USER MOD reduce.3.24.130724 H: found=0, std=0, add=424, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 426 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 62 THR OG1 : rot 92:sc= 0.736 USER MOD Set 1.2: A 101 SER OG : rot 180:sc= 0.883 USER MOD Set 2.1: A 49 GLN : amide:sc= 0 X(o=-1,f=-0.58) USER MOD Set 2.2: A 53 ASN : amide:sc= -1 K(o=-1,f=-0.24) USER MOD Single : A 51 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 60 ASN : amide:sc= -3.68! K(o=-3.7!,f=0.21) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 MET CE :methyl 159:sc= -0.168 (180deg=-0.726) USER MOD Single : A 72 MET CE :methyl 169:sc= -0.545 (180deg=-0.857) USER MOD Single : A 94 LYS NZ :NH3+ 150:sc= 0.924 (180deg=-0.407!) USER MOD Single : A 97 ASN : amide:sc= -5.07! K(o=-5.1!,f=-1.6) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 107 HIS : no HD1:sc= -0.167 X(o=-0.17,f=-0.3) USER MOD Single : A 109 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 110 THR OG1 : rot 180:sc= 0 USER MOD Single : A 111 ASN : amide:sc= -2.28! C(o=-2.3!,f=-3.6!) USER MOD ----------------------------------------------------------------- ATOM 28 N LEU A 48 13.581 -0.503 -1.713 1.00 0.00 N ATOM 29 CA LEU A 48 12.378 0.253 -2.045 1.00 0.00 C ATOM 30 C LEU A 48 12.230 1.527 -1.215 1.00 0.00 C ATOM 31 O LEU A 48 11.195 2.189 -1.286 1.00 0.00 O ATOM 32 CB LEU A 48 11.136 -0.629 -1.895 1.00 0.00 C ATOM 33 CG LEU A 48 10.798 -1.500 -3.114 1.00 0.00 C ATOM 34 CD1 LEU A 48 10.398 -0.632 -4.297 1.00 0.00 C ATOM 35 CD2 LEU A 48 11.970 -2.390 -3.492 1.00 0.00 C ATOM 0 HA LEU A 48 12.478 0.565 -3.085 1.00 0.00 H new ATOM 0 HB2 LEU A 48 11.275 -1.280 -1.032 1.00 0.00 H new ATOM 0 HB3 LEU A 48 10.281 0.011 -1.678 1.00 0.00 H new ATOM 0 HG LEU A 48 9.956 -2.138 -2.845 1.00 0.00 H new ATOM 0 HD11 LEU A 48 10.162 -1.267 -5.151 1.00 0.00 H new ATOM 0 HD12 LEU A 48 9.522 -0.039 -4.033 1.00 0.00 H new ATOM 0 HD13 LEU A 48 11.222 0.033 -4.556 1.00 0.00 H new ATOM 0 HD21 LEU A 48 11.703 -2.996 -4.358 1.00 0.00 H new ATOM 0 HD22 LEU A 48 12.834 -1.771 -3.735 1.00 0.00 H new ATOM 0 HD23 LEU A 48 12.216 -3.043 -2.655 1.00 0.00 H new ATOM 47 N GLN A 49 13.240 1.845 -0.408 1.00 0.00 N ATOM 48 CA GLN A 49 13.197 3.017 0.471 1.00 0.00 C ATOM 49 C GLN A 49 12.803 4.285 -0.296 1.00 0.00 C ATOM 50 O GLN A 49 12.025 5.096 0.204 1.00 0.00 O ATOM 51 CB GLN A 49 14.551 3.228 1.150 1.00 0.00 C ATOM 52 CG GLN A 49 14.562 4.410 2.106 1.00 0.00 C ATOM 53 CD GLN A 49 15.930 4.682 2.701 1.00 0.00 C ATOM 54 OE1 GLN A 49 16.738 3.772 2.877 1.00 0.00 O ATOM 55 NE2 GLN A 49 16.193 5.938 3.020 1.00 0.00 N ATOM 0 H GLN A 49 14.103 1.306 -0.343 1.00 0.00 H new ATOM 0 HA GLN A 49 12.437 2.826 1.229 1.00 0.00 H new ATOM 0 HB2 GLN A 49 14.821 2.324 1.696 1.00 0.00 H new ATOM 0 HB3 GLN A 49 15.314 3.379 0.386 1.00 0.00 H new ATOM 0 HG2 GLN A 49 14.219 5.300 1.578 1.00 0.00 H new ATOM 0 HG3 GLN A 49 13.852 4.224 2.912 1.00 0.00 H new ATOM 0 HE21 GLN A 49 15.494 6.663 2.857 1.00 0.00 H new ATOM 0 HE22 GLN A 49 17.095 6.182 3.429 1.00 0.00 H new ATOM 64 N ASP A 50 13.325 4.446 -1.510 1.00 0.00 N ATOM 65 CA ASP A 50 12.970 5.595 -2.346 1.00 0.00 C ATOM 66 C ASP A 50 11.468 5.631 -2.603 1.00 0.00 C ATOM 67 O ASP A 50 10.824 6.671 -2.442 1.00 0.00 O ATOM 68 CB ASP A 50 13.724 5.557 -3.678 1.00 0.00 C ATOM 69 CG ASP A 50 13.181 6.563 -4.675 1.00 0.00 C ATOM 70 OD1 ASP A 50 13.324 7.783 -4.439 1.00 0.00 O ATOM 71 OD2 ASP A 50 12.607 6.135 -5.700 1.00 0.00 O ATOM 0 H ASP A 50 13.991 3.801 -1.936 1.00 0.00 H new ATOM 0 HA ASP A 50 13.258 6.498 -1.808 1.00 0.00 H new ATOM 0 HB2 ASP A 50 14.781 5.758 -3.501 1.00 0.00 H new ATOM 0 HB3 ASP A 50 13.657 4.555 -4.103 1.00 0.00 H new ATOM 76 N MET A 51 10.914 4.487 -2.979 1.00 0.00 N ATOM 77 CA MET A 51 9.483 4.369 -3.229 1.00 0.00 C ATOM 78 C MET A 51 8.691 4.613 -1.944 1.00 0.00 C ATOM 79 O MET A 51 7.580 5.138 -1.983 1.00 0.00 O ATOM 80 CB MET A 51 9.153 2.991 -3.814 1.00 0.00 C ATOM 81 CG MET A 51 7.667 2.765 -4.068 1.00 0.00 C ATOM 82 SD MET A 51 6.968 3.933 -5.247 1.00 0.00 S ATOM 83 CE MET A 51 5.244 3.445 -5.219 1.00 0.00 C ATOM 0 H MET A 51 11.437 3.622 -3.118 1.00 0.00 H new ATOM 0 HA MET A 51 9.196 5.129 -3.956 1.00 0.00 H new ATOM 0 HB2 MET A 51 9.694 2.867 -4.752 1.00 0.00 H new ATOM 0 HB3 MET A 51 9.516 2.222 -3.132 1.00 0.00 H new ATOM 0 HG2 MET A 51 7.518 1.751 -4.438 1.00 0.00 H new ATOM 0 HG3 MET A 51 7.127 2.843 -3.124 1.00 0.00 H new ATOM 0 HE1 MET A 51 4.676 4.077 -5.901 1.00 0.00 H new ATOM 0 HE2 MET A 51 5.155 2.404 -5.530 1.00 0.00 H new ATOM 0 HE3 MET A 51 4.851 3.556 -4.209 1.00 0.00 H new ATOM 93 N ILE A 52 9.277 4.242 -0.807 1.00 0.00 N ATOM 94 CA ILE A 52 8.669 4.523 0.491 1.00 0.00 C ATOM 95 C ILE A 52 8.568 6.030 0.684 1.00 0.00 C ATOM 96 O ILE A 52 7.508 6.559 0.994 1.00 0.00 O ATOM 97 CB ILE A 52 9.488 3.924 1.665 1.00 0.00 C ATOM 98 CG1 ILE A 52 9.553 2.398 1.564 1.00 0.00 C ATOM 99 CG2 ILE A 52 8.887 4.342 3.001 1.00 0.00 C ATOM 100 CD1 ILE A 52 10.400 1.751 2.640 1.00 0.00 C ATOM 0 H ILE A 52 10.168 3.748 -0.759 1.00 0.00 H new ATOM 0 HA ILE A 52 7.682 4.060 0.497 1.00 0.00 H new ATOM 0 HB ILE A 52 10.504 4.313 1.602 1.00 0.00 H new ATOM 0 HG12 ILE A 52 8.541 1.996 1.620 1.00 0.00 H new ATOM 0 HG13 ILE A 52 9.951 2.124 0.587 1.00 0.00 H new ATOM 0 HG21 ILE A 52 9.473 3.913 3.814 1.00 0.00 H new ATOM 0 HG22 ILE A 52 8.897 5.429 3.080 1.00 0.00 H new ATOM 0 HG23 ILE A 52 7.860 3.983 3.066 1.00 0.00 H new ATOM 0 HD11 ILE A 52 10.398 0.670 2.503 1.00 0.00 H new ATOM 0 HD12 ILE A 52 11.422 2.124 2.572 1.00 0.00 H new ATOM 0 HD13 ILE A 52 9.990 1.993 3.620 1.00 0.00 H new ATOM 112 N ASN A 53 9.676 6.708 0.437 1.00 0.00 N ATOM 113 CA ASN A 53 9.763 8.149 0.637 1.00 0.00 C ATOM 114 C ASN A 53 8.898 8.895 -0.374 1.00 0.00 C ATOM 115 O ASN A 53 8.551 10.057 -0.171 1.00 0.00 O ATOM 116 CB ASN A 53 11.219 8.607 0.530 1.00 0.00 C ATOM 117 CG ASN A 53 12.110 7.979 1.589 1.00 0.00 C ATOM 118 OD1 ASN A 53 13.297 7.746 1.357 1.00 0.00 O ATOM 119 ND2 ASN A 53 11.551 7.705 2.759 1.00 0.00 N ATOM 0 H ASN A 53 10.537 6.281 0.094 1.00 0.00 H new ATOM 0 HA ASN A 53 9.390 8.379 1.635 1.00 0.00 H new ATOM 0 HB2 ASN A 53 11.603 8.355 -0.458 1.00 0.00 H new ATOM 0 HB3 ASN A 53 11.262 9.692 0.622 1.00 0.00 H new ATOM 0 HD21 ASN A 53 12.107 7.287 3.505 1.00 0.00 H new ATOM 0 HD22 ASN A 53 10.564 7.912 2.914 1.00 0.00 H new ATOM 126 N GLU A 54 8.559 8.221 -1.466 1.00 0.00 