USER MOD reduce.3.24.130724 H: found=0, std=0, add=1104, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 1099 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 54 HIS : no HD1:sc= -0.195! C(o=-2.3!,f=-7.7!) USER MOD Set 1.2: A 129 GLN : amide:sc= -1.33 X(o=-2.3,f=-2.1) USER MOD Set 1.3: A 132 LYS NZ :NH3+ 148:sc= -0.758 (180deg=-2.57!) USER MOD Set 2.1: A 47 CYS SG : rot -104:sc= 0.217 USER MOD Set 2.2: A 49 THR OG1 : rot 150:sc= 0.28 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -126:sc= 0.476 (180deg=-2.64!) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 GLN : amide:sc= -0.0355 X(o=-0.036,f=-0.29) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 GLN : amide:sc= -0.255 K(o=-0.26,f=-2.5!) USER MOD Single : A 28 TYR OH : rot 115:sc= -1.35 USER MOD Single : A 31 LYS NZ :NH3+ 149:sc= -0.174 (180deg=-1.21!) USER MOD Single : A 45 HIS : no HD1:sc= -0.0438 K(o=-0.044,f=-0.93) USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 TYR OH : rot 30:sc= -0.217 USER MOD Single : A 67 HIS : no HD1:sc= -1.21 K(o=-1.2,f=-2.6!) USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 102 TYR OH : rot 15:sc= -5.03! USER MOD Single : A 105 TYR OH : rot 180:sc= 0 USER MOD Single : A 112 THR OG1 : rot -17:sc= -0.0454! USER MOD Single : A 127 GLN : amide:sc= -5! C(o=-5!,f=-7!) USER MOD Single : A 135 THR OG1 : rot -56:sc= 0.276 USER MOD Single : A 136 SER OG : rot -23:sc= 0.642 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.184 -7.227 7.529 1.00 0.00 N ATOM 2 CA MET A 1 11.412 -5.814 7.279 1.00 0.00 C ATOM 3 C MET A 1 10.642 -5.346 6.042 1.00 0.00 C ATOM 4 O MET A 1 10.199 -6.162 5.236 1.00 0.00 O ATOM 5 CB MET A 1 12.908 -5.566 7.073 1.00 0.00 C ATOM 6 CG MET A 1 13.329 -4.226 7.678 1.00 0.00 C ATOM 7 SD MET A 1 15.109 -4.107 7.720 1.00 0.00 S ATOM 8 CE MET A 1 15.414 -4.608 9.406 1.00 0.00 C ATOM 0 H1 MET A 1 10.852 -7.358 8.506 1.00 0.00 H new ATOM 0 H2 MET A 1 10.465 -7.585 6.868 1.00 0.00 H new ATOM 0 H3 MET A 1 12.072 -7.751 7.392 1.00 0.00 H new ATOM 0 HA MET A 1 11.057 -5.250 8.141 1.00 0.00 H new ATOM 0 HB2 MET A 1 13.481 -6.372 7.532 1.00 0.00 H new ATOM 0 HB3 MET A 1 13.139 -5.577 6.008 1.00 0.00 H new ATOM 0 HG2 MET A 1 12.915 -3.406 7.090 1.00 0.00 H new ATOM 0 HG3 MET A 1 12.926 -4.130 8.686 1.00 0.00 H new ATOM 0 HE1 MET A 1 16.486 -4.590 9.603 1.00 0.00 H new ATOM 0 HE2 MET A 1 14.908 -3.923 10.086 1.00 0.00 H new ATOM 0 HE3 MET A 1 15.034 -5.618 9.560 1.00 0.00 H new ATOM 18 N VAL A 2 10.507 -4.032 5.931 1.00 0.00 N ATOM 19 CA VAL A 2 9.798 -3.446 4.806 1.00 0.00 C ATOM 20 C VAL A 2 10.308 -4.070 3.506 1.00 0.00 C ATOM 21 O VAL A 2 11.504 -4.316 3.358 1.00 0.00 O ATOM 22 CB VAL A 2 9.942 -1.923 4.835 1.00 0.00 C ATOM 23 CG1 VAL A 2 9.016 -1.265 3.809 1.00 0.00 C ATOM 24 CG2 VAL A 2 9.683 -1.373 6.239 1.00 0.00 C ATOM 0 H VAL A 2 10.876 -3.357 6.601 1.00 0.00 H new ATOM 0 HA VAL A 2 8.731 -3.661 4.872 1.00 0.00 H new ATOM 0 HB VAL A 2 10.969 -1.679 4.565 1.00 0.00 H new ATOM 0 HG11 VAL A 2 9.138 -0.183 3.850 1.00 0.00 H new ATOM 0 HG12 VAL A 2 9.268 -1.621 2.810 1.00 0.00 H new ATOM 0 HG13 VAL A 2 7.981 -1.522 4.035 1.00 0.00 H new ATOM 0 HG21 VAL A 2 9.792 -0.288 6.231 1.00 0.00 H new ATOM 0 HG22 VAL A 2 8.672 -1.634 6.551 1.00 0.00 H new ATOM 0 HG23 VAL A 2 10.401 -1.804 6.937 1.00 0.00 H new ATOM 34 N PRO A 3 9.351 -4.315 2.572 1.00 0.00 N ATOM 35 CA PRO A 3 9.691 -4.906 1.289 1.00 0.00 C ATOM 36 C PRO A 3 10.368 -3.883 0.376 1.00 0.00 C ATOM 37 O PRO A 3 10.468 -2.707 0.723 1.00 0.00 O ATOM 38 CB PRO A 3 8.373 -5.420 0.731 1.00 0.00 C ATOM 39 CG PRO A 3 7.283 -4.691 1.499 1.00 0.00 C ATOM 40 CD PRO A 3 7.924 -4.038 2.712 1.00 0.00 C ATOM 0 HA PRO A 3 10.414 -5.717 1.378 1.00 0.00 H new ATOM 0 HB2 PRO A 3 8.297 -5.221 -0.338 1.00 0.00 H new ATOM 0 HB3 PRO A 3 8.288 -6.499 0.861 1.00 0.00 H new ATOM 0 HG2 PRO A 3 6.808 -3.940 0.868 1.00 0.00 H new ATOM 0 HG3 PRO A 3 6.503 -5.387 1.808 1.00 0.00 H new ATOM 0 HD2 PRO A 3 7.729 -2.966 2.734 1.00 0.00 H new ATOM 0 HD3 PRO A 3 7.529 -4.453 3.640 1.00 0.00 H new ATOM 48 N PRO A 4 10.826 -4.379 -0.804 1.00 0.00 N ATOM 49 CA PRO A 4 11.491 -3.521 -1.770 1.00 0.00 C ATOM 50 C PRO A 4 10.482 -2.630 -2.498 1.00 0.00 C ATOM 51 O PRO A 4 10.637 -1.410 -2.531 1.00 0.00 O ATOM 52 CB PRO A 4 12.225 -4.472 -2.702 1.00 0.00 C ATOM 53 CG PRO A 4 11.572 -5.831 -2.509 1.00 0.00 C ATOM 54 CD PRO A 4 10.725 -5.766 -1.249 1.00 0.00 C ATOM 0 HA PRO A 4 12.188 -2.824 -1.304 1.00 0.00 H new ATOM 0 HB2 PRO A 4 12.144 -4.143 -3.738 1.00 0.00 H new ATOM 0 HB3 PRO A 4 13.288 -4.512 -2.462 1.00 0.00 H new ATOM 0 HG2 PRO A 4 10.955 -6.084 -3.371 1.00 0.00 H new ATOM 0 HG3 PRO A 4 12.330 -6.609 -2.420 1.00 0.00 H new ATOM 0 HD2 PRO A 4 9.690 -6.042 -1.453 1.00 0.00 H new ATOM 0 HD3 PRO A 4 11.094 -6.454 -0.488 1.00 0.00 H new ATOM 62 N LYS A 5 9.471 -3.274 -3.062 1.00 0.00 N ATOM 63 CA LYS A 5 8.437 -2.556 -3.787 1.00 0.00 C ATOM 64 C LYS A 5 8.128 -1.245 -3.061 1.00 0.00 C ATOM 65 O LYS A 5 7.898 -0.218 -3.697 1.00 0.00 O ATOM 66 CB LYS A 5 7.211 -3.447 -3.996 1.00 0.00 C ATOM 67 CG LYS A 5 7.225 -4.082 -5.388 1.00 0.00 C ATOM 68 CD LYS A 5 6.691 -3.108 -6.440 1.00 0.00 C ATOM 69 CE LYS A 5 5.220 -3.390 -6.752 1.00 0.00 C ATOM 70 NZ LYS A 5 4.702 -2.412 -7.735 1.00 0.00 N ATOM 0 H LYS A 5 9.346 -4.286 -3.031 1.00 0.00 H new ATOM 0 HA LYS A 5 8.785 -2.294 -4.786 1.00 0.00 H new ATOM 0 HB2 LYS A 5 7.191 -4.228 -3.236 1.00 0.00 H new ATOM 0 HB3 LYS A 5 6.303 -2.857 -3.871 1.00 0.00 H new ATOM 0 HG2 LYS A 5 8.241 -4.380 -5.646 1.00 0.00 H new ATOM 0 HG3 LYS A 5 6.619 -4.988 -5.385 1.00 0.00 H new ATOM 0 HD2 LYS A 5 6.801 -2.084 -6.082 1.00 0.00 H new ATOM 0 HD3 LYS A 5 7.282 -3.192 -7.352 1.00 0.00 H new ATOM 0 HE2 LYS A 5 5.113 -4.401 -7.145 1.00 0.00 H new ATOM 0 HE3 LYS A 5 4.632 -3.340 -5.836 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 3.702 -2.618 -7.936 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 4.787 -1.451 -7.346 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 5.253 -2.479 -8.615 1.00 0.00 H new ATOM 84 N LEU A 6 8.134 -1.323 -1.738 1.00 0.00 N ATOM 85 CA LEU A 6 7.857 -0.156 -0.918 1.00 0.00 C ATOM 86 C LEU A 6 9.146 0.647 -0.730 1.00 0.00 C ATOM 87 O LEU A 6 9.227 1.803 -1.142 1.00 0.00 O ATOM 88 CB LEU A 6 7.193 -0.570 0.396 1.00 0.00 C ATOM 89 CG LEU A 6 6.287 0.477 1.049 1.00 0.00 C ATOM 90 CD1 LEU A 6 6.673 0.699 2.513 1.00 0.00 C ATOM 91 CD2 LEU A 6 6.293 1.782 0.250 1.00 0.00 C ATOM 0 H LEU A 6 8.326 -2.177 -1.214 1.00 0.00 H new ATOM 0 HA LEU A 6 7.143 0.499 -1.416 1.00 0.00 H new ATOM 0 HB2 LEU A 6 6.604 -1.469 0.215 1.00 0.00 H new ATOM 0 HB3 LEU A 6 7.975 -0.839 1.106 1.00 0.00 H new ATOM 0 HG LEU A 6 5.265 0.099 1.039 1.00 0.00 H new ATOM 0 HD11 LEU A 6 6.014 1.447 2.954 1.00 0.00 H new ATOM 0 HD12 LEU A 6 6.576 -0.238 3.061 1.00 0.00 H new ATOM 0 HD13 LEU A 6 7.705 1.046 2.569 1.00 0.00 H new ATOM 0 HD21 LEU A 6 5.642 2.509 0.735 1.00 0.00 H new ATOM 0 HD22 LEU A 6 7.308 2.177 0.206 1.00 0.00 H new ATOM 0 HD23 LEU A 6 5.934 1.591 -0.761 1.00 0.00 H new ATOM 103 N LYS A 7 10.121 0.002 -0.108 1.00 0.00 N ATOM 104 CA LYS A 7 11.402 0.641 0.140 1.00 0.00 C ATOM 105 C LYS A 7 11.811 1.449 -1.093 1.00 0.00 C ATOM 106 O LYS A 7 12.441 2.499 -0.971 1.00 0.00 O ATOM 107 CB LYS A 7 12.444 -0.394 0.570 1.00 0.00 C ATOM 108 CG LYS A 7 13.643 0.280 1.239 1.00 0.00 C ATOM 109 CD LYS A 7 13.696 -0.051 2.732 1.00 0.00 C ATOM 110 CE LYS A 7 14.885 0.638 3.404 1.00 0.00 C ATOM 111 NZ LYS A 7 15.453 -0.224 4.465 1.00 0.00 N ATOM 0 H LYS A 7 10.050 -0.957 0.232 1.00 0.00 H new ATOM 0 HA LYS A 7 11.323 1.343 0.970 1.00 0.00 H new ATOM 0 HB2 LYS A 7 11.991 -1.106 1.260 1.00 0.00 H new ATOM 0 HB3 LYS A 7 12.779 -0.961 -0.299 1.00 0.00 H new ATOM 0 HG2 LYS A 7 14.564 -0.048 0.757 1.00 0.00 H new ATOM 0 HG3 LYS A 7 13.580 1.360 1.104 1.00 0.00 H new ATOM 0 HD2 LYS A 7 12.769 0.265 3.211 1.00 0.00 H new ATOM 0 HD3 LYS A 7 13.773 -1.130 2.867 1.00 0.00 H new ATOM 0 HE2 LYS A 7 15.650 0.862 2.661 1.00 0.00 H new ATOM 0 HE3 LYS A 7 14.568 1.589 3.831 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 16.259 0.259 4.910 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 14.725 -0.417 5.182 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 15.774 -1.121 4.048 1.00 0.00 H new ATOM 125 N GLN A 8 11.436 0.930 -2.253 1.00 0.00 N ATOM 126 CA GLN A 8 11.756 1.590 -3.507 1.00 0.00 C ATOM 127 C GLN A 8 10.977 2.901 -3.631 1.00 0.00 C ATOM 128 O GLN A 8 11.554 3.944 -3.932 1.00 0.00 O ATOM 129 CB GLN A 8 11.475 0.671 -4.697 1.00 0.00 C ATOM 130 CG GLN A 8 12.714 0.527 -5.583 1.00 0.00 C ATOM 131 CD GLN A 8 12.560 1.330 -6.876 1.00 0.00 C ATOM 132 OE1 GLN A 8 11.552 1.264 -7.562 1.00 0.00 O ATOM 133 NE2 GLN A 8 13.611 2.090 -7.170 1.00 0.00 N ATOM 0 H GLN A 8 10.913 0.060 -2.351 1.00 0.00 H new ATOM 0 HA GLN A 8 12.821 1.821 -3.512 1.00 0.00 H new ATOM 0 HB2 GLN A 8 11.164 -0.310 -4.338 1.00 0.00 H new ATOM 0 HB3 GLN A 8 10.649 1.072 -5.284 1.00 0.00 H new ATOM 0 HG2 GLN A 8 13.595 0.870 -5.041 1.00 0.00 H new ATOM 0 HG3 GLN A 8 12.875 -0.524 -5.821 1.00 0.00 H new ATOM 0 HE21 GLN A 8 14.423 2.099 -6.553 1.00 0.00 H new ATOM 0 HE22 GLN A 8 13.605 2.664 -8.013 1.00 0.00 H new ATOM 142 N ALA A 9 9.677 2.804 -3.392 1.00 0.00 N ATOM 143 CA ALA A 9 8.812 3.969 -3.473 1.00 0.00 C ATOM 144 C ALA A 9 9.308 5.035 -2.494 1.00 0.00 C ATOM 145 O ALA A 9 9.464 6.198 -2.863 1.00 0.00 O ATOM 146 CB ALA A 9 7.366 3.552 -3.198 1.00 0.00 C ATOM 0 H ALA A 9 9.202 1.937 -3.142 1.00 0.00 H new ATOM 0 HA ALA A 9 8.841 4.400 -4.474 1.00 0.00 H new ATOM 0 HB1 ALA A 9 6.717 4.426 -3.259 1.00 0.00 H new ATOM 0 HB2 ALA A 9 7.053 2.815 -3.938 1.00 0.00 H new ATOM 0 HB3 ALA A 9 7.296 3.117 -2.201 1.00 0.00 H new ATOM 152 N LEU A 10 9.541 4.601 -1.264 1.00 0.00 N ATOM 153 CA LEU A 10 10.015 5.504 -0.229 1.00 0.00 C ATOM 154 C LEU A 10 11.382 6.061 -0.631 1.00 0.00 C ATOM 155 O LEU A 10 11.544 7.272 -0.776 1.00 0.00 O ATOM 156 CB LEU A 10 10.012 4.806 1.133 1.00 0.00 C ATOM 157 CG LEU A 10 8.651 4.319 1.634 1.00 0.00 C ATOM 158 CD1 LEU A 10 8.809 3.422 2.864 1.00 0.00 C ATOM 159 CD2 LEU A 10 7.711 5.496 1.900 1.00 0.00 C ATOM 0 H LEU A 10 9.410 3.636 -0.961 1.00 0.00 H new ATOM 0 HA LEU A 10 9.341 6.355 -0.128 1.00 0.00 H new ATOM 0 HB2 LEU A 10 10.686 3.951 1.082 1.00 0.00 H new ATOM 0 HB3 LEU A 10 10.424 5.493 1.872 1.00 0.00 H new ATOM 0 HG LEU A 10 8.195 3.714 0.850 1.00 0.00 H new ATOM 0 HD11 LEU A 10 7.827 3.089 3.200 1.00 0.00 H new ATOM 0 HD12 LEU A 10 9.417 2.555 2.606 1.00 0.00 H new ATOM 0 HD13 LEU A 10 9.295 3.982 3.663 1.00 0.00 H new ATOM 0 HD21 LEU A 10 6.751 5.122 2.255 1.00 0.00 H new ATOM 0 HD22 LEU A 10 8.149 6.147 2.656 1.00 0.00 H new ATOM 0 HD23 LEU A 10 7.563 6.059 0.978 1.00 0.00 H new ATOM 171 N GLU A 11 12.330 5.151 -0.800 1.00 0.00 N ATOM 172 CA GLU A 11 13.677 5.537 -1.183 1.00 0.00 C ATOM 173 C GLU A 11 13.635 6.521 -2.354 1.00 0.00 C ATOM 174 O GLU A 11 14.318 7.544 -2.335 1.00 0.00 O ATOM 175 CB GLU A 11 14.522 4.309 -1.529 1.00 0.00 C ATOM 176 CG GLU A 11 15.040 3.625 -0.263 1.00 0.00 C ATOM 177 CD GLU A 11 16.299 2.808 -0.557 1.00 0.00 C ATOM 178 OE1 GLU A 11 16.211 1.925 -1.437 1.00 0.00 O ATOM 179 OE2 GLU A 11 17.323 3.085 0.106 1.00 0.00 O ATOM 0 H GLU A 11 12.192 4.148 -0.679 1.00 0.00 H new ATOM 0 HA GLU A 11 14.147 6.033 -0.334 1.00 0.00 H new ATOM 0 HB2 GLU A 11 13.926 3.605 -2.109 1.00 0.00 H new ATOM 0 HB3 GLU A 11 15.363 4.607 -2.156 1.00 0.00 H new ATOM 0 HG2 GLU A 11 15.258 4.376 0.497 1.00 0.00 H new ATOM 0 HG3 GLU A 11 14.267 2.974 0.145 1.00 0.00 H new ATOM 186 N LEU A 12 12.827 6.177 -3.346 1.00 0.00 N ATOM 187 CA LEU A 12 12.687 7.017 -4.523 1.00 0.00 C ATOM 188 C LEU A 12 12.111 8.373 -4.111 1.00 0.00 C ATOM 189 O LEU A 12 12.486 9.405 -4.665 1.00 0.00 O ATOM 190 CB LEU A 12 11.866 6.302 -5.598 1.00 0.00 C ATOM 191 CG LEU A 12 11.452 7.150 -6.802 1.00 0.00 C ATOM 192 CD1 LEU A 12 12.679 7.681 -7.546 1.00 0.00 C ATOM 193 CD2 LEU A 12 10.514 6.371 -7.726 1.00 0.00 C ATOM 0 H LEU A 12 12.262 5.328 -3.359 1.00 0.00 H new ATOM 0 HA LEU A 12 13.662 7.207 -4.973 1.00 0.00 H new ATOM 0 HB2 LEU A 12 12.442 5.450 -5.960 1.00 0.00 H new ATOM 0 HB3 LEU A 12 10.965 5.903 -5.133 1.00 0.00 H new ATOM 0 HG LEU A 12 10.898 8.014 -6.436 1.00 0.00 H new ATOM 0 HD11 LEU A 12 12.357 8.281 -8.397 1.00 0.00 H new ATOM 0 HD12 LEU A 12 13.274 8.298 -6.872 1.00 0.00 H new ATOM 0 HD13 LEU A 12 13.281 6.844 -7.899 1.00 0.00 H new ATOM 0 HD21 LEU A 12 10.235 6.997 -8.573 1.00 0.00 H new ATOM 0 HD22 LEU A 12 11.020 5.476 -8.087 1.00 0.00 H new ATOM 0 HD23 LEU A 12 9.617 6.084 -7.176 1.00 0.00 H new ATOM 205 N PHE A 13 11.209 8.327 -3.142 1.00 0.00 N ATOM 206 CA PHE A 13 10.577 9.539 -2.649 1.00 0.00 C ATOM 207 C PHE A 13 11.611 10.484 -2.031 1.00 0.00 C ATOM 208 O PHE A 13 11.783 11.610 -2.494 1.00 0.00 O ATOM 209 CB PHE A 13 9.580 9.117 -1.568 1.00 0.00 C ATOM 210 CG PHE A 13 8.441 10.114 -1.348 1.00 0.00 C ATOM 211 CD1 PHE A 13 7.527 10.330 -2.333 1.00 0.00 C ATOM 212 CD2 PHE A 13 8.341 10.783 -0.169 1.00 0.00 C ATOM 213 CE1 PHE A 13 6.470 11.255 -2.129 1.00 0.00 C ATOM 214 CE2 PHE A 13 7.283 11.709 0.035 1.00 0.00 C ATOM 215 CZ PHE A 13 6.370 11.925 -0.949 1.00 0.00 C ATOM 0 H PHE A 13 10.901 7.469 -2.685 1.00 0.00 H new ATOM 0 HA PHE A 13 10.089 10.064 -3.470 1.00 0.00 H new ATOM 0 HB2 PHE A 13 9.155 8.150 -1.837 1.00 0.00 H new ATOM 0 HB3 PHE A 13 10.115 8.980 -0.628 1.00 0.00 H new ATOM 0 HD1 PHE A 13 7.606 9.798 -3.269 1.00 0.00 H new ATOM 0 HD2 PHE A 13 9.066 10.611 0.613 1.00 0.00 H new ATOM 0 HE1 PHE A 13 5.745 11.427 -2.911 1.00 0.00 H new ATOM 0 HE2 PHE A 13 7.204 12.241 0.971 1.00 0.00 H new ATOM 0 HZ PHE A 13 5.565 12.628 -0.794 1.00 0.00 H new ATOM 225 N LYS A 14 12.272 9.990 -0.994 1.00 0.00 N ATOM 226 CA LYS A 14 13.283 10.775 -0.308 1.00 0.00 C ATOM 227 C LYS A 14 14.348 11.217 -1.314 1.00 0.00 C ATOM 228 O LYS A 14 15.108 12.148 -1.050 1.00 0.00 O ATOM 229 CB LYS A 14 13.847 9.999 0.883 1.00 0.00 C ATOM 230 CG LYS A 14 14.657 10.917 1.802 1.00 0.00 C ATOM 231 CD LYS A 14 15.337 10.117 2.915 1.00 0.00 C ATOM 232 CE LYS A 14 16.852 10.063 2.703 1.00 0.00 C ATOM 233 NZ LYS A 14 17.495 9.265 3.770 1.00 0.00 N ATOM 0 H LYS A 14 12.127 9.055 -0.613 1.00 0.00 H new ATOM 0 HA LYS A 14 12.843 11.680 0.111 1.00 0.00 H new ATOM 0 HB2 LYS A 14 13.031 9.544 1.445 1.00 0.00 H new ATOM 0 HB3 LYS A 14 14.479 9.186 0.526 1.00 0.00 H new ATOM 0 HG2 LYS A 14 15.409 11.449 1.219 1.00 0.00 H new ATOM 0 HG3 LYS A 14 14.001 11.670 2.239 1.00 0.00 H new ATOM 0 HD2 LYS A 14 15.117 10.571 3.881 1.00 0.00 H new ATOM 0 HD3 LYS A 14 14.933 9.105 2.939 1.00 0.00 H new ATOM 0 HE2 LYS A 14 17.074 9.626 1.730 1.00 0.00 H new ATOM 0 HE3 LYS A 14 17.261 11.073 2.699 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 18.523 9.238 3.612 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 17.298 9.699 4.694 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 17.117 8.296 3.755 1.00 0.00 H new ATOM 247 N SER A 15 14.369 10.529 -2.446 1.00 0.00 N ATOM 248 CA SER A 15 15.328 10.839 -3.493 1.00 0.00 C ATOM 249 C SER A 15 14.730 11.856 -4.467 1.00 0.00 C ATOM 250 O SER A 15 15.428 12.750 -4.944 1.00 0.00 O ATOM 251 CB SER A 15 15.755 9.575 -4.241 1.00 0.00 C ATOM 252 OG SER A 15 17.061 9.699 -4.798 1.00 0.00 O ATOM 0 H SER A 15 13.737 9.758 -2.661 1.00 0.00 H new ATOM 0 HA SER A 15 16.214 11.270 -3.027 1.00 0.00 H new ATOM 0 HB2 SER A 15 15.731 8.725 -3.559 1.00 0.00 H new ATOM 0 HB3 SER A 15 15.040 9.366 -5.037 1.00 0.00 H new ATOM 0 HG SER A 15 17.297 8.871 -5.266 1.00 0.00 H new ATOM 258 N LEU A 16 13.443 11.686 -4.734 1.00 0.00 N ATOM 259 CA LEU A 16 12.743 12.577 -5.642 1.00 0.00 C ATOM 260 C LEU A 16 12.674 13.976 -5.025 1.00 0.00 C ATOM 261 O LEU A 16 12.753 14.125 -3.807 1.00 0.00 O ATOM 262 CB LEU A 16 11.375 12.000 -6.011 1.00 0.00 C ATOM 263 CG LEU A 16 11.369 