 CA SER A 90 -5.913 5.151 6.271 1.00 0.19 C ATOM 1392 C SER A 90 -7.414 5.192 6.038 1.00 0.20 C ATOM 1393 O SER A 90 -7.887 5.789 5.078 1.00 0.29 O ATOM 1394 CB SER A 90 -5.468 6.296 7.172 1.00 0.33 C ATOM 1395 OG SER A 90 -4.565 5.852 8.167 1.00 1.26 O ATOM 0 H SER A 90 -4.869 6.133 4.747 1.00 0.18 H new ATOM 0 HA SER A 90 -5.667 4.215 6.772 1.00 0.19 H new ATOM 0 HB2 SER A 90 -4.995 7.072 6.570 1.00 0.33 H new ATOM 0 HB3 SER A 90 -6.340 6.748 7.646 1.00 0.33 H new ATOM 0 HG SER A 90 -4.297 6.610 8.727 1.00 1.26 H new ATOM 1401 N PHE A 91 -8.158 4.539 6.906 1.00 0.19 N ATOM 1402 CA PHE A 91 -9.587 4.376 6.707 1.00 0.21 C ATOM 1403 C PHE A 91 -10.374 4.766 7.940 1.00 0.27 C ATOM 1404 O PHE A 91 -9.813 4.982 9.015 1.00 0.32 O ATOM 1405 CB PHE A 91 -9.896 2.926 6.352 1.00 0.18 C ATOM 1406 CG PHE A 91 -9.769 2.622 4.888 1.00 0.15 C ATOM 1407 CD1 PHE A 91 -8.523 2.458 4.307 1.00 0.14 C ATOM 1408 CD2 PHE A 91 -10.894 2.496 4.094 1.00 0.17 C ATOM 1409 CE1 PHE A 91 -8.402 2.175 2.962 1.00 0.13 C ATOM 1410 CE2 PHE A 91 -10.777 2.213 2.747 1.00 0.17 C ATOM 1411 CZ PHE A 91 -9.539 2.069 2.177 1.00 0.14 C ATOM 0 H PHE A 91 -7.798 4.111 7.759 1.00 0.19 H new ATOM 0 HA PHE A 91 -9.884 5.036 5.892 1.00 0.21 H new ATOM 0 HB2 PHE A 91 -9.223 2.274 6.909 1.00 0.18 H new ATOM 0 HB3 PHE A 91 -10.910 2.690 6.676 1.00 0.18 H new ATOM 0 HD1 PHE A 91 -7.635 2.553 4.914 1.00 0.14 H new ATOM 0 HD2 PHE A 91 -11.874 2.620 4.531 1.00 0.17 H new ATOM 0 HE1 PHE A 91 -7.425 2.037 2.523 1.00 0.13 H new ATOM 0 HE2 PHE A 91 -11.664 2.105 2.141 1.00 0.17 H new ATOM 0 HZ PHE A 91 -9.450 1.873 1.119 1.00 0.14 H new ATOM 1421 N ASN A 92 -11.679 4.871 7.763 1.00 0.29 N ATOM 1422 CA ASN A 92 -12.591 5.132 8.860 1.00 0.36 C ATOM 1423 C ASN A 92 -13.603 3.993 8.975 1.00 0.34 C ATOM 1424 O ASN A 92 -14.335 3.894 9.957 1.00 0.45 O ATOM 1425 CB ASN A 92 -13.315 6.465 8.637 1.00 0.48 C ATOM 1426 CG ASN A 92 -14.085 6.934 9.858 1.00 1.47 C ATOM 1427 OD1 ASN A 92 -13.697 6.669 10.994 1.00 2.38 O ATOM 1428 ND2 ASN A 92 -15.178 7.642 9.632 1.00 1.95 N ATOM 0 H ASN A 92 -12.135 4.778 6.855 1.00 0.29 H new ATOM 0 HA ASN A 92 -12.023 5.195 9.788 1.00 0.36 H new ATOM 0 HB2 ASN A 92 -12.586 7.226 8.360 1.00 0.48 H new ATOM 0 HB3 ASN A 92 -14.003 6.362 7.798 1.00 0.48 H new ATOM 0 HD21 ASN A 92 -15.732 7.989 10.415 1.00 1.95 H new ATOM 0 HD22 ASN A 92 -15.468 7.841 8.675 1.00 1.95 H new ATOM 1435 N ASN A 93 -13.633 3.124 7.966 1.00 0.28 N ATOM 1436 CA ASN A 93 -14.572 2.008 7.946 1.00 0.32 C ATOM 1437 C ASN A 93 -13.884 0.730 7.484 1.00 0.25 C ATOM 1438 O ASN A 93 -13.212 0.700 6.449 1.00 0.23 O ATOM 1439 CB ASN A 93 -15.762 2.309 7.029 1.00 0.44 C ATOM 1440 CG ASN A 93 -16.643 3.430 7.541 1.00 0.60 C ATOM 1441 OD1 ASN A 93 -17.560 3.206 8.333 1.00 1.10 O ATOM 1442 ND2 ASN A 93 -16.389 4.642 7.075 1.00 0.78 