N ATOM 127 CA GLU A 54 7.709 8.794 -2.502 1.00 0.00 C ATOM 128 C GLU A 54 6.236 8.660 -2.111 1.00 0.00 C ATOM 129 O GLU A 54 5.454 9.603 -2.237 1.00 0.00 O ATOM 130 CB GLU A 54 7.982 8.061 -3.825 1.00 0.00 C ATOM 131 CG GLU A 54 7.564 8.813 -5.084 1.00 0.00 C ATOM 132 CD GLU A 54 6.067 8.830 -5.322 1.00 0.00 C ATOM 133 OE1 GLU A 54 5.475 7.748 -5.513 1.00 0.00 O ATOM 134 OE2 GLU A 54 5.481 9.934 -5.366 1.00 0.00 O ATOM 0 H GLU A 54 8.864 7.267 -1.658 1.00 0.00 H new ATOM 0 HA GLU A 54 7.933 9.854 -2.619 1.00 0.00 H new ATOM 0 HB2 GLU A 54 9.048 7.844 -3.888 1.00 0.00 H new ATOM 0 HB3 GLU A 54 7.463 7.103 -3.805 1.00 0.00 H new ATOM 0 HG2 GLU A 54 7.923 9.840 -5.018 1.00 0.00 H new ATOM 0 HG3 GLU A 54 8.054 8.359 -5.946 1.00 0.00 H new ATOM 141 N VAL A 55 5.886 7.490 -1.599 1.00 0.00 N ATOM 142 CA VAL A 55 4.492 7.165 -1.318 1.00 0.00 C ATOM 143 C VAL A 55 4.051 7.710 0.030 1.00 0.00 C ATOM 144 O VAL A 55 2.891 8.078 0.226 1.00 0.00 O ATOM 145 CB VAL A 55 4.270 5.639 -1.335 1.00 0.00 C ATOM 146 CG1 VAL A 55 4.850 4.956 -0.103 1.00 0.00 C ATOM 147 CG2 VAL A 55 2.797 5.323 -1.490 1.00 0.00 C ATOM 0 H VAL A 55 6.547 6.748 -1.369 1.00 0.00 H new ATOM 0 HA VAL A 55 3.895 7.632 -2.101 1.00 0.00 H new ATOM 0 HB VAL A 55 4.807 5.240 -2.195 1.00 0.00 H new ATOM 0 HG11 VAL A 55 4.668 3.883 -0.162 1.00 0.00 H new ATOM 0 HG12 VAL A 55 5.923 5.140 -0.056 1.00 0.00 H new ATOM 0 HG13 VAL A 55 4.374 5.356 0.793 1.00 0.00 H new ATOM 0 HG21 VAL A 55 2.656 4.242 -1.500 1.00 0.00 H new ATOM 0 HG22 VAL A 55 2.243 5.753 -0.656 1.00 0.00 H new ATOM 0 HG23 VAL A 55 2.431 5.746 -2.426 1.00 0.00 H new ATOM 157 N ASP A 56 4.993 7.754 0.942 1.00 0.00 N ATOM 158 CA ASP A 56 4.742 8.182 2.293 1.00 0.00 C ATOM 159 C ASP A 56 4.345 9.639 2.342 1.00 0.00 C ATOM 160 O ASP A 56 5.051 10.519 1.845 1.00 0.00 O ATOM 161 CB ASP A 56 5.972 7.915 3.120 1.00 0.00 C ATOM 162 CG ASP A 56 5.668 7.890 4.599 1.00 0.00 C ATOM 163 OD1 ASP A 56 4.570 8.324 4.985 1.00 0.00 O ATOM 164 OD2 ASP A 56 6.527 7.436 5.387 1.00 0.00 O ATOM 0 H ASP A 56 5.962 7.491 0.763 1.00 0.00 H new ATOM 0 HA ASP A 56 3.904 7.619 2.704 1.00 0.00 H new ATOM 0 HB2 ASP A 56 6.407 6.961 2.824 1.00 0.00 H new ATOM 0 HB3 ASP A 56 6.719 8.683 2.917 1.00 0.00 H new ATOM 169 N ALA A 57 3.192 9.870 2.929 1.00 0.00 N ATOM 170 CA ALA A 57 2.605 11.199 2.963 1.00 0.00 C ATOM 171 C ALA A 57 2.911 11.902 4.277 1.00 0.00 C ATOM 172 O ALA A 57 3.095 13.121 4.314 1.00 0.00 O ATOM 173 CB ALA A 57 1.106 11.123 2.734 1.00 0.00 C ATOM 0 H ALA A 57 2.636 9.152 3.393 1.00 0.00 H new ATOM 0 HA ALA A 57 3.051 11.785 2.159 1.00 0.00 H new ATOM 0 HB1 ALA A 57 0.682 12.127 2.763 1.00 0.00 H new ATOM 0 HB2 ALA A 57 0.909 10.674 1.761 1.00 0.00 H new ATOM 0 HB3 ALA A 57 0.649 10.514 3.514 1.00 0.00 H new ATOM 179 N ASP A 58 2.989 11.132 5.353 1.00 0.00 N ATOM 180 CA ASP A 58 3.198 11.701 6.677 1.00 0.00 C ATOM 181 C ASP A 58 4.490 11.187 7.296 1.00 0.00 C ATOM 182 O ASP A 58 4.795 11.487 8.450 1.00 0.00 O ATOM 183 CB ASP A 58 1.994 11.449 7.601 1.00 0.00 C ATOM 184 CG ASP A 58 1.595 9.989 7.735 1.00 0.00 C ATOM 185 OD1 ASP A 58 1.993 9.165 6.899 1.00 0.00 O ATOM 186 OD2 ASP A 58 0.920 9.606 8.698 1.00 0.00 O ATOM 0 H ASP A 58 2.911 10.115 5.336 1.00 0.00 H new ATOM 0 HA ASP A 58 3.291 12.780 6.558 1.00 0.00 H new ATOM 0 HB2 ASP A 58 2.224 11.842 8.591 1.00 0.00 H new ATOM 0 HB3 ASP A 58 1.140 12.013 7.225 1.00 0.00 H new ATOM 191 N GLY A 59 5.257 10.425 6.525 1.00 0.00 N ATOM 192 CA GLY A 59 6.583 10.028 6.961 1.00 0.00 C ATOM 193 C GLY A 59 6.578 8.981 8.055 1.00 0.00 C ATOM 194 O GLY A 59 7.500 8.932 8.870 1.00 0.00 O ATOM 0 H GLY A 59 4.985 10.075 5.606 1.00 0.00 H new ATOM 0 HA2 GLY A 59 7.137 9.643 6.105 1.00 0.00 H new ATOM 0 HA3 GLY A 59 7.118 10.909 7.316 1.00 0.00 H new ATOM 198 N ASN A 60 5.545 8.151 8.089 1.00 0.00 N ATOM 199 CA ASN A 60 5.474 7.066 9.064 1.00 0.00 C ATOM 200 C ASN A 60 6.164 5.788 8.566 1.00 0.00 C ATOM 201 O ASN A 60 6.145 4.765 9.250 1.00 0.00 O ATOM 202 CB ASN A 60 4.016 6.769 9.466 1.00 0.00 C ATOM 203 CG ASN A 60 3.029 6.714 8.302 1.00 0.00 C ATOM 204 OD1 ASN A 60 1.826 6.904 8.489 1.00 0.00 O ATOM 205 ND2 ASN A 60 3.516 6.518 7.091 1.00 0.00 N ATOM 0 H ASN A 60 4.747 8.206 7.457 1.00 0.00 H new ATOM 0 HA ASN A 60 6.015 7.407 9.947 1.00 0.00 H new ATOM 0 HB2 ASN A 60 3.987 5.816 9.994 1.00 0.00 H new ATOM 0 HB3 ASN A 60 3.685 7.533 10.169 1.00 0.00 H new ATOM 0 HD21 ASN A 60 2.892 6.522 6.284 1.00 0.00 H new ATOM 0 HD22 ASN A 60 4.516 6.363 6.962 1.00 0.00 H new ATOM 212 N GLY A 61 6.746 5.843 7.369 1.00 0.00 N ATOM 213 CA GLY A 61 7.568 4.742 6.880 1.00 0.00 C ATOM 214 C GLY A 61 6.789 3.723 6.066 1.00 0.00 C ATOM 215 O GLY A 61 7.332 2.699 5.658 1.00 0.00 O ATOM 0 H GLY A 61 6.664 6.631 6.727 1.00 0.00 H new ATOM 0 HA2 GLY A 61 8.375 5.145 6.268 1.00 0.00 H new ATOM 0 HA3 GLY A 61 8.032 4.240 7.729 1.00 0.00 H new ATOM 219 N THR A 62 5.520 4.005 5.831 1.00 0.00 N ATOM 220 CA THR A 62 4.647 3.080 5.133 1.00 0.00 C ATOM 221 C THR A 62 3.442 3.832 4.596 1.00 0.00 C ATOM 222 O THR A 62 3.299 5.031 4.826 1.00 0.00 O ATOM 223 CB THR A 62 4.171 1.945 6.078 1.00 0.00 C ATOM 224 OG1 THR A 62 3.423 0.956 5.351 1.00 0.00 O ATOM 225 CG2 THR A 62 3.316 2.503 7.208 1.00 0.00 C ATOM 0 H THR A 62 5.069 4.874 6.116 1.00 0.00 H new ATOM 0 HA THR A 62 5.204 2.632 4.310 1.00 0.00 H new ATOM 0 HB THR A 62 5.058 1.476 6.505 1.00 0.00 H new ATOM 0 HG1 THR A 62 4.028 0.249 5.044 1.00 0.00 H new ATOM 0 HG21 THR A 62 2.994 1.689 7.857 1.00 0.00 H new ATOM 0 HG22 THR A 62 3.900 3.219 7.786 1.00 0.00 H new ATOM 0 HG23 THR A 62 2.441 3.001 6.790 1.00 0.00 H new ATOM 233 N ILE A 63 2.582 3.137 3.881 1.00 0.00 N ATOM 234 CA ILE A 63 1.295 3.688 3.549 1.00 0.00 C ATOM 235 C ILE A 63 0.293 3.244 4.605 1.00 0.00 C ATOM 236 O ILE A 63 0.361 2.115 5.103 1.00 0.00 O ATOM 237 CB ILE A 63 0.826 3.277 2.130 1.00 0.00 C ATOM 238 CG1 ILE A 63 0.501 4.531 1.320 1.00 0.00 C ATOM 239 CG2 ILE A 63 -0.381 2.344 2.178 1.00 0.00 C ATOM 240 CD1 ILE A 63 0.013 4.250 -0.083 1.00 0.00 C ATOM 0 H ILE A 63 2.753 2.197 3.523 1.00 0.00 H new ATOM 0 HA ILE A 63 1.372 4.775 3.538 1.00 0.00 H new ATOM 0 HB ILE A 63 1.636 2.729 1.649 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -0.259 5.106 1.849 1.00 0.00 H new ATOM 0 HG13 ILE A 63 1.392 5.156 1.265 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -0.678 2.080 1.163 