10.943 -7.118 1.00 0.00 C ATOM 264 CD1 LEU A 16 9.949 10.440 -7.387 1.00 0.00 C ATOM 265 CD2 LEU A 16 12.039 11.474 -8.386 1.00 0.00 C ATOM 0 H LEU A 16 12.867 10.944 -4.337 1.00 0.00 H new ATOM 0 HA LEU A 16 13.288 12.669 -6.581 1.00 0.00 H new ATOM 0 HB2 LEU A 16 10.934 11.562 -5.116 1.00 0.00 H new ATOM 0 HB3 LEU A 16 10.727 12.821 -6.317 1.00 0.00 H new ATOM 0 HG LEU A 16 11.954 10.089 -6.779 1.00 0.00 H new ATOM 0 HD11 LEU A 16 9.972 9.690 -8.178 1.00 0.00 H new ATOM 0 HD12 LEU A 16 9.542 9.997 -6.478 1.00 0.00 H new ATOM 0 HD13 LEU A 16 9.320 11.274 -7.697 1.00 0.00 H new ATOM 0 HD21 LEU A 16 12.021 10.703 -9.157 1.00 0.00 H new ATOM 0 HD22 LEU A 16 11.502 12.354 -8.740 1.00 0.00 H new ATOM 0 HD23 LEU A 16 13.072 11.744 -8.166 1.00 0.00 H new ATOM 277 N PRO A 17 12.524 14.991 -5.918 1.00 0.00 N ATOM 278 CA PRO A 17 12.444 16.372 -5.474 1.00 0.00 C ATOM 279 C PRO A 17 11.078 16.670 -4.853 1.00 0.00 C ATOM 280 O PRO A 17 10.045 16.302 -5.411 1.00 0.00 O ATOM 281 CB PRO A 17 12.726 17.202 -6.716 1.00 0.00 C ATOM 282 CG PRO A 17 12.494 16.274 -7.898 1.00 0.00 C ATOM 283 CD PRO A 17 12.428 14.851 -7.368 1.00 0.00 C ATOM 0 HA PRO A 17 13.161 16.603 -4.686 1.00 0.00 H new ATOM 0 HB2 PRO A 17 12.067 18.069 -6.765 1.00 0.00 H new ATOM 0 HB3 PRO A 17 13.749 17.579 -6.710 1.00 0.00 H new ATOM 0 HG2 PRO A 17 11.568 16.534 -8.411 1.00 0.00 H new ATOM 0 HG3 PRO A 17 13.300 16.373 -8.625 1.00 0.00 H new ATOM 0 HD2 PRO A 17 11.497 14.363 -7.658 1.00 0.00 H new ATOM 0 HD3 PRO A 17 13.243 14.243 -7.762 1.00 0.00 H new ATOM 291 N LYS A 18 11.116 17.335 -3.708 1.00 0.00 N ATOM 292 CA LYS A 18 9.894 17.686 -3.005 1.00 0.00 C ATOM 293 C LYS A 18 8.796 17.998 -4.025 1.00 0.00 C ATOM 294 O LYS A 18 7.831 17.246 -4.153 1.00 0.00 O ATOM 295 CB LYS A 18 10.153 18.823 -2.015 1.00 0.00 C ATOM 296 CG LYS A 18 8.865 19.230 -1.297 1.00 0.00 C ATOM 297 CD LYS A 18 9.156 19.702 0.129 1.00 0.00 C ATOM 298 CE LYS A 18 7.918 20.342 0.759 1.00 0.00 C ATOM 299 NZ LYS A 18 8.279 21.053 2.006 1.00 0.00 N ATOM 0 H LYS A 18 11.974 17.640 -3.249 1.00 0.00 H new ATOM 0 HA LYS A 18 9.545 16.845 -2.406 1.00 0.00 H new ATOM 0 HB2 LYS A 18 10.898 18.510 -1.283 1.00 0.00 H new ATOM 0 HB3 LYS A 18 10.566 19.682 -2.543 1.00 0.00 H new ATOM 0 HG2 LYS A 18 8.371 20.026 -1.853 1.00 0.00 H new ATOM 0 HG3 LYS A 18 8.177 18.385 -1.271 1.00 0.00 H new ATOM 0 HD2 LYS A 18 9.482 18.857 0.736 1.00 0.00 H new ATOM 0 HD3 LYS A 18 9.975 20.421 0.118 1.00 0.00 H new ATOM 0 HE2 LYS A 18 7.464 21.039 0.055 1.00 0.00 H new ATOM 0 HE3 LYS A 18 7.174 19.575 0.973 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 7.427 21.481 2.420 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 8.692 20.380 2.682 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 8.972 21.798 1.792 1.00 0.00 H new ATOM 313 N GLU A 19 8.981 19.108 -4.725 1.00 0.00 N ATOM 314 CA GLU A 19 8.019 19.528 -5.729 1.00 0.00 C ATOM 315 C GLU A 19 7.425 18.309 -6.438 1.00 0.00 C ATOM 316 O GLU A 19 6.208 18.204 -6.585 1.00 0.00 O ATOM 317 CB GLU A 19 8.658 20.489 -6.733 1.00 0.00 C ATOM 318 CG GLU A 19 9.597 19.743 -7.684 1.00 0.00 C ATOM 319 CD GLU A 19 10.371 20.722 -8.570 1.00 0.00 C ATOM 320 OE1 GLU A 19 11.440 21.178 -8.112 1.00 0.00 O ATOM 321 OE2 GLU A 19 9.875 20.991 -9.686 1.00 0.00 O ATOM 0 H GLU A 19 9.783 19.729 -4.616 1.00 0.00 H new ATOM 0 HA GLU A 19 7.211 20.062 -5.229 1.00 0.00 H new ATOM 0 HB2 GLU A 19 7.880 20.993 -7.306 1.00 0.00 H new ATOM 0 HB3 GLU A 19 9.212 21.262 -6.200 1.00 0.00 H new ATOM 0 HG2 GLU A 19 10.296 19.137 -7.109 1.00 0.00 H new ATOM 0 HG3 GLU A 19 9.021 19.060 -8.308 1.00 0.00 H new ATOM 328 N LEU A 20 8.312 17.419 -6.859 1.00 0.00 N ATOM 329 CA LEU A 20 7.890 16.211 -7.549 1.00 0.00 C ATOM 330 C LEU A 20 7.177 15.287 -6.560 1.00 0.00 C ATOM 331 O LEU A 20 6.087 14.791 -6.844 1.00 0.00 O ATOM 332 CB LEU A 20 9.079 15.556 -8.255 1.00 0.00 C ATOM 333 CG LEU A 20 9.476 16.163 -9.603 1.00 0.00 C ATOM 334 CD1 LEU A 20 10.506 15.286 -10.317 1.00 0.00 C ATOM 335 CD2 LEU A 20 8.243 16.423 -10.471 1.00 0.00 C ATOM 0 H LEU A 20 9.320 17.510 -6.736 1.00 0.00 H new ATOM 0 HA LEU A 20 7.174 16.451 -8.335 1.00 0.00 H new ATOM 0 HB2 LEU A 20 9.941 15.602 -7.590 1.00 0.00 H new ATOM 0 HB3 LEU A 20 8.850 14.501 -8.407 1.00 0.00 H new ATOM 0 HG LEU A 20 9.948 17.128 -9.418 1.00 0.00 H new ATOM 0 HD11 LEU A 20 10.771 15.740 -11.272 1.00 0.00 H new ATOM 0 HD12 LEU A 20 11.399 15.196 -9.698 1.00 0.00 H new ATOM 0 HD13 LEU A 20 10.083 14.296 -10.491 1.00 0.00 H new ATOM 0 HD21 LEU A 20 8.553 16.854 -11.423 1.00 0.00 H new ATOM 0 HD22 LEU A 20 7.720 15.484 -10.651 1.00 0.00 H new ATOM 0 HD23 LEU A 20 7.577 17.117 -9.958 1.00 0.00 H new ATOM 347 N ARG A 21 7.820 15.083 -5.420 1.00 0.00 N ATOM 348 CA ARG A 21 7.260 14.227 -4.388 1.00 0.00 C ATOM 349 C ARG A 21 5.751 14.450 -4.274 1.00 0.00 C ATOM 350 O ARG A 21 4.991 13.500 -4.090 1.00 0.00 O ATOM 351 CB ARG A 21 7.913 14.500 -3.032 1.00 0.00 C ATOM 352 CG ARG A 21 9.413 14.201 -3.075 1.00 0.00 C ATOM 353 CD ARG A 21 9.913 13.710 -1.715 1.00 0.00 C ATOM 354 NE ARG A 21 11.275 14.229 -1.459 1.00 0.00 N ATOM 355 CZ ARG A 21 11.533 15.397 -0.855 1.00 0.00 C ATOM 356 NH1 ARG A 21 10.523 16.174 -0.442 1.00 0.00 N ATOM 357 NH2 ARG A 21 12.800 15.788 -0.665 1.00 0.00 N ATOM 0 H ARG A 21 8.723 15.496 -5.188 1.00 0.00 H new ATOM 0 HA ARG A 21 7.457 13.193 -4.672 1.00 0.00 H new ATOM 0 HB2 ARG A 21 7.754 15.541 -2.751 1.00 0.00 H new ATOM 0 HB3 ARG A 21 7.438 13.887 -2.266 1.00 0.00 H new ATOM 0 HG2 ARG A 21 9.615 13.446 -3.835 1.00 0.00 H new ATOM 0 HG3 ARG A 21 9.958 15.099 -3.364 1.00 0.00 H new ATOM 0 HD2 ARG A 21 9.235 14.041 -0.928 1.00 0.00 H new ATOM 0 HD3 ARG A 21 9.920 12.620 -1.693 1.00 0.00 H new ATOM 0 HE ARG A 21 12.067 13.662 -1.761 1.00 0.00 H new ATOM 0 HH11 ARG A 21 9.558 15.876 -0.587 1.00 0.00 H new ATOM 0 HH12 ARG A 21 10.719 17.063 0.018 1.00 0.00 H new ATOM 0 HH21 ARG A 21 13.569 15.197 -0.980 1.00 0.00 H new ATOM 0 HH22 ARG A 21 12.996 16.677 -0.205 1.00 0.00 H new ATOM 371 N SER A 22 5.361 15.711 -4.389 1.00 0.00 N ATOM 372 CA SER A 22 3.956 16.071 -4.301 1.00 0.00 C ATOM 373 C SER A 22 3.179 15.430 -5.452 1.00 0.00 C ATOM 374 O SER A 22 2.169 14.764 -5.228 1.00 0.00 O ATOM 375 CB SER A 22 3.775 17.590 -4.319 1.00 0.00 C ATOM 376 OG SER A 22 2.553 17.989 -3.704 1.00 0.00 O ATOM 0 H SER A 22 5.994 16.496 -4.542 1.00 0.00 H new ATOM 0 HA SER A 22 3.565 15.697 -3.355 1.00 0.00 H new ATOM 0 HB2 SER A 22 4.611 18.061 -3.803 1.00 0.00 H new ATOM 0 HB3 SER A 22 3.795 17.945 -5.349 1.00 0.00 H new ATOM 0 HG SER A 22 2.475 18.965 -3.734 1.00 0.00 H new ATOM 382 N GLN A 23 3.679 15.652 -6.658 1.00 0.00 N ATOM 383 CA GLN A 23 3.044 15.104 -7.844 1.00 0.00 C ATOM 384 C GLN A 23 3.062 13.575 -7.798 1.00 0.00 C ATOM 385 O GLN A 23 2.193 12.922 -8.373 1.00 0.00 O ATOM 386 CB GLN A 23 3.718 15.622 -9.116 1.00 0.00 C ATOM 387 CG GLN A 23 4.112 17.093 -8.968 1.00 0.00 C ATOM 388 CD GLN A 23 3.921 17.848 -10.285 1.00 0.00 C ATOM 389 OE1 GLN A 23 3.494 17.300 -11.288 1.00 0.00 O ATOM 390 NE2 GLN A 23 4.260 19.133 -10.226 1.00 0.00 N ATOM 0 H GLN A 23 4.517 16.204 -6.840 1.00 0.00 H new ATOM 0 HA GLN A 23 2.006 15.435 -7.862 1.00 0.00 H new ATOM 0 HB2 GLN A 23 4.604 15.025 -9.332 1.00 0.00 H new ATOM 0 HB3 GLN A 23 3.042 15.506 -9.963 1.00 0.00 H new ATOM 0 HG2 GLN A 23 3.509 17.558 -8.188 1.00 0.00 H new ATOM 0 HG3 GLN A 23 5.153 17.164 -8.652 1.00 0.00 H new ATOM 0 HE21 GLN A 23 4.611 19.528 -9.354 1.00 0.00 H new ATOM 0 HE22 GLN A 23 4.169 19.723 -11.053 1.00 0.00 H new ATOM 399 N VAL A 24 4.063 13.048 -7.108 1.00 0.00 N ATOM 400 CA VAL A 24 4.206 11.608 -6.979 1.00 0.00 C ATOM 401 C VAL A 24 3.074 11.063 -6.105 1.00 0.00 C ATOM 402 O VAL A 24 2.350 10.158 -6.515 1.00 0.00 O ATOM 403 CB VAL A 24 5.596 11.266 -6.438 1.00 0.00 C ATOM 404 CG1 VAL A 24 5.681 9.793 -6.034 1.00 0.00 C ATOM 405 CG2 VAL A 24 6.682 11.619 -7.457 1.00 0.00 C ATOM 0 H VAL A 24 4.783 13.592 -6.633 1.00 0.00 H new ATOM 0 HA VAL A 24 4.124 11.128 -7.954 1.00 0.00 H new ATOM 0 HB VAL A 24 5.765 11.868 -5.545 1.00 0.00 H new ATOM 0 HG11 VAL A 24 6.679 9.577 -5.653 1.00 0.00 H new ATOM 0 HG12 VAL A 24 4.944 9.585 -5.258 1.00 0.00 H new ATOM 0 HG13 VAL A 24 5.480 9.165 -6.902 1.00 0.00 H new ATOM 0 HG21 VAL A 24 7.660 11.366 -7.048 1.00 0.00 H new ATOM 0 HG22 VAL A 24 6.516 11.056 -8.375 1.00 0.00 H new ATOM 0 HG23 VAL A 24 6.644 12.687 -7.674 1.00 0.00 H new ATOM 415 N LEU A 25 2.958 11.638 -4.917 1.00 0.00 N ATOM 416 CA LEU A 25 1.927 11.221 -3.981 1.00 0.00 C ATOM 417 C LEU A 25 0.569 11.237 -4.686 1.00 0.00 C ATOM 418 O LEU A 25 -0.295 10.412 -4.394 1.00 0.00 O ATOM 419 CB LEU A 25 1.974 12.080 -2.716 1.00 0.00 C ATOM 420 CG LEU A 25 3.043 11.703 -1.689 1.00 0.00 C ATOM 421 CD1 LEU A 25 2.840 12.470 -0.380 1.00 0.00 C ATOM 422 CD2 LEU A 25 3.081 10.190 -1.466 1.00 0.00 C ATOM 0 H LEU A 25 3.561 12.389 -4.581 1.00 0.00 H new ATOM 0 HA LEU A 25 2.103 10.197 -3.650 1.00 0.00 H new ATOM 0 HB2 LEU A 25 2.132 13.117 -3.011 1.00 0.00 H new ATOM 0 HB3 LEU A 25 0.999 12.031 -2.231 1.00 0.00 H new ATOM 0 HG LEU A 25 4.015 11.994 -2.086 1.00 0.00 H new ATOM 0 HD11 LEU A 25 3.613 12.184 0.333 1.00 0.00 H new ATOM 0 HD12 LEU A 25 2.903 13.541 -0.572 1.00 0.00 H new ATOM 0 HD13 LEU A 25 1.860 12.232 0.033 1.00 0.00 H new ATOM 0 HD21 LEU A 25 3.850 9.950 -0.731 1.00 0.00 H new ATOM 0 HD22 LEU A 25 2.111 9.852 -1.101 1.00 0.00 H new ATOM 0 HD23 LEU A 25 3.309 9.689 -2.407 1.00 0.00 H new ATOM 434 N LEU A 26 0.424 12.184 -5.601 1.00 0.00 N ATOM 435 CA LEU A 26 -0.814 12.318 -6.349 1.00 0.00 C ATOM 436 C LEU A 26 -0.981 11.109 -7.271 1.00 0.00 C ATOM 437 O LEU A 26 -1.946 10.357 -7.147 1.00 0.00 O ATOM 438 CB LEU A 26 -0.855 13.661 -7.082 1.00 0.00 C ATOM 439 CG LEU A 26 -1.700 14.756 -6.428 1.00 0.00 C ATOM 440 CD1 LEU A 26 -3.160 14.319 -6.299 1.00 0.00 C ATOM 441 CD2 LEU A 26 -1.106 15.177 -5.083 1.00 0.00 C ATOM 0 H LEU A 26 1.144 12.866 -5.841 1.00 0.00 H new ATOM 0 HA LEU A 26 -1.669 12.324 -5.673 1.00 0.00 H new ATOM 0 HB2 LEU A 26 0.166 14.029 -7.183 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -1.233 13.491 -8.090 1.00 0.00 H new ATOM 0 HG LEU A 26 -1.683 15.633 -7.075 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -3.738 15.116 -5.831 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -3.566 14.109 -7.289 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -3.218 13.420 -5.685 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -1.726 15.956 -4.639 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -1.072 14.316 -4.415 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -0.096 15.559 -5.235 1.00 0.00 H new ATOM 453 N GLU A 27 -0.025 10.959 -8.177 1.00 0.00 N ATOM 454 CA GLU A 27 -0.054 9.854 -9.120 1.00 0.00 C ATOM 455 C GLU A 27 -0.481 8.566 -8.414 1.00 0.00 C ATOM 456 O GLU A 27 -1.401 7.883 -8.864 1.00 0.00 O ATOM 457 CB GLU A 27 1.304 9.681 -9.803 1.00 0.00 C ATOM 458 CG GLU A 27 1.812 11.012 -10.359 1.00 0.00 C ATOM 459 CD GLU A 27 2.132 10.897 -11.851 1.00 0.00 C ATOM 460 OE1 GLU A 27 1.362 10.197 -12.544 1.00 0.00 O ATOM 461 OE2 GLU A 27 3.139 11.511 -12.265 1.00 0.00 O ATOM 0 H GLU A 27 0.774 11.585 -8.278 1.00 0.00 H new ATOM 0 HA GLU A 27 -0.787 10.081 -9.894 1.00 0.00 H new ATOM 0 HB2 GLU A 27 2.025 9.282 -9.090 1.00 0.00 H new ATOM 0 HB3 GLU A 27 1.219 8.954 -10.611 1.00 0.00 H new ATOM 0 HG2 GLU A 27 1.060 11.786 -10.203 1.00 0.00 H new ATOM 0 HG3 GLU A 27 2.705 11.321 -9.815 1.00 0.00 H new ATOM 468 N TYR A 28 0.206 8.272 -7.320 1.00 0.00 N ATOM 469 CA TYR A 28 -0.091 7.077 -6.549 1.00 0.00 C ATOM 470 C TYR A 28 -1.602 6.875 -6.411 1.00 0.00 C ATOM 471 O TYR A 28 -2.131 5.837 -6.806 1.00 0.00 O ATOM 472 CB TYR A 28 0.508 7.312 -5.161 1.00 0.00 C ATOM 473 CG TYR A 28 1.981 6.914 -5.044 1.00 0.00 C ATOM 474 CD1 TYR A 28 2.847 7.157 -6.091 1.00 0.00 C ATOM 475 CD2 TYR A 28 2.444 6.312 -3.892 1.00 0.00 C ATOM 476 CE1 TYR A 28 4.233 6.783 -5.981 1.00 0.00 C ATOM 477 CE2 TYR A 28 3.831 5.938 -3.782 1.00 0.00 C ATOM 478 CZ TYR A 28 4.656 6.192 -4.832 1.00 0.00 C ATOM 479 OH TYR A 28 5.966 5.838 -4.728 1.00 0.00 O ATOM 0 H TYR A 28 0.967 8.841 -6.949 1.00 0.00 H new ATOM 0 HA TYR A 28 0.319 6.193 -7.038 1.00 0.00 H new ATOM 0 HB2 TYR A 28 0.406 8.367 -4.906 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -0.069 6.749 -4.427 1.00 0.00 H new ATOM 0 HD1 TYR A 28 2.485 7.628 -6.993 1.00 0.00 H new ATOM 0 HD2 TYR A 28 1.767 6.121 -3.073 1.00 0.00 H new ATOM 0 HE1 TYR A 28 4.921 6.968 -6.793 1.00 0.00 H new ATOM 0 HE2 TYR A 28 4.207 5.467 -2.886 1.00 0.00 H new ATOM 0 HH TYR A 28 6.393 6.368 -4.023 1.00 0.00 H new ATOM 489 N ALA A 29 -2.253 7.883 -5.849 1.00 0.00 N ATOM 490 CA ALA A 29 -3.691 7.829 -5.654 1.00 0.00 C ATOM 491 C ALA A 29 -4.369 7.492 -6.984 1.00 0.00 C ATOM 492 O ALA A 29 -5.348 6.747 -7.015 1.00 0.00 O ATOM 493 CB ALA A 29 -4.178 9.157 -5.071 1.00 0.00 C ATOM 0 H ALA A 29 -1.810 8.742 -5.523 1.00 0.00 H new ATOM 0 HA ALA A 29 -3.953 7.046 -4.943 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -5.257 9.116 -4.925 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -3.689 9.335 -4.114 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -3.935 9.967 -5.759 1.00 0.00 H new ATOM 499 N ALA A 30 -3.822 8.057 -8.050 1.00 0.00 N ATOM 500 CA ALA A 30 -4.362 7.826 -9.379 1.00 0.00 C ATOM 501 C ALA A 30 -4.201 6.348 -9.741 1.00 0.00 C ATOM 502 O ALA A 30 -4.938 5.826 -10.576 1.00 0.00 O ATOM 503 CB ALA A 30 -3.667 8.750 -10.381 1.00 0.00 C ATOM 0 H ALA A 30 -3.010 8.674 -8.021 1.00 0.00 H new ATOM 0 HA ALA A 30 -5.427 8.058 -9.405 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -4.072 8.576 -11.378 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -3.836 9.788 -10.096 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -2.597 8.544 -10.384 1.00 0.00 H new ATOM 509 N LYS A 31 -3.233 5.716 -9.094 1.00 0.00 N ATOM 510 CA LYS A 31 -2.966 4.308 -9.337 1.00 0.00 C ATOM 511 C LYS A 31 -3.603 3.473 -8.225 1.00 0.00 C ATOM 512 O LYS A 31 -2.997 2.523 -7.733 1.00 0.00 O ATOM 513 CB LYS A 31 -1.463 4.069 -9.502 1.00 0.00 C ATOM 514 CG LYS A 31 -0.936 4.745 -10.769 1.00 0.00 C ATOM 515 CD LYS A 31 -0.160 6.019 -10.428 1.00 0.00 C ATOM 516 CE LYS A 31 1.270 5.951 -10.969 1.00 0.00 C ATOM 517 NZ LYS A 31 1.265 5.585 -12.403 1.00 0.00 N ATOM 0 H LYS A 31 -2.624 6.153 -8.402 1.00 0.00 H new ATOM 0 HA LYS A 31 -3.421 3.990 -10.275 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -0.932 4.455 -8.632 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -1.264 2.998 -9.547 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -0.289 4.055 -11.312 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -1.769 4.988 -11.429 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -0.671 6.884 -10.849 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -0.138 6.157 -9.347 1.00 0.00 H new ATOM 0 HE2 LYS A 31 1.762 6.914 -10.835 1.00 0.00 H new ATOM 0 HE3 LYS A 31 1.845 5.218 -10.403 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 2.079 6.026 -12.877 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 1.327 4.551 -12.498 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 0.385 5.921 -12.844 1.00 0.00 H new ATOM 531 N VAL A 32 -4.818 3.859 -7.861 1.00 0.00 N ATOM 532 CA VAL A 32 -5.544 3.157 -6.816 1.00 0.00 C ATOM 533 C VAL A 32 -6.914 2.734 -7.350 1.00 0.00 C ATOM 534 O VAL A 32 -7.854 3.526 -7.355 1.00 0.00 O ATOM 535 CB VAL A 32 -5.634 4.032 -5.564 1.00 0.00 C ATOM 536 CG1 VAL A 32 -6.608 3.434 -4.547 1.00 0.00 C ATOM 537 CG2 VAL A 32 -4.253 4.244 -4.942 1.00 0.00 C ATOM 0 H VAL A 32 -5.317 4.648 -8.271 1.00 0.00 H new ATOM 0 HA VAL A 32 -5.014 2.250 -6.525 1.00 0.00 H new ATOM 0 HB VAL A 32 -6.019 5.007 -5.864 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -6.654 4.075 -3.667 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -7.600 3.359 -4.993 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -6.266 2.441 -4.256 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -4.346 4.869 -4.054 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -3.827 3.280 -4.664 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -3.600 4.734 -5.664 1.00 0.00 H new ATOM 547 N PRO A 33 -6.985 1.452 -7.798 1.00 0.00 N ATOM 548 CA PRO A 33 -8.224 0.913 -8.332 1.00 0.00 C ATOM 549 C PRO A 33 -9.220 0.613 -7.211 1.00 0.00 C ATOM 550 O PRO A 33 -8.827 0.429 -6.059 1.00 0.00 O ATOM 551 CB PRO A 33 -7.811 -0.327 -9.108 1.00 0.00 C ATOM 552 CG PRO A 33 -6.429 -0.698 -8.598 1.00 0.00 C ATOM 553 CD PRO A 33 -5.891 0.484 -7.808 1.00 0.00 C ATOM 0 HA PRO A 33 -8.744 1.618 -8.981 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -8.518 -1.141 -8.948 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -7.791 -0.128 -10.180 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -6.480 -1.586 -7.968 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -5.766 -0.935 -9.430 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -5.613 0.190 -6.796 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -4.999 0.900 -8.276 1.00 0.00 H new ATOM 561 N PRO A 34 -10.524 0.570 -7.596 1.00 0.00 N ATOM 562 CA PRO A 34 -11.579 0.295 -6.635 1.00 0.00 C ATOM 563 C PRO A 34 -11.606 -1.188 -6.260 1.00 0.00 C ATOM 564 O PRO A 34 -11.142 -2.034 -7.023 1.00 0.00 O ATOM 565 CB PRO A 34 -12.858 0.759 -7.313 1.00 0.00 C ATOM 566 CG PRO A 34 -12.536 0.845 -8.796 1.00 0.00 C ATOM 567 CD PRO A 34 -11.026 0.782 -8.950 1.00 0.00 C ATOM 0 HA PRO A 34 -11.433 0.816 -5.689 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -13.673 0.059 -7.130 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -13.176 1.727 -6.926 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -13.009 0.026 -9.337 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -12.924 1.772 -9.218 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -10.729 -0.030 -9.614 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -10.633 1.704 -9.378 1.00 0.00 H new ATOM 575 N PRO A 35 -12.167 -1.465 -5.053 1.00 0.00 N ATOM 576 CA PRO A 35 -12.261 -2.831 -4.567 1.00 0.00 C ATOM 577 C PRO A 35 -13.366 -3.599 -5.296 1.00 0.00 C ATOM 578 O PRO A 35 -14.210 -2.998 -5.959 1.00 0.00 O ATOM 579 CB PRO A 35 -12.514 -2.701 -3.074 1.00 0.00 C ATOM 580 CG PRO A 35 -13.015 -1.282 -2.858 1.00 0.00 C ATOM 581 CD PRO A 35 -12.727 -0.489 -4.122 1.00 0.00 C ATOM 0 HA PRO A 35 -11.355 -3.407 -4.756 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -13.251 -3.431 -2.738 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -11.602 -2.884 -2.506 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -14.084 -1.283 -2.643 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -12.518 -0.828 -2.001 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -13.635 -0.037 -4.521 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -12.025 0.322 -3.929 1.00 0.00 H new ATOM 589 N PRO A 36 -13.323 -4.949 -5.145 1.00 0.00 N ATOM 590 CA PRO A 36 -14.310 -5.805 -5.781 1.00 0.00 C ATOM 591 C PRO A 36 -15.653 -5.731 -5.051 1.00 0.00 C ATOM 592 O PRO A 36 -15.709 -5.336 -3.887 1.00 0.00 O ATOM 593 CB PRO A 36 -13.698 -7.196 -5.758 1.00 0.00 C ATOM 594 CG PRO A 36 -12.605 -7.153 -4.703 1.00 0.00 C ATOM 595 CD PRO A 36 -12.338 -5.695 -4.367 1.00 0.00 C ATOM 0 HA PRO A 36 -14.535 -5.500 -6.803 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -14.448 -7.948 -5.513 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -13.289 -7.459 -6.734 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -12.913 -7.700 -3.812 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -11.698 -7.632 -5.073 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -12.452 -5.507 -3.299 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -11.321 -5.407 -4.634 1.00 0.00 H new ATOM 603 N PRO A 37 -16.728 -6.126 -5.783 1.00 0.00 N ATOM 604 CA PRO A 37 -18.066 -6.108 -5.218 1.00 0.00 C ATOM 605 C PRO A 37 -18.264 -7.267 -4.239 1.00 0.00 C ATOM 606 O PRO A 37 -18.210 -8.431 -4.631 1.00 0.00 O ATOM 607 CB PRO A 37 -19.001 -6.176 -6.415 1.00 0.00 C ATOM 608 CG PRO A 37 -18.161 -6.696 -7.570 1.00 0.00 C ATOM 609 CD PRO A 37 -16.699 -6.599 -7.164 1.00 0.00 C ATOM 0 HA PRO A 37 -18.260 -5.212 -4.628 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -19.844 -6.838 -6.216 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -19.415 -5.194 -6.644 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -18.426 -7.728 -7.800 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -18.347 -6.111 -8.471 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -16.202 -7.566 -7.241 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -16.154 -5.908 -7.808 1.00 0.00 H new ATOM 617 N GLY A 38 -18.488 -6.908 -2.983 1.00 0.00 N ATOM 618 CA GLY A 38 -18.693 -7.903 -1.945 1.00 0.00 C ATOM 619 C GLY A 38 -17.762 -7.656 -0.756 1.00 0.00 C ATOM 620 O GLY A 38 -18.221 -7.495 0.373 1.00 0.00 O ATOM 0 H GLY A 38 -18.532 -5.941 -2.661 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -19.730 -7.876 -1.611 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -18.514 -8.899 -2.351 1.00 0.00 H new ATOM 624 N VAL A 39 -16.471 -7.634 -1.052 1.00 0.00 N ATOM 625 CA VAL A 39 -15.471 -7.409 -0.021 1.00 0.00 C ATOM 626 C VAL A 39 -15.975 -6.337 0.947 1.00 0.00 C ATOM 627 O VAL A 39 -16.613 -5.371 0.531 1.00 0.00 O ATOM 628 CB VAL A 39 -14.129 -7.052 -0.663 1.00 0.00 C ATOM 629 CG1 VAL A 39 -14.259 -5.813 -1.552 1.00 0.00 C ATOM 630 CG2 VAL A 39 -13.048 -6.853 0.401 1.00 0.00 C ATOM 0 H VAL A 39 -16.094 -7.768 -1.990 1.00 0.00 H new ATOM 0 HA VAL A 39 -15.308 -8.318 0.558 1.00 0.00 H new ATOM 0 HB VAL A 39 -13.827 -7.887 -1.295 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -13.291 -5.581 -1.996 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -14.984 -6.007 -2.343 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -14.595 -4.968 -0.951 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -12.104 -6.600 -0.082 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -13.341 -6.044 1.071 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -12.928 -7.773 0.974 1.00 0.00 H new ATOM 640 N GLU A 40 -15.670 -6.544 2.220 1.00 0.00 N ATOM 641 CA GLU A 40 -16.084 -5.607 3.250 1.00 0.00 C ATOM 642 C GLU A 40 -14.876 -4.827 3.775 1.00 0.00 C ATOM 643 O GLU A 40 -13.875 -5.421 4.173 1.00 0.00 O ATOM 644 CB GLU A 40 -16.808 -6.328 4.388 1.00 0.00 C ATOM 645 CG GLU A 40 -17.009 -5.399 5.587 1.00 0.00 C ATOM 646 CD GLU A 40 -18.246 -5.802 6.392 1.00 0.00 C ATOM 647 OE1 GLU A 40 -19.360 -5.586 5.867 1.00 0.00 O ATOM 648 OE2 GLU A 40 -18.050 -6.316 7.514 1.00 0.00 O ATOM 0 H GLU A 40 -15.141 -7.347 2.561 1.00 0.00 H new ATOM 0 HA GLU A 40 -16.785 -4.899 2.809 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -17.775 -6.689 4.037 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -16.233 -7.202 4.693 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -16.128 -5.431 6.228 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -17.115 -4.371 5.241 1.00 0.00 H new ATOM 655 N LEU A 41 -15.010 -3.509 3.759 1.00 0.00 N ATOM 656 CA LEU A 41 -13.943 -2.643 4.228 1.00 0.00 C ATOM 657 C LEU A 41 -14.305 -2.098 5.611 1.00 0.00 C ATOM 658 O LEU A 41 -15.471 -1.819 5.887 1.00 0.00 O ATOM 659 CB LEU A 41 -13.645 -1.553 3.197 1.00 0.00 C ATOM 660 CG LEU A 41 -13.352 -2.036 1.775 1.00 0.00 C ATOM 661 CD1 LEU A 41 -14.321 -1.409 0.772 1.00 0.00 C ATOM 662 CD2 LEU A 41 -11.891 -1.780 1.399 1.00 0.00 C ATOM 0 H LEU A 41 -15.842 -3.020 3.428 1.00 0.00 H new ATOM 0 HA LEU A 41 -13.017 -3.207 4.339 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -14.496 -0.873 3.160 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -12.790 -0.974 3.546 1.00 0.00 H new ATOM 0 HG LEU A 41 -13.508 -3.114 1.742 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -14.090 -1.769 -0.231 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -15.343 -1.686 1.031 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -14.221 -0.324 0.799 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -11.709 -2.133 0.384 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -11.683 -0.712 1.455 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -11.239 -2.313 2.090 1.00 0.00 H new ATOM 674 N GLU A 42 -13.284 -1.963 6.445 1.00 0.00 N ATOM 675 CA GLU A 42 -13.480 -1.457 7.793 1.00 0.00 C ATOM 676 C GLU A 42 -13.078 0.017 7.870 1.00 0.00 C ATOM 677 O GLU A 42 -11.992 0.392 7.430 1.00 0.00 O ATOM 678 CB GLU A 42 -12.701 -2.292 8.811 1.00 0.00 C ATOM 679 CG GLU A 42 -13.006 -1.839 10.240 1.00 0.00 C ATOM 680 CD GLU A 42 -12.938 -3.016 11.215 1.00 0.00 C ATOM 681 OE1 GLU A 42 -13.378 -4.114 10.810 1.00 0.00 O ATOM 682 OE2 GLU A 42 -12.448 -2.792 12.343 1.00 0.00 O ATOM 0 H GLU A 42 -12.318 -2.195 6.213 1.00 0.00 H new ATOM 0 HA GLU A 42 -14.538 -1.538 8.040 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -12.959 -3.345 8.697 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -11.632 -2.203 8.618 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -12.294 -1.071 10.542 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -13.997 -1.387 10.278 1.00 0.00 H new ATOM 689 N ARG A 43 -13.975 0.814 8.432 1.00 0.00 N ATOM 690 CA ARG A 43 -13.727 2.239 8.572 1.00 0.00 C ATOM 691 C ARG A 43 -12.575 2.484 9.548 1.00 0.00 C ATOM 692 O ARG A 43 -12.400 1.734 10.507 1.00 0.00 O ATOM 693 CB ARG A 43 -14.975 2.968 9.073 1.00 0.00 C ATOM 694 CG ARG A 43 -14.666 4.434 9.385 1.00 0.00 C ATOM 695 CD ARG A 43 -15.877 5.323 9.098 1.00 0.00 C ATOM 696 NE ARG A 43 -16.995 4.962 9.997 1.00 0.00 N ATOM 697 CZ ARG A 43 -18.255 5.389 9.837 1.00 0.00 C ATOM 698 NH1 ARG A 43 -18.565 6.196 8.813 1.00 0.00 N ATOM 699 NH2 ARG A 43 -19.206 5.010 10.702 1.00 0.00 N ATOM 0 H ARG A 43 -14.875 0.500 8.796 1.00 0.00 H new ATOM 0 HA ARG A 43 -13.463 2.628 7.589 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -15.761 2.911 8.320 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -15.354 2.474 9.968 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -14.377 4.534 10.431 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -13.817 4.766 8.787 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -15.611 6.371 9.238 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -16.184 5.209 8.058 1.00 0.00 H new ATOM 0 HE ARG A 43 -16.794 4.350 10.788 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -17.842 6.486 8.155 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -19.524 6.521 8.692 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -18.971 4.397 11.482 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -20.165 5.335 10.580 1.00 0.00 H new ATOM 713 N VAL A 44 -11.819 3.535 9.269 1.00 0.00 N ATOM 714 CA VAL A 44 -10.688 3.888 10.111 1.00 0.00 C ATOM 715 C VAL A 44 -11.064 5.085 10.987 1.00 0.00 C ATOM 716 O VAL A 44 -10.884 6.234 10.585 1.00 0.00 O ATOM 717 CB VAL A 44 -9.452 4.145 9.246 1.00 0.00 C ATOM 718 CG1 VAL A 44 -8.279 4.632 10.098 1.00 0.00 C ATOM 719 CG2 VAL A 44 -9.071 2.895 8.450 1.00 0.00 C ATOM 0 H VAL A 44 -11.967 4.154 8.472 1.00 0.00 H new ATOM 0 HA VAL A 44 -10.436 3.063 10.778 1.00 0.00 H new ATOM 0 HB VAL A 44 -9.698 4.933 8.534 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -7.413 4.807 9.459 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -8.554 5.560 10.599 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -8.033 3.876 10.844 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -8.190 3.104 7.844 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -8.852 2.078 9.138 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -9.899 2.611 7.801 1.00 0.00 H new ATOM 729 N HIS A 45 -11.579 4.774 12.168 1.00 0.00 N ATOM 730 CA HIS A 45 -11.981 5.810 13.104 1.00 0.00 C ATOM 731 C HIS A 45 -10.810 6.762 13.352 1.00 0.00 C ATOM 732 O HIS A 45 -10.970 7.980 13.288 1.00 0.00 O ATOM 733 CB HIS A 45 -12.528 5.194 14.394 1.00 0.00 C ATOM 734 CG HIS A 45 -14.031 5.054 14.419 1.00 0.00 C ATOM 735 ND1 HIS A 45 -14.787 4.883 13.272 1.00 0.00 N ATOM 736 CD2 HIS A 45 -14.909 5.061 15.462 1.00 0.00 C ATOM 737 CE1 HIS A 45 -16.062 4.793 13.622 1.00 0.00 C ATOM 738 NE2 HIS A 45 -16.136 4.904 14.980 1.00 0.00 N ATOM 0 H HIS A 45 -11.727 3.820 12.498 1.00 0.00 H new ATOM 0 HA HIS A 45 -12.794 6.396 12.676 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -12.079 4.210 14.533 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -12.217 5.809 15.238 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -14.650 5.175 16.504 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -16.896 4.656 12.950 1.00 0.00 H new ATOM 0 HE2 HIS A 45 -16.992 4.872 15.533 1.00 0.00 H new ATOM 746 N GLU A 46 -9.657 6.170 13.629 1.00 0.00 N ATOM 747 CA GLU A 46 -8.458 6.951 13.887 1.00 0.00 C ATOM 748 C GLU A 46 -8.397 8.156 12.946 1.00 0.00 C ATOM 749 O GLU A 46 -8.046 9.257 13.365 1.00 0.00 O ATOM 750 CB GLU A 46 -7.203 6.087 13.754 1.00 0.00 C ATOM 751 CG GLU A 46 -6.368 6.131 15.035 1.00 0.00 C ATOM 752 CD GLU A 46 -6.882 5.118 16.060 1.00 0.00 C ATOM 753 OE1 GLU A 46 -8.025 5.314 16.527 1.00 0.00 O ATOM 754 OE2 GLU A 46 -6.120 4.171 16.353 1.00 0.00 O ATOM 0 H GLU A 46 -9.527 5.160 13.680 1.00 0.00 H new ATOM 0 HA GLU A 46 -8.500 7.318 14.913 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -7.487 5.058 13.536 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -6.604 6.437 12.913 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -5.325 5.919 14.801 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -6.402 7.134 15.461 1.00 0.00 H new ATOM 761 N CYS A 47 -8.744 7.905 11.692 1.00 0.00 N ATOM 762 CA CYS A 47 -8.733 8.956 10.688 1.00 0.00 C ATOM 763 C CYS A 47 -10.086 9.669 10.725 1.00 0.00 C ATOM 764 O CYS A 47 -11.116 9.042 10.965 1.00 0.00 O ATOM 765 CB CYS A 47 -8.415 8.405 9.297 1.00 0.00 C ATOM 766 SG CYS A 47 -8.133 9.785 8.127 1.00 0.00 S ATOM 0 H CYS A 47 -9.034 6.990 11.348 1.00 0.00 H new ATOM 0 HA CYS A 47 -7.941 9.670 10.913 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -7.531 7.769 9.342 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -9.238 7.782 8.946 1.00 0.00 H new ATOM 0 HG CYS A 47 -9.176 9.928 7.365 1.00 0.00 H new ATOM 772 N GLN A 48 -10.039 10.971 10.483 1.00 0.00 N ATOM 773 CA GLN A 48 -11.248 11.777 10.485 1.00 0.00 C ATOM 774 C GLN A 48 -12.209 11.295 9.396 1.00 0.00 C ATOM 775 O GLN A 48 -13.330 10.883 9.691 1.00 0.00 O ATOM 776 CB GLN A 48 -10.919 13.260 10.308 1.00 0.00 C ATOM 777 CG GLN A 48 -9.874 13.716 11.328 1.00 0.00 C ATOM 778 CD GLN A 48 -10.439 14.802 12.245 1.00 0.00 C ATOM 779 OE1 GLN A 48 -10.012 15.945 12.233 1.00 0.00 O ATOM 780 NE2 GLN A 48 -11.421 14.383 13.039 1.00 0.00 N ATOM 0 H GLN A 48 -9.182 11.488 10.284 1.00 0.00 H new ATOM 0 HA GLN A 48 -11.737 11.660 11.452 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -10.548 13.436 9.298 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -11.826 13.853 10.422 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -9.548 12.864 11.925 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -8.995 14.096 10.808 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -11.731 13.412 12.998 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -11.864 15.033 13.688 1.00 0.00 H new ATOM 789 N THR A 49 -11.735 11.362 8.161 1.00 0.00 N ATOM 790 CA THR A 49 -12.538 10.937 7.027 1.00 0.00 C ATOM 791 C THR A 49 -12.869 9.448 7.136 1.00 0.00 C ATOM 792 O THR A 49 -12.148 8.694 7.787 1.00 0.00 O ATOM 793 CB THR A 49 -11.779 11.299 5.749 1.00 0.00 C ATOM 794 OG1 THR A 49 -10.504 10.687 5.917 1.00 0.00 O ATOM 795 CG2 THR A 49 -11.466 12.794 5.657 1.00 0.00 C ATOM 0 H THR A 49 -10.805 11.704 7.920 1.00 0.00 H new ATOM 0 HA THR A 49 -13.499 11.450 7.008 1.00 0.00 H new ATOM 0 HB THR A 49 -12.365 10.997 4.881 1.00 0.00 H new ATOM 0 HG1 THR A 49 -10.140 10.443 