N ATOM 0 H ASN A 93 -13.018 3.173 7.154 1.00 0.28 H new ATOM 0 HA ASN A 93 -14.937 1.868 8.963 1.00 0.32 H new ATOM 0 HB2 ASN A 93 -15.391 2.571 6.038 1.00 0.44 H new ATOM 0 HB3 ASN A 93 -16.363 1.406 6.916 1.00 0.44 H new ATOM 0 HD21 ASN A 93 -16.962 5.432 7.370 1.00 0.78 H new ATOM 0 HD22 ASN A 93 -15.620 4.786 6.420 1.00 0.78 H new ATOM 1449 N ARG A 94 -14.054 -0.319 8.277 1.00 0.28 N ATOM 1450 CA ARG A 94 -13.491 -1.631 7.988 1.00 0.27 C ATOM 1451 C ARG A 94 -14.144 -2.273 6.774 1.00 0.23 C ATOM 1452 O ARG A 94 -13.480 -2.956 5.996 1.00 0.23 O ATOM 1453 CB ARG A 94 -13.656 -2.542 9.203 1.00 0.37 C ATOM 1454 CG ARG A 94 -12.577 -2.380 10.234 1.00 0.43 C ATOM 1455 CD ARG A 94 -11.345 -3.135 9.824 1.00 0.89 C ATOM 1456 NE ARG A 94 -11.637 -4.556 9.588 1.00 1.62 N ATOM 1457 CZ ARG A 94 -11.016 -5.320 8.685 1.00 2.41 C ATOM 1458 NH1 ARG A 94 -10.016 -4.836 7.962 1.00 2.59 N ATOM 1459 NH2 ARG A 94 -11.393 -6.581 8.519 1.00 3.09 N ATOM 0 H ARG A 94 -14.590 -0.284 9.144 1.00 0.28 H new ATOM 0 HA ARG A 94 -12.433 -1.496 7.764 1.00 0.27 H new ATOM 0 HB2 ARG A 94 -14.622 -2.342 9.667 1.00 0.37 H new ATOM 0 HB3 ARG A 94 -13.672 -3.579 8.868 1.00 0.37 H new ATOM 0 HG2 ARG A 94 -12.339 -1.323 10.358 1.00 0.43 H new ATOM 0 HG3 ARG A 94 -12.930 -2.743 11.199 1.00 0.43 H new ATOM 0 HD2 ARG A 94 -10.931 -2.692 8.918 1.00 0.89 H new ATOM 0 HD3 ARG A 94 -10.585 -3.043 10.600 1.00 0.89 H new ATOM 0 HE ARG A 94 -12.366 -4.990 10.154 1.00 1.62 H new ATOM 0 HH11 ARG A 94 -9.713 -3.871 8.092 1.00 2.59 H new ATOM 0 HH12 ARG A 94 -9.549 -5.429 7.276 1.00 2.59 H new ATOM 0 HH21 ARG A 94 -12.154 -6.964 9.080 1.00 3.09 H new ATOM 0 HH22 ARG A 94 -10.922 -7.168 7.831 1.00 3.09 H new ATOM 1473 N THR A 95 -15.439 -2.049 6.611 1.00 0.23 N ATOM 1474 CA THR A 95 -16.173 -2.634 5.500 1.00 0.23 C ATOM 1475 C THR A 95 -15.615 -2.145 4.166 1.00 0.20 C ATOM 1476 O THR A 95 -15.510 -2.912 3.207 1.00 0.23 O ATOM 1477 CB THR A 95 -17.671 -2.293 5.592 1.00 0.27 C ATOM 1478 OG1 THR A 95 -18.148 -2.572 6.914 1.00 0.35 O ATOM 1479 CG2 THR A 95 -18.481 -3.094 4.582 1.00 0.29 C ATOM 0 H THR A 95 -16.002 -1.468 7.232 1.00 0.23 H new ATOM 0 HA THR A 95 -16.055 -3.716 5.558 1.00 0.23 H new ATOM 0 HB THR A 95 -17.793 -1.233 5.368 1.00 0.27 H new ATOM 0 HG1 THR A 95 -19.101 -2.353 6.971 1.00 0.35 H new ATOM 0 HG21 THR A 95 -19.535 -2.832 4.671 1.00 0.29 H new ATOM 0 HG22 THR A 95 -18.134 -2.866 3.574 1.00 0.29 H new ATOM 0 HG23 THR A 95 -18.355 -4.159 4.777 1.00 0.29 H new ATOM 1487 N VAL A 96 -15.231 -0.875 4.121 1.00 0.17 N ATOM 1488 CA VAL A 96 -14.671 -0.295 2.911 1.00 0.15 C ATOM 1489 C VAL A 96 -13.334 -0.934 2.586 1.00 0.12 C ATOM 1490 O VAL A 96 -13.165 -1.505 1.519 1.00 0.14 O ATOM 1491 CB VAL A 96 -14.452 1.221 3.036 1.00 0.16 C ATOM 1492 CG1 VAL A 96 -14.112 1.817 1.682 1.00 0.19 C ATOM 1493 