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -0.120 1.439 2.726 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -1.209 2.846 2.679 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -0.196 5.192 -0.591 1.00 0.00 H new ATOM 0 HD12 ILE A 63 0.780 3.703 -0.632 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -0.897 3.652 -0.039 1.00 0.00 H new ATOM 252 N ASP A 64 -0.599 4.140 4.967 1.00 0.00 N ATOM 253 CA ASP A 64 -1.651 3.842 5.916 1.00 0.00 C ATOM 254 C ASP A 64 -2.946 3.899 5.126 1.00 0.00 C ATOM 255 O ASP A 64 -2.901 4.196 3.930 1.00 0.00 O ATOM 256 CB ASP A 64 -1.662 4.874 7.052 1.00 0.00 C ATOM 257 CG ASP A 64 -2.337 4.389 8.324 1.00 0.00 C ATOM 258 OD1 ASP A 64 -3.502 3.943 8.246 1.00 0.00 O ATOM 259 OD2 ASP A 64 -1.713 4.429 9.402 1.00 0.00 O ATOM 0 H ASP A 64 -0.616 5.096 4.612 1.00 0.00 H new ATOM 0 HA ASP A 64 -1.509 2.866 6.380 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -0.635 5.155 7.283 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -2.169 5.775 6.705 1.00 0.00 H new ATOM 264 N PHE A 65 -4.077 3.635 5.742 1.00 0.00 N ATOM 265 CA PHE A 65 -5.345 3.753 5.040 1.00 0.00 C ATOM 266 C PHE A 65 -5.545 5.168 4.475 1.00 0.00 C ATOM 267 O PHE A 65 -5.844 5.312 3.288 1.00 0.00 O ATOM 268 CB PHE A 65 -6.511 3.339 5.938 1.00 0.00 C ATOM 269 CG PHE A 65 -6.583 1.855 6.138 1.00 0.00 C ATOM 270 CD1 PHE A 65 -5.825 1.237 7.119 1.00 0.00 C ATOM 271 CD2 PHE A 65 -7.390 1.076 5.326 1.00 0.00 C ATOM 272 CE1 PHE A 65 -5.874 -0.132 7.287 1.00 0.00 C ATOM 273 CE2 PHE A 65 -7.438 -0.292 5.488 1.00 0.00 C ATOM 274 CZ PHE A 65 -6.679 -0.898 6.471 1.00 0.00 C ATOM 0 H PHE A 65 -4.150 3.340 6.716 1.00 0.00 H new ATOM 0 HA PHE A 65 -5.320 3.067 4.193 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -6.411 3.828 6.907 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -7.445 3.689 5.499 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -5.190 1.832 7.758 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -7.988 1.545 4.558 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -5.282 -0.603 8.058 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -8.069 -0.890 4.847 1.00 0.00 H new ATOM 0 HZ PHE A 65 -6.716 -1.970 6.600 1.00 0.00 H new ATOM 284 N PRO A 66 -5.372 6.235 5.297 1.00 0.00 N ATOM 285 CA PRO A 66 -5.434 7.617 4.809 1.00 0.00 C ATOM 286 C PRO A 66 -4.481 7.871 3.639 1.00 0.00 C ATOM 287 O PRO A 66 -4.892 8.405 2.608 1.00 0.00 O ATOM 288 CB PRO A 66 -5.022 8.453 6.022 1.00 0.00 C ATOM 289 CG PRO A 66 -5.363 7.607 7.195 1.00 0.00 C ATOM 290 CD PRO A 66 -5.147 6.189 6.757 1.00 0.00 C ATOM 0 HA PRO A 66 -6.425 7.861 4.426 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -3.958 8.687 5.999 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -5.557 9.402 6.049 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -4.732 7.852 8.050 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -6.396 7.767 7.505 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -4.141 5.845 6.996 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -5.842 5.508 7.248 1.00 0.00 H new ATOM 298 N GLU A 67 -3.209 7.485 3.797 1.00 0.00 N ATOM 299 CA GLU A 67 -2.227 7.668 2.729 1.00 0.00 C ATOM 300 C GLU A 67 -2.655 6.959 1.453 1.00 0.00 C ATOM 301 O GLU A 67 -2.695 7.572 0.393 1.00 0.00 O ATOM 302 CB GLU A 67 -0.838 7.167 3.133 1.00 0.00 C ATOM 303 CG GLU A 67 -0.036 8.138 3.982 1.00 0.00 C ATOM 304 CD GLU A 67 -0.312 8.026 5.465 1.00 0.00 C ATOM 305 OE1 GLU A 67 0.199 7.103 6.114 1.00 0.00 O ATOM 306 OE2 GLU A 67 -1.102 8.828 5.996 1.00 0.00 O ATOM 0 H GLU A 67 -2.842 7.050 4.643 1.00 0.00 H new ATOM 0 HA GLU A 67 -2.174 8.741 2.547 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -0.949 6.232 3.682 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -0.271 6.941 2.230 1.00 0.00 H new ATOM 0 HG2 GLU A 67 1.026 7.968 3.806 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -0.254 9.155 3.657 1.00 0.00 H new ATOM 313 N PHE A 68 -2.984 5.675 1.559 1.00 0.00 N ATOM 314 CA PHE A 68 -3.287 4.870 0.381 1.00 0.00 C ATOM 315 C PHE A 68 -4.438 5.477 -0.406 1.00 0.00 C ATOM 316 O PHE A 68 -4.317 5.711 -1.603 1.00 0.00 O ATOM 317 CB PHE A 68 -3.614 3.423 0.774 1.00 0.00 C ATOM 318 CG PHE A 68 -3.594 2.458 -0.386 1.00 0.00 C ATOM 319 CD1 PHE A 68 -2.422 1.803 -0.742 1.00 0.00 C ATOM 320 CD2 PHE A 68 -4.743 2.205 -1.119 1.00 0.00 C ATOM 321 CE1 PHE A 68 -2.395 0.917 -1.805 1.00 0.00 C ATOM 322 CE2 PHE A 68 -4.723 1.320 -2.182 1.00 0.00 C ATOM 323 CZ PHE A 68 -3.549 0.676 -2.524 1.00 0.00 C ATOM 0 H PHE A 68 -3.047 5.172 2.444 1.00 0.00 H new ATOM 0 HA PHE A 68 -2.401 4.861 -0.254 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -2.897 3.089 1.525 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -4.599 3.397 1.240 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -1.518 1.988 -0.181 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -5.664 2.704 -0.857 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -1.476 0.416 -2.071 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -5.625 1.132 -2.745 1.00 0.00 H new ATOM 0 HZ PHE A 68 -3.534 -0.016 -3.353 1.00 0.00 H new ATOM 333 N LEU A 69 -5.539 5.757 0.276 1.00 0.00 N ATOM 334 CA LEU A 69 -6.722 6.276 -0.380 1.00 0.00 C ATOM 335 C LEU A 69 -6.539 7.688 -0.905 1.00 0.00 C ATOM 336 O LEU A 69 -6.771 7.946 -2.085 1.00 0.00 O ATOM 337 CB LEU A 69 -7.913 6.223 0.567 1.00 0.00 C ATOM 338 CG LEU A 69 -8.615 4.875 0.600 1.00 0.00 C ATOM 339 CD1 LEU A 69 -8.942 4.455 -0.824 1.00 0.00 C ATOM 340 CD2 LEU A 69 -7.766 3.825 1.302 1.00 0.00 C ATOM 0 H LEU A 69 -5.634 5.632 1.284 1.00 0.00 H new ATOM 0 HA LEU A 69 -6.906 5.638 -1.245 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -7.576 6.470 1.573 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -8.632 6.989 0.274 1.00 0.00 H new ATOM 0 HG LEU A 69 -9.539 4.966 1.171 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -9.446 3.489 -0.812 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -9.594 5.199 -1.282 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -8.020 4.376 -1.401 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -8.297 2.873 1.308 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -6.820 3.709 0.774 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -7.573 4.140 2.328 1.00 0.00 H new ATOM 352 N THR A 70 -6.125 8.596 -0.042 1.00 0.00 N ATOM 353 CA THR A 70 -6.068 9.995 -0.412 1.00 0.00 C ATOM 354 C THR A 70 -4.975 10.264 -1.445 