5.040 1.00 0.00 H new ATOM 0 HG21 THR A 49 -10.927 12.997 4.732 1.00 0.00 H new ATOM 0 HG22 THR A 49 -12.396 13.362 5.667 1.00 0.00 H new ATOM 0 HG23 THR A 49 -10.851 13.090 6.507 1.00 0.00 H new ATOM 803 N PRO A 50 -13.991 9.058 6.472 1.00 0.00 N ATOM 804 CA PRO A 50 -14.426 7.672 6.488 1.00 0.00 C ATOM 805 C PRO A 50 -13.547 6.811 5.579 1.00 0.00 C ATOM 806 O PRO A 50 -13.969 6.416 4.493 1.00 0.00 O ATOM 807 CB PRO A 50 -15.880 7.712 6.044 1.00 0.00 C ATOM 808 CG PRO A 50 -16.068 9.052 5.353 1.00 0.00 C ATOM 809 CD PRO A 50 -14.870 9.924 5.691 1.00 0.00 C ATOM 0 HA PRO A 50 -14.336 7.214 7.473 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -16.104 6.888 5.366 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -16.552 7.615 6.897 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -16.149 8.917 4.274 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -16.991 9.527 5.685 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -14.374 10.282 4.789 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -15.169 10.804 6.261 1.00 0.00 H new ATOM 817 N PHE A 51 -12.341 6.543 6.058 1.00 0.00 N ATOM 818 CA PHE A 51 -11.398 5.735 5.302 1.00 0.00 C ATOM 819 C PHE A 51 -11.587 4.247 5.603 1.00 0.00 C ATOM 820 O PHE A 51 -11.437 3.818 6.746 1.00 0.00 O ATOM 821 CB PHE A 51 -9.995 6.158 5.741 1.00 0.00 C ATOM 822 CG PHE A 51 -8.872 5.576 4.879 1.00 0.00 C ATOM 823 CD1 PHE A 51 -9.048 5.436 3.538 1.00 0.00 C ATOM 824 CD2 PHE A 51 -7.699 5.199 5.455 1.00 0.00 C ATOM 825 CE1 PHE A 51 -8.006 4.896 2.738 1.00 0.00 C ATOM 826 CE2 PHE A 51 -6.657 4.659 4.655 1.00 0.00 C ATOM 827 CZ PHE A 51 -6.833 4.519 3.314 1.00 0.00 C ATOM 0 H PHE A 51 -11.995 6.871 6.960 1.00 0.00 H new ATOM 0 HA PHE A 51 -11.552 5.884 4.233 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -9.931 7.246 5.718 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -9.841 5.852 6.776 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -9.980 5.735 3.081 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -7.560 5.310 6.520 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -8.145 4.785 1.673 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -5.725 4.360 5.112 1.00 0.00 H new ATOM 0 HZ PHE A 51 -6.041 4.108 2.706 1.00 0.00 H new ATOM 837 N PHE A 52 -11.914 3.502 4.558 1.00 0.00 N ATOM 838 CA PHE A 52 -12.125 2.071 4.696 1.00 0.00 C ATOM 839 C PHE A 52 -10.985 1.283 4.046 1.00 0.00 C ATOM 840 O PHE A 52 -10.591 1.572 2.918 1.00 0.00 O ATOM 841 CB PHE A 52 -13.433 1.740 3.975 1.00 0.00 C ATOM 842 CG PHE A 52 -14.543 2.769 4.197 1.00 0.00 C ATOM 843 CD1 PHE A 52 -15.182 2.834 5.396 1.00 0.00 C ATOM 844 CD2 PHE A 52 -14.892 3.620 3.194 1.00 0.00 C ATOM 845 CE1 PHE A 52 -16.212 3.789 5.602 1.00 0.00 C ATOM 846 CE2 PHE A 52 -15.922 4.575 3.400 1.00 0.00 C ATOM 847 CZ PHE A 52 -16.560 4.640 4.599 1.00 0.00 C ATOM 0 H PHE A 52 -12.038 3.862 3.612 1.00 0.00 H new ATOM 0 HA PHE A 52 -12.162 1.801 5.751 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -13.236 1.658 2.906 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -13.784 0.764 4.310 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -14.906 2.158 6.192 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -14.385 3.569 2.242 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -16.719 3.840 6.554 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -16.199 5.250 2.604 1.00 0.00 H new ATOM 0 HZ PHE A 52 -17.343 5.367 4.755 1.00 0.00 H new ATOM 857 N VAL A 53 -10.489 0.303 4.787 1.00 0.00 N ATOM 858 CA VAL A 53 -9.402 -0.528 4.297 1.00 0.00 C ATOM 859 C VAL A 53 -9.730 -1.998 4.565 1.00 0.00 C ATOM 860 O VAL A 53 -10.586 -2.306 5.393 1.00 0.00 O ATOM 861 CB VAL A 53 -8.080 -0.086 4.927 1.00 0.00 C ATOM 862 CG1 VAL A 53 -7.805 1.393 4.645 1.00 0.00 C ATOM 863 CG2 VAL A 53 -8.067 -0.368 6.431 1.00 0.00 C ATOM 0 H VAL A 53 -10.819 0.066 5.722 1.00 0.00 H new ATOM 0 HA VAL A 53 -9.288 -0.411 3.219 1.00 0.00 H new ATOM 0 HB VAL A 53 -7.281 -0.669 4.470 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -6.859 1.681 5.104 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -7.750 1.554 3.568 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -8.610 1.999 5.062 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -7.116 -0.044 6.854 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -8.881 0.176 6.910 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -8.195 -1.437 6.602 1.00 0.00 H new ATOM 873 N HIS A 54 -9.031 -2.867 3.850 1.00 0.00 N ATOM 874 CA HIS A 54 -9.237 -4.298 4.000 1.00 0.00 C ATOM 875 C HIS A 54 -8.010 -5.050 3.482 1.00 0.00 C ATOM 876 O HIS A 54 -7.727 -5.034 2.285 1.00 0.00 O ATOM 877 CB HIS A 54 -10.534 -4.735 3.315 1.00 0.00 C ATOM 878 CG HIS A 54 -10.831 -6.209 3.446 1.00 0.00 C ATOM 879 ND1 HIS A 54 -11.374 -6.766 4.591 1.00 0.00 N ATOM 880 CD2 HIS A 54 -10.655 -7.236 2.565 1.00 0.00 C ATOM 881 CE1 HIS A 54 -11.514 -8.069 4.396 1.00 0.00 C ATOM 882 NE2 HIS A 54 -11.068 -8.358 3.140 1.00 0.00 N ATOM 0 H HIS A 54 -8.321 -2.608 3.165 1.00 0.00 H new ATOM 0 HA HIS A 54 -9.352 -4.544 5.056 1.00 0.00 H new ATOM 0 HB2 HIS A 54 -11.364 -4.169 3.737 1.00 0.00 H new ATOM 0 HB3 HIS A 54 -10.478 -4.479 2.257 1.00 0.00 H new ATOM 0 HD2 HIS A 54 -10.248 -7.150 1.568 1.00 0.00 H new ATOM 0 HE1 HIS A 54 -11.912 -8.778 5.107 1.00 0.00 H new ATOM 0 HE2 HIS A 54 -11.054 -9.284 2.713 1.00 0.00 H new ATOM 890 N ALA A 55 -7.314 -5.692 4.409 1.00 0.00 N ATOM 891 CA ALA A 55 -6.124 -6.449 4.061 1.00 0.00 C ATOM 892 C ALA A 55 -6.465 -7.940 4.028 1.00 0.00 C ATOM 893 O ALA A 55 -7.211 -8.429 4.875 1.00 0.00 O ATOM 894 CB ALA A 55 -5.006 -6.128 5.055 1.00 0.00 C ATOM 0 H ALA A 55 -7.552 -5.703 5.401 1.00 0.00 H new ATOM 0 HA ALA A 55 -5.768 -6.170 3.069 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -4.113 -6.696 4.794 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -4.782 -5.062 5.018 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -5.326 -6.397 6.062 1.00 0.00 H new ATOM 900 N ASP A 56 -5.901 -8.621 3.042 1.00 0.00 N ATOM 901 CA ASP A 56 -6.136 -10.047 2.887 1.00 0.00 C ATOM 902 C ASP A 56 -5.096 -10.630 1.929 1.00 0.00 C ATOM 903 O ASP A 56 -4.350 -9.889 1.291 1.00 0.00 O ATOM 904 CB ASP A 56 -7.523 -10.317 2.300 1.00 0.00 C ATOM 905 CG ASP A 56 -8.643 -10.468 3.331 1.00 0.00 C ATOM 906 OD1 ASP A 56 -8.304 -10.543 4.532 1.00 0.00 O ATOM 907 OD2 ASP A 56 -9.814 -10.505 2.895 1.00 0.00 O ATOM 0 H ASP A 56 -5.282 -8.212 2.342 1.00 0.00 H new ATOM 0 HA ASP A 56 -6.065 -10.509 3.872 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -7.780 -9.502 1.624 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -7.477 -11.226 1.700 1.00 0.00 H new ATOM 912 N VAL A 57 -5.079 -11.953 1.858 1.00 0.00 N ATOM 913 CA VAL A 57 -4.142 -12.644 0.989 1.00 0.00 C ATOM 914 C VAL A 57 -4.876 -13.756 0.236 1.00 0.00 C ATOM 915 O VAL A 57 -5.501 -14.619 0.851 1.00 0.00 O ATOM 916 CB VAL A 57 -2.953 -13.158 1.803 1.00 0.00 C ATOM 917 CG1 VAL A 57 -3.392 -13.579 3.208 1.00 0.00 C ATOM 918 CG2 VAL A 57 -2.250 -14.309 1.081 1.00 0.00 C ATOM 0 H VAL A 57 -5.699 -12.565 2.388 1.00 0.00 H new ATOM 0 HA VAL A 57 -3.737 -11.959 0.244 1.00 0.00 H new ATOM 0 HB VAL A 57 -2.239 -12.341 1.905 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -2.528 -13.940 3.766 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -3.826 -12.723 3.725 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -4.135 -14.373 3.134 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -1.409 -14.655 1.681 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -2.953 -15.129 0.933 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -1.887 -13.964 0.113 1.00 0.00 H new ATOM 928 N GLU A 58 -4.777 -13.698 -1.084 1.00 0.00 N ATOM 929 CA GLU A 58 -5.424 -14.689 -1.927 1.00 0.00 C ATOM 930 C GLU A 58 -4.376 -15.521 -2.668 1.00 0.00 C ATOM 931 O GLU A 58 -3.644 -14.998 -3.508 1.00 0.00 O ATOM 932 CB GLU A 58 -6.393 -14.026 -2.908 1.00 0.00 C ATOM 933 CG GLU A 58 -7.819 -14.024 -2.355 1.00 0.00 C ATOM 934 CD GLU A 58 -8.805 -14.592 -3.378 1.00 0.00 C ATOM 935 OE1 GLU A 58 -8.964 -15.832 -3.384 1.00 0.00 O ATOM 936 OE2 GLU A 58 -9.377 -13.774 -4.130 1.00 0.00 O ATOM 0 H GLU A 58 -4.259 -12.980 -1.590 1.00 0.00 H new ATOM 0 HA GLU A 58 -6.005 -15.356 -1.290 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -6.074 -13.002 -3.104 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -6.370 -14.555 -3.861 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -7.859 -14.615 -1.440 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -8.109 -13.007 -2.091 1.00 0.00 H new ATOM 943 N GLY A 59 -4.337 -16.802 -2.332 1.00 0.00 N ATOM 944 CA GLY A 59 -3.391 -17.711 -2.955 1.00 0.00 C ATOM 945 C GLY A 59 -2.034 -17.658 -2.251 1.00 0.00 C ATOM 946 O GLY A 59 -1.718 -18.525 -1.438 1.00 0.00 O ATOM 0 H GLY A 59 -4.946 -17.232 -1.636 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -3.782 -18.728 -2.922 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -3.270 -17.451 -4.006 1.00 0.00 H new ATOM 950 N GLY A 60 -1.267 -16.631 -2.588 1.00 0.00 N ATOM 951 CA GLY A 60 0.049 -16.454 -1.998 1.00 0.00 C ATOM 952 C GLY A 60 0.513 -15.001 -2.121 1.00 0.00 C ATOM 953 O GLY A 60 1.713 -14.729 -2.142 1.00 0.00 O ATOM 0 H GLY A 60 -1.532 -15.913 -3.262 1.00 0.00 H new ATOM 0 HA2 GLY A 60 0.023 -16.744 -0.948 1.00 0.00 H new ATOM 0 HA3 GLY A 60 0.765 -17.111 -2.492 1.00 0.00 H new ATOM 957 N LYS A 61 -0.461 -14.106 -2.200 1.00 0.00 N ATOM 958 CA LYS A 61 -0.167 -12.689 -2.321 1.00 0.00 C ATOM 959 C LYS A 61 -1.179 -11.890 -1.497 1.00 0.00 C ATOM 960 O LYS A 61 -2.286 -12.362 -1.242 1.00 0.00 O ATOM 961 CB LYS A 61 -0.109 -12.276 -3.793 1.00 0.00 C ATOM 962 CG LYS A 61 1.132 -12.853 -4.476 1.00 0.00 C ATOM 963 CD LYS A 61 1.218 -12.397 -5.934 1.00 0.00 C ATOM 964 CE LYS A 61 2.056 -13.370 -6.764 1.00 0.00 C ATOM 965 NZ LYS A 61 1.227 -14.005 -7.813 1.00 0.00 N ATOM 0 H LYS A 61 -1.455 -14.335 -2.183 1.00 0.00 H new ATOM 0 HA LYS A 61 0.820 -12.469 -1.914 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -1.006 -12.622 -4.307 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -0.098 -11.189 -3.869 1.00 0.00 H new ATOM 0 HG2 LYS A 61 2.027 -12.537 -3.939 1.00 0.00 H new ATOM 0 HG3 LYS A 61 1.102 -13.942 -4.433 1.00 0.00 H new ATOM 0 HD2 LYS A 61 0.215 -12.324 -6.356 1.00 0.00 H new ATOM 0 HD3 LYS A 61 1.657 -11.401 -5.982 1.00 0.00 H new ATOM 0 HE2 LYS A 61 2.891 -12.840 -7.223 1.00 0.00 H new ATOM 0 HE3 LYS A 61 2.482 -14.136 -6.116 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 1.812 -14.663 -8.367 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 0.445 -14.527 -7.369 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 0.841 -13.272 -8.441 1.00 0.00 H new ATOM 979 N VAL A 62 -0.764 -10.695 -1.105 1.00 0.00 N ATOM 980 CA VAL A 62 -1.621 -9.827 -0.316 1.00 0.00 C ATOM 981 C VAL A 62 -2.553 -9.051 -1.250 1.00 0.00 C ATOM 982 O VAL A 62 -2.222 -8.821 -2.412 1.00 0.00 O ATOM 983 CB VAL A 62 -0.770 -8.915 0.571 1.00 0.00 C ATOM 984 CG1 VAL A 62 -1.645 -8.122 1.542 1.00 0.00 C ATOM 985 CG2 VAL A 62 0.293 -9.719 1.322 1.00 0.00 C ATOM 0 H VAL A 62 0.155 -10.307 -1.319 1.00 0.00 H new ATOM 0 HA VAL A 62 -2.248 -10.416 0.353 1.00 0.00 H new ATOM 0 HB VAL A 62 -0.257 -8.202 -0.075 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -1.015 -7.482 2.160 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -2.347 -7.506 0.980 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -2.198 -8.812 2.180 1.00 0.00 H new ATOM 0 HG21 VAL A 62 0.884 -9.048 1.945 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -0.192 -10.465 1.951 1.00 0.00 H new ATOM 0 HG23 VAL A 62 0.946 -10.218 0.605 1.00 0.00 H new ATOM 995 N ARG A 63 -3.700 -8.670 -0.707 1.00 0.00 N ATOM 996 CA ARG A 63 -4.681 -7.925 -1.477 1.00 0.00 C ATOM 997 C ARG A 63 -5.146 -6.695 -0.696 1.00 0.00 C ATOM 998 O ARG A 63 -5.961 -6.807 0.219 1.00 0.00 O ATOM 999 CB ARG A 63 -5.894 -8.796 -1.812 1.00 0.00 C ATOM 1000 CG ARG A 63 -5.525 -9.885 -2.822 1.00 0.00 C ATOM 1001 CD ARG A 63 -5.250 -9.282 -4.202 1.00 0.00 C ATOM 1002 NE ARG A 63 -6.010 -10.019 -5.236 1.00 0.00 N ATOM 1003 CZ ARG A 63 -5.710 -11.258 -5.649 1.00 0.00 C ATOM 1004 NH1 ARG A 63 -4.664 -11.906 -5.118 1.00 0.00 N ATOM 1005 NH2 ARG A 63 -6.456 -11.849 -6.592 1.00 0.00 N ATOM 0 H ARG A 63 -3.972 -8.863 0.257 1.00 0.00 H new ATOM 0 HA ARG A 63 -4.205 -7.611 -2.406 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -6.279 -9.255 -0.901 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -6.692 -8.174 -2.218 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -4.644 -10.425 -2.475 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -6.336 -10.610 -2.893 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -5.534 -8.230 -4.211 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -4.183 -9.327 -4.422 1.00 0.00 H new ATOM 0 HE ARG A 63 -6.813 -9.555 -5.661 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -4.097 -11.456 -4.400 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -4.435 -12.849 -5.432 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -7.252 -11.356 -6.996 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -6.228 -12.792 -6.906 1.00 0.00 H new ATOM 1019 N LEU A 64 -4.608 -5.548 -1.085 1.00 0.00 N ATOM 1020 CA LEU A 64 -4.958 -4.298 -0.433 1.00 0.00 C ATOM 1021 C LEU A 64 -6.219 -3.723 -1.083 1.00 0.00 C ATOM 1022 O LEU A 64 -6.392 -3.816 -2.297 1.00 0.00 O ATOM 1023 CB LEU A 64 -3.768 -3.336 -0.444 1.00 0.00 C ATOM 1024 CG LEU A 64 -2.847 -3.394 0.776 1.00 0.00 C ATOM 1025 CD1 LEU A 64 -1.512 -2.703 0.490 1.00 0.00 C ATOM 1026 CD2 LEU A 64 -3.538 -2.816 2.013 1.00 0.00 C ATOM 0 H LEU A 64 -3.932 -5.459 -1.844 1.00 0.00 H new ATOM 0 HA LEU A 64 -5.191 -4.470 0.618 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -3.172 -3.537 -1.334 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -4.149 -2.319 -0.539 1.00 0.00 H new ATOM 0 HG LEU A 64 -2.628 -4.440 0.988 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -0.877 -2.759 1.374 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -1.017 -3.199 -0.345 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -1.690 -1.658 0.237 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -2.861 -2.869 2.866 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -3.806 -1.776 1.827 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -4.439 -3.390 2.228 1.00 0.00 H new ATOM 1038 N TYR A 65 -7.066 -3.143 -0.245 1.00 0.00 N ATOM 1039 CA TYR A 65 -8.305 -2.554 -0.723 1.00 0.00 C ATOM 1040 C TYR A 65 -8.645 -1.283 0.058 1.00 0.00 C ATOM 1041 O TYR A 65 -8.816 -1.326 1.275 1.00 0.00 O ATOM 1042 CB TYR A 65 -9.393 -3.599 -0.472 1.00 0.00 C ATOM 1043 CG TYR A 65 -9.208 -4.894 -1.265 1.00 0.00 C ATOM 1044 CD1 TYR A 65 -9.381 -4.896 -2.634 1.00 0.00 C ATOM 1045 CD2 TYR A 65 -8.866 -6.061 -0.611 1.00 0.00 C ATOM 1046 CE1 TYR A 65 -9.206 -6.115 -3.381 1.00 0.00 C ATOM 1047 CE2 TYR A 65 -8.692 -7.280 -1.358 1.00 0.00 C ATOM 1048 CZ TYR A 65 -8.870 -7.247 -2.706 1.00 0.00 C ATOM 1049 OH TYR A 65 -8.705 -8.398 -3.411 1.00 0.00 O ATOM 0 H TYR A 65 -6.918 -3.069 0.762 1.00 0.00 H new ATOM 0 HA TYR A 65 -8.220 -2.283 -1.775 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -9.415 -3.837 0.592 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -10.362 -3.167 -0.723 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -9.648 -3.983 -3.146 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -8.729 -6.060 0.460 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -9.339 -6.130 -4.453 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -8.426 -8.200 -0.859 1.00 0.00 H new ATOM 0 HH TYR A 65 -8.391 -8.186 -4.315 1.00 0.00 H new ATOM 1059 N PHE A 66 -8.732 -0.182 -0.674 1.00 0.00 N ATOM 1060 CA PHE A 66 -9.048 1.098 -0.065 1.00 0.00 C ATOM 1061 C PHE A 66 -10.285 1.724 -0.714 1.00 0.00 C ATOM 1062 O PHE A 66 -10.585 1.453 -1.876 1.00 0.00 O ATOM 1063 CB PHE A 66 -7.846 2.015 -0.300 1.00 0.00 C ATOM 1064 CG PHE A 66 -6.553 1.524 0.355 1.00 0.00 C ATOM 1065 CD1 PHE A 66 -6.362 1.689 1.692 1.00 0.00 C ATOM 1066 CD2 PHE A 66 -5.594 0.923 -0.399 1.00 0.00 C ATOM 1067 CE1 PHE A 66 -5.162 1.234 2.299 1.00 0.00 C ATOM 1068 CE2 PHE A 66 -4.394 0.468 0.209 1.00 0.00 C ATOM 1069 CZ PHE A 66 -4.204 0.633 1.545 1.00 0.00 C ATOM 0 H PHE A 66 -8.589 -0.150 -1.683 1.00 0.00 H new ATOM 0 HA PHE A 66 -9.256 0.963 0.996 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -7.683 2.115 -1.373 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -8.080 3.009 0.081 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -7.123 2.166 2.291 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -5.745 0.792 -1.460 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -5.010 1.365 3.360 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -3.632 -0.009 -0.390 1.00 0.00 H new ATOM 0 HZ PHE A 66 -3.292 0.286 2.007 1.00 0.00 H new ATOM 1079 N HIS A 67 -10.969 2.549 0.065 1.00 0.00 N ATOM 1080 CA HIS A 67 -12.166 3.215 -0.419 1.00 0.00 C ATOM 1081 C HIS A 67 -12.219 4.641 0.132 1.00 0.00 C ATOM 1082 O HIS A 67 -12.388 4.840 1.334 1.00 0.00 O ATOM 1083 CB HIS A 67 -13.416 2.401 -0.079 1.00 0.00 C ATOM 1084 CG HIS A 67 -14.704 3.020 -0.566 1.00 0.00 C ATOM 1085 ND1 HIS A 67 -15.072 4.320 -0.264 1.00 0.00 N ATOM 1086 CD2 HIS A 67 -15.705 2.506 -1.337 1.00 0.00 C ATOM 1087 CE1 HIS A 67 -16.244 4.566 -0.832 1.00 0.00 C ATOM 1088 NE2 HIS A 67 -16.635 3.440 -1.496 1.00 0.00 N ATOM 0 H HIS A 67 -10.717 2.771 1.028 1.00 0.00 H new ATOM 0 HA HIS A 67 -12.133 3.284 -1.506 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -13.317 1.405 -0.511 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -13.472 2.275 1.002 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -15.736 1.508 -1.749 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -16.793 5.495 -0.779 1.00 0.00 H new ATOM 0 HE2 HIS A 67 -17.499 3.333 -2.027 1.00 0.00 H new ATOM 1096 N VAL A 68 -12.072 5.597 -0.773 1.00 0.00 N ATOM 1097 CA VAL A 68 -12.100 6.999 -0.392 1.00 0.00 C ATOM 1098 C VAL A 68 -13.360 7.653 -0.964 1.00 0.00 C ATOM 1099 O VAL A 68 -13.533 7.716 -2.181 1.00 0.00 O ATOM 1100 CB VAL A 68 -10.811 7.690 -0.842 1.00 0.00 C ATOM 1101 CG1 VAL A 68 -10.598 9.000 -0.082 1.00 0.00 C ATOM 1102 CG2 VAL A 68 -9.607 6.760 -0.681 1.00 0.00 C ATOM 0 H VAL A 68 -11.933 5.428 -1.769 1.00 0.00 H new ATOM 0 HA VAL A 68 -12.145 7.099 0.692 1.00 0.00 H new ATOM 0 HB VAL A 68 -10.910 7.930 -1.901 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -9.675 9.471 -0.421 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -11.437 9.670 -0.269 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -10.529 8.794 0.986 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -8.703 7.275 -1.008 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -9.504 6.476 0.366 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -9.754 5.866 -1.287 1.00 0.00 H new ATOM 1112 N PRO A 69 -14.229 8.135 -0.037 1.00 0.00 N ATOM 1113 CA PRO A 69 -15.468 8.781 -0.436 1.00 0.00 C ATOM 1114 C PRO A 69 -15.203 10.190 -0.970 1.00 0.00 C ATOM 1115 O PRO A 69 -15.634 10.532 -2.071 1.00 0.00 O ATOM 1116 CB PRO A 69 -16.336 8.773 0.811 1.00 0.00 C ATOM 1117 CG PRO A 69 -15.388 8.545 1.978 1.00 0.00 C ATOM 1118 CD PRO A 69 -14.057 8.077 1.412 1.00 0.00 C ATOM 0 HA PRO A 69 -15.967 8.264 -1.255 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -16.871 9.717 0.921 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -17.087 7.985 0.759 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -15.258 9.464 2.549 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -15.796 7.800 2.661 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -13.240 8.719 1.740 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -13.820 7.066 1.742 1.00 0.00 H new ATOM 1126 N ASP A 70 -14.495 10.970 -0.166 1.00 0.00 N ATOM 1127 CA ASP A 70 -14.168 12.334 -0.545 1.00 0.00 C ATOM 1128 C ASP A 70 -13.011 12.318 -1.546 1.00 0.00 C ATOM 1129 O ASP A 70 -12.560 13.370 -1.996 1.00 0.00 O ATOM 1130 CB ASP A 70 -13.728 13.153 0.671 1.00 0.00 C ATOM 1131 CG ASP A 70 -14.536 14.429 0.918 1.00 0.00 C ATOM 1132 OD1 ASP A 70 -15.443 14.694 0.100 1.00 0.00 O ATOM 1133 OD2 ASP A 70 -14.228 15.110 1.920 1.00 0.00 O ATOM 0 H ASP A 70 -14.139 10.683 0.746 1.00 0.00 H new ATOM 0 HA ASP A 70 -15.059 12.785 -0.982 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -13.793 12.522 1.558 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -12.679 13.423 0.548 1.00 0.00 H new ATOM 1138 N GLU A 71 -12.565 11.112 -1.867 1.00 0.00 N ATOM 1139 CA GLU A 71 -11.470 10.945 -2.807 1.00 0.00 C ATOM 1140 C GLU A 71 -10.326 11.901 -2.465 1.00 0.00 C ATOM 1141 O GLU A 71 -9.683 12.450 -3.358 1.00 0.00 O ATOM 1142 CB GLU A 71 -11.947 11.153 -4.246 1.00 0.00 C ATOM 1143 CG GLU A 71 -12.306 12.619 -4.498 1.00 0.00 C ATOM 1144 CD GLU A 71 -12.233 12.952 -5.990 1.00 0.00 C ATOM 1145 OE1 GLU A 71 -11.094 13.078 -6.488 1.00 0.00 O ATOM 1146 OE2 GLU A 71 -13.319 13.074 -6.597 1.00 0.00 O ATOM 0 H GLU A 71 -12.942 10.241 -1.493 1.00 0.00 H new ATOM 0 HA GLU A 71 -11.100 9.923 -2.726 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -11.167 10.841 -4.940 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -12.816 10.524 -4.440 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -13.310 12.821 -4.125 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -11.625 13.265 -3.944 1.00 0.00 H new ATOM 1153 N ALA A 72 -10.107 12.070 -1.169 1.00 0.00 N ATOM 1154 CA ALA A 72 -9.051 12.950 -0.697 1.00 0.00 C ATOM 1155 C ALA A 72 -7.731 12.559 -1.365 1.00 0.00 C ATOM 1156 O ALA A 72 -7.436 11.375 -1.517 1.00 0.00 O ATOM 1157 CB ALA A 72 -8.975 12.884 0.829 1.00 0.00 C ATOM 0 H ALA A 72 -10.643 11.613 -0.431 1.00 0.00 H new ATOM 0 HA ALA A 72 -9.263 13.984 -0.968 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -8.183 13.544 1.183 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -9.928 13.200 1.255 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -8.760 11.861 1.139 1.00 0.00 H new ATOM 1163 N PRO A 73 -6.952 13.604 -1.754 1.00 0.00 N ATOM 1164 CA PRO A 73 -5.670 13.381 -2.401 1.00 0.00 C ATOM 1165 C PRO A 73 -4.616 12.927 -1.389 1.00 0.00 C ATOM 1166 O PRO A 73 -3.761 12.102 -1.705 1.00 0.00 O ATOM 1167 CB PRO A 73 -5.327 14.706 -3.061 1.00 0.00 C ATOM 1168 CG PRO A 73 -6.194 15.750 -2.376 1.00 0.00 C ATOM 1169 CD PRO A 73 -7.269 15.019 -1.589 1.00 0.00 C ATOM 0 HA PRO A 73 -5.706 12.580 -3.140 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -4.269 14.939 -2.943 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -5.528 14.673 -4.132 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -5.592 16.371 -1.713 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -6.645 16.414 -3.113 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -7.256 15.308 -0.538 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -8.264 15.249 -1.970 1.00 0.00 H new ATOM 1177 N THR A 74 -4.712 13.487 -0.192 1.00 0.00 N ATOM 1178 CA THR A 74 -3.778 13.150 0.869 1.00 0.00 C ATOM 1179 C THR A 74 -4.146 11.805 1.497 1.00 0.00 C ATOM 1180 O THR A 74 -3.283 11.104 2.023 1.00 0.00 O ATOM 1181 CB THR A 74 -3.765 14.306 1.872 1.00 0.00 C ATOM 1182 OG1 THR A 74 -4.989 14.159 2.586 1.00 0.00 O ATOM 1183 CG2 THR A 74 -3.891 15.671 1.194 1.00 0.00 C ATOM 0 H THR A 74 -5.422 14.172 0.067 1.00 0.00 H new ATOM 0 HA THR A 74 -2.767 13.026 0.481 1.00 0.00 H new ATOM 0 HB THR A 74 -2.843 14.273 2.452 1.00 0.00 H new ATOM 0 HG1 THR A 74 -5.062 14.867 3.259 1.00 0.00 H new ATOM 0 HG21 THR A 74 -3.876 16.456 1.950 1.00 0.00 H new ATOM 0 HG22 THR A 74 -3.057 15.814 0.507 1.00 0.00 H new ATOM 0 HG23 THR A 74 -4.829 15.717 0.641 1.00 0.00 H new ATOM 1191 N VAL A 75 -5.430 11.484 1.422 1.00 0.00 N ATOM 1192 CA VAL A 75 -5.923 10.235 1.976 1.00 0.00 C ATOM 1193 C VAL A 75 -5.636 9.097 0.994 1.00 0.00 C ATOM 1194 O VAL A 75 -5.135 8.045 1.388 1.00 0.00 O ATOM 1195 CB VAL A 75 -7.408 10.366 2.322 1.00 0.00 C ATOM 1196 CG1 VAL A 75 -8.037 8.993 2.566 1.00 0.00 C ATOM 1197 CG2 VAL A 75 -7.611 11.284 3.528 1.00 0.00 C ATOM 0 H VAL A 75 -6.143 12.068 0.986 1.00 0.00 H new ATOM 0 HA VAL A 75 -5.406 10.000 2.906 1.00 0.00 H new ATOM 0 HB VAL A 75 -7.912 10.819 1.468 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -9.092 9.114 2.810 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -7.940 8.384 1.668 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -7.527 8.501 3.395 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -8.675 11.360 3.753 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -7.086 10.873 4.391 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -7.217 12.275 3.302 1.00 0.00 H new ATOM 1207 N LYS A 76 -5.964 9.348 -0.264 1.00 0.00 N ATOM 1208 CA LYS A 76 -5.748 8.358 -1.306 1.00 0.00 C ATOM 1209 C LYS A 76 -4.245 8.180 -1.530 1.00 0.00 C ATOM 1210 O LYS A 76 -3.761 7.057 -1.658 1.00 0.00 O ATOM 1211 CB LYS A 76 -6.518 8.735 -2.572 1.00 0.00 C ATOM 1212 CG LYS A 76 -7.076 7.490 -3.266 1.00 0.00 C ATOM 1213 CD LYS A 76 -8.017 7.875 -4.410 1.00 0.00 C ATOM 1214 CE LYS A 76 -8.147 6.734 -5.420 1.00 0.00 C ATOM 1215 NZ LYS A 76 -9.489 6.744 -6.044 1.00 0.00 N ATOM 0 H LYS A 76 -6.378 10.223 -0.586 1.00 0.00 H new ATOM 0 HA LYS A 76 -6.142 7.389 -0.999 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -7.335 9.411 -2.318 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -5.861 9.273 -3.255 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -6.255 6.886 -3.653 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -7.610 6.875 -2.542 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -8.999 8.124 -4.009 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -7.641 8.767 -4.910 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -7.381 6.833 -6.189 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -7.978 5.779 -4.922 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -9.560 5.963 -6.727 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -10.215 6.628 -5.308 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -9.636 7.648 -6.536 1.00 0.00 H new ATOM 1229 N ALA A 77 -3.548 9.306 -1.570 1.00 0.00 N ATOM 1230 CA ALA A 77 -2.110 9.289 -1.777 1.00 0.00 C ATOM 1231 C ALA A 77 -1.499 8.131 -0.986 1.00 0.00 C ATOM 1232 O ALA A 77 -1.004 7.168 -1.571 1.00 0.00 O ATOM 1233 CB ALA A 77 -1.520 10.643 -1.376 1.00 0.00 C ATOM 0 H ALA A 77 -3.952 10.236 -1.463 1.00 0.00 H new ATOM 0 HA ALA A 77 -1.876 9.130 -2.830 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -0.441 10.630 -1.531 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -1.965 11.429 -1.986 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -1.733 10.836 -0.324 1.00 0.00 H new ATOM 1239 N PHE A 78 -1.554 8.262 0.331 1.00 0.00 N ATOM 1240 CA PHE A 78 -1.012 7.237 1.208 1.00 0.00 C ATOM 1241 C PHE A 78 -1.599 5.864 0.875 1.00 0.00 C ATOM 1242 O PHE A 78 -0.863 4.930 0.562 1.00 0.00 O ATOM 1243 CB PHE A 78 -1.408 7.616 2.637 1.00 0.00 C ATOM 1244 CG PHE A 78 -0.682 6.813 3.718 1.00 0.00 C ATOM 1245 CD1 PHE A 78 0.645 7.015 3.938 1.00 0.00 C ATOM 1246 CD2 PHE A 78 -1.363 5.897 4.458 1.00 0.00 C ATOM 1247 CE1 PHE A 78 1.319 6.270 4.942 1.00 0.00 C ATOM 1248 CE2 PHE A 78 -0.689 5.152 5.461 1.00 0.00 C ATOM 1249 CZ PHE A 78 0.638 5.354 5.682 1.00 0.00 C ATOM 0 H PHE A 78 -1.965 9.062 0.812 1.00 0.00 H new ATOM 0 HA PHE A 78 0.070 7.178 1.088 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -1.207 8.676 2.790 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -2.482 7.476 2.755 1.00 0.00 H new ATOM 0 HD1 PHE A 78 1.186 7.741 3.350 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -2.416 5.737 4.282 1.00 0.00 H new ATOM 0 HE1 PHE A 78 2.372 6.431 5.118 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -1.230 4.425 6.049 1.00 0.00 H new ATOM 0 HZ PHE A 78 1.151 4.787 6.445 1.00 0.00 H new ATOM 1259 N ALA A 79 -2.919 5.785 0.955 1.00 0.00 N ATOM 1260 CA ALA A 79 -3.613 4.542 0.666 1.00 0.00 C ATOM 1261 C ALA A 79 -2.967 3.872 -0.548 1.00 0.00 C ATOM 1262 O ALA A 79 -2.858 2.648 -0.602 1.00 0.00 O ATOM 1263 CB ALA A 79 -5.101 4.826 0.453 1.00 0.00 C ATOM 0 H ALA A 79 -3.526 6.562 1.216 1.00 0.00 H new ATOM 0 HA ALA A 79 -3.530 3.852 1.506 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -5.622 3.893 0.236 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -5.519 5.274 1.355 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -5.224 5.513 -0.384 1.00 0.00 H new ATOM 1269 N GLY A 80 -2.555 4.705 -1.494 1.00 0.00 N ATOM 1270 CA GLY A 80 -1.923 4.209 -2.704 1.00 0.00 C ATOM 1271 C GLY A 80 -0.479 3.783 -2.433 1.00 0.00 C ATOM 1272 O GLY A 80 -0.059 2.702 -2.844 1.00 0.00 O ATOM 0 H GLY A 80 -2.647 5.720 -1.446 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -2.489 3.363 -3.093 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -1.940 4.983 -3.471 1.00 0.00 H new ATOM 1276 N LEU A 81 0.242 4.654 -1.743 1.00 0.00 N ATOM 1277 CA LEU A 81 1.631 4.382 -1.412 1.00 0.00 C ATOM 1278 C LEU A 81 1.719 3.057 -0.653 1.00 0.00 C ATOM 1279 O LEU A 81 2.706 2.332 -0.775 1.00 0.00 O ATOM 1280 CB LEU A 81 2.244 5.564 -0.659 1.00 0.00 C ATOM 1281 CG LEU A 81 3.078 5.214 0.575 1.00 0.00 C ATOM 1282 CD1 LEU A 81 2.186 4.731 1.720 1.00 0.00 C ATOM 1283 CD2 LEU A 81 4.168 4.197 0.229 1.00 0.00 C ATOM 0 H LEU A 81 -0.110 5.549 -1.404 1.00 0.00 H new ATOM 0 HA LEU A 81 2.224 4.270 -2.320 1.00 0.00 H new ATOM 0 HB2 LEU A 81 2.873 6.123 -1.351 1.00 0.00 H new ATOM 0 HB3 LEU A 81 1.438 6.230 -0.351 1.00 0.00 H new ATOM 0 HG LEU A 81 3.579 6.119 0.917 1.00 0.00 H new ATOM 0 HD11 LEU A 81 2.803 4.489 2.585 1.00 0.00 H new ATOM 0 HD12 LEU A 81 1.479 5.517 1.987 1.00 0.00 H new ATOM 0 HD13 LEU A 81 1.639 3.843 1.405 1.00 0.00 H new ATOM 0 HD21 LEU A 81 4.746 3.965 1.123 1.00 0.00 H new ATOM 0 HD22 LEU A 81 3.707 3.285 -0.152 1.00 0.00 H new ATOM 0 HD23 LEU A 81 4.828 4.615 -0.531 1.00 0.00 H new ATOM 1295 N LEU A 82 0.675 2.780 0.114 1.00 0.00 N ATOM 1296 CA LEU A 82 0.622 1.554 0.892 1.00 0.00 C ATOM 1297 C LEU A 82 0.610 0.353 -0.055 1.00 0.00 C ATOM 1298 O LEU A 82 1.434 -0.552 0.073 1.00 0.00 O ATOM 1299 CB LEU A 82 -0.562 1.585 1.861 1.00 0.00 C ATOM 1300 CG LEU A 82 -0.578 2.741 2.864 1.00 0.00 C ATOM 1301 CD1 LEU A 82 -1.924 2.821 3.587 1.00 0.00 C ATOM 1302 CD2 LEU A 82 0.593 2.634 3.842 1.00 0.00 C ATOM 0 H LEU A 82 -0.141 3.384 0.213 1.00 0.00 H new ATOM 0 HA LEU A 82 1.512 1.460 1.515 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -1.482 1.623 1.278 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -0.576 0.648 2.417 1.00 0.00 H new ATOM 0 HG LEU A 82 -0.453 3.673 2.313 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -1.909 3.651 4.294 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -2.719 2.979 2.859 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -2.104 1.890 4.124 1.00 0.00 H new ATOM 0 HD21 LEU A 82 0.558 3.467 4.544 1.00 0.00 H new ATOM 0 HD22 LEU A 82 0.524 1.695 4.391 1.00 0.00 H new ATOM 0 HD23 LEU A 82 1.532 2.664 3.290 1.00 0.00 H new ATOM 1314 N ARG A 83 -0.333 0.383 -0.986 1.00 0.00 N ATOM 1315 CA ARG A 83 -0.463 -0.692 -1.954 1.00 0.00 C ATOM 1316 C ARG A 83 0.690 -0.643 -2.959 1.00 0.00 C ATOM 1317 O ARG A 83 1.110 -1.677 -3.478 1.00 0.00 O ATOM 1318 CB ARG A 83 -1.791 -0.597 -2.708 1.00 0.00 C ATOM 1319 CG ARG A 83 -1.613 0.129 -4.043 1.00 0.00 C ATOM 1320 CD ARG A 83 -2.968 0.470 -4.666 1.00 0.00 C ATOM 1321 NE ARG A 83 -3.091 -0.172 -5.994 1.00 0.00 N ATOM 1322 CZ ARG A 83 -2.250 0.047 -7.014 1.00 0.00 C ATOM 1323 NH1 ARG A 83 -1.221 0.892 -6.865 1.00 0.00 N ATOM 1324 NH2 ARG A 83 -2.438 -0.580 -8.184 1.00 0.00 N ATOM 0 H ARG A 83 -1.014 1.135 -1.090 1.00 0.00 H new ATOM 0 HA ARG A 83 -0.435 -1.635 -1.408 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -2.186 -1.598 -2.884 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -2.523 -0.068 -2.097 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -1.039 1.043 -3.890 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -1.041 -0.497 -4.728 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -3.773 0.132 -4.014 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -3.071 1.551 -4.765 1.00 0.00 H new ATOM 0 HE ARG A 83 -3.864 -0.821 -6.142 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -1.077 1.369 -5.975 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -0.581 1.058 -7.642 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -3.221 -1.224 -8.298 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -1.798 -0.413 -8.961 1.00 0.00 H new ATOM 1338 N GLU A 84 1.170 0.567 -3.203 1.00 0.00 N ATOM 1339 CA GLU A 84 2.266 0.764 -4.136 1.00 0.00 C ATOM 1340 C GLU A 84 3.447 -0.135 -3.765 1.00 0.00 C ATOM 1341 O GLU A 84 4.171 -0.608 -4.640 1.00 0.00 O ATOM 1342 CB GLU A 84 2.689 2.234 -4.183 1.00 0.00 C ATOM 1343 CG GLU A 84 4.015 2.446 -3.449 1.00 0.00 C ATOM 1344 CD GLU A 84 5.192 1.944 -4.287 1.00 0.00 C ATOM 1345 OE1 GLU A 84 5.421 2.543 -5.361 1.00 0.00 O ATOM 1346 OE2 GLU A 84 5.837 0.973 -3.836 1.00 0.00 O ATOM 0 H GLU A 84 0.820 1.422 -2.770 1.00 0.00 H new ATOM 0 HA GLU A 84 1.923 0.487 -5.133 1.00 0.00 H new ATOM 0 HB2 GLU A 84 2.788 2.555 -5.220 1.00 0.00 H new ATOM 0 HB3 GLU A 84 1.915 2.854 -3.730 1.00 0.00 H new ATOM 0 HG2 GLU A 84 4.147 3.505 -3.228 1.00 0.00 H new ATOM 0 HG3 GLU A 84 3.994 1.921 -2.494 1.00 0.00 H new ATOM 1353 N GLY A 85 3.605 -0.345 -2.467 1.00 0.00 N ATOM 1354 CA GLY A 85 4.685 -1.179 -1.969 1.00 0.00 C ATOM 1355 C GLY A 85 4.153 -2.264 -1.031 1.00 0.00 C ATOM 1356 O GLY A 85 4.766 -2.559 -0.006 1.00 0.00 O ATOM 0 H GLY A 85 3.002 0.048 -1.744 1.00 0.00 H new ATOM 0 HA2 GLY A 85 5.208 -1.642 -2.806 1.00 0.00 H new ATOM 0 HA3 GLY A 85 5.412 -0.562 -1.441 1.00 0.00 H new ATOM 1360 N LEU A 86 3.018 -2.829 -1.416 1.00 0.00 N ATOM 1361 CA LEU A 86 2.396 -3.875 -0.622 1.00 0.00 C ATOM 1362 C LEU A 86 1.533 -4.754 -1.531 1.00 0.00 C ATOM 1363 O LEU A 86 1.569 -5.979 -1.431 1.00 0.00 O ATOM 1364 CB LEU A 86 1.630 -3.271 0.556 1.00 0.00 C ATOM 1365 CG LEU A 86 2.464 -2.469 1.558 1.00 0.00 C ATOM 1366 CD1 LEU A 86 1.566 -1.726 2.549 1.00 0.00 C ATOM 1367 CD2 LEU A 86 3.481 -3.366 2.266 1.00 0.00 C ATOM 0 H LEU A 86 2.513 -2.582 -2.267 1.00 0.00 H new ATOM 0 HA LEU A 86 3.156 -4.520 -0.180 1.00 0.00 H new ATOM 0 HB2 LEU A 86 0.849 -2.621 0.161 1.00 0.00 H new ATOM 0 HB3 LEU A 86 1.132 -4.079 1.092 1.00 0.00 H new ATOM 0 HG LEU A 86 3.027 -1.715 1.008 1.00 0.00 H new ATOM 0 HD11 LEU A 86 2.184 -1.164 3.250 1.00 0.00 H new ATOM 0 HD12 LEU A 86 0.916 -1.039 2.007 1.00 0.00 H new ATOM 0 HD13 LEU A 86 0.957 -2.445 3.098 1.00 0.00 H new ATOM 0 HD21 LEU A 86 4.061 -2.772 2.972 1.00 0.00 H new ATOM 0 HD22 LEU A 86 2.957 -4.158 2.802 1.00 0.00 H new ATOM 0 HD23 LEU A 86 4.151 -3.809 1.529 1.00 0.00 H new ATOM 1379 N GLU A 87 0.778 -4.093 -2.396 1.00 0.00 N ATOM 1380 CA GLU A 87 -0.093 -4.798 -3.321 1.00 0.00 C ATOM 1381 C GLU A 87 0.684 -5.899 -4.045 1.00 0.00 C ATOM 1382 O GLU A 87 1.519 -5.614 -4.902 1.00 0.00 O ATOM 1383 CB GLU A 87 -0.731 -3.830 -4.319 1.00 0.00 C ATOM 1384 CG GLU A 87 -1.456 -4.589 -5.432 1.00 0.00 C ATOM 1385 CD GLU A 87 -0.803 -4.326 -6.790 1.00 0.00 C ATOM 1386 OE1 GLU A 87 0.437 -4.167 -6.803 1.00 0.00 O ATOM 1387 OE2 GLU A 87 -1.558 -4.288 -7.786 1.00 0.00 O ATOM 0 H GLU A 87 0.751 -3.076 -2.476 1.00 0.00 H new ATOM 0 HA GLU A 87 -0.898 -5.262 -2.751 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -1.434 -3.179 -3.800 1.00 0.00 H new ATOM 0 HB3 GLU A 87 0.037 -3.189 -4.752 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -1.441 -5.658 -5.218 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -2.502 -4.285 -5.463 1.00 0.00 H new ATOM 1394 N GLY A 88 0.381 -7.135 -3.675 1.00 0.00 N ATOM 1395 CA GLY A 88 1.040 -8.280 -4.279 1.00 0.00 C ATOM 1396 C GLY A 88 2.074 -8.883 -3.325 1.00 0.00 C ATOM 1397 O GLY A 88 2.465 -10.039 -3.479 1.00 0.00 O ATOM 0 H GLY A 88 -0.312 -7.368 -2.964 1.00 0.00 H new ATOM 0 HA2 GLY A 88 0.298 -9.034 -4.541 1.00 0.00 H new ATOM 0 HA3 GLY A 88 1.528 -7.977 -5.205 1.00 0.00 H new ATOM 1401 N GLU A 89 2.487 -8.073 -2.362 1.00 0.00 N ATOM 1402 CA GLU A 89 3.467 -8.513 -1.384 1.00 0.00 C ATOM 1403 C GLU A 89 2.914 -9.681 -0.565 1.00 0.00 C ATOM 1404 O GLU A 89 1.791 -10.128 -0.795 1.00 0.00 O ATOM 1405 CB GLU A 89 3.889 -7.357 -0.474 1.00 0.00 C ATOM 1406 CG GLU A 89 4.753 -6.349 -1.233 1.00 0.00 C ATOM 1407 CD GLU A 89 6.116 -6.949 -1.585 1.00 0.00 C ATOM 1408 OE1 GLU A 89 6.467 -7.969 -0.952 1.00 0.00 O ATOM 1409 OE2 GLU A 89 6.776 -6.375 -2.478 1.00 0.00 O ATOM 0 H GLU A 89 2.161 -7.115 -2.238 1.00 0.00 H new ATOM 0 HA GLU A 89 4.354 -8.857 -1.917 1.00 0.00 H new ATOM 0 HB2 GLU A 89 3.004 -6.858 -0.080 1.00 0.00 H new ATOM 0 HB3 GLU A 89 4.443 -7.746 0.380 1.00 0.00 H new ATOM 0 HG2 GLU A 89 4.241 -6.040 -2.145 1.00 0.00 H new ATOM 0 HG3 GLU A 89 4.892 -5.454 -0.626 1.00 0.00 H new ATOM 1416 N SER A 90 3.729 -10.143 0.372 1.00 0.00 N ATOM 1417 CA SER A 90 3.335 -11.252 1.225 1.00 0.00 C ATOM 1418 C SER A 90 2.616 -10.725 2.469 1.00 0.00 C ATOM 1419 O SER A 90 2.746 -9.552 2.815 1.00 0.00 O ATOM 1420 CB SER A 90 4.547 -12.093 1.630 1.00 0.00 C ATOM 1421 OG SER A 90 5.482 -12.230 0.563 1.00 0.00 O ATOM 0 H SER A 90 4.660 -9.770 0.559 1.00 0.00 H new ATOM 0 HA SER A 90 2.655 -11.891 0.662 1.00 0.00 H new ATOM 0 HB2 SER A 90 5.039 -11.631 2.486 1.00 0.00 H new ATOM 0 HB3 SER A 90 4.213 -13.080 1.949 1.00 0.00 H new ATOM 0 HG SER A 90 6.242 -12.772 0.862 1.00 0.00 H new ATOM 1427 N PRO A 91 1.853 -11.641 3.123 1.00 0.00 N ATOM 1428 CA PRO A 91 1.112 -11.281 4.320 1.00 0.00 C ATOM 1429 C PRO A 91 2.047 -11.149 5.524 1.00 0.00 C ATOM 1430 O PRO A 91 1.647 -10.648 6.574 1.00 0.00 O ATOM 1431 CB PRO A 91 0.078 -12.382 4.489 1.00 0.00 C ATOM 1432 CG PRO A 91 0.575 -13.552 3.656 1.00 0.00 C ATOM 1433 CD PRO A 91 1.675 -13.039 2.741 1.00 0.00 C ATOM 0 HA PRO A 91 0.628 -10.308 4.238 1.00 0.00 H new ATOM 0 HB2 PRO A 91 -0.024 -12.664 5.537 1.00 0.00 H new ATOM 0 HB3 PRO A 91 -0.904 -12.051 4.151 1.00 0.00 H new ATOM 0 HG2 PRO A 91 0.954 -14.346 4.300 1.00 0.00 H new ATOM 0 HG3 PRO A 91 -0.240 -13.978 3.071 1.00 0.00 H new ATOM 0 HD2 PRO A 91 2.596 -13.606 2.873 1.00 0.00 H new ATOM 0 HD3 PRO A 91 1.392 -13.130 1.692 1.00 0.00 H new ATOM 1441 N GLU A 92 3.276 -11.607 5.331 1.00 0.00 N ATOM 1442 CA GLU A 92 4.271 -11.546 6.388 1.00 0.00 C ATOM 1443 C GLU A 92 5.107 -10.271 6.258 1.00 0.00 C ATOM 1444 O GLU A 92 5.502 -9.678 7.260 1.00 0.00 O ATOM 1445 CB GLU A 92 5.162 -12.790 6.375 1.00 0.00 C ATOM 1446 CG GLU A 92 4.320 -14.066 6.324 1.00 0.00 C ATOM 1447 CD GLU A 92 4.444 -14.857 7.628 1.00 0.00 C ATOM 1448 OE1 GLU A 92 3.929 -14.352 8.649 1.00 0.00 O ATOM 1449 OE2 GLU A 92 5.050 -15.949 7.574 1.00 0.00 O ATOM 0 H GLU A 92 3.605 -12.021 4.459 1.00 0.00 H new ATOM 0 HA GLU A 92 3.753 -11.521 7.347 1.00 0.00 H new ATOM 0 HB2 GLU A 92 5.829 -12.755 5.513 1.00 0.00 H new ATOM 0 HB3 GLU A 92 5.791 -12.800 7.265 1.00 0.00 H new ATOM 0 HG2 GLU A 92 3.275 -13.810 6.148 1.00 0.00 H new ATOM 0 HG3 GLU A 92 4.642 -14.685 5.487 1.00 0.00 H new ATOM 1456 N ALA A 93 5.353 -9.888 5.013 1.00 0.00 N ATOM 1457 CA ALA A 93 6.135 -8.695 4.738 1.00 0.00 C ATOM 1458 C ALA A 93 5.288 -7.455 5.036 1.00 0.00 C ATOM 1459 O ALA A 93 5.804 -6.448 5.518 1.00 0.00 O ATOM 1460 CB ALA A 93 6.628 -8.729 3.291 1.00 0.00 C ATOM 0 H ALA A 93 5.024 -10.383 4.184 1.00 0.00 H new ATOM 0 HA ALA A 93 7.014 -8.657 5.381 1.00 0.00 H new ATOM 0 HB1 ALA A 93 7.215 -7.834 3.085 1.00 0.00 H new ATOM 0 HB2 ALA A 93 7.248 -9.612 3.139 1.00 0.00 H new ATOM 0 HB3 ALA A 93 5.773 -8.765 2.616 1.00 0.00 H new ATOM 1466 N VAL A 94 4.003 -7.570 4.737 1.00 0.00 N ATOM 1467 CA VAL A 94 3.080 -6.472 4.966 1.00 0.00 C ATOM 1468 C VAL A 94 2.897 -6.271 6.472 1.00 0.00 C ATOM 1469 O VAL A 94 2.515 -5.189 6.916 1.00 0.00 O ATOM 1470 CB VAL A 94 1.762 -6.734 4.234 1.00 0.00 C ATOM 1471 CG1 VAL A 94 0.639 -5.861 4.797 1.00 0.00 C ATOM 1472 CG2 VAL A 94 1.920 -6.521 2.728 1.00 0.00 C ATOM 0 H VAL A 94 3.579 -8.407 4.338 1.00 0.00 H new ATOM 0 HA VAL A 94 3.483 -5.544 4.560 1.00 0.00 H new ATOM 0 HB VAL A 94 1.489 -7.777 4.398 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -0.286 -6.067 4.259 1.00 0.00 H new ATOM 0 HG12 VAL A 94 0.501 -6.083 5.855 1.00 0.00 H new ATOM 0 HG13 VAL A 94 0.901 -4.810 4.678 1.00 0.00 H new ATOM 0 HG21 VAL A 94 0.969 -6.714 2.232 1.00 0.00 H new ATOM 0 HG22 VAL A 94 2.228 -5.493 2.536 1.00 0.00 H new ATOM 0 HG23 VAL A 94 2.676 -7.204 2.341 1.00 0.00 H new ATOM 1482 N LEU A 95 3.180 -7.330 7.217 1.00 0.00 N ATOM 1483 CA LEU A 95 3.052 -7.283 8.663 1.00 0.00 C ATOM 1484 C LEU A 95 4.367 -6.791 9.272 1.00 0.00 C ATOM 1485 O LEU A 95 4.364 -6.090 10.282 1.00 0.00 O ATOM 1486 CB LEU A 95 2.593 -8.638 9.205 1.00 0.00 C ATOM 1487 CG LEU A 95 1.081 -8.828 9.342 1.00 0.00 C ATOM 1488 CD1 LEU A 95 0.725 -10.309 9.479 1.00 0.00 C ATOM 1489 CD2 LEU A 95 0.527 -7.996 10.501 1.00 0.00 C ATOM 0 H LEU A 95 3.497 -8.225 6.846 1.00 0.00 H new ATOM 0 HA LEU A 95 2.279 -6.571 8.953 1.00 0.00 H new ATOM 0 HB2 LEU A 95 2.979 -9.419 8.550 1.00 0.00 H new ATOM 0 HB3 LEU A 95 3.048 -8.789 10.184 1.00 0.00 H new ATOM 0 HG LEU A 95 0.607 -8.466 8.430 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -0.355 -10.416 9.575 1.00 0.00 H new ATOM 0 HD12 LEU A 95 1.066 -10.848 8.595 1.00 0.00 H new ATOM 0 HD13 LEU A 95 1.210 -10.719 10.365 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -0.550 -8.149 10.577 1.00 0.00 H new ATOM 0 HD22 LEU A 95 1.004 -8.305 11.431 1.00 0.00 H new ATOM 0 HD23 LEU A 95 0.732 -6.941 10.322 1.00 0.00 H new ATOM 1501 N GLU A 96 5.460 -7.179 8.631 1.00 0.00 N ATOM 1502 CA GLU A 96 6.779 -6.786 9.096 1.00 0.00 C ATOM 1503 C GLU A 96 6.953 -5.270 8.982 1.00 0.00 C ATOM 1504 O GLU A 96 7.916 -4.711 9.505 1.00 0.00 O ATOM 1505 CB GLU A 96 7.875 -7.523 8.323 1.00 0.00 C ATOM 1506 CG GLU A 96 8.025 -8.962 8.821 1.00 0.00 C ATOM 1507 CD GLU A 96 8.996 -9.035 10.001 1.00 0.00 C ATOM 1508 OE1 GLU A 96 10.078 -8.421 9.883 1.00 0.00 O ATOM 1509 OE2 GLU A 96 8.635 -9.705 10.992 1.00 0.00 O ATOM 0 H GLU A 96 5.459 -7.761 7.794 1.00 0.00 H new ATOM 0 HA GLU A 96 6.870 -7.064 10.146 1.00 0.00 H new ATOM 0 HB2 GLU A 96 7.636 -7.526 7.260 1.00 0.00 H new ATOM 0 HB3 GLU A 96 8.822 -6.995 8.435 1.00 0.00 H new ATOM 0 HG2 GLU A 96 7.052 -9.350 9.122 1.00 0.00 H new ATOM 0 HG3 GLU A 96 8.384 -9.596 8.010 1.00 0.00 H new ATOM 1516 N VAL A 97 6.005 -4.648 8.297 1.00 0.00 N ATOM 1517 CA VAL A 97 6.041 -3.208 8.108 1.00 0.00 C ATOM 1518 C VAL A 97 5.623 -2.517 9.407 1.00 0.00 C ATOM 1519 O VAL A 97 4.573 -2.827 9.969 1.00 0.00 O ATOM 1520 CB VAL A 97 5.169 -2.814 6.914 1.00 0.00 C ATOM 1521 CG1 VAL A 97 5.244 -1.308 6.653 1.00 0.00 C ATOM 1522 CG2 VAL A 97 5.559 -3.607 5.665 1.00 0.00 C ATOM 0 H VAL A 97 5.207 -5.115 7.866 1.00 0.00 H new ATOM 0 HA VAL A 97 7.054 -2.879 7.876 1.00 0.00 H new ATOM 0 HB VAL A 97 4.136 -3.060 7.158 1.00 0.00 H new ATOM 0 HG11 VAL A 97 4.615 -1.055 5.799 1.00 0.00 H new ATOM 0 HG12 VAL A 97 4.895 -0.768 7.533 1.00 0.00 H new ATOM 0 HG13 VAL A 97 6.275 -1.027 6.440 1.00 0.00 H new ATOM 0 HG21 VAL A 97 4.924 -3.308 4.831 1.00 0.00 H new ATOM 0 HG22 VAL A 97 6.601 -3.407 5.417 1.00 0.00 H new ATOM 0 HG23 VAL A 97 5.430 -4.672 5.855 1.00 0.00 H new ATOM 1532 N PRO A 98 6.487 -1.569 9.859 1.00 0.00 N ATOM 1533 CA PRO A 98 6.218 -0.832 11.081 1.00 0.00 C ATOM 1534 C PRO A 98 5.128 0.219 10.859 1.00 0.00 C ATOM 1535 O PRO A 98 4.800 0.548 9.720 1.00 0.00 O ATOM 1536 CB PRO A 98 7.554 -0.226 11.478 1.00 0.00 C ATOM 1537 CG PRO A 98 8.415 -0.258 10.226 1.00 0.00 C ATOM 1538 CD PRO A 98 7.740 -1.176 9.220 1.00 0.00 C ATOM 0 HA PRO A 98 5.831 -1.467 11.878 1.00 0.00 H new ATOM 0 HB2 PRO A 98 7.428 0.795 11.839 1.00 0.00 H new ATOM 0 HB3 PRO A 98 8.017 -0.795 12.285 1.00 0.00 H new ATOM 0 HG2 PRO A 98 8.526 0.745 9.813 1.00 0.00 H new ATOM 0 HG3 PRO A 98 9.416 -0.619 10.460 1.00 0.00 H new ATOM 0 HD2 PRO A 98 7.559 -0.663 8.275 1.00 0.00 H new ATOM 0 HD3 PRO A 98 8.360 -2.044 8.998 1.00 0.00 H new ATOM 1546 N PRO A 99 4.582 0.730 11.995 1.00 0.00 N ATOM 1547 CA PRO A 99 3.536 1.737 11.936 1.00 0.00 C ATOM 1548 C PRO A 99 4.111 3.103 11.556 1.00 0.00 C ATOM 1549 O PRO A 99 3.372 4.078 11.430 1.00 0.00 O ATOM 1550 CB PRO A 99 2.898 1.723 13.315 1.00 0.00 C ATOM 1551 CG PRO A 99 3.904 1.048 14.233 1.00 0.00 C ATOM 1552 CD PRO A 99 4.945 0.364 13.361 1.00 0.00 C ATOM 0 HA PRO A 99 2.793 1.527 11.167 1.00 0.00 H new ATOM 0 HB2 PRO A 99 2.678 2.735 13.654 1.00 0.00 H new ATOM 0 HB3 PRO A 99 1.954 1.179 13.303 1.00 0.00 H new ATOM 0 HG2 PRO A 99 4.376 1.781 14.887 1.00 0.00 H new ATOM 0 HG3 PRO A 99 3.407 0.321 14.875 1.00 0.00 H new ATOM 0 HD2 PRO A 99 5.952 0.702 13.607 1.00 0.00 H new ATOM 0 HD3 PRO A 99 4.929 -0.717 13.499 1.00 0.00 H new ATOM 1560 N GLY A 100 5.424 3.130 11.384 1.00 0.00 N ATOM 1561 CA GLY A 100 6.107 4.360 11.021 1.00 0.00 C ATOM 1562 C GLY A 100 7.241 4.087 10.031 1.00 0.00 C ATOM 1563 O GLY A 100 8.394 4.423 10.295 1.00 0.00 O ATOM 0 H GLY A 100 6.034 2.319 11.489 1.00 0.00 H new ATOM 0 HA2 GLY A 100 5.396 5.059 10.581 1.00 0.00 H new ATOM 0 HA3 GLY A 100 6.508 4.835 11.916 1.00 0.00 H new ATOM 1567 N PHE A 101 6.873 3.479 8.913 1.00 0.00 N ATOM 1568 CA PHE A 101 7.846 3.156 7.882 1.00 0.00 C ATOM 1569 C PHE A 101 8.024 4.326 6.912 1.00 0.00 C ATOM 1570 O PHE A 101 8.761 4.217 5.933 1.00 0.00 O ATOM 1571 CB PHE A 101 7.301 1.950 7.115 1.00 0.00 C ATOM 1572 CG PHE A 101 6.067 2.260 6.264 1.00 0.00 C ATOM 1573 CD1 PHE A 101 6.213 2.828 5.037 1.00 0.00 C ATOM 1574 CD2 PHE A 101 4.825 1.967 6.734 1.00 0.00 C ATOM 1575 CE1 PHE A 101 5.069 3.116 4.247 1.00 0.00 C ATOM 1576 CE2 PHE A 101 3.681 2.254 5.944 1.00 0.00 C ATOM 1577 CZ PHE A 101 3.827 2.822 4.717 1.00 0.00 C ATOM 0 H PHE A 101 5.915 3.201 8.698 1.00 0.00 H new ATOM 0 HA PHE A 101 8.814 2.945 8.336 1.00 0.00 H new ATOM 0 HB2 PHE A 101 8.086 1.558 6.469 1.00 0.00 H new ATOM 0 HB3 PHE A 101 7.051 1.163 7.826 1.00 0.00 H new ATOM 0 HD1 PHE A 101 7.199 3.060 4.663 1.00 0.00 H new ATOM 0 HD2 PHE A 101 4.709 1.516 7.708 1.00 0.00 H new ATOM 0 HE1 PHE A 101 5.185 3.568 3.273 1.00 0.00 H new ATOM 0 HE2 PHE A 101 2.695 2.021 6.317 1.00 0.00 H new ATOM 0 HZ PHE A 101 2.957 3.040 4.116 1.00 0.00 H new ATOM 1587 N TYR A 102 7.337 5.417 7.217 1.00 0.00 N ATOM 1588 CA TYR A 102 7.410 6.605 6.384 1.00 0.00 C ATOM 1589 C TYR A 102 8.178 7.723 7.091 1.00 0.00 C ATOM 1590 O TYR A 102 8.201 8.859 6.619 1.00 0.00 O ATOM 1591 CB TYR A 102 5.965 7.055 6.163 1.00 0.00 C ATOM 1592 CG TYR A 102 5.148 7.176 7.451 1.00 0.00 C ATOM 1593 CD1 TYR A 102 5.513 8.093 8.416 1.00 0.00 C ATOM 1594 CD2 TYR A 102 4.045 6.370 7.648 1.00 0.00 C ATOM 1595 CE1 TYR A 102 4.744 8.207 9.629 1.00 0.00 C ATOM 1596 CE2 TYR A 102 3.276 6.484 8.860 1.00 0.00 C ATOM 1597 CZ TYR A 102 3.663 7.397 9.790 1.00 0.00 C ATOM 1598 OH TYR A 102 2.937 7.505 10.935 1.00 0.00 O ATOM 0 H TYR A 102 6.727 5.503 8.030 1.00 0.00 H new ATOM 0 HA TYR A 102 7.927 6.387 5.449 1.00 0.00 H new ATOM 0 HB2 TYR A 102 5.969 8.020 5.655 1.00 0.00 H new ATOM 0 HB3 TYR A 102 5.472 6.346 5.497 1.00 0.00 H new ATOM 0 HD1 TYR A 102 6.375 8.725 8.262 1.00 0.00 H new ATOM 0 HD2 TYR A 102 3.759 5.653 6.893 1.00 0.00 H new ATOM 0 HE1 TYR A 102 5.019 8.919 10.393 1.00 0.00 H new ATOM 0 HE2 TYR A 102 2.411 5.858 9.026 1.00 0.00 H new ATOM 0 HH TYR A 102 3.172 8.338 11.394 1.00 0.00 H new ATOM 1608 N ARG A 103 8.788 7.363 8.210 1.00 0.00 N ATOM 1609 CA ARG A 103 9.555 8.323 8.987 1.00 0.00 C ATOM 1610 C ARG A 103 10.984 8.420 8.449 1.00 0.00 C ATOM 1611 O ARG A 103 11.568 9.502 