CG2 VAL A 96 -15.667 1.900 3.629 1.00 0.23 C ATOM 0 H VAL A 96 -15.298 -0.230 4.908 1.00 0.17 H new ATOM 0 HA VAL A 96 -15.395 -0.484 2.118 1.00 0.15 H new ATOM 0 HB VAL A 96 -13.613 1.390 3.712 1.00 0.16 H new ATOM 0 HG11 VAL A 96 -13.959 2.891 1.785 1.00 0.19 H new ATOM 0 HG12 VAL A 96 -13.201 1.356 1.300 1.00 0.19 H new ATOM 0 HG13 VAL A 96 -14.931 1.632 0.987 1.00 0.19 H new ATOM 0 HG21 VAL A 96 -15.484 2.972 3.706 1.00 0.23 H new ATOM 0 HG22 VAL A 96 -16.531 1.725 2.988 1.00 0.23 H new ATOM 0 HG23 VAL A 96 -15.863 1.494 4.621 1.00 0.23 H new ATOM 1503 N MET A 97 -12.392 -0.841 3.522 1.00 0.11 N ATOM 1504 CA MET A 97 -11.041 -1.357 3.308 1.00 0.11 C ATOM 1505 C MET A 97 -11.066 -2.828 2.930 1.00 0.11 C ATOM 1506 O MET A 97 -10.314 -3.260 2.065 1.00 0.17 O ATOM 1507 CB MET A 97 -10.171 -1.149 4.549 1.00 0.11 C ATOM 1508 CG MET A 97 -10.603 -1.957 5.754 1.00 0.13 C ATOM 1509 SD MET A 97 -9.330 -2.042 7.022 1.00 0.17 S ATOM 1510 CE MET A 97 -9.042 -0.305 7.301 1.00 0.17 C ATOM 0 H MET A 97 -12.539 -0.413 4.436 1.00 0.11 H new ATOM 0 HA MET A 97 -10.607 -0.797 2.480 1.00 0.11 H new ATOM 0 HB2 MET A 97 -9.141 -1.407 4.304 1.00 0.11 H new ATOM 0 HB3 MET A 97 -10.181 -0.091 4.813 1.00 0.11 H new ATOM 0 HG2 MET A 97 -11.505 -1.516 6.179 1.00 0.13 H new ATOM 0 HG3 MET A 97 -10.862 -2.967 5.436 1.00 0.13 H new ATOM 0 HE1 MET A 97 -8.836 -0.136 8.358 1.00 0.17 H new ATOM 0 HE2 MET A 97 -8.188 0.022 6.708 1.00 0.17 H new ATOM 0 HE3 MET A 97 -9.926 0.262 7.008 1.00 0.17 H new ATOM 1520 N ASP A 98 -11.943 -3.592 3.563 1.00 0.10 N ATOM 1521 CA ASP A 98 -12.053 -5.010 3.260 1.00 0.11 C ATOM 1522 C ASP A 98 -12.553 -5.209 1.839 1.00 0.12 C ATOM 1523 O ASP A 98 -12.081 -6.090 1.133 1.00 0.17 O ATOM 1524 CB ASP A 98 -12.995 -5.703 4.247 1.00 0.17 C ATOM 1525 CG ASP A 98 -13.010 -7.207 4.064 1.00 0.25 C ATOM 1526 OD1 ASP A 98 -12.033 -7.867 4.471 1.00 0.31 O ATOM 1527 OD2 ASP A 98 -14.008 -7.738 3.526 1.00 0.34 O ATOM 0 H ASP A 98 -12.583 -3.258 4.283 1.00 0.10 H new ATOM 0 HA ASP A 98 -11.063 -5.456 3.353 1.00 0.11 H new ATOM 0 HB2 ASP A 98 -12.689 -5.466 5.266 1.00 0.17 H new ATOM 0 HB3 ASP A 98 -14.005 -5.313 4.118 1.00 0.17 H new ATOM 1532 N ASN A 99 -13.494 -4.370 1.427 1.00 0.12 N ATOM 1533 CA ASN A 99 -14.062 -4.431 0.080 1.00 0.12 C ATOM 1534 C ASN A 99 -13.088 -3.887 -0.961 1.00 0.11 C ATOM 1535 O ASN A 99 -12.985 -4.437 -2.059 1.00 0.15 O ATOM 1536 CB ASN A 99 -15.372 -3.636 0.028 1.00 0.15 C ATOM 1537 CG ASN A 99 -16.593 -4.496 0.287 1.00 0.81 C ATOM 1538 OD1 ASN A 99 -17.162 -5.082 -0.634 1.00 1.36 O ATOM 1539 ND2 ASN A 99 -17.008 -4.573 1.540 1.00 1.14 N ATOM 0 H ASN A 99 -13.886 -3.631 2.011 1.00 0.12 H new ATOM 0 HA ASN A 99 -14.258 -5.477 -0.153 1.00 0.12 H new ATOM 0 HB2 ASN A 99 -15.335 -2.835 0.766 1.00 0.15 H new ATOM 0 HB3 ASN A 99 -15.467 -3.164 -0.950 1.00 0.15 H new ATOM 0 HD21 ASN A 99 -17.828 -5.134 1.772 1.00 1.14 H new ATOM 0 HD22 ASN A 99 -16.508 -4.072 2.274 1.00 1.14 H new ATOM 1546 N ILE A 100 -12.389 -2.804 -0.629 1.00 0.09 N ATOM 1547 CA ILE A 100 -11.372 -2.262 -1.523 1.00 0.08 C ATOM 1548 C ILE A 100 -10.294 -3.305 -1.720 1.00 0.08 C ATOM 1549 O ILE A 100 -10.034 -3.725 -2.845 1.00 0.08 O ATOM 1550 CB ILE A 100 -10.717 -0.963 -0.989 1.00 0.10 C ATOM 1551 CG1 ILE A 100 -11.770 0.075 -0.622 1.00 0.10 C ATOM 1552 CG2 ILE A 100 -9.770 -0.378 -2.025 1.00 0.11 C ATOM 1553 CD1 ILE A 100 -12.773 0.343 -1.722 1.00 0.12 C ATOM 0 H ILE A 100 -12.507 -2.290 0.244 1.00 0.09 H new ATOM 0 HA ILE A 100 -11.868 -2.010 -2.460 1.00 0.08 H new ATOM 0 HB ILE A 100 -10.156 -1.223 -0.092 1.00 0.10 H new ATOM 0 HG12 ILE A 100 -12.302 -0.260 0.268 1.00 0.10 H new ATOM 0 HG13 ILE A 100 -11.271 1.009 -0.363 1.00 0.10 H new ATOM 0 HG21 ILE A 100 -9.319 0.534 -1.632 1.00 0.11 H new ATOM 0 HG22 ILE A 100 -8.987 -1.101 -2.252 1.00 0.11 H new ATOM 0 HG23 ILE A 100 -10.324 -0.146 -2.935 1.00 0.11 H new ATOM 0 HD11 ILE A 100 -13.490 1.092 -1.386 1.00 0.12 H new ATOM 0 HD12 ILE A 100 -12.253 0.709 -2.607 1.00 0.12 H new ATOM 0 HD13 ILE A 100 -13.300 -0.579 -1.966 1.00 0.12 H new ATOM 1565 N LYS A 101 -9.704 -3.739 -0.605 1.00 0.08 N ATOM 1566 CA LYS A 101 -8.696 -4.783 -0.607 1.00 0.09 C ATOM 1567 C LYS A 101 -9.200 -5.985 -1.387 1.00 0.09 C ATOM 1568 O LYS A 101 -8.514 -6.491 -2.256 1.00 0.10 O ATOM 1569 CB LYS A 101 -8.391 -5.222 0.820 1.00 0.10 C ATOM 1570 CG LYS A 101 -7.029 -5.867 0.966 1.00 0.14 C ATOM 1571 CD LYS A 101 -6.796 -6.341 2.382 1.00 0.19 C ATOM 1572 CE LYS A 101 -7.628 -7.571 2.682 1.00 0.29 C ATOM 1573 NZ LYS A 101 -7.473 -8.028 4.084 1.00 0.79 N ATOM 0 H LYS A 101 -9.917 -3.372 0.322 1.00 0.08 H new ATOM 0 HA LYS A 101 -7.792 -4.389 -1.071 1.00 0.09 H new ATOM 0 HB2 LYS A 101 -8.449 -4.356 1.480 1.00 0.10 H new ATOM 0 HB3 LYS A 101 -9.156 -5.925 1.149 1.00 0.10 H new ATOM 0 HG2 LYS A 101 -6.948 -6.710 0.280 1.00 0.14 H new ATOM 0 HG3 LYS A 101 -6.254 -5.153 0.687 1.00 0.14 H new ATOM 0 HD2 LYS A 101 -5.739 -6.567 2.525 1.00 0.19 H new ATOM 0 HD3 LYS A 101 -7.049 -5.545 3.083 1.00 0.19 H new ATOM 0 HE2 LYS A 101 -8.678 -7.353 2.488 1.00 0.29 H new ATOM 0 HE3 LYS A 101 -7.339 -8.376 2.006 1.00 0.29 H new ATOM 0 HZ1 LYS A 101 -8.061 -8.871 4.241 1.00 0.79 H new ATOM 0 HZ2 LYS A 101 -6.476 -8.262 4.265 1.00 0.79 H new ATOM 0 HZ3 LYS A 101 -7.773 -7.271 4.731 1.00 0.79 H new ATOM 1587 N MET A 102 -10.413 -6.414 -1.058 1.00 0.09 N ATOM 1588 CA MET A 102 -11.076 -7.529 -1.729 1.00 0.11 C ATOM 1589 C MET A 102 -11.040 -7.363 -3.242 1.00 0.11 C ATOM 1590 O MET A 102 -10.613 -8.261 -3.964 1.00 0.16 O ATOM 1591 CB MET A 102 -12.526 -7.603 -1.258 1.00 0.13 C ATOM 1592 CG MET A 102 -13.341 -8.695 -1.916 1.00 0.28 