1.00 0.00 C ATOM 355 O THR A 70 -5.210 10.961 -2.420 1.00 0.00 O ATOM 356 CB THR A 70 -5.873 10.892 0.826 1.00 0.00 C ATOM 357 OG1 THR A 70 -6.949 10.672 1.744 1.00 0.00 O ATOM 358 CG2 THR A 70 -5.825 12.365 0.440 1.00 0.00 C ATOM 0 H THR A 70 -5.826 8.392 0.912 1.00 0.00 H new ATOM 0 HA THR A 70 -7.026 10.243 -0.869 1.00 0.00 H new ATOM 0 HB THR A 70 -4.923 10.633 1.292 1.00 0.00 H new ATOM 0 HG1 THR A 70 -6.827 11.240 2.533 1.00 0.00 H new ATOM 0 HG21 THR A 70 -5.687 12.971 1.335 1.00 0.00 H new ATOM 0 HG22 THR A 70 -4.994 12.535 -0.245 1.00 0.00 H new ATOM 0 HG23 THR A 70 -6.760 12.644 -0.047 1.00 0.00 H new ATOM 366 N MET A 71 -3.785 9.724 -1.222 1.00 0.00 N ATOM 367 CA MET A 71 -2.695 9.845 -2.186 1.00 0.00 C ATOM 368 C MET A 71 -3.062 9.186 -3.515 1.00 0.00 C ATOM 369 O MET A 71 -2.662 9.663 -4.578 1.00 0.00 O ATOM 370 CB MET A 71 -1.404 9.231 -1.631 1.00 0.00 C ATOM 371 CG MET A 71 -0.192 9.437 -2.526 1.00 0.00 C ATOM 372 SD MET A 71 0.251 11.177 -2.703 1.00 0.00 S ATOM 373 CE MET A 71 0.643 11.604 -1.006 1.00 0.00 C ATOM 0 H MET A 71 -3.548 9.197 -0.382 1.00 0.00 H new ATOM 0 HA MET A 71 -2.527 10.907 -2.363 1.00 0.00 H new ATOM 0 HB2 MET A 71 -1.199 9.664 -0.652 1.00 0.00 H new ATOM 0 HB3 MET A 71 -1.556 8.162 -1.482 1.00 0.00 H new ATOM 0 HG2 MET A 71 0.656 8.890 -2.115 1.00 0.00 H new ATOM 0 HG3 MET A 71 -0.396 9.016 -3.510 1.00 0.00 H new ATOM 0 HE1 MET A 71 1.273 12.493 -0.991 1.00 0.00 H new ATOM 0 HE2 MET A 71 -0.278 11.802 -0.459 1.00 0.00 H new ATOM 0 HE3 MET A 71 1.173 10.776 -0.536 1.00 0.00 H new ATOM 383 N MET A 72 -3.802 8.082 -3.460 1.00 0.00 N ATOM 384 CA MET A 72 -4.291 7.467 -4.684 1.00 0.00 C ATOM 385 C MET A 72 -5.238 8.425 -5.393 1.00 0.00 C ATOM 386 O MET A 72 -4.916 8.933 -6.465 1.00 0.00 O ATOM 387 CB MET A 72 -4.979 6.128 -4.416 1.00 0.00 C ATOM 388 CG MET A 72 -5.434 5.421 -5.683 1.00 0.00 C ATOM 389 SD MET A 72 -6.084 3.769 -5.371 1.00 0.00 S ATOM 390 CE MET A 72 -7.369 4.131 -4.177 1.00 0.00 C ATOM 0 H MET A 72 -4.070 7.605 -2.599 1.00 0.00 H new ATOM 0 HA MET A 72 -3.434 7.262 -5.326 1.00 0.00 H new ATOM 0 HB2 MET A 72 -4.294 5.478 -3.872 1.00 0.00 H new ATOM 0 HB3 MET A 72 -5.842 6.294 -3.771 1.00 0.00 H new ATOM 0 HG2 MET A 72 -6.201 6.021 -6.172 1.00 0.00 H new ATOM 0 HG3 MET A 72 -4.595 5.351 -6.375 1.00 0.00 H new ATOM 0 HE1 MET A 72 -7.990 3.247 -4.032 1.00 0.00 H new ATOM 0 HE2 MET A 72 -6.914 4.415 -3.228 1.00 0.00 H new ATOM 0 HE3 MET A 72 -7.986 4.952 -4.544 1.00 0.00 H new ATOM 400 N ALA A 73 -6.388 8.689 -4.775 1.00 0.00 N ATOM 401 CA ALA A 73 -7.378 9.621 -5.314 1.00 0.00 C ATOM 402 C ALA A 73 -6.806 11.007 -5.576 1.00 0.00 C ATOM 403 O ALA A 73 -7.405 11.793 -6.309 1.00 0.00 O ATOM 404 CB ALA A 73 -8.561 9.724 -4.368 1.00 0.00 C ATOM 0 H ALA A 73 -6.660 8.264 -3.888 1.00 0.00 H new ATOM 0 HA ALA A 73 -7.699 9.221 -6.276 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -9.294 10.420 -4.776 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -9.019 8.742 -4.250 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -8.220 10.084 -3.397 1.00 0.00 H new ATOM 410 N ARG A 74 -5.674 11.312 -4.948 1.00 0.00 N ATOM 411 CA ARG A 74 -4.990 12.580 -5.156 1.00 0.00 C ATOM 412 C ARG A 74 -4.906 12.912 -6.644 1.00 0.00 C ATOM 413 O ARG A 74 -5.128 14.054 -7.047 1.00 0.00 O ATOM 414 CB ARG A 74 -3.586 12.545 -4.548 1.00 0.00 C ATOM 415 CG ARG A 74 -2.836 13.873 -4.604 1.00 0.00 C ATOM 416 CD ARG A 74 -3.516 14.958 -3.775 1.00 0.00 C ATOM 417 NE ARG A 74 -4.737 15.461 -4.407 1.00 0.00 N ATOM 418 CZ ARG A 74 -5.708 16.106 -3.758 1.00 0.00 C ATOM 419 NH1 ARG A 74 -5.622 16.311 -2.448 1.00 0.00 N ATOM 420 NH2 ARG A 74 -6.768 16.547 -4.423 1.00 0.00 N ATOM 0 H ARG A 74 -5.209 10.691 -4.286 1.00 0.00 H new ATOM 0 HA ARG A 74 -5.568 13.358 -4.657 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -3.663 12.230 -3.507 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -2.998 11.789 -5.068 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -1.818 13.728 -4.243 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -2.763 14.203 -5.640 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -3.758 14.560 -2.789 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -2.822 15.784 -3.624 1.00 0.00 H new ATOM 0 HE ARG A 74 -4.853 15.308 -5.409 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -4.809 15.974 -1.931 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -6.369 16.805 -1.959 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -6.840 16.393 -5.429 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -7.511 17.040 -3.929 1.00 0.00 H new ATOM 544 N GLU A 82 -14.203 -0.778 0.993 1.00 0.00 N ATOM 545 CA GLU A 82 -13.572 -0.916 2.299 1.00 0.00 C ATOM 546 C GLU A 82 -13.080 -2.338 2.565 1.00 0.00 C ATOM 547 O GLU A 82 -11.943 -2.525 3.006 1.00 0.00 O ATOM 548 CB GLU A 82 -14.537 -0.458 3.380 1.00 0.00 C ATOM 549 CG GLU A 82 -13.837 0.100 4.605 1.00 0.00 C ATOM 550 CD GLU A 82 -14.802 0.705 5.597 1.00 0.00 C ATOM 551 OE1 GLU A 82 -15.159 1.889 5.437 1.00 0.00 O ATOM 552 OE2 GLU A 82 -15.203 -0.003 6.546 1.00 0.00 O ATOM 0 HA GLU A 82 -12.686 -0.281 2.312 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -15.199 0.304 2.969 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -15.164 -1.298 3.678 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -13.273 -0.696 5.091 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -13.117 0.858 4.295 1.00 0.00 H new ATOM 559 N GLU A 83 -13.921 -3.335 2.301 1.00 0.00 N ATOM 560 CA GLU A 83 -13.505 -4.733 2.422 1.00 0.00 C ATOM 561 C GLU A 83 -12.293 -5.007 1.543 1.00 0.00 C ATOM 562 O GLU A 83 -11.308 -5.603 1.978 1.00 0.00 O ATOM 563 CB GLU A 83 -14.633 -5.677 2.003 1.00 0.00 C ATOM 564 CG GLU A 83 -15.916 -5.504 2.788 1.00 0.00 C ATOM 565 CD GLU A 83 -16.948 -6.544 2.411 1.00 0.00 C ATOM 566 OE1 GLU A 83 -17.559 -6.412 1.331 1.00 0.00 O ATOM 567 OE2 GLU A 83 -17.161 -7.492 3.198 1.00 0.00 O ATOM 0 H GLU A 83 -14.888 -3.204 2.004 1.00 0.00 H new ATOM 0 HA GLU A 83 -13.253 -4.910 3.468 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -14.845 -5.523 0.945 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -14.290 -6.706 2.113 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -15.702 -5.574 3.855 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -16.321 -4.508 2.608 1.00 0.00 H new ATOM 574 N GLU A 84 -12.371 -4.532 0.309 1.00 0.00 N ATOM 575 CA GLU A 