8.420 1.00 0.00 O ATOM 1612 CB ARG A 103 9.599 7.926 10.464 1.00 0.00 C ATOM 1613 CG ARG A 103 8.202 7.972 11.086 1.00 0.00 C ATOM 1614 CD ARG A 103 8.246 7.569 12.562 1.00 0.00 C ATOM 1615 NE ARG A 103 8.511 6.118 12.682 1.00 0.00 N ATOM 1616 CZ ARG A 103 8.455 5.437 13.835 1.00 0.00 C ATOM 1617 NH1 ARG A 103 8.144 6.072 14.973 1.00 0.00 N ATOM 1618 NH2 ARG A 103 8.710 4.122 13.850 1.00 0.00 N ATOM 0 H ARG A 103 8.767 6.420 8.598 1.00 0.00 H new ATOM 0 HA ARG A 103 9.063 9.291 8.897 1.00 0.00 H new ATOM 0 HB2 ARG A 103 10.012 6.922 10.562 1.00 0.00 H new ATOM 0 HB3 ARG A 103 10.264 8.599 11.005 1.00 0.00 H new ATOM 0 HG2 ARG A 103 7.791 8.977 10.992 1.00 0.00 H new ATOM 0 HG3 ARG A 103 7.535 7.303 10.542 1.00 0.00 H new ATOM 0 HD2 ARG A 103 9.023 8.133 13.079 1.00 0.00 H new ATOM 0 HD3 ARG A 103 7.300 7.815 13.043 1.00 0.00 H new ATOM 0 HE ARG A 103 8.751 5.604 11.834 1.00 0.00 H new ATOM 0 HH11 ARG A 103 7.950 7.073 14.962 1.00 0.00 H new ATOM 0 HH12 ARG A 103 8.101 5.554 15.851 1.00 0.00 H new ATOM 0 HH21 ARG A 103 8.947 3.639 12.984 1.00 0.00 H new ATOM 0 HH22 ARG A 103 8.667 3.604 14.728 1.00 0.00 H new ATOM 1632 N GLY A 104 11.506 7.274 8.035 1.00 0.00 N ATOM 1633 CA GLY A 104 12.855 7.216 7.500 1.00 0.00 C ATOM 1634 C GLY A 104 12.881 7.649 6.032 1.00 0.00 C ATOM 1635 O GLY A 104 13.442 6.953 5.187 1.00 0.00 O ATOM 0 H GLY A 104 11.018 6.379 8.060 1.00 0.00 H new ATOM 0 HA2 GLY A 104 13.510 7.861 8.085 1.00 0.00 H new ATOM 0 HA3 GLY A 104 13.243 6.201 7.591 1.00 0.00 H new ATOM 1639 N TYR A 105 12.268 8.795 5.775 1.00 0.00 N ATOM 1640 CA TYR A 105 12.214 9.328 4.424 1.00 0.00 C ATOM 1641 C TYR A 105 11.793 10.799 4.432 1.00 0.00 C ATOM 1642 O TYR A 105 12.555 11.664 4.862 1.00 0.00 O ATOM 1643 CB TYR A 105 11.151 8.509 3.690 1.00 0.00 C ATOM 1644 CG TYR A 105 11.531 7.043 3.477 1.00 0.00 C ATOM 1645 CD1 TYR A 105 12.582 6.716 2.645 1.00 0.00 C ATOM 1646 CD2 TYR A 105 10.823 6.046 4.118 1.00 0.00 C ATOM 1647 CE1 TYR A 105 12.940 5.336 2.445 1.00 0.00 C ATOM 1648 CE2 TYR A 105 11.181 4.666 3.918 1.00 0.00 C ATOM 1649 CZ TYR A 105 12.222 4.379 3.092 1.00 0.00 C ATOM 1650 OH TYR A 105 12.560 3.075 2.903 1.00 0.00 O ATOM 0 H TYR A 105 11.804 9.369 6.479 1.00 0.00 H new ATOM 0 HA TYR A 105 13.192 9.266 3.947 1.00 0.00 H new ATOM 0 HB2 TYR A 105 10.219 8.554 4.254 1.00 0.00 H new ATOM 0 HB3 TYR A 105 10.959 8.968 2.720 1.00 0.00 H new ATOM 0 HD1 TYR A 105 13.136 7.496 2.144 1.00 0.00 H new ATOM 0 HD2 TYR A 105 10.000 6.301 4.770 1.00 0.00 H new ATOM 0 HE1 TYR A 105 13.760 5.067 1.796 1.00 0.00 H new ATOM 0 HE2 TYR A 105 10.635 3.877 4.413 1.00 0.00 H new ATOM 0 HH TYR A 105 11.962 2.503 3.428 1.00 0.00 H new ATOM 1660 N GLY A 106 10.582 11.037 3.951 1.00 0.00 N ATOM 1661 CA GLY A 106 10.051 12.389 3.897 1.00 0.00 C ATOM 1662 C GLY A 106 8.553 12.377 3.584 1.00 0.00 C ATOM 1663 O GLY A 106 8.084 13.149 2.749 1.00 0.00 O ATOM 0 H GLY A 106 9.953 10.317 3.595 1.00 0.00 H new ATOM 0 HA2 GLY A 106 10.223 12.890 4.850 1.00 0.00 H new ATOM 0 HA3 GLY A 106 10.581 12.962 3.136 1.00 0.00 H new ATOM 1667 N LEU A 107 7.845 11.492 4.270 1.00 0.00 N ATOM 1668 CA LEU A 107 6.410 11.370 4.076 1.00 0.00 C ATOM 1669 C LEU A 107 5.683 12.083 5.218 1.00 0.00 C ATOM 1670 O LEU A 107 4.730 12.824 4.984 1.00 0.00 O ATOM 1671 CB LEU A 107 6.014 9.900 3.918 1.00 0.00 C ATOM 1672 CG LEU A 107 5.881 9.393 2.481 1.00 0.00 C ATOM 1673 CD1 LEU A 107 6.160 7.890 2.402 1.00 0.00 C ATOM 1674 CD2 LEU A 107 4.514 9.753 1.897 1.00 0.00 C ATOM 0 H LEU A 107 8.238 10.853 4.961 1.00 0.00 H new ATOM 0 HA LEU A 107 6.108 11.859 3.150 1.00 0.00 H new ATOM 0 HB2 LEU A 107 6.755 9.287 4.431 1.00 0.00 H new ATOM 0 HB3 LEU A 107 5.063 9.744 4.427 1.00 0.00 H new ATOM 0 HG LEU A 107 6.634 9.893 1.871 1.00 0.00 H new ATOM 0 HD11 LEU A 107 6.059 7.555 1.370 1.00 0.00 H new ATOM 0 HD12 LEU A 107 7.173 7.689 2.751 1.00 0.00 H new ATOM 0 HD13 LEU A 107 5.447 7.354 3.029 1.00 0.00 H new ATOM 0 HD21 LEU A 107 4.446 9.381 0.875 1.00 0.00 H new ATOM 0 HD22 LEU A 107 3.729 9.299 2.502 1.00 0.00 H new ATOM 0 HD23 LEU A 107 4.392 10.836 1.898 1.00 0.00 H new ATOM 1686 N GLU A 108 6.161 11.834 6.428 1.00 0.00 N ATOM 1687 CA GLU A 108 5.568 12.443 7.607 1.00 0.00 C ATOM 1688 C GLU A 108 5.442 13.956 7.416 1.00 0.00 C ATOM 1689 O GLU A 108 4.416 14.545 7.754 1.00 0.00 O ATOM 1690 CB GLU A 108 6.379 12.115 8.861 1.00 0.00 C ATOM 1691 CG GLU A 108 5.800 12.819 10.090 1.00 0.00 C ATOM 1692 CD GLU A 108 6.890 13.575 10.853 1.00 0.00 C ATOM 1693 OE1 GLU A 108 7.888 12.917 11.217 1.00 0.00 O ATOM 1694 OE2 GLU A 108 6.700 14.794 11.054 1.00 0.00 O ATOM 0 H GLU A 108 6.952 11.219 6.618 1.00 0.00 H new ATOM 0 HA GLU A 108 4.569 12.028 7.742 1.00 0.00 H new ATOM 0 HB2 GLU A 108 6.383 11.037 9.024 1.00 0.00 H new ATOM 0 HB3 GLU A 108 7.416 12.420 8.718 1.00 0.00 H new ATOM 0 HG2 GLU A 108 5.019 13.514 9.781 1.00 0.00 H new ATOM 0 HG3 GLU A 108 5.333 12.086 10.747 1.00 0.00 H new ATOM 1701 N GLU A 109 6.500 14.542 6.875 1.00 0.00 N ATOM 1702 CA GLU A 109 6.521 15.975 6.635 1.00 0.00 C ATOM 1703 C GLU A 109 5.567 16.336 5.494 1.00 0.00 C ATOM 1704 O GLU A 109 5.385 17.512 5.182 1.00 0.00 O ATOM 1705 CB GLU A 109 7.941 16.460 6.336 1.00 0.00 C ATOM 1706 CG GLU A 109 8.553 15.682 5.170 1.00 0.00 C ATOM 1707 CD GLU A 109 9.956 15.182 5.520 1.00 0.00 C ATOM 1708 OE1 GLU A 109 10.048 14.362 6.459 1.00 0.00 O ATOM 1709 OE2 GLU A 109 10.904 15.631 4.841 1.00 0.00 O ATOM 0 H GLU A 109 7.349 14.050 6.596 1.00 0.00 H new ATOM 0 HA GLU A 109 6.183 16.480 7.540 1.00 0.00 H new ATOM 0 HB2 GLU A 109 7.923 17.524 6.098 1.00 0.00 H new ATOM 0 HB3 GLU A 109 8.564 16.342 7.223 1.00 0.00 H new ATOM 0 HG2 GLU A 109 7.914 14.836 4.918 1.00 0.00 H new ATOM 0 HG3 GLU A 109 8.600 16.320 4.287 1.00 0.00 H new ATOM 1716 N PHE A 110 4.983 15.304 4.904 1.00 0.00 N ATOM 1717 CA PHE A 110 4.053 15.498 3.805 1.00 0.00 C ATOM 1718 C PHE A 110 2.606 15.346 4.279 1.00 0.00 C ATOM 1719 O PHE A 110 1.737 16.127 3.892 1.00 0.00 O ATOM 1720 CB PHE A 110 4.353 14.414 2.768 1.00 0.00 C ATOM 1721 CG PHE A 110 4.633 14.956 1.365 1.00 0.00 C ATOM 1722 CD1 PHE A 110 3.616 15.464 0.617 1.00 0.00 C ATOM 1723 CD2 PHE A 110 5.897 14.929 0.865 1.00 0.00 C ATOM 1724 CE1 PHE A 110 3.876 15.967 -0.685 1.00 0.00 C ATOM 1725 CE2 PHE A 110 6.156 15.432 -0.437 1.00 0.00 C ATOM 1726 CZ PHE A 110 5.140 15.940 -1.185 1.00 0.00 C ATOM 0 H PHE A 110 5.136 14.330 5.166 1.00 0.00 H new ATOM 0 HA PHE A 110 4.169 16.500 3.392 1.00 0.00 H new ATOM 0 HB2 PHE A 110 5.214 13.835 3.101 1.00 0.00 H new ATOM 0 HB3 PHE A 110 3.507 13.728 2.719 1.00 0.00 H new ATOM 0 HD1 PHE A 110 2.612 15.485 1.014 1.00 0.00 H new ATOM 0 HD2 PHE A 110 6.704 14.525 1.458 1.00 0.00 H new ATOM 0 HE1 PHE A 110 3.069 16.371 -1.278 1.00 0.00 H new ATOM 0 HE2 PHE A 110 7.160 15.411 -0.834 1.00 0.00 H new ATOM 0 HZ PHE A 110 5.337 16.322 -2.176 1.00 0.00 H new ATOM 1736 N PHE A 111 2.391 14.337 5.110 1.00 0.00 N ATOM 1737 CA PHE A 111 1.065 14.073 5.640 1.00 0.00 C ATOM 1738 C PHE A 111 0.957 14.527 7.098 1.00 0.00 C ATOM 1739 O PHE A 111 0.038 14.124 7.810 1.00 0.00 O ATOM 1740 CB PHE A 111 0.848 12.560 5.572 1.00 0.00 C ATOM 1741 CG PHE A 111 0.711 12.015 4.149 1.00 0.00 C ATOM 1742 CD1 PHE A 111 -0.238 12.520 3.316 1.00 0.00 C ATOM 1743 CD2 PHE A 111 1.538 11.025 3.717 1.00 0.00 C ATOM 1744 CE1 PHE A 111 -0.366 12.014 1.995 1.00 0.00 C ATOM 1745 CE2 PHE A 111 1.410 10.519 2.397 1.00 0.00 C ATOM 1746 CZ PHE A 111 0.461 11.024 1.563 1.00 0.00 C ATOM 0 H PHE A 111 3.114 13.692 5.429 1.00 0.00 H new ATOM 0 HA PHE A 111 0.318 14.617 5.061 1.00 0.00 H new ATOM 0 HB2 PHE A 111 1.684 12.061 6.062 1.00 0.00 H new ATOM 0 HB3 PHE A 111 -0.050 12.306 6.135 1.00 0.00 H new ATOM 0 HD1 PHE A 111 -0.894 13.306 3.659 1.00 0.00 H new ATOM 0 HD2 PHE A 111 2.292 10.624 4.378 1.00 0.00 H new ATOM 0 HE1 PHE A 111 -1.120 12.415 1.334 1.00 0.00 H new ATOM 0 HE2 PHE A 111 2.066 9.733 2.054 1.00 0.00 H new ATOM 0 HZ PHE A 111 0.364 10.639 0.559 1.00 0.00 H new ATOM 1756 N THR A 112 1.908 15.358 7.497 1.00 0.00 N ATOM 1757 CA THR A 112 1.932 15.870 8.857 1.00 0.00 C ATOM 1758 C THR A 112 1.901 14.717 9.862 1.00 0.00 C ATOM 1759 O THR A 112 1.586 13.584 9.502 1.00 0.00 O ATOM 1760 CB THR A 112 0.764 16.845 9.015 1.00 0.00 C ATOM 1761 OG1 THR A 112 -0.363 16.004 9.247 1.00 0.00 O ATOM 1762 CG2 THR A 112 0.425 17.570 7.711 1.00 0.00 C ATOM 0 H THR A 112 2.668 15.690 6.903 1.00 0.00 H new ATOM 0 HA THR A 112 2.856 16.411 9.060 1.00 0.00 H new ATOM 0 HB THR A 112 1.006 17.577 9.785 1.00 0.00 H new ATOM 0 HG1 THR A 112 -0.147 15.086 8.979 1.00 0.00 H new ATOM 0 HG21 THR A 112 -0.411 18.249 7.879 1.00 0.00 H new ATOM 0 HG22 THR A 112 1.292 18.138 7.374 1.00 0.00 H new ATOM 0 HG23 THR A 112 0.151 16.840 6.949 1.00 0.00 H new ATOM 1770 N PRO A 113 2.241 15.055 11.135 1.00 0.00 N ATOM 1771 CA PRO A 113 2.255 14.060 12.194 1.00 0.00 C ATOM 1772 C PRO A 113 0.833 13.705 12.632 1.00 0.00 C ATOM 1773 O PRO A 113 0.620 12.699 13.307 1.00 0.00 O ATOM 1774 CB PRO A 113 3.081 14.684 13.308 1.00 0.00 C ATOM 1775 CG PRO A 113 3.107 16.177 13.021 1.00 0.00 C ATOM 1776 CD PRO A 113 2.620 16.387 11.597 1.00 0.00 C ATOM 0 HA PRO A 113 2.690 13.113 11.875 1.00 0.00 H new ATOM 0 HB2 PRO A 113 2.638 14.481 14.283 1.00 0.00 H new ATOM 0 HB3 PRO A 113 4.090 14.272 13.324 1.00 0.00 H new ATOM 0 HG2 PRO A 113 2.470 16.712 13.725 1.00 0.00 H new ATOM 0 HG3 PRO A 113 4.116 16.571 13.141 1.00 0.00 H new ATOM 0 HD2 PRO A 113 1.774 17.073 11.565 1.00 0.00 H new ATOM 0 HD3 PRO A 113 3.402 16.816 10.970 1.00 0.00 H new ATOM 1784 N LEU A 114 -0.105 14.551 12.229 1.00 0.00 N ATOM 1785 CA LEU A 114 -1.501 14.339 12.571 1.00 0.00 C ATOM 1786 C LEU A 114 -2.141 13.415 11.534 1.00 0.00 C ATOM 1787 O LEU A 114 -2.497 12.279 11.844 1.00 0.00 O ATOM 1788 CB LEU A 114 -2.223 15.678 12.731 1.00 0.00 C ATOM 1789 CG LEU A 114 -3.208 15.775 13.898 1.00 0.00 C ATOM 1790 CD1 LEU A 114 -4.238 14.645 13.839 1.00 0.00 C ATOM 1791 CD2 LEU A 114 -2.470 15.809 15.237 1.00 0.00 C ATOM 0 H LEU A 114 0.075 15.384 11.669 1.00 0.00 H new ATOM 0 HA LEU A 114 -1.585 13.841 13.537 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -1.473 16.460 12.849 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -2.763 15.890 11.808 1.00 0.00 H new ATOM 0 HG LEU A 114 -3.754 16.714 13.808 1.00 0.00 H new ATOM 0 HD11 LEU A 114 -4.927 14.736 14.679 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -4.795 14.709 12.904 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -3.727 13.684 13.891 1.00 0.00 H new ATOM 0 HD21 LEU A 114 -3.193 15.878 16.049 1.00 0.00 H new ATOM 0 HD22 LEU A 114 -1.882 14.899 15.351 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -1.808 16.675 15.266 1.00 0.00 H new ATOM 1803 N ARG A 115 -2.268 13.936 10.322 1.00 0.00 N ATOM 1804 CA ARG A 115 -2.859 13.172 9.237 1.00 0.00 C ATOM 1805 C ARG A 115 -2.341 11.733 9.257 1.00 0.00 C ATOM 1806 O ARG A 115 -3.052 10.808 8.869 1.00 0.00 O ATOM 1807 CB ARG A 115 -2.539 13.804 7.880 1.00 0.00 C ATOM 1808 CG ARG A 115 -3.813 14.023 7.063 1.00 0.00 C ATOM 1809 CD ARG A 115 -3.661 15.219 6.121 1.00 0.00 C ATOM 1810 NE ARG A 115 -3.806 16.482 6.879 1.00 0.00 N ATOM 1811 CZ ARG A 115 -3.856 17.696 6.313 1.00 0.00 C ATOM 1812 NH1 ARG A 115 -3.772 17.819 4.982 1.00 0.00 N ATOM 1813 NH2 ARG A 115 -3.989 18.787 7.080 1.00 0.00 N ATOM 0 H ARG A 115 -1.971 14.878 10.068 1.00 0.00 H new ATOM 0 HA ARG A 115 -3.940 13.174 9.380 1.00 0.00 H new ATOM 0 HB2 ARG A 115 -2.030 14.756 8.029 1.00 0.00 H new ATOM 0 HB3 ARG A 115 -1.855 13.160 7.327 1.00 0.00 H new ATOM 0 HG2 ARG A 115 -4.037 13.126 6.485 1.00 0.00 H new ATOM 0 HG3 ARG A 115 -4.656 14.189 7.734 1.00 0.00 H new ATOM 0 HD2 ARG A 115 -2.686 15.187 5.634 1.00 0.00 H new ATOM 0 HD3 ARG A 115 -4.413 15.170 5.333 1.00 0.00 H new ATOM 0 HE ARG A 115 -3.872 16.425 7.895 1.00 0.00 H new ATOM 0 HH11 ARG A 115 -3.670 16.989 4.399 1.00 0.00 H new ATOM 0 HH12 ARG A 115 -3.810 18.743 4.552 1.00 0.00 H new ATOM 0 HH21 ARG A 115 -4.052 18.693 8.094 1.00 0.00 H new ATOM 0 HH22 ARG A 115 -4.027 19.711 6.650 1.00 0.00 H new ATOM 1827 N LEU A 116 -1.105 11.589 9.713 1.00 0.00 N ATOM 1828 CA LEU A 116 -0.483 10.278 9.789 1.00 0.00 C ATOM 1829 C LEU A 116 -1.282 9.394 10.749 1.00 0.00 C ATOM 1830 O LEU A 116 -1.596 8.249 10.429 1.00 0.00 O ATOM 1831 CB LEU A 116 0.996 10.407 10.158 1.00 0.00 C ATOM 1832 CG LEU A 116 1.940 10.800 9.019 1.00 0.00 C ATOM 1833 CD1 LEU A 116 3.271 11.320 9.565 1.00 0.00 C ATOM 1834 CD2 LEU A 116 2.135 9.637 8.044 1.00 0.00 C ATOM 0 H LEU A 116 -0.518 12.359 10.034 1.00 0.00 H new ATOM 0 HA LEU A 116 -0.503 9.790 8.815 1.00 0.00 H new ATOM 0 HB2 LEU A 116 1.089 11.148 10.952 1.00 0.00 H new ATOM 0 HB3 LEU A 116 1.332 9.455 10.569 1.00 0.00 H new ATOM 0 HG LEU A 116 1.481 11.616 8.460 1.00 0.00 H new ATOM 0 HD11 LEU A 116 3.923 11.592 8.735 1.00 0.00 H new ATOM 0 HD12 LEU A 116 3.091 12.196 10.188 1.00 0.00 H new ATOM 0 HD13 LEU A 116 3.748 10.543 10.162 1.00 0.00 H new ATOM 0 HD21 LEU A 116 2.810 9.942 7.244 1.00 0.00 H new ATOM 0 HD22 LEU A 116 2.562 8.786 8.574 1.00 0.00 H new ATOM 0 HD23 LEU A 116 1.172 9.354 7.618 1.00 0.00 H new ATOM 1846 N ARG A 117 -1.586 9.960 11.908 1.00 0.00 N ATOM 1847 CA ARG A 117 -2.342 9.238 12.917 1.00 0.00 C ATOM 1848 C ARG A 117 -3.382 8.332 12.255 1.00 0.00 C ATOM 1849 O ARG A 117 -3.476 7.149 12.578 1.00 0.00 O ATOM 1850 CB ARG A 117 -3.049 10.202 13.871 1.00 0.00 C ATOM 1851 CG ARG A 117 -2.037 10.981 14.714 1.00 0.00 C ATOM 1852 CD ARG A 117 -2.586 11.256 16.115 1.00 0.00 C ATOM 1853 NE ARG A 117 -1.549 11.908 16.946 1.00 0.00 N ATOM 1854 CZ ARG A 117 -1.808 12.602 18.062 1.00 0.00 C ATOM 1855 NH1 ARG A 117 -3.071 12.739 18.488 1.00 0.00 N ATOM 1856 NH2 ARG A 117 -0.804 13.160 18.752 1.00 0.00 N ATOM 0 H ARG A 117 -1.323 10.910 12.170 1.00 0.00 H new ATOM 0 HA ARG A 117 -1.638 8.632 13.487 1.00 0.00 H new ATOM 0 HB2 ARG A 117 -3.664 10.898 13.301 1.00 0.00 H new ATOM 0 HB3 ARG A 117 -3.720 9.645 14.525 1.00 0.00 H new ATOM 0 HG2 ARG A 117 -1.108 10.415 14.788 1.00 0.00 H new ATOM 0 HG3 ARG A 117 -1.798 11.924 14.222 1.00 0.00 H new ATOM 0 HD2 ARG A 117 -3.467 11.895 16.050 1.00 0.00 H new ATOM 0 HD3 ARG A 117 -2.903 10.323 16.580 1.00 0.00 H new ATOM 0 HE ARG A 117 -0.576 11.824 16.650 1.00 0.00 H new ATOM 0 HH11 ARG A 117 -3.835 12.315 17.962 1.00 0.00 H new ATOM 0 HH12 ARG A 117 -3.268 13.267 19.338 1.00 0.00 H new ATOM 0 HH21 ARG A 117 0.157 13.056 18.427 1.00 0.00 H new ATOM 0 HH22 ARG A 117 -1.001 13.689 19.602 1.00 0.00 H new ATOM 1870 N GLY A 118 -4.137 8.923 11.340 1.00 0.00 N ATOM 1871 CA GLY A 118 -5.167 8.184 10.629 1.00 0.00 C ATOM 1872 C GLY A 118 -4.548 7.200 9.635 1.00 0.00 C ATOM 1873 O GLY A 118 -4.837 6.005 9.678 1.00 0.00 O ATOM 0 H GLY A 118 -4.056 9.905 11.075 1.00 0.00 H new ATOM 0 HA2 GLY A 118 -5.789 7.643 11.342 1.00 0.00 H new ATOM 0 HA3 GLY A 118 -5.819 8.879 10.100 1.00 0.00 H new ATOM 1877 N LEU A 119 -3.709 7.738 8.763 1.00 0.00 N ATOM 1878 CA LEU A 119 -3.047 6.922 7.759 1.00 0.00 C ATOM 1879 C LEU A 119 -2.432 5.694 8.432 1.00 0.00 C ATOM 1880 O LEU A 119 -2.522 4.584 7.908 1.00 0.00 O ATOM 1881 CB LEU A 119 -2.039 7.759 6.968 1.00 0.00 C ATOM 1882 CG LEU A 119 -2.598 8.518 5.762 1.00 0.00 C ATOM 1883 CD1 LEU A 119 -4.092 8.799 5.936 1.00 0.00 C ATOM 1884 CD2 LEU A 119 -1.800 9.797 5.503 1.00 0.00 C ATOM 0 H LEU A 119 -3.472 8.730 8.731 1.00 0.00 H new ATOM 0 HA LEU A 119 -3.768 6.558 7.027 1.00 0.00 H new ATOM 0 HB2 LEU A 119 -1.583 8.480 7.647 1.00 0.00 H new ATOM 0 HB3 LEU A 119 -1.243 7.101 6.621 1.00 0.00 H new ATOM 0 HG LEU A 119 -2.490 7.887 4.880 1.00 0.00 H new ATOM 0 HD11 LEU A 119 -4.464 9.339 5.066 1.00 0.00 H new ATOM 0 HD12 LEU A 119 -4.630 7.856 6.036 1.00 0.00 H new ATOM 0 HD13 LEU A 119 -4.247 9.402 6.831 1.00 0.00 H new ATOM 0 HD21 LEU A 119 -2.217 10.318 4.641 1.00 0.00 H