C ATOM 1593 SD MET A 102 -15.114 -8.421 -1.776 1.00 0.27 S ATOM 1594 CE MET A 102 -15.317 -7.049 -2.908 1.00 0.28 C ATOM 0 H MET A 102 -10.969 -5.995 -0.313 1.00 0.09 H new ATOM 0 HA MET A 102 -10.549 -8.449 -1.477 1.00 0.11 H new ATOM 0 HB2 MET A 102 -12.538 -7.758 -0.179 1.00 0.13 H new ATOM 0 HB3 MET A 102 -13.007 -6.643 -1.448 1.00 0.13 H new ATOM 0 HG2 MET A 102 -13.070 -8.760 -2.970 1.00 0.28 H new ATOM 0 HG3 MET A 102 -13.089 -9.654 -1.463 1.00 0.28 H new ATOM 0 HE1 MET A 102 -16.345 -7.024 -3.269 1.00 0.28 H new ATOM 0 HE2 MET A 102 -15.091 -6.116 -2.393 1.00 0.28 H new ATOM 0 HE3 MET A 102 -14.639 -7.171 -3.752 1.00 0.28 H new ATOM 1604 N THR A 103 -11.490 -6.206 -3.711 1.00 0.09 N ATOM 1605 CA THR A 103 -11.487 -5.902 -5.130 1.00 0.10 C ATOM 1606 C THR A 103 -10.065 -5.956 -5.676 1.00 0.09 C ATOM 1607 O THR A 103 -9.772 -6.715 -6.595 1.00 0.10 O ATOM 1608 CB THR A 103 -12.081 -4.508 -5.392 1.00 0.12 C ATOM 1609 OG1 THR A 103 -13.346 -4.383 -4.725 1.00 0.18 O ATOM 1610 CG2 THR A 103 -12.254 -4.262 -6.884 1.00 0.16 C ATOM 0 H THR A 103 -11.863 -5.461 -3.123 1.00 0.09 H new ATOM 0 HA THR A 103 -12.101 -6.647 -5.636 1.00 0.10 H new ATOM 0 HB THR A 103 -11.390 -3.761 -5.000 1.00 0.12 H new ATOM 0 HG1 THR A 103 -13.199 -4.134 -3.789 1.00 0.18 H new ATOM 0 HG21 THR A 103 -12.676 -3.269 -7.043 1.00 0.16 H new ATOM 0 HG22 THR A 103 -11.285 -4.328 -7.378 1.00 0.16 H new ATOM 0 HG23 THR A 103 -12.926 -5.012 -7.301 1.00 0.16 H new ATOM 1618 N LEU A 104 -9.195 -5.154 -5.070 1.00 0.08 N ATOM 1619 CA LEU A 104 -7.770 -5.114 -5.397 1.00 0.08 C ATOM 1620 C LEU A 104 -7.206 -6.523 -5.514 1.00 0.09 C ATOM 1621 O LEU A 104 -6.621 -6.892 -6.522 1.00 0.09 O ATOM 1622 CB LEU A 104 -7.037 -4.375 -4.279 1.00 0.08 C ATOM 1623 CG LEU A 104 -7.507 -2.950 -4.019 1.00 0.08 C ATOM 1624 CD1 LEU A 104 -7.024 -2.486 -2.661 1.00 0.09 C ATOM 1625 CD2 LEU A 104 -7.013 -2.009 -5.100 1.00 0.08 C ATOM 0 H LEU A 104 -9.461 -4.505 -4.329 1.00 0.08 H new ATOM 0 HA LEU A 104 -7.635 -4.604 -6.351 1.00 0.08 H new ATOM 0 HB2 LEU A 104 -7.143 -4.948 -3.358 1.00 0.08 H new ATOM 0 HB3 LEU A 104 -5.974 -4.351 -4.519 1.00 0.08 H new ATOM 0 HG LEU A 104 -8.597 -2.940 -4.034 1.00 0.08 H new ATOM 0 HD11 LEU A 104 -7.364 -1.466 -2.483 1.00 0.09 H new ATOM 0 HD12 LEU A 104 -7.425 -3.142 -1.889 1.00 0.09 H new ATOM 0 HD13 LEU A 104 -5.935 -2.515 -2.633 1.00 0.09 H new ATOM 0 HD21 LEU A 104 -7.363 -0.998 -4.890 1.00 0.08 H new ATOM 0 HD22 LEU A 104 -5.923 -2.019 -5.121 1.00 0.08 H new ATOM 0 HD23 LEU A 104 -7.397 -2.332 -6.067 1.00 0.08 H new ATOM 1637 N GLN A 105 -7.406 -7.287 -4.456 1.00 0.10 N ATOM 1638 CA GLN A 105 -6.987 -8.686 -4.375 1.00 0.11 C ATOM 1639 C GLN A 105 -7.468 -9.510 -5.568 1.00 0.12 C ATOM 1640 O GLN A 105 -6.692 -10.268 -6.156 1.00 0.15 O ATOM 1641 CB GLN A 105 -7.507 -9.302 -3.075 1.00 0.13 C ATOM 1642 CG GLN A 105 -6.725 -8.863 -1.851 1.00 0.20 C ATOM 1643 CD GLN A 105 -7.251 -9.458 -0.563 1.00 0.27 C ATOM 1644 OE1 GLN A 105 -8.446 -9.712 -0.421 1.00 1.08 O ATOM 1645 NE2 GLN A 105 -6.357 -9.699 0.382 1.00 1.20 N ATOM 0 H GLN A 105 -7.871 -6.953 -3.612 1.00 0.10 H new ATOM 0 HA GLN A 105 -5.897 -8.703 -4.391 1.00 0.11 H new ATOM 0 HB2 GLN A 105 -8.555 -9.031 -2.945 1.00 0.13 H new ATOM 0 HB3 GLN A 105 -7.467 -10.388 -3.154 1.00 0.13 H new ATOM 0 HG2 GLN A 105 -5.680 -9.147 -1.975 1.00 0.20 H new ATOM 0 HG3 GLN A 105 -6.754 -7.776 -1.780 1.00 0.20 H new ATOM 0 HE21 GLN A 105 -5.375 -9.473 0.224 1.00 1.20 H new ATOM 0 HE22 GLN A 105 -6.650 -10.110 1.268 1.00 1.20 H new ATOM 1654 N GLN A 106 -8.738 -9.362 -5.929 1.00 0.12 N ATOM 1655 CA GLN A 106 -9.299 -10.115 -7.042 1.00 0.15 C ATOM 1656 C GLN A 106 -8.662 -9.667 -8.344 1.00 0.14 C ATOM 1657 O GLN A 106 -8.434 -10.463 -9.255 1.00 0.23 O ATOM 1658 CB GLN A 106 -10.808 -9.938 -7.110 1.00 0.21 C ATOM 1659 CG GLN A 106 -11.513 -10.529 -5.909 1.00 0.33 C ATOM 1660 CD GLN A 106 -11.146 -11.983 -5.660 1.00 1.51 C ATOM 1661 OE1 GLN A 106 -11.074 -12.427 -4.514 1.00 2.22 O ATOM 1662 NE2 GLN A 106 -10.941 -12.744 -6.726 1.00 2.37 N ATOM 0 H GLN A 106 -9.394 -8.731 -5.469 1.00 0.12 H new ATOM 0 HA GLN A 106 -9.086 -11.172 -6.884 1.00 0.15 H new ATOM 0 HB2 GLN A 106 -11.044 -8.876 -7.180 1.00 0.21 H new ATOM 0 HB3 GLN A 106 -11.186 -10.409 -8.018 1.00 0.21 H new ATOM 0 HG2 GLN A 106 -11.267 -9.941 -5.025 1.00 0.33 H new ATOM 0 HG3 GLN A 106 -12.591 -10.452 -6.053 1.00 0.33 H new ATOM 0 HE21 GLN A 106 -11.009 -12.341 -7.661 1.00 2.37 H new ATOM 0 HE22 GLN A 106 -10.715 -13.732 -6.611 1.00 2.37 H new ATOM 1671 N ILE A 107 -8.364 -8.383 -8.398 1.00 0.09 N ATOM 1672 CA ILE A 107 -7.737 -7.776 -9.550 1.00 0.09 C ATOM 1673 C ILE A 107 -6.278 -8.212 -9.670 1.00 0.08 C ATOM 1674 O ILE A 107 -5.821 -8.589 -10.747 1.00 0.10 O ATOM 1675 CB ILE A 107 -7.819 -6.242 -9.455 1.00 0.09 C ATOM 1676 CG1 ILE A 107 -9.283 -5.802 -9.339 1.00 0.10 C ATOM 1677 CG2 ILE A 107 -7.147 -5.598 -10.648 1.00 0.11 C ATOM 1678 CD1 ILE A 107 -9.512 -4.335 -9.629 1.00 0.15 C ATOM 0 H ILE A 107 -8.552 -7.730 -7.637 1.00 0.09 H new ATOM 0 HA ILE A 107 -8.271 -8.108 -10.440 1.00 0.09 H new ATOM 0 HB ILE A 107 -7.290 -5.914 -8.560 1.00 0.09 H new ATOM 0 HG12 ILE A 107 -9.885 -6.396 -10.027 1.00 0.10 H new ATOM 0 HG13 ILE A 107 -9.639 -6.022 -8.332 1.00 0.10 H new ATOM 0 HG21 ILE A 107 -7.215 -4.514 -10.563 1.00 0.11 H new ATOM 0 HG22 ILE A 107 -6.098 -5.894 -10.679 1.00 0.11 H new ATOM 0 HG23 ILE A 107 -7.642 -5.922 -11.563 1.00 0.11 H new ATOM 0 HD11 ILE A 107 -10.572 -4.105 -9.525 1.00 0.15 H new ATOM 0 HD12 ILE A 107 -8.939 -3.731 -8.925 1.00 0.15 H new ATOM 0 HD13 ILE A 107 -9.190 -4.110 -10.646 1.00 0.15 H new ATOM 1690 N