84 -11.360 -4.813 -0.695 1.00 0.00 C ATOM 576 C GLU A 84 -10.048 -4.110 -0.402 1.00 0.00 C ATOM 577 O GLU A 84 -8.986 -4.692 -0.585 1.00 0.00 O ATOM 578 CB GLU A 84 -11.865 -4.410 -2.078 1.00 0.00 C ATOM 579 CG GLU A 84 -12.887 -5.377 -2.648 1.00 0.00 C ATOM 580 CD GLU A 84 -13.321 -5.007 -4.048 1.00 0.00 C ATOM 581 OE1 GLU A 84 -12.617 -5.378 -5.012 1.00 0.00 O ATOM 582 OE2 GLU A 84 -14.362 -4.340 -4.192 1.00 0.00 O ATOM 0 H GLU A 84 -13.135 -3.943 -0.022 1.00 0.00 H new ATOM 0 HA GLU A 84 -11.171 -5.886 -0.670 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -12.308 -3.416 -2.020 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -11.018 -4.342 -2.761 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -12.465 -6.382 -2.656 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -13.760 -5.403 -1.996 1.00 0.00 H new ATOM 589 N ILE A 85 -10.111 -2.865 0.045 1.00 0.00 N ATOM 590 CA ILE A 85 -8.911 -2.109 0.324 1.00 0.00 C ATOM 591 C ILE A 85 -8.205 -2.665 1.561 1.00 0.00 C ATOM 592 O ILE A 85 -6.983 -2.738 1.597 1.00 0.00 O ATOM 593 CB ILE A 85 -9.207 -0.604 0.507 1.00 0.00 C ATOM 594 CG1 ILE A 85 -10.075 -0.081 -0.647 1.00 0.00 C ATOM 595 CG2 ILE A 85 -7.906 0.186 0.569 1.00 0.00 C ATOM 596 CD1 ILE A 85 -9.435 -0.229 -2.015 1.00 0.00 C ATOM 0 H ILE A 85 -10.981 -2.362 0.220 1.00 0.00 H new ATOM 0 HA ILE A 85 -8.253 -2.212 -0.539 1.00 0.00 H new ATOM 0 HB ILE A 85 -9.750 -0.474 1.443 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -11.026 -0.613 -0.643 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -10.297 0.972 -0.473 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -8.129 1.245 0.698 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -7.308 -0.164 1.410 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -7.349 0.043 -0.357 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -10.109 0.163 -2.776 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -8.497 0.326 -2.040 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -9.238 -1.283 -2.212 1.00 0.00 H new ATOM 608 N ARG A 86 -8.977 -3.089 2.562 1.00 0.00 N ATOM 609 CA ARG A 86 -8.397 -3.763 3.725 1.00 0.00 C ATOM 610 C ARG A 86 -7.756 -5.076 3.294 1.00 0.00 C ATOM 611 O ARG A 86 -6.653 -5.429 3.727 1.00 0.00 O ATOM 612 CB ARG A 86 -9.455 -4.021 4.804 1.00 0.00 C ATOM 613 CG ARG A 86 -9.828 -2.781 5.598 1.00 0.00 C ATOM 614 CD ARG A 86 -10.839 -3.089 6.687 1.00 0.00 C ATOM 615 NE ARG A 86 -11.111 -1.917 7.519 1.00 0.00 N ATOM 616 CZ ARG A 86 -12.324 -1.396 7.707 1.00 0.00 C ATOM 617 NH1 ARG A 86 -13.389 -1.974 7.166 1.00 0.00 N ATOM 618 NH2 ARG A 86 -12.473 -0.301 8.443 1.00 0.00 N ATOM 0 H ARG A 86 -9.991 -2.980 2.593 1.00 0.00 H new ATOM 0 HA ARG A 86 -7.635 -3.111 4.152 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -10.352 -4.424 4.333 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -9.085 -4.783 5.489 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -8.931 -2.353 6.046 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -10.238 -2.028 4.924 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -11.767 -3.437 6.234 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -10.465 -3.900 7.312 1.00 0.00 H new ATOM 0 HE ARG A 86 -10.322 -1.469 7.985 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -13.281 -2.819 6.605 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -14.316 -1.573 7.311 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -11.658 0.144 8.866 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -13.402 0.095 8.585 1.00 0.00 H new ATOM 632 N GLU A 87 -8.443 -5.773 2.401 1.00 0.00 N ATOM 633 CA GLU A 87 -7.943 -7.015 1.852 1.00 0.00 C ATOM 634 C GLU A 87 -6.687 -6.733 1.036 1.00 0.00 C ATOM 635 O GLU A 87 -5.765 -7.542 0.982 1.00 0.00 O ATOM 636 CB GLU A 87 -9.021 -7.659 0.983 1.00 0.00 C ATOM 637 CG GLU A 87 -8.672 -9.040 0.465 1.00 0.00 C ATOM 638 CD GLU A 87 -9.767 -9.604 -0.413 1.00 0.00 C ATOM 639 OE1 GLU A 87 -9.733 -9.368 -1.640 1.00 0.00 O ATOM 640 OE2 GLU A 87 -10.650 -10.308 0.113 1.00 0.00 O ATOM 0 H GLU A 87 -9.355 -5.493 2.042 1.00 0.00 H new ATOM 0 HA GLU A 87 -7.691 -7.705 2.657 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -9.943 -7.724 1.560 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -9.222 -7.007 0.133 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -7.741 -8.992 -0.101 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -8.499 -9.711 1.307 1.00 0.00 H new ATOM 647 N ALA A 88 -6.655 -5.555 0.427 1.00 0.00 N ATOM 648 CA ALA A 88 -5.511 -5.113 -0.343 1.00 0.00 C ATOM 649 C ALA A 88 -4.315 -4.874 0.565 1.00 0.00 C ATOM 650 O ALA A 88 -3.204 -5.244 0.224 1.00 0.00 O ATOM 651 CB ALA A 88 -5.849 -3.858 -1.133 1.00 0.00 C ATOM 0 H ALA A 88 -7.422 -4.884 0.456 1.00 0.00 H new ATOM 0 HA ALA A 88 -5.249 -5.899 -1.051 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -4.976 -3.542 -1.705 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -6.673 -4.068 -1.815 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -6.140 -3.063 -0.446 1.00 0.00 H new ATOM 657 N PHE A 89 -4.543 -4.267 1.725 1.00 0.00 N ATOM 658 CA PHE A 89 -3.472 -4.075 2.705 1.00 0.00 C ATOM 659 C PHE A 89 -2.860 -5.412 3.112 1.00 0.00 C ATOM 660 O PHE A 89 -1.677 -5.492 3.445 1.00 0.00 O ATOM 661 CB PHE A 89 -3.986 -3.321 3.936 1.00 0.00 C ATOM 662 CG PHE A 89 -3.963 -1.825 3.777 1.00 0.00 C ATOM 663 CD1 PHE A 89 -4.907 -1.179 2.998 1.00 0.00 C ATOM 664 CD2 PHE A 89 -2.988 -1.068 4.405 1.00 0.00 C ATOM 665 CE1 PHE A 89 -4.878 0.194 2.846 1.00 0.00 C ATOM 666 CE2 PHE A 89 -2.954 0.304 4.259 1.00 0.00 C ATOM 667 CZ PHE A 89 -3.901 0.937 3.478 1.00 0.00 C ATOM 0 H PHE A 89 -5.451 -3.901 2.011 1.00 0.00 H new ATOM 0 HA PHE A 89 -2.694 -3.473 2.236 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -5.006 -3.640 4.148 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -3.380 -3.596 4.800 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -5.675 -1.755 2.503 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -2.245 -1.558 5.017 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -5.619 0.686 2.233 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -2.188 0.882 4.755 1.00 0.00 H new ATOM 0 HZ PHE A 89 -3.877 2.010 3.362 1.00 0.00 H new ATOM 677 N ARG A 90 -3.674 -6.458 3.095 1.00 0.00 N ATOM 678 CA ARG A 90 -3.191 -7.812 3.357 1.00 0.00 C ATOM 679 C ARG A 90 -2.471 -8.419 2.141 1.00 0.00 C ATOM 680 O ARG A 90 -1.440 -9.076 