new ATOM 0 HD22 LEU A 119 -1.854 10.443 6.379 1.00 0.00 H new ATOM 0 HD23 LEU A 119 -0.759 9.542 5.304 1.00 0.00 H new ATOM 1896 N GLU A 120 -1.820 5.933 9.582 1.00 0.00 N ATOM 1897 CA GLU A 120 -1.190 4.859 10.332 1.00 0.00 C ATOM 1898 C GLU A 120 -2.213 3.769 10.659 1.00 0.00 C ATOM 1899 O GLU A 120 -2.049 2.618 10.255 1.00 0.00 O ATOM 1900 CB GLU A 120 -0.532 5.393 11.606 1.00 0.00 C ATOM 1901 CG GLU A 120 0.563 6.408 11.274 1.00 0.00 C ATOM 1902 CD GLU A 120 0.876 7.293 12.482 1.00 0.00 C ATOM 1903 OE1 GLU A 120 1.569 6.787 13.391 1.00 0.00 O ATOM 1904 OE2 GLU A 120 0.414 8.454 12.470 1.00 0.00 O ATOM 0 H GLU A 120 -1.747 6.854 10.013 1.00 0.00 H new ATOM 0 HA GLU A 120 -0.407 4.421 9.714 1.00 0.00 H new ATOM 0 HB2 GLU A 120 -1.285 5.860 12.240 1.00 0.00 H new ATOM 0 HB3 GLU A 120 -0.106 4.566 12.174 1.00 0.00 H new ATOM 0 HG2 GLU A 120 1.466 5.884 10.959 1.00 0.00 H new ATOM 0 HG3 GLU A 120 0.246 7.029 10.436 1.00 0.00 H new ATOM 1911 N ALA A 121 -3.245 4.169 11.386 1.00 0.00 N ATOM 1912 CA ALA A 121 -4.294 3.240 11.771 1.00 0.00 C ATOM 1913 C ALA A 121 -4.578 2.287 10.608 1.00 0.00 C ATOM 1914 O ALA A 121 -4.903 1.120 10.822 1.00 0.00 O ATOM 1915 CB ALA A 121 -5.537 4.023 12.200 1.00 0.00 C ATOM 0 H ALA A 121 -3.378 5.124 11.719 1.00 0.00 H new ATOM 0 HA ALA A 121 -3.979 2.636 12.622 1.00 0.00 H new ATOM 0 HB1 ALA A 121 -6.324 3.326 12.489 1.00 0.00 H new ATOM 0 HB2 ALA A 121 -5.290 4.663 13.047 1.00 0.00 H new ATOM 0 HB3 ALA A 121 -5.884 4.638 11.370 1.00 0.00 H new ATOM 1921 N ALA A 122 -4.446 2.821 9.402 1.00 0.00 N ATOM 1922 CA ALA A 122 -4.684 2.032 8.205 1.00 0.00 C ATOM 1923 C ALA A 122 -3.813 0.775 8.245 1.00 0.00 C ATOM 1924 O ALA A 122 -4.324 -0.341 8.173 1.00 0.00 O ATOM 1925 CB ALA A 122 -4.414 2.889 6.967 1.00 0.00 C ATOM 0 H ALA A 122 -4.178 3.790 9.228 1.00 0.00 H new ATOM 0 HA ALA A 122 -5.724 1.710 8.159 1.00 0.00 H new ATOM 0 HB1 ALA A 122 -4.592 2.297 6.069 1.00 0.00 H new ATOM 0 HB2 ALA A 122 -5.079 3.753 6.970 1.00 0.00 H new ATOM 0 HB3 ALA A 122 -3.378 3.228 6.978 1.00 0.00 H new ATOM 1931 N LEU A 123 -2.512 0.999 8.361 1.00 0.00 N ATOM 1932 CA LEU A 123 -1.565 -0.102 8.412 1.00 0.00 C ATOM 1933 C LEU A 123 -1.884 -0.988 9.617 1.00 0.00 C ATOM 1934 O LEU A 123 -2.207 -2.165 9.459 1.00 0.00 O ATOM 1935 CB LEU A 123 -0.129 0.426 8.400 1.00 0.00 C ATOM 1936 CG LEU A 123 0.972 -0.627 8.257 1.00 0.00 C ATOM 1937 CD1 LEU A 123 1.084 -1.109 6.809 1.00 0.00 C ATOM 1938 CD2 LEU A 123 2.306 -0.102 8.791 1.00 0.00 C ATOM 0 H LEU A 123 -2.092 1.926 8.421 1.00 0.00 H new ATOM 0 HA LEU A 123 -1.658 -0.726 7.523 1.00 0.00 H new ATOM 0 HB2 LEU A 123 -0.032 1.138 7.581 1.00 0.00 H new ATOM 0 HB3 LEU A 123 0.042 0.978 9.324 1.00 0.00 H new ATOM 0 HG LEU A 123 0.700 -1.490 8.864 1.00 0.00 H new ATOM 0 HD11 LEU A 123 1.874 -1.857 6.734 1.00 0.00 H new ATOM 0 HD12 LEU A 123 0.137 -1.549 6.498 1.00 0.00 H new ATOM 0 HD13 LEU A 123 1.322 -0.265 6.162 1.00 0.00 H new ATOM 0 HD21 LEU A 123 3.071 -0.870 8.677 1.00 0.00 H new ATOM 0 HD22 LEU A 123 2.598 0.786 8.231 1.00 0.00 H new ATOM 0 HD23 LEU A 123 2.201 0.152 9.846 1.00 0.00 H new ATOM 1950 N LEU A 124 -1.784 -0.390 10.795 1.00 0.00 N ATOM 1951 CA LEU A 124 -2.058 -1.110 12.027 1.00 0.00 C ATOM 1952 C LEU A 124 -3.284 -2.003 11.828 1.00 0.00 C ATOM 1953 O LEU A 124 -3.232 -3.203 12.091 1.00 0.00 O ATOM 1954 CB LEU A 124 -2.190 -0.136 13.199 1.00 0.00 C ATOM 1955 CG LEU A 124 -0.897 0.544 13.655 1.00 0.00 C ATOM 1956 CD1 LEU A 124 -1.194 1.862 14.372 1.00 0.00 C ATOM 1957 CD2 LEU A 124 -0.056 -0.400 14.517 1.00 0.00 C ATOM 0 H LEU A 124 -1.517 0.586 10.922 1.00 0.00 H new ATOM 0 HA LEU A 124 -1.224 -1.764 12.280 1.00 0.00 H new ATOM 0 HB2 LEU A 124 -2.906 0.638 12.924 1.00 0.00 H new ATOM 0 HB3 LEU A 124 -2.613 -0.674 14.047 1.00 0.00 H new ATOM 0 HG LEU A 124 -0.307 0.784 12.770 1.00 0.00 H new ATOM 0 HD11 LEU A 124 -0.258 2.325 14.686 1.00 0.00 H new ATOM 0 HD12 LEU A 124 -1.722 2.534 13.695 1.00 0.00 H new ATOM 0 HD13 LEU A 124 -1.814 1.668 15.247 1.00 0.00 H new ATOM 0 HD21 LEU A 124 0.857 0.108 14.828 1.00 0.00 H new ATOM 0 HD22 LEU A 124 -0.626 -0.693 15.398 1.00 0.00 H new ATOM 0 HD23 LEU A 124 0.201 -1.288 13.940 1.00 0.00 H new ATOM 1969 N ARG A 125 -4.360 -1.382 11.365 1.00 0.00 N ATOM 1970 CA ARG A 125 -5.597 -2.106 11.128 1.00 0.00 C ATOM 1971 C ARG A 125 -5.350 -3.287 10.188 1.00 0.00 C ATOM 1972 O ARG A 125 -5.507 -4.442 10.581 1.00 0.00 O ATOM 1973 CB ARG A 125 -6.662 -1.191 10.518 1.00 0.00 C ATOM 1974 CG ARG A 125 -7.376 -0.382 11.603 1.00 0.00 C ATOM 1975 CD ARG A 125 -8.283 0.684 10.984 1.00 0.00 C ATOM 1976 NE ARG A 125 -9.454 0.921 11.857 1.00 0.00 N ATOM 1977 CZ ARG A 125 -9.404 1.595 13.014 1.00 0.00 C ATOM 1978 NH1 ARG A 125 -8.241 2.103 13.444 1.00 0.00 N ATOM 1979 NH2 ARG A 125 -10.517 1.762 13.741 1.00 0.00 N ATOM 0 H ARG A 125 -4.400 -0.386 11.148 1.00 0.00 H new ATOM 0 HA ARG A 125 -5.956 -2.473 12.090 1.00 0.00 H new ATOM 0 HB2 ARG A 125 -6.198 -0.514 9.801 1.00 0.00 H new ATOM 0 HB3 ARG A 125 -7.388 -1.789 9.968 1.00 0.00 H new ATOM 0 HG2 ARG A 125 -7.968 -1.049 12.229 1.00 0.00 H new ATOM 0 HG3 ARG A 125 -6.640 0.093 12.251 1.00 0.00 H new ATOM 0 HD2 ARG A 125 -7.727 1.612 10.848 1.00 0.00 H new ATOM 0 HD3 ARG A 125 -8.614 0.363 9.997 1.00 0.00 H new ATOM 0 HE ARG A 125 -10.356 0.548 11.559 1.00 0.00 H new ATOM 0 HH11 ARG A 125 -7.394 1.977 12.891 1.00 0.00 H new ATOM 0 HH12 ARG A 125 -8.203 2.616 14.325 1.00 0.00 H new ATOM 0 HH21 ARG A 125 -11.403 1.376 13.414 1.00 0.00 H new ATOM 0 HH22 ARG A 125 -10.479 2.275 14.622 1.00 0.00 H new ATOM 1993 N LEU A 126 -4.968 -2.957 8.963 1.00 0.00 N ATOM 1994 CA LEU A 126 -4.697 -3.976 7.963 1.00 0.00 C ATOM 1995 C LEU A 126 -3.852 -5.087 8.589 1.00 0.00 C ATOM 1996 O LEU A 126 -4.201 -6.263 8.498 1.00 0.00 O ATOM 1997 CB LEU A 126 -4.066 -3.350 6.718 1.00 0.00 C ATOM 1998 CG LEU A 126 -4.867 -2.231 6.049 1.00 0.00 C ATOM 1999 CD1 LEU A 126 -3.937 -1.203 5.401 1.00 0.00 C ATOM 2000 CD2 LEU A 126 -5.876 -2.801 5.051 1.00 0.00 C ATOM 0 H LEU A 126 -4.840 -1.998 8.640 1.00 0.00 H new ATOM 0 HA LEU A 126 -5.626 -4.435 7.625 1.00 0.00 H new ATOM 0 HB2 LEU A 126 -3.087 -2.956 6.991 1.00 0.00 H new ATOM 0 HB3 LEU A 126 -3.899 -4.139 5.984 1.00 0.00 H new ATOM 0 HG LEU A 126 -5.436 -1.710 6.819 1.00 0.00 H new ATOM 0 HD11 LEU A 126 -4.532 -0.419 4.933 1.00 0.00 H new ATOM 0 HD12 LEU A 126 -3.293 -0.764 6.163 1.00 0.00 H new ATOM 0 HD13 LEU A 126 -3.323 -1.693 4.645 1.00 0.00 H new ATOM 0 HD21 LEU A 126 -6.432 -1.985 4.590 1.00 0.00 H new ATOM 0 HD22 LEU A 126 -5.348 -3.362 4.280 1.00 0.00 H new ATOM 0 HD23 LEU A 126 -6.568 -3.463 5.571 1.00 0.00 H new ATOM 2012 N GLN A 127 -2.757 -4.675 9.211 1.00 0.00 N ATOM 2013 CA GLN A 127 -1.860 -5.620 9.852 1.00 0.00 C ATOM 2014 C GLN A 127 -2.642 -6.541 10.792 1.00 0.00 C ATOM 2015 O GLN A 127 -2.262 -7.693 10.996 1.00 0.00 O ATOM 2016 CB GLN A 127 -0.742 -4.894 10.602 1.00 0.00 C ATOM 2017 CG GLN A 127 0.325 -4.380 9.633 1.00 0.00 C ATOM 2018 CD GLN A 127 1.728 -4.568 10.213 1.00 0.00 C ATOM 2019 OE1 GLN A 127 1.910 -4.886 11.376 1.00 0.00 O ATOM 2020 NE2 GLN A 127 2.708 -4.353 9.339 1.00 0.00 N ATOM 0 H GLN A 127 -2.471 -3.699 9.284 1.00 0.00 H new ATOM 0 HA GLN A 127 -1.396 -6.231 9.078 1.00 0.00 H new ATOM 0 HB2 GLN A 127 -1.159 -4.059 11.165 1.00 0.00 H new ATOM 0 HB3 GLN A 127 -0.286 -5.570 11.325 1.00 0.00 H new ATOM 0 HG2 GLN A 127 0.246 -4.911 8.684 1.00 0.00 H new ATOM 0 HG3 GLN A 127 0.153 -3.324 9.423 1.00 0.00 H new ATOM 0 HE21 GLN A 127 2.486 -4.089 8.379 1.00 0.00 H new ATOM 0 HE22 GLN A 127 3.681 -4.452 9.629 1.00 0.00 H new ATOM 2029 N ALA A 128 -3.720 -5.998 11.338 1.00 0.00 N ATOM 2030 CA ALA A 128 -4.559 -6.756 12.251 1.00 0.00 C ATOM 2031 C ALA A 128 -5.484 -7.671 11.446 1.00 0.00 C ATOM 2032 O ALA A 128 -5.950 -8.690 11.954 1.00 0.00 O ATOM 2033 CB ALA A 128 -5.332 -5.793 13.154 1.00 0.00 C ATOM 0 H ALA A 128 -4.032 -5.042 11.166 1.00 0.00 H new ATOM 0 HA ALA A 128 -3.950 -7.389 12.896 1.00 0.00 H new ATOM 0 HB1 ALA A 128 -5.961 -6.362 13.839 1.00 0.00 H new ATOM 0 HB2 ALA A 128 -4.629 -5.187 13.726 1.00 0.00 H new ATOM 0 HB3 ALA A 128 -5.957 -5.143 12.542 1.00 0.00 H new ATOM 2039 N GLN A 129 -5.723 -7.274 10.205 1.00 0.00 N ATOM 2040 CA GLN A 129 -6.584 -8.045 9.325 1.00 0.00 C ATOM 2041 C GLN A 129 -5.783 -9.150 8.633 1.00 0.00 C ATOM 2042 O GLN A 129 -6.357 -10.109 8.120 1.00 0.00 O ATOM 2043 CB GLN A 129 -7.270 -7.141 8.299 1.00 0.00 C ATOM 2044 CG GLN A 129 -8.476 -6.429 8.915 1.00 0.00 C ATOM 2045 CD GLN A 129 -9.644 -6.375 7.929 1.00 0.00 C ATOM 2046 OE1 GLN A 129 -10.410 -7.314 7.780 1.00 0.00 O ATOM 2047 NE2 GLN A 129 -9.738 -5.227 7.264 1.00 0.00 N ATOM 0 H GLN A 129 -5.335 -6.428 9.788 1.00 0.00 H new ATOM 0 HA GLN A 129 -7.363 -8.511 9.928 1.00 0.00 H new ATOM 0 HB2 GLN A 129 -6.559 -6.404 7.926 1.00 0.00 H new ATOM 0 HB3 GLN A 129 -7.592 -7.735 7.443 1.00 0.00 H new ATOM 0 HG2 GLN A 129 -8.785 -6.948 9.822 1.00 0.00 H new ATOM 0 HG3 GLN A 129 -8.195 -5.417 9.207 1.00 0.00 H new ATOM 0 HE21 GLN A 129 -9.064 -4.481 7.436 1.00 0.00 H new ATOM 0 HE22 GLN A 129 -10.484 -5.092 6.582 1.00 0.00 H new ATOM 2056 N VAL A 130 -4.469 -8.979 8.642 1.00 0.00 N ATOM 2057 CA VAL A 130 -3.584 -9.950 8.021 1.00 0.00 C ATOM 2058 C VAL A 130 -3.433 -11.159 8.946 1.00 0.00 C ATOM 2059 O VAL A 130 -3.614 -12.299 8.519 1.00 0.00 O ATOM 2060 CB VAL A 130 -2.247 -9.292 7.674 1.00 0.00 C ATOM 2061 CG1 VAL A 130 -1.357 -10.247 6.876 1.00 0.00 C ATOM 2062 CG2 VAL A 130 -2.462 -7.980 6.916 1.00 0.00 C ATOM 0 H VAL A 130 -3.996 -8.183 9.069 1.00 0.00 H new ATOM 0 HA VAL A 130 -4.008 -10.309 7.083 1.00 0.00 H new ATOM 0 HB VAL A 130 -1.736 -9.059 8.608 1.00 0.00 H new ATOM 0 HG11 VAL A 130 -0.413 -9.755 6.642 1.00 0.00 H new ATOM 0 HG12 VAL A 130 -1.163 -11.142 7.466 1.00 0.00 H new ATOM 0 HG13 VAL A 130 -1.860 -10.525 5.950 1.00 0.00 H new ATOM 0 HG21 VAL A 130 -1.496 -7.533 6.681 1.00 0.00 H new ATOM 0 HG22 VAL A 130 -3.004 -8.179 5.991 1.00 0.00 H new ATOM 0 HG23 VAL A 130 -3.039 -7.293 7.535 1.00 0.00 H new ATOM 2072 N ARG A 131 -3.102 -10.871 10.196 1.00 0.00 N ATOM 2073 CA ARG A 131 -2.925 -11.921 11.185 1.00 0.00 C ATOM 2074 C ARG A 131 -3.920 -13.056 10.938 1.00 0.00 C ATOM 2075 O ARG A 131 -3.582 -14.228 11.095 1.00 0.00 O ATOM 2076 CB ARG A 131 -3.119 -11.380 12.603 1.00 0.00 C ATOM 2077 CG ARG A 131 -1.774 -11.049 13.252 1.00 0.00 C ATOM 2078 CD ARG A 131 -1.971 -10.432 14.639 1.00 0.00 C ATOM 2079 NE ARG A 131 -2.217 -11.497 15.636 1.00 0.00 N ATOM 2080 CZ ARG A 131 -1.302 -12.401 16.011 1.00 0.00 C ATOM 2081 NH1 ARG A 131 -0.075 -12.375 15.473 1.00 0.00 N ATOM 2082 NH2 ARG A 131 -1.614 -13.332 16.924 1.00 0.00 N ATOM 0 H ARG A 131 -2.952 -9.925 10.547 1.00 0.00 H new ATOM 0 HA ARG A 131 -1.907 -12.299 11.089 1.00 0.00 H new ATOM 0 HB2 ARG A 131 -3.742 -10.486 12.573 1.00 0.00 H new ATOM 0 HB3 ARG A 131 -3.647 -12.117 13.208 1.00 0.00 H new ATOM 0 HG2 ARG A 131 -1.174 -11.955 13.335 1.00 0.00 H new ATOM 0 HG3 ARG A 131 -1.221 -10.357 12.617 1.00 0.00 H new ATOM 0 HD2 ARG A 131 -1.088 -9.857 14.919 1.00 0.00 H new ATOM 0 HD3 ARG A 131 -2.811 -9.738 14.621 1.00 0.00 H new ATOM 0 HE ARG A 131 -3.141 -11.546 16.065 1.00 0.00 H new ATOM 0 HH11 ARG A 131 0.162 -11.667 14.778 1.00 0.00 H new ATOM 0 HH12 ARG A 131 0.622 -13.063 15.758 1.00 0.00 H new ATOM 0 HH21 ARG A 131 -2.548 -13.352 17.333 1.00 0.00 H new ATOM 0 HH22 ARG A 131 -0.917 -14.020 17.209 1.00 0.00 H new ATOM 2096 N LYS A 132 -5.128 -12.668 10.556 1.00 0.00 N ATOM 2097 CA LYS A 132 -6.176 -13.639 10.287 1.00 0.00 C ATOM 2098 C LYS A 132 -5.783 -14.481 9.071 1.00 0.00 C ATOM 2099 O LYS A 132 -5.766 -15.709 9.141 1.00 0.00 O ATOM 2100 CB LYS A 132 -7.529 -12.940 10.140 1.00 0.00 C ATOM 2101 CG LYS A 132 -7.830 -12.067 11.360 1.00 0.00 C ATOM 2102 CD LYS A 132 -7.795 -10.582 10.993 1.00 0.00 C ATOM 2103 CE LYS A 132 -9.040 -10.184 10.198 1.00 0.00 C ATOM 2104 NZ LYS A 132 -9.697 -9.012 10.817 1.00 0.00 N ATOM 0 H LYS A 132 -5.405 -11.695 10.426 1.00 0.00 H new ATOM 0 HA LYS A 132 -6.287 -14.324 11.128 1.00 0.00 H new ATOM 0 HB2 LYS A 132 -7.529 -12.326 9.240 1.00 0.00 H new ATOM 0 HB3 LYS A 132 -8.316 -13.684 10.018 1.00 0.00 H new ATOM 0 HG2 LYS A 132 -8.810 -12.323 11.762 1.00 0.00 H new ATOM 0 HG3 LYS A 132 -7.101 -12.269 12.145 1.00 0.00 H new ATOM 0 HD2 LYS A 132 -7.731 -9.981 11.900 1.00 0.00 H new ATOM 0 HD3 LYS A 132 -6.901 -10.370 10.406 1.00 0.00 H new ATOM 0 HE2 LYS A 132 -8.763 -9.952 9.170 1.00 0.00 H new ATOM 0 HE3 LYS A 132 -9.737 -11.021 10.160 1.00 0.00 H new ATOM 0 HZ1 LYS A 132 -10.147 -8.435 10.078 1.00 0.00 H new ATOM 0 HZ2 LYS A 132 -10.420 -9.335 11.491 1.00 0.00 H new ATOM 0 HZ3 LYS A 132 -8.987 -8.440 11.318 1.00 0.00 H new ATOM 2118 N ALA A 133 -5.478 -13.787 7.984 1.00 0.00 N ATOM 2119 CA ALA A 133 -5.088 -14.455 6.754 1.00 0.00 C ATOM 2120 C ALA A 133 -4.107 -15.583 7.082 1.00 0.00 C ATOM 2121 O ALA A 133 -4.264 -16.705 6.602 1.00 0.00 O ATOM 2122 CB ALA A 133 -4.496 -13.432 5.783 1.00 0.00 C ATOM 0 H ALA A 133 -5.493 -12.769 7.930 1.00 0.00 H new ATOM 0 HA ALA A 133 -5.955 -14.902 6.268 1.00 0.00 H new ATOM 0 HB1 ALA A 133 -4.203 -13.933 4.860 1.00 0.00 H new ATOM 0 HB2 ALA A 133 -5.241 -12.668 5.561 1.00 0.00 H new ATOM 0 HB3 ALA A 133 -3.621 -12.965 6.235 1.00 0.00 H new ATOM 2128 N LEU A 134 -3.118 -15.247 7.896 1.00 0.00 N ATOM 2129 CA LEU A 134 -2.112 -16.218 8.293 1.00 0.00 C ATOM 2130 C LEU A 134 -2.798 -17.535 8.660 1.00 0.00 C ATOM 2131 O LEU A 134 -2.352 -18.606 8.251 1.00 0.00 O ATOM 2132 CB LEU A 134 -1.232 -15.651 9.409 1.00 0.00 C ATOM 2133 CG LEU A 134 -0.215 -14.589 8.987 1.00 0.00 C ATOM 2134 CD1 LEU A 134 -0.917 -13.316 8.511 1.00 0.00 C ATOM 2135 CD2 LEU A 134 0.782 -14.307 10.113 1.00 0.00 C ATOM 0 H LEU A 134 -2.991 -14.316 8.292 1.00 0.00 H new ATOM 0 HA LEU A 134 -1.438 -16.430 7.463 1.00 0.00 H new ATOM 0 HB2 LEU A 134 -1.880 -15.222 10.173 1.00 0.00 H new ATOM 0 HB3 LEU A 134 -0.694 -16.476 9.875 1.00 0.00 H new ATOM 0 HG LEU A 134 0.354 -14.978 8.142 1.00 0.00 H new ATOM 0 HD11 LEU A 134 -0.171 -12.577 8.217 1.00 0.00 H new ATOM 0 HD12 LEU A 134 -1.553 -13.549 7.657 1.00 0.00 H new ATOM 0 HD13 LEU A 134 -1.527 -12.913 9.319 1.00 0.00 H new ATOM 0 HD21 LEU A 134 1.494 -13.549 9.787 1.00 0.00 H new ATOM 0 HD22 LEU A 134 0.246 -13.948 10.992 1.00 0.00 H new ATOM 0 HD23 LEU A 134 1.317 -15.223 10.363 1.00 0.00 H new ATOM 2147 N THR A 135 -3.872 -17.413 9.426 1.00 0.00 N ATOM 2148 CA THR A 135 -4.624 -18.581 9.853 1.00 0.00 C ATOM 2149 C THR A 135 -6.096 -18.440 9.461 1.00 0.00 C ATOM 2150 O THR A 135 -6.985 -18.749 10.253 1.00 0.00 O ATOM 2151 CB THR A 135 -4.409 -18.758 11.357 1.00 0.00 C ATOM 2152 OG1 THR A 135 -4.914 -20.063 11.629 1.00 0.00 O ATOM 2153 CG2 THR A 135 -5.301 -17.833 12.189 1.00 0.00 C ATOM 0 H THR A 135 -4.240 -16.523 9.762 1.00 0.00 H new ATOM 0 HA THR A 135 -4.272 -19.483 9.352 1.00 0.00 H new ATOM 0 HB THR A 135 -3.363 -18.568 11.599 1.00 0.00 H new ATOM 0 HG1 THR A 135 -5.845 -20.122 11.329 1.00 0.00 H new ATOM 0 HG21 THR A 135 -5.109 -17.999 13.249 1.00 0.00 H new ATOM 0 HG22 THR A 135 -5.082 -16.795 11.939 1.00 0.00 H new ATOM 0 HG23 THR A 135 -6.348 -18.046 11.972 1.00 0.00 H new ATOM 2161 N SER A 136 -6.308 -17.972 8.240 1.00 0.00 N ATOM 2162 CA SER A 136 -7.657 -17.786 7.733 1.00 0.00 C ATOM 2163 C SER A 136 -8.083 -19.009 6.918 1.00 0.00 C ATOM 2164 O SER A 136 -9.217 -19.081 6.447 1.00 0.00 O ATOM 2165 CB SER A 136 -7.756 -16.519 6.882 1.00 0.00 C ATOM 2166 OG SER A 136 -9.064 -16.337 6.345 1.00 0.00 O ATOM 0 H SER A 136 -5.568 -17.716 7.587 1.00 0.00 H new ATOM 0 HA SER A 136 -8.329 -17.672 8.583 1.00 0.00 H new ATOM 0 HB2 SER A 136 -7.489 -15.653 7.488 1.00 0.00 H new ATOM 0 HB3 SER A 136 -7.034 -16.572 6.067 1.00 0.00 H new ATOM 0 HG SER A 136 -9.527 -17.200 6.313 1.00 0.00 H new TER 2172 SER A 136