USER MOD reduce.3.24.130724 H: found=0, std=0, add=411, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 409 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 41 GLN : amide:sc= 0.461 K(o=2.9,f=0.092) USER MOD Set 1.2: A 51 GLN : amide:sc= 1.23 K(o=2.9,f=0.092) USER MOD Set 1.3: A 55 TYR OH : rot 147:sc= 1.24 USER MOD Single : A 1 PHE N :NH3+ -156:sc= -3.18! (180deg=-4.49!) USER MOD Single : A 3 ASN : amide:sc= 0 K(o=0,f=-2!) USER MOD Single : A 4 GLN :FLIP amide:sc= -5.16! C(o=-5.9!,f=-5.2!) USER MOD Single : A 5 HIS : no HE2:sc= -11.7! C(o=-12!,f=-13!) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 TYR OH : rot -130:sc= -2.1! USER MOD Single : A 27 THR OG1 : rot 51:sc= -0.0285! USER MOD Single : A 30 THR OG1 : rot 180:sc= -1.81! USER MOD Single : A 44 HIS :FLIP no HD1:sc= -2.52! C(o=-6.4!,f=-2.5!) USER MOD Single : A 45 SER OG : rot 180:sc= 0.00609 USER MOD Single : A 48 SER OG : rot 16:sc= 1.01 USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 ASN : amide:sc= -0.0182 K(o=-0.018,f=-1.8!) USER MOD Single : A 57 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N PHE A 1 10.054 0.354 -2.779 1.00 0.00 N ATOM 2 CA PHE A 1 10.211 1.722 -3.346 1.00 0.00 C ATOM 3 C PHE A 1 10.619 2.692 -2.244 1.00 0.00 C ATOM 4 O PHE A 1 10.676 2.349 -1.080 1.00 0.00 O ATOM 5 CB PHE A 1 8.890 2.168 -3.987 1.00 0.00 C ATOM 6 CG PHE A 1 7.918 2.616 -2.919 1.00 0.00 C ATOM 7 CD1 PHE A 1 7.320 1.676 -2.070 1.00 0.00 C ATOM 8 CD2 PHE A 1 7.617 3.975 -2.778 1.00 0.00 C ATOM 9 CE1 PHE A 1 6.420 2.096 -1.080 1.00 0.00 C ATOM 10 CE2 PHE A 1 6.719 4.397 -1.787 1.00 0.00 C ATOM 11 CZ PHE A 1 6.121 3.458 -0.939 1.00 0.00 C ATOM 0 H1 PHE A 1 10.181 -0.351 -3.533 1.00 0.00 H new ATOM 0 H2 PHE A 1 10.768 0.201 -2.038 1.00 0.00 H new ATOM 0 H3 PHE A 1 9.103 0.255 -2.369 1.00 0.00 H new ATOM 0 HA PHE A 1 10.988 1.712 -4.110 1.00 0.00 H new ATOM 0 HB2 PHE A 1 9.074 2.983 -4.687 1.00 0.00 H new ATOM 0 HB3 PHE A 1 8.459 1.347 -4.560 1.00 0.00 H new ATOM 0 HD1 PHE A 1 7.552 0.627 -2.178 1.00 0.00 H new ATOM 0 HD2 PHE A 1 8.077 4.700 -3.433 1.00 0.00 H new ATOM 0 HE1 PHE A 1 5.958 1.371 -0.427 1.00 0.00 H new ATOM 0 HE2 PHE A 1 6.489 5.447 -1.678 1.00 0.00 H new ATOM 0 HZ PHE A 1 5.429 3.783 -0.176 1.00 0.00 H new ATOM 23 N VAL A 2 10.929 3.900 -2.614 1.00 0.00 N ATOM 24 CA VAL A 2 11.361 4.900 -1.611 1.00 0.00 C ATOM 25 C VAL A 2 10.241 5.886 -1.334 1.00 0.00 C ATOM 26 O VAL A 2 9.070 5.591 -1.457 1.00 0.00 O ATOM 27 CB VAL A 2 12.594 5.629 -2.161 1.00 0.00 C ATOM 28 CG1 VAL A 2 12.207 6.834 -3.028 1.00 0.00 C ATOM 29 CG2 VAL A 2 13.479 6.068 -1.004 1.00 0.00 C ATOM 0 H VAL A 2 10.901 4.237 -3.576 1.00 0.00 H new ATOM 0 HA VAL A 2 11.610 4.405 -0.672 1.00 0.00 H new ATOM 0 HB VAL A 2 13.142 4.937 -2.801 1.00 0.00 H new ATOM 0 HG11 VAL A 2 13.109 7.321 -3.397 1.00 0.00 H new ATOM 0 HG12 VAL A 2 11.606 6.497 -3.872 1.00 0.00 H new ATOM 0 HG13 