2.291 1.00 0.00 O ATOM 681 CB ARG A 90 -4.367 -8.698 3.784 1.00 0.00 C ATOM 682 CG ARG A 90 -4.096 -10.191 3.682 1.00 0.00 C ATOM 683 CD ARG A 90 -5.306 -10.997 4.117 1.00 0.00 C ATOM 684 NE ARG A 90 -5.266 -12.364 3.608 1.00 0.00 N ATOM 685 CZ ARG A 90 -6.202 -13.277 3.857 1.00 0.00 C ATOM 686 NH1 ARG A 90 -7.172 -13.015 4.725 1.00 0.00 N ATOM 687 NH2 ARG A 90 -6.149 -14.463 3.262 1.00 0.00 N ATOM 0 H ARG A 90 -4.674 -6.398 2.903 1.00 0.00 H new ATOM 0 HA ARG A 90 -2.458 -7.758 4.162 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -4.632 -8.458 4.814 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -5.232 -8.455 3.167 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -3.835 -10.447 2.655 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -3.239 -10.451 4.303 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -5.355 -11.017 5.206 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -6.214 -10.506 3.766 1.00 0.00 H new ATOM 0 HE ARG A 90 -4.473 -12.636 3.027 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -7.200 -12.114 5.201 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -7.889 -13.715 4.915 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -5.391 -14.675 2.614 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -6.867 -15.162 3.453 1.00 0.00 H new ATOM 701 N VAL A 91 -3.009 -8.187 0.944 1.00 0.00 N ATOM 702 CA VAL A 91 -2.497 -8.824 -0.276 1.00 0.00 C ATOM 703 C VAL A 91 -1.284 -8.079 -0.829 1.00 0.00 C ATOM 704 O VAL A 91 -0.320 -8.689 -1.291 1.00 0.00 O ATOM 705 CB VAL A 91 -3.592 -8.908 -1.370 1.00 0.00 C ATOM 706 CG1 VAL A 91 -3.018 -9.403 -2.693 1.00 0.00 C ATOM 707 CG2 VAL A 91 -4.729 -9.811 -0.912 1.00 0.00 C ATOM 0 H VAL A 91 -3.800 -7.562 0.790 1.00 0.00 H new ATOM 0 HA VAL A 91 -2.193 -9.834 -0.000 1.00 0.00 H new ATOM 0 HB VAL A 91 -3.983 -7.903 -1.532 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -3.811 -9.451 -3.439 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -2.242 -8.717 -3.032 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -2.590 -10.396 -2.555 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -5.490 -9.860 -1.690 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -4.343 -10.812 -0.718 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -5.169 -9.408 0.001 1.00 0.00 H new ATOM 717 N PHE A 92 -1.342 -6.760 -0.764 1.00 0.00 N ATOM 718 CA PHE A 92 -0.265 -5.892 -1.229 1.00 0.00 C ATOM 719 C PHE A 92 0.919 -5.898 -0.269 1.00 0.00 C ATOM 720 O PHE A 92 1.766 -5.010 -0.305 1.00 0.00 O ATOM 721 CB PHE A 92 -0.766 -4.463 -1.458 1.00 0.00 C ATOM 722 CG PHE A 92 -1.547 -4.295 -2.734 1.00 0.00 C ATOM 723 CD1 PHE A 92 -2.863 -4.714 -2.822 1.00 0.00 C ATOM 724 CD2 PHE A 92 -0.958 -3.719 -3.849 1.00 0.00 C ATOM 725 CE1 PHE A 92 -3.577 -4.562 -3.995 1.00 0.00 C ATOM 726 CE2 PHE A 92 -1.667 -3.565 -5.024 1.00 0.00 C ATOM 727 CZ PHE A 92 -2.977 -3.988 -5.098 1.00 0.00 C ATOM 0 H PHE A 92 -2.142 -6.254 -0.385 1.00 0.00 H new ATOM 0 HA PHE A 92 0.079 -6.291 -2.183 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -1.393 -4.168 -0.617 1.00 0.00 H new ATOM 0 HB3 PHE A 92 0.088 -3.786 -1.473 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -3.338 -5.165 -1.963 1.00 0.00 H new ATOM 0 HD2 PHE A 92 0.068 -3.387 -3.798 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -4.604 -4.892 -4.049 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -1.196 -3.113 -5.884 1.00 0.00 H new ATOM 0 HZ PHE A 92 -3.533 -3.871 -6.017 1.00 0.00 H new ATOM 737 N ASP A 93 0.959 -6.899 0.593 1.00 0.00 N ATOM 738 CA ASP A 93 1.983 -7.014 1.614 1.00 0.00 C ATOM 739 C ASP A 93 2.549 -8.435 1.568 1.00 0.00 C ATOM 740 O ASP A 93 1.845 -9.376 1.201 1.00 0.00 O ATOM 741 CB ASP A 93 1.372 -6.714 2.993 1.00 0.00 C ATOM 742 CG ASP A 93 2.403 -6.576 4.097 1.00 0.00 C ATOM 743 OD1 ASP A 93 3.399 -7.300 4.107 1.00 0.00 O ATOM 744 OD2 ASP A 93 2.255 -5.735 4.983 1.00 0.00 O ATOM 0 H ASP A 93 0.278 -7.658 0.603 1.00 0.00 H new ATOM 0 HA ASP A 93 2.785 -6.298 1.436 1.00 0.00 H new ATOM 0 HB2 ASP A 93 0.792 -5.793 2.932 1.00 0.00 H new ATOM 0 HB3 ASP A 93 0.677 -7.512 3.254 1.00 0.00 H new ATOM 749 N LYS A 94 3.821 -8.590 1.924 1.00 0.00 N ATOM 750 CA LYS A 94 4.457 -9.904 1.920 1.00 0.00 C ATOM 751 C LYS A 94 4.079 -10.656 3.189 1.00 0.00 C ATOM 752 O LYS A 94 3.981 -11.883 3.205 1.00 0.00 O ATOM 753 CB LYS A 94 5.983 -9.800 1.875 1.00 0.00 C ATOM 754 CG LYS A 94 6.531 -8.729 0.955 1.00 0.00 C ATOM 755 CD LYS A 94 8.005 -8.972 0.671 1.00 0.00 C ATOM 756 CE LYS A 94 8.767 -7.675 0.472 1.00 0.00 C ATOM 757 NZ LYS A 94 8.906 -6.926 1.752 1.00 0.00 N ATOM 0 H LYS A 94 4.429 -7.826 2.218 1.00 0.00 H new ATOM 0 HA LYS A 94 4.111 -10.428 1.029 1.00 0.00 H new ATOM 0 HB2 LYS A 94 6.348 -9.610 2.884 1.00 0.00 H new ATOM 0 HB3 LYS A 94 6.388 -10.764 1.566 1.00 0.00 H new ATOM 0 HG2 LYS A 94 5.971 -8.723 0.020 1.00 0.00 H new ATOM 0 HG3 LYS A 94 6.400 -7.748 1.411 1.00 0.00 H new ATOM 0 HD2 LYS A 94 8.446 -9.529 1.498 1.00 0.00 H new ATOM 0 HD3 LYS A 94 8.105 -9.592 -0.220 1.00 0.00 H new ATOM 0 HE2 LYS A 94 9.755 -7.890 0.065 1.00 0.00 H new ATOM 0 HE3 LYS A 94 8.249 -7.055 -0.260 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 9.786 -6.373 1.737 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 8.096 -6.284 1.869 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 8.933 -7.597 2.546 1.00 0.00 H new ATOM 771 N ASP A 95 3.902 -9.890 4.254 1.00 0.00 N ATOM 772 CA ASP A 95 3.627 -10.427 5.581 1.00 0.00 C ATOM 773 C ASP A 95 2.210 -10.083 6.029 1.00 0.00 C ATOM 774 O ASP A 95 1.770 -10.479 7.109 1.00 0.00 O ATOM 775 CB ASP A 95 4.633 -9.854 6.583 1.00 0.00 C ATOM 776 CG ASP A 95 4.743 -8.344 6.475 1.00 0.00 C ATOM 777 OD1 ASP A 95 3.764 -7.639 6.749 1.00 0.00 O ATOM 778 OD2 ASP A 95 5.836 -7.829 6.184 1.00 0.00 O ATOM 0 H ASP A 95 3.945 -8.871 4.224 1.00 0.00 H new ATOM 0 HA ASP A 95 3.720 -11.512 5.539 1.00 0.00 H new ATOM 0 HB2 ASP A 95 4.331 -10.124 7.595 1.00 0.00 H new ATOM 0 HB3 ASP A 95 5.612 -10.302 6.411 1.00 0.00 H new ATOM 783 N GLY A 96 1.509 -9.354 5.166 1.00 0.00 N ATOM 784 CA GLY A 96 0.166 -8.878 5.454 1.00 0.00 C ATOM 785 C GLY A 96 0.002 -8.202 6.803 1.00 0.00 C ATOM 786 O GLY A 96 -0.992 -8.448 7.481 1.00 0.00 O ATOM 0 H GLY A 96 1.859 -9.078 4.248 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -0.130 -8.176 4.674 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -0.522 -9.722 5.401 