ILE A 108 -5.559 -8.170 -8.555 1.00 0.08 N ATOM 1691 CA ILE A 108 -4.157 -8.566 -8.521 1.00 0.09 C ATOM 1692 C ILE A 108 -3.981 -10.008 -8.960 1.00 0.14 C ATOM 1693 O ILE A 108 -3.068 -10.318 -9.713 1.00 0.19 O ATOM 1694 CB ILE A 108 -3.545 -8.396 -7.123 1.00 0.09 C ATOM 1695 CG1 ILE A 108 -3.558 -6.926 -6.732 1.00 0.08 C ATOM 1696 CG2 ILE A 108 -2.123 -8.941 -7.086 1.00 0.11 C ATOM 1697 CD1 ILE A 108 -2.623 -6.609 -5.604 1.00 0.10 C ATOM 0 H ILE A 108 -5.928 -7.863 -7.655 1.00 0.08 H new ATOM 0 HA ILE A 108 -3.637 -7.906 -9.216 1.00 0.09 H new ATOM 0 HB ILE A 108 -4.143 -8.962 -6.408 1.00 0.09 H new ATOM 0 HG12 ILE A 108 -3.289 -6.323 -7.599 1.00 0.08 H new ATOM 0 HG13 ILE A 108 -4.571 -6.641 -6.447 1.00 0.08 H new ATOM 0 HG21 ILE A 108 -1.709 -8.810 -6.086 1.00 0.11 H new ATOM 0 HG22 ILE A 108 -2.133 -10.001 -7.339 1.00 0.11 H new ATOM 0 HG23 ILE A 108 -1.508 -8.402 -7.807 1.00 0.11 H new ATOM 0 HD11 ILE A 108 -2.679 -5.545 -5.373 1.00 0.10 H new ATOM 0 HD12 ILE A 108 -2.905 -7.187 -4.724 1.00 0.10 H new ATOM 0 HD13 ILE A 108 -1.604 -6.864 -5.894 1.00 0.10 H new ATOM 1709 N SER A 109 -4.868 -10.880 -8.498 1.00 0.16 N ATOM 1710 CA SER A 109 -4.785 -12.304 -8.808 1.00 0.23 C ATOM 1711 C SER A 109 -4.792 -12.541 -10.323 1.00 0.20 C ATOM 1712 O SER A 109 -4.205 -13.511 -10.808 1.00 0.23 O ATOM 1713 CB SER A 109 -5.940 -13.055 -8.138 1.00 0.33 C ATOM 1714 OG SER A 109 -5.816 -14.457 -8.310 1.00 1.14 O ATOM 0 H SER A 109 -5.657 -10.626 -7.904 1.00 0.16 H new ATOM 0 HA SER A 109 -3.842 -12.686 -8.417 1.00 0.23 H new ATOM 0 HB2 SER A 109 -5.961 -12.818 -7.074 1.00 0.33 H new ATOM 0 HB3 SER A 109 -6.887 -12.718 -8.559 1.00 0.33 H new ATOM 0 HG SER A 109 -6.567 -14.908 -7.870 1.00 1.14 H new ATOM 1720 N ARG A 110 -5.424 -11.635 -11.067 1.00 0.17 N ATOM 1721 CA ARG A 110 -5.441 -11.712 -12.527 1.00 0.18 C ATOM 1722 C ARG A 110 -4.017 -11.630 -13.069 1.00 0.20 C ATOM 1723 O ARG A 110 -3.647 -12.333 -14.010 1.00 0.32 O ATOM 1724 CB ARG A 110 -6.277 -10.572 -13.112 1.00 0.18 C ATOM 1725 CG ARG A 110 -7.692 -10.497 -12.562 1.00 0.18 C ATOM 1726 CD ARG A 110 -8.438 -9.296 -13.118 1.00 0.19 C ATOM 1727 NE ARG A 110 -9.804 -9.211 -12.601 1.00 0.78 N ATOM 1728 CZ ARG A 110 -10.642 -8.203 -12.850 1.00 0.98 C ATOM 1729 NH1 ARG A 110 -10.259 -7.176 -13.604 1.00 0.62 N ATOM 1730 NH2 ARG A 110 -11.869 -8.225 -12.343 1.00 1.64 N ATOM 0 H ARG A 110 -5.932 -10.838 -10.682 1.00 0.17 H new ATOM 0 HA ARG A 110 -5.886 -12.663 -12.819 1.00 0.18 H new ATOM 0 HB2 ARG A 110 -5.771 -9.627 -12.915 1.00 0.18 H new ATOM 0 HB3 ARG A 110 -6.325 -10.689 -14.195 1.00 0.18 H new ATOM 0 HG2 ARG A 110 -8.231 -11.411 -12.813 1.00 0.18 H new ATOM 0 HG3 ARG A 110 -7.659 -10.435 -11.474 1.00 0.18 H new ATOM 0 HD2 ARG A 110 -7.897 -8.384 -12.864 1.00 0.19 H new ATOM 0 HD3 ARG A 110 -8.465 -9.358 -14.206 