1.00 0.00 H new ATOM 790 N ASN A 97 0.944 -7.345 7.213 1.00 0.00 N ATOM 791 CA ASN A 97 0.843 -6.661 8.510 1.00 0.00 C ATOM 792 C ASN A 97 -0.174 -5.516 8.505 1.00 0.00 C ATOM 793 O ASN A 97 -0.118 -4.629 9.359 1.00 0.00 O ATOM 794 CB ASN A 97 2.223 -6.132 8.957 1.00 0.00 C ATOM 795 CG ASN A 97 2.774 -4.981 8.106 1.00 0.00 C ATOM 796 OD1 ASN A 97 3.533 -5.193 7.155 1.00 0.00 O ATOM 797 ND2 ASN A 97 2.416 -3.754 8.450 1.00 0.00 N ATOM 0 H ASN A 97 1.777 -7.109 6.673 1.00 0.00 H new ATOM 0 HA ASN A 97 0.487 -7.406 9.221 1.00 0.00 H new ATOM 0 HB2 ASN A 97 2.151 -5.798 9.992 1.00 0.00 H new ATOM 0 HB3 ASN A 97 2.937 -6.955 8.936 1.00 0.00 H new ATOM 0 HD21 ASN A 97 2.769 -2.954 7.925 1.00 0.00 H new ATOM 0 HD22 ASN A 97 1.788 -3.609 9.240 1.00 0.00 H new ATOM 804 N GLY A 98 -1.106 -5.539 7.562 1.00 0.00 N ATOM 805 CA GLY A 98 -2.166 -4.547 7.543 1.00 0.00 C ATOM 806 C GLY A 98 -1.684 -3.177 7.114 1.00 0.00 C ATOM 807 O GLY A 98 -2.322 -2.168 7.417 1.00 0.00 O ATOM 0 H GLY A 98 -1.148 -6.226 6.809 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -2.954 -4.878 6.866 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -2.608 -4.476 8.537 1.00 0.00 H new ATOM 811 N TYR A 99 -0.562 -3.142 6.409 1.00 0.00 N ATOM 812 CA TYR A 99 0.006 -1.899 5.910 1.00 0.00 C ATOM 813 C TYR A 99 0.722 -2.161 4.605 1.00 0.00 C ATOM 814 O TYR A 99 1.382 -3.181 4.449 1.00 0.00 O ATOM 815 CB TYR A 99 0.985 -1.267 6.904 1.00 0.00 C ATOM 816 CG TYR A 99 0.325 -0.622 8.093 1.00 0.00 C ATOM 817 CD1 TYR A 99 -0.381 0.563 7.957 1.00 0.00 C ATOM 818 CD2 TYR A 99 0.410 -1.197 9.353 1.00 0.00 C ATOM 819 CE1 TYR A 99 -0.987 1.157 9.043 1.00 0.00 C ATOM 820 CE2 TYR A 99 -0.191 -0.610 10.445 1.00 0.00 C ATOM 821 CZ TYR A 99 -0.894 0.565 10.285 1.00 0.00 C ATOM 822 OH TYR A 99 -1.501 1.155 11.367 1.00 0.00 O ATOM 0 H TYR A 99 -0.021 -3.973 6.168 1.00 0.00 H new ATOM 0 HA TYR A 99 -0.816 -1.199 5.764 1.00 0.00 H new ATOM 0 HB2 TYR A 99 1.674 -2.035 7.257 1.00 0.00 H new ATOM 0 HB3 TYR A 99 1.582 -0.518 6.383 1.00 0.00 H new ATOM 0 HD1 TYR A 99 -0.457 1.028 6.985 1.00 0.00 H new ATOM 0 HD2 TYR A 99 0.956 -2.120 9.480 1.00 0.00 H new ATOM 0 HE1 TYR A 99 -1.532 2.082 8.922 1.00 0.00 H new ATOM 0 HE2 TYR A 99 -0.112 -1.067 11.420 1.00 0.00 H new ATOM 0 HH TYR A 99 -1.342 0.612 12.167 1.00 0.00 H new ATOM 832 N ILE A 100 0.598 -1.239 3.678 1.00 0.00 N ATOM 833 CA ILE A 100 1.189 -1.412 2.369 1.00 0.00 C ATOM 834 C ILE A 100 2.440 -0.550 2.235 1.00 0.00 C ATOM 835 O ILE A 100 2.363 0.667 2.082 1.00 0.00 O ATOM 836 CB ILE A 100 0.170 -1.068 1.267 1.00 0.00 C ATOM 837 CG1 ILE A 100 -1.055 -1.982 1.394 1.00 0.00 C ATOM 838 CG2 ILE A 100 0.802 -1.200 -0.108 1.00 0.00 C ATOM 839 CD1 ILE A 100 -2.173 -1.665 0.423 1.00 0.00 C ATOM 0 H ILE A 100 0.094 -0.362 3.805 1.00 0.00 H new ATOM 0 HA ILE A 100 1.477 -2.457 2.252 1.00 0.00 H new ATOM 0 HB ILE A 100 -0.149 -0.033 1.389 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -0.740 -3.015 1.243 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -1.442 -1.912 2.411 1.00 0.00 H new ATOM 0 HG21 ILE A 100 0.065 -0.953 -0.872 1.00 0.00 H new ATOM 0 HG22 ILE A 100 1.649 -0.518 -0.186 1.00 0.00 H new ATOM 0 HG23 ILE A 100 1.146 -2.224 -0.254 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -2.999 -2.358 0.581 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -2.519 -0.644 0.587 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -1.807 -1.764 -0.599 1.00 0.00 H new ATOM 851 N SER A 101 3.594 -1.184 2.330 1.00 0.00 N ATOM 852 CA SER A 101 4.854 -0.483 2.189 1.00 0.00 C ATOM 853 C SER A 101 5.419 -0.702 0.786 1.00 0.00 C ATOM 854 O SER A 101 4.946 -1.573 0.061 1.00 0.00 O ATOM 855 CB SER A 101 5.857 -0.964 3.242 1.00 0.00 C ATOM 856 OG SER A 101 5.268 -1.010 4.532 1.00 0.00 O ATOM 0 H SER A 101 3.684 -2.185 2.505 1.00 0.00 H new ATOM 0 HA SER A 101 4.679 0.582 2.340 1.00 0.00 H new ATOM 0 HB2 SER A 101 6.224 -1.954 2.972 1.00 0.00 H new ATOM 0 HB3 SER A 101 6.719 -0.297 3.257 1.00 0.00 H new ATOM 0 HG SER A 101 5.931 -1.322 5.183 1.00 0.00 H new ATOM 862 N ALA A 102 6.419 0.081 0.410 1.00 0.00 N ATOM 863 CA ALA A 102 7.017 -0.024 -0.921 1.00 0.00 C ATOM 864 C ALA A 102 7.500 -1.447 -1.222 1.00 0.00 C ATOM 865 O ALA A 102 7.131 -2.029 -2.237 1.00 0.00 O ATOM 866 CB ALA A 102 8.158 0.961 -1.062 1.00 0.00 C ATOM 0 H ALA A 102 6.836 0.797 1.004 1.00 0.00 H new ATOM 0 HA ALA A 102 6.242 0.218 -1.649 1.00 0.00 H new ATOM 0 HB1 ALA A 102 8.594 0.872 -2.057 1.00 0.00 H new ATOM 0 HB2 ALA A 102 7.783 1.975 -0.919 1.00 0.00 H new ATOM 0 HB3 ALA A 102 8.919 0.746 -0.312 1.00 0.00 H new ATOM 872 N ALA A 103 8.343 -1.988 -0.347 1.00 0.00 N ATOM 873 CA ALA A 103 8.830 -3.365 -0.488 1.00 0.00 C ATOM 874 C ALA A 103 7.680 -4.363 -0.642 1.00 0.00 C ATOM 875 O ALA A 103 7.749 -5.300 -1.447 1.00 0.00 O ATOM 876 CB ALA A 103 9.689 -3.731 0.708 1.00 0.00 C ATOM 0 H ALA A 103 8.706 -1.496 0.470 1.00 0.00 H new ATOM 0 HA ALA A 103 9.430 -3.417 -1.397 1.00 0.00 H new ATOM 0 HB1 ALA A 103 10.048 -4.754 0.599 1.00 0.00 H new ATOM 0 HB2 ALA A 103 10.540 -3.052 0.766 1.00 0.00 H new ATOM 0 HB3 ALA A 103 9.097 -3.650 1.620 1.00 0.00 H new ATOM 882 N GLU A 104 6.624 -4.150 0.131 1.00 0.00 N ATOM 883 CA GLU A 104 5.434 -4.992 0.065 1.00 0.00 C ATOM 884 C GLU A 104 4.808 -4.868 -1.314 1.00 0.00 C ATOM 885 O GLU A 104 4.436 -5.868 -1.938 1.00 0.00 O ATOM 886 CB GLU A 104 4.413 -4.543 1.101 1.00 0.00 C ATOM 887 CG GLU A 104 5.016 -4.141 2.448 1.00 0.00 C ATOM 888 CD GLU A 104 5.624 -5.296 3.229 1.00 0.00 C ATOM 889 OE1 GLU A 104 6.525 -5.980 2.696 1.00 0.00 O ATOM 890 OE2 GLU A 104 5.201 -5.521 4.395 1.00 0.00 O ATOM 0 H GLU A 104 6.566 -3.396 0.816 1.00 0.00 H new ATOM 0 HA GLU A 104 5.723 -6.024 0.262 1.00 0.00 H new ATOM 0 HB2 GLU A 104 3.854 -3.698 0.700 1.00 0.00 H new ATOM 0 HB3 GLU A 104 3.698 -5.350 1.263 1.00 0.00 H new ATOM 0 HG2 GLU A 104 5.785 -3.387 2.279 1.00 0.00 H new ATOM 0 HG3 GLU A 104 4.241 -3.675 3.056 1.00 0.00 H new ATOM 897 N LEU A 105 4.740 -3.624 -1.784 1.00 0.00 N ATOM 898 CA LEU A 105 4.176 -3.308 -3.084 1.00 0.00 C ATOM 899 C LEU A 105 4.915 -4.061 -4.173 1.00 0.00 C ATOM 900 O LEU A 105 4.303 -4.580 -5.085 1.00 0.00 O ATOM 901 CB LEU A 105 4.259 -1.805 -3.364 1.00 0.00 C ATOM 902 CG LEU A 105 3.141 -0.964 -2.751 1.00 0.00 C ATOM 903 CD1 LEU A 105 3.438 0.517 -2.918 1.00 0.00 C ATOM 904 CD2 LEU A 105 1.809 -1.315 -3.400 1.00 0.00 C ATOM 0 H LEU A 105 5.076 -2.810 -1.270 1.00 0.00 H new ATOM 0 HA LEU A 105 3.128 -3.609 -3.078 1.00 0.00 H new ATOM 0 HB2 LEU A 105 5.215 -1.435 -2.993 1.00 0.00 H new ATOM 0 HB3 LEU A 105 4.256 -1.652 -4.443 1.00 0.00 H new ATOM 0 HG LEU A 105 3.081 -1.184 -1.685 1.00 0.00 H new ATOM 0 HD11 LEU A 105 2.632 1.102 -2.476 1.00 0.00 H new ATOM 0 HD12 LEU A 105 4.377 0.758 -2.419 1.00 0.00 H new ATOM 0 HD13 LEU A 105 3.519 0.755 -3.979 1.00 0.00 H new ATOM 0 HD21 LEU A 105 1.018 -0.710 -2.957 1.00 0.00 H new ATOM 0 HD22 LEU A 105 1.862 -1.115 -4.470 1.00 0.00 H new ATOM 0 HD23 LEU A 105 1.593 -2.371 -3.238 1.00 0.00 H new ATOM 916 N ARG A 106 6.230 -4.155 -4.056 1.00 0.00 N ATOM 917 CA ARG A 106 7.008 -4.805 -5.096 1.00 0.00 C ATOM 918 C ARG A 106 6.657 -6.294 -5.158 1.00 0.00 C ATOM 919 O ARG A 106 6.390 -6.820 -6.234 1.00 0.00 O ATOM 920 CB ARG A 106 8.514 -4.585 -4.902 1.00 0.00 C ATOM 921 CG ARG A 106 9.221 -5.720 -4.198 1.00 0.00 C ATOM 922 CD ARG A 106 10.722 -5.538 -4.209 1.00 0.00 C ATOM 923 NE ARG A 106 11.424 -6.728 -3.738 1.00 0.00 N ATOM 924 CZ ARG A 106 12.744 -6.883 -3.814 1.00 0.00 C ATOM 925 NH1 ARG A 106 13.498 -5.926 -4.343 1.00 0.00 N ATOM 926 NH2 ARG A 106 13.316 -7.991 -3.361 1.00 0.00 N ATOM 0 H ARG A 106 6.771 -3.798 -3.269 1.00 0.00 H new ATOM 0 HA ARG A 106 6.750 -4.350 -6.052 1.00 0.00 H new ATOM 0 HB2 ARG A 106 8.976 -4.434 -5.877 1.00 0.00 H new ATOM 0 HB3 ARG A 106 8.665 -3.668 -4.332 1.00 0.00 H new ATOM 0 HG2 ARG A 106 8.870 -5.784 -3.168 1.00 0.00 H new ATOM 0 HG3 ARG A 106 8.965 -6.663 -4.681 1.00 0.00 H new ATOM 0 HD2 ARG A 106 11.050 -5.301 -5.221 1.00 0.00 H new ATOM 0 HD3 ARG A 106 10.988 -4.688 -3.580 1.00 0.00 H new ATOM 0 HE ARG A 106 10.873 -7.482 -3.328 1.00 0.00 H new ATOM 0 HH11 ARG A 106 13.066 -5.070 -4.692 1.00 0.00 H new ATOM 0 HH12 ARG A 106 14.509 -6.047 -4.400 1.00 0.00 H new ATOM 0 HH21 ARG A 106 12.744 -8.730 -2.952 1.00 0.00 H new ATOM 0 HH22 ARG A 106 14.328 -8.104 -3.422 1.00 0.00 H new ATOM 940 N HIS A 107 6.630 -6.951 -3.998 1.00 0.00 N ATOM 941 CA HIS A 107 6.295 -8.377 -3.915 1.00 0.00 C ATOM 942 C HIS A 107 4.949 -8.681 -4.568 1.00 0.00 C ATOM 943 O HIS A 107 4.800 -9.673 -5.274 1.00 0.00 O ATOM 944 CB HIS A 107 6.281 -8.826 -2.449 1.00 0.00 C ATOM 945 CG HIS A 107 5.945 -10.277 -2.237 1.00 0.00 C ATOM 946 ND1 HIS A 107 6.898 -11.250 -2.015 1.00 0.00 N ATOM 947 CD2 HIS A 107 4.748 -10.907 -2.165 1.00 0.00 C ATOM 948 CE1 HIS A 107 6.300 -12.410 -1.820 1.00 0.00 C ATOM 949 NE2 HIS A 107 4.997 -12.231 -1.905 1.00 0.00 N ATOM 0 H HIS A 107 6.837 -6.518 -3.098 1.00 0.00 H new ATOM 0 HA HIS A 107 7.060 -8.931 -4.460 1.00 0.00 H new ATOM 0 HB2 HIS A 107 7.260 -8.627 -2.013 1.00 0.00 H new ATOM 0 HB3 HIS A 107 5.560 -8.217 -1.904 1.00 0.00 H new ATOM 0 HD2 HIS A 107 3.777 -10.451 -2.289 1.00 0.00 H new ATOM 0 HE1 HIS A 107 6.796 -13.349 -1.624 1.00 0.00 H new ATOM 0 HE2 HIS A 107 4.290 -12.958 -1.795 1.00 0.00 H new ATOM 958 N VAL A 108 3.977 -7.826 -4.323 1.00 0.00 N ATOM 959 CA VAL A 108 2.634 -8.058 -4.830 1.00 0.00 C ATOM 960 C VAL A 108 2.487 -7.554 -6.267 1.00 0.00 C ATOM 961 O VAL A 108 2.012 -8.272 -7.147 1.00 0.00 O ATOM 962 CB VAL A 108 1.554 -7.407 -3.933 1.00 0.00 C ATOM 963 CG1 VAL A 108 1.787 -5.911 -3.789 1.00 0.00 C ATOM 964 CG2 VAL A 108 0.161 -7.684 -4.484 1.00 0.00 C ATOM 0 H VAL A 108 4.087 -6.969 -3.780 1.00 0.00 H new ATOM 0 HA VAL A 108 2.480 -9.137 -4.817 1.00 0.00 H new ATOM 0 HB VAL A 108 1.628 -7.853 -2.941 1.00 0.00 H new ATOM 0 HG11 VAL A 108 1.012 -5.482 -3.153 1.00 0.00 H new ATOM 0 HG12 VAL A 108 2.764 -5.737 -3.338 1.00 0.00 H new ATOM 0 HG13 VAL A 108 1.752 -5.441 -4.772 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -0.584 -7.218 -3.840 1.00 0.00 H new ATOM 0 HG22 VAL A 108 0.079 -7.272 -5.490 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -0.010 -8.760 -4.517 1.00 0.00 H new ATOM 974 N MET A 109 2.936 -6.326 -6.487 1.00 0.00 N ATOM 975 CA MET A 109 2.623 -5.582 -7.695 1.00 0.00 C ATOM 976 C MET A 109 3.400 -6.083 -8.912 1.00 0.00 C ATOM 977 O MET A 109 2.817 -6.718 -9.791 1.00 0.00 O ATOM 978 CB MET A 109 2.885 -4.093 -7.453 1.00 0.00 C ATOM 979 CG MET A 109 2.173 -3.176 -8.438 1.00 0.00 C ATOM 980 SD MET A 109 0.376 -3.298 -8.325 1.00 0.00 S ATOM 981 CE MET A 109 -0.121 -2.118 -9.576 1.00 0.00 C ATOM 0 H MET A 109 3.529 -5.818 -5.830 1.00 0.00 H new ATOM 0 HA MET A 109 1.569 -5.738 -7.923 1.00 0.00 H new ATOM 0 HB2 MET A 109 2.570 -3.838 -6.441 1.00 0.00 H new ATOM 0 HB3 MET A 109 3.958 -3.908 -7.509 1.00 0.00 H new ATOM 0 HG2 MET A 109 2.476 -2.145 -8.253 1.00 0.00 H new ATOM 0 HG3 MET A 109 2.487 -3.424 -9.452 1.00 0.00 H new ATOM 0 HE1 MET A 109 -1.209 -2.079 -9.627 1.00 0.00 H new ATOM 0 HE2 MET A 109 0.266 -1.132 -9.320 1.00 0.00 H new ATOM 0 HE3 MET A 109 0.277 -2.424 -10.543 1.00 0.00 H new ATOM 991 N THR A 110 4.705 -5.819 -8.985 1.00 0.00 N ATOM 992 CA THR A 110 5.461 -6.164 -10.186 1.00 0.00 C ATOM 993 C THR A 110 6.636 -7.107 -9.902 1.00 0.00 C ATOM 994 O THR A 110 6.949 -7.972 -10.718 1.00 0.00 O ATOM 995 CB THR A 110 6.004 -4.891 -10.866 1.00 0.00 C ATOM 996 OG1 THR A 110 6.787 -4.133 -9.931 1.00 0.00 O ATOM 997 CG2 THR A 110 4.870 -4.028 -11.397 1.00 0.00 C ATOM 0 H THR A 110 5.249 -5.377 -8.244 1.00 0.00 H new ATOM 0 HA THR A 110 4.763 -6.683 -10.844 1.00 0.00 H new ATOM 0 HB THR A 110 6.628 -5.196 -11.706 1.00 0.00 H new ATOM 0 HG1 THR A 110 7.130 -3.327 -10.370 1.00 0.00 H new ATOM 0 HG21 THR A 110 5.282 -3.137 -11.871 1.00 0.00 H new ATOM 0 HG22 THR A 110 4.293 -4.595 -12.128 1.00 0.00 H new ATOM 0 HG23 THR A 110 4.221 -3.733 -10.573 1.00 0.00 H new ATOM 1005 N ASN A 111 7.290 -6.934 -8.758 1.00 0.00 N ATOM 1006 CA ASN A 111 8.501 -7.695 -8.448 1.00 0.00 C ATOM 1007 C ASN A 111 8.199 -9.072 -7.871 1.00 0.00 C ATOM 1008 O ASN A 111 7.046 -9.501 -7.834 1.00 0.00 O ATOM 1009 CB ASN A 111 9.423 -6.926 -7.500 1.00 0.00 C ATOM 1010 CG ASN A 111 10.310 -5.925 -8.217 1.00 0.00 C ATOM 1011 OD1 ASN A 111 10.690 -4.900 -7.653 1.00 0.00 O ATOM 1012 ND2 ASN A 111 10.655 -6.219 -9.461 1.00 0.00 N ATOM 0 H ASN A 111 7.006 -6.277 -8.031 1.00 0.00 H new ATOM 0 HA ASN A 111 9.013 -7.839 -9.400 1.00 0.00 H new ATOM 0 HB2 ASN A 111 8.818 -6.402 -6.760 1.00 0.00 H new ATOM 0 HB3 ASN A 111 10.049 -7.634 -6.957 1.00 0.00 H new ATOM 0 HD21 ASN A 111 11.257 -5.585 -9.987 1.00 0.00 H new ATOM 0 HD22 ASN A 111 10.319 -7.079 -9.894 1.00 0.00 H new