1.00 0.19 H new ATOM 0 HE ARG A 110 -10.138 -9.973 -12.011 1.00 0.78 H new ATOM 0 HH11 ARG A 110 -9.318 -7.155 -13.997 1.00 0.62 H new ATOM 0 HH12 ARG A 110 -10.906 -6.410 -13.789 1.00 0.62 H new ATOM 0 HH21 ARG A 110 -12.168 -9.011 -11.765 1.00 1.64 H new ATOM 0 HH22 ARG A 110 -12.512 -7.456 -12.531 1.00 1.64 H new ATOM 1744 N TYR A 111 -3.221 -10.779 -12.440 1.00 0.16 N ATOM 1745 CA TYR A 111 -1.840 -10.555 -12.835 1.00 0.19 C ATOM 1746 C TYR A 111 -0.910 -11.440 -12.019 1.00 0.30 C ATOM 1747 O TYR A 111 0.251 -11.632 -12.366 1.00 0.65 O ATOM 1748 CB TYR A 111 -1.489 -9.094 -12.611 1.00 0.16 C ATOM 1749 CG TYR A 111 -2.562 -8.153 -13.091 1.00 0.16 C ATOM 1750 CD1 TYR A 111 -2.843 -8.038 -14.441 1.00 0.22 C ATOM 1751 CD2 TYR A 111 -3.292 -7.378 -12.200 1.00 0.21 C ATOM 1752 CE1 TYR A 111 -3.820 -7.183 -14.893 1.00 0.29 C ATOM 1753 CE2 TYR A 111 -4.273 -6.517 -12.648 1.00 0.28 C ATOM 1754 CZ TYR A 111 -4.539 -6.415 -13.954 1.00 0.32 C ATOM 1755 OH TYR A 111 -5.508 -5.578 -14.458 1.00 0.39 O ATOM 0 H TYR A 111 -3.517 -10.222 -11.638 1.00 0.16 H new ATOM 0 HA TYR A 111 -1.721 -10.804 -13.889 1.00 0.19 H new ATOM 0 HB2 TYR A 111 -1.315 -8.926 -11.548 1.00 0.16 H new ATOM 0 HB3 TYR A 111 -0.556 -8.867 -13.127 1.00 0.16 H new ATOM 0 HD1 TYR A 111 -2.285 -8.630 -15.152 1.00 0.22 H new ATOM 0 HD2 TYR A 111 -3.089 -7.450 -11.142 1.00 0.21 H new ATOM 0 HE1 TYR A 111 -4.033 -7.101 -15.949 1.00 0.29 H new ATOM 0 HE2 TYR A 111 -4.829 -5.922 -11.939 1.00 0.28 H new ATOM 0 HH TYR A 111 -6.226 -5.474 -13.799 1.00 0.39 H new ATOM 1765 N LYS A 112 -1.437 -11.965 -10.925 1.00 0.20 N ATOM 1766 CA LYS A 112 -0.702 -12.886 -10.073 1.00 0.24 C ATOM 1767 C LYS A 112 -0.560 -14.221 -10.791 1.00 0.31 C ATOM 1768 O LYS A 112 0.398 -14.964 -10.581 1.00 0.40 O ATOM 1769 CB LYS A 112 -1.431 -13.068 -8.742 1.00 0.26 C ATOM 1770 CG LYS A 112 -0.566 -13.663 -7.647 1.00 0.67 C ATOM 1771 CD LYS A 112 -0.340 -12.686 -6.501 1.00 0.44 C ATOM 1772 CE LYS A 112 0.512 -11.489 -6.905 1.00 0.49 C ATOM 1773 NZ LYS A 112 1.904 -11.881 -7.254 1.00 0.76 N ATOM 0 H LYS A 112 -2.384 -11.766 -10.603 1.00 0.20 H new ATOM 0 HA LYS A 112 0.289 -12.482 -9.865 1.00 0.24 H new ATOM 0 HB2 LYS A 112 -1.808 -12.101 -8.409 1.00 0.26 H new ATOM 0 HB3 LYS A 112 -2.297 -13.711 -8.898 1.00 0.26 H new ATOM 0 HG2 LYS A 112 -1.038 -14.568 -7.264 1.00 0.67 H new ATOM 0 HG3 LYS A 112 0.396 -13.959 -8.066 1.00 0.67 H new ATOM 0 HD2 LYS A 112 -1.304 -12.333 -6.135 1.00 0.44 H new ATOM 0 HD3 LYS A 112 0.143 -13.208 -5.675 1.00 0.44 H new ATOM 0 HE2 LYS A 112 0.052 -10.990 -7.758 1.00 0.49 H new ATOM 0 HE3 LYS A 112 0.534 -10.768 -6.088 1.00 0.49 H new ATOM 0 HZ1 LYS A 112 2.563 -11.141 -6.937 1.00 0.76 H new ATOM 0 HZ2 LYS A 112 2.140 -12.779 -6.785 1.00 0.76 H new ATOM 0 HZ3 LYS A 112 1.984 -11.997 -8.284 1.00 0.76 H new