VAL A 2 11.631 7.541 -2.432 1.00 0.00 H new ATOM 0 HG21 VAL A 2 14.356 6.586 -1.393 1.00 0.00 H new ATOM 0 HG22 VAL A 2 12.920 6.740 -0.353 1.00 0.00 H new ATOM 0 HG23 VAL A 2 13.797 5.193 -0.437 1.00 0.00 H new ATOM 39 N ASN A 3 10.612 7.057 -0.963 1.00 0.00 N ATOM 40 CA ASN A 3 9.603 8.113 -0.671 1.00 0.00 C ATOM 41 C ASN A 3 9.020 8.623 -1.983 1.00 0.00 C ATOM 42 O ASN A 3 9.543 9.531 -2.596 1.00 0.00 O ATOM 43 CB ASN A 3 10.263 9.270 0.084 1.00 0.00 C ATOM 44 CG ASN A 3 10.710 8.787 1.466 1.00 0.00 C ATOM 45 OD1 ASN A 3 11.697 8.090 1.588 1.00 0.00 O ATOM 46 ND2 ASN A 3 10.020 9.132 2.519 1.00 0.00 N ATOM 0 H ASN A 3 11.583 7.345 -0.844 1.00 0.00 H new ATOM 0 HA ASN A 3 8.808 7.695 -0.053 1.00 0.00 H new ATOM 0 HB2 ASN A 3 11.120 9.643 -0.477 1.00 0.00 H new ATOM 0 HB3 ASN A 3 9.563 10.099 0.185 1.00 0.00 H new ATOM 0 HD21 ASN A 3 10.310 8.816 3.445 1.00 0.00 H new ATOM 0 HD22 ASN A 3 9.191 9.717 2.416 1.00 0.00 H new ATOM 53 N GLN A 4 7.938 8.044 -2.420 1.00 0.00 N ATOM 54 CA GLN A 4 7.328 8.500 -3.694 1.00 0.00 C ATOM 55 C GLN A 4 5.819 8.686 -3.518 1.00 0.00 C ATOM 56 O GLN A 4 5.254 8.387 -2.476 1.00 0.00 O ATOM 57 CB GLN A 4 7.600 7.468 -4.795 1.00 0.00 C ATOM 58 CG GLN A 4 6.661 6.271 -4.630 1.00 0.00 C ATOM 59 CD GLN A 4 7.125 5.128 -5.532 1.00 0.00 C ATOM 60 OE1 GLN A 4 6.706 3.916 -5.296 1.00 0.00 O flip ATOM 61 NE2 GLN A 4 7.876 5.341 -6.464 1.00 0.00 N flip ATOM 0 H GLN A 4 7.453 7.279 -1.951 1.00 0.00 H new ATOM 0 HA GLN A 4 7.770 9.455 -3.978 1.00 0.00 H new ATOM 0 HB2 GLN A 4 7.455 7.922 -5.775 1.00 0.00 H new ATOM 0 HB3 GLN A 4 8.637 7.137 -4.747 1.00 0.00 H new ATOM 0 HG2 GLN A 4 6.650 5.945 -3.590 1.00 0.00 H new ATOM 0 HG3 GLN A 4 5.641 6.558 -4.885 1.00 0.00 H new ATOM 0 HE21 GLN A 4 8.204 6.289 -6.649 1.00 0.00 H new ATOM 0 HE22 GLN A 4 8.178 4.572 -7.061 1.00 0.00 H new ATOM 70 N HIS A 5 5.169 9.183 -4.538 1.00 0.00 N ATOM 71 CA HIS A 5 3.701 9.408 -4.468 1.00 0.00 C ATOM 72 C HIS A 5 2.986 8.190 -5.057 1.00 0.00 C ATOM 73 O HIS A 5 3.088 7.904 -6.233 1.00 0.00 O ATOM 74 CB HIS A 5 3.347 10.648 -5.291 1.00 0.00 C ATOM 75 CG HIS A 5 3.690 11.884 -4.506 1.00 0.00 C ATOM 76 ND1 HIS A 5 2.723 12.618 -3.852 1.00 0.00 N ATOM 77 CD2 HIS A 5 4.891 12.501 -4.287 1.00 0.00 C ATOM 78 CE1 HIS A 5 3.356 13.644 -3.262 1.00 0.00 C ATOM 79 NE2 HIS A 5 4.683 13.614 -3.502 1.00 0.00 N ATOM 0 H HIS A 5 5.601 9.444 -5.425 1.00 0.00 H new ATOM 0 HA HIS A 5 3.393 9.554 -3.433 1.00 0.00 H new ATOM 0 HB2 HIS A 5 3.893 10.640 -6.234 1.00 0.00 H new ATOM 0 HB3 HIS A 5 2.285 10.643 -5.537 1.00 0.00 H new ATOM 0 HD1 HIS A 5 1.723 12.420 -3.822 1.00 0.00 H new ATOM 0 HD2 HIS A 5 5.846 12.170 -4.667 1.00 0.00 H new ATOM 0 HE1 HIS A 5 2.864 14.400 -2.668 1.00 0.00 H new ATOM 87 N LEU A 6 2.276 7.462 -4.247 1.00 0.00 N ATOM 88 CA LEU A 6 1.566 6.251 -4.747 1.00 0.00 C ATOM 89 C LEU A 6 0.056 6.412 -4.565 1.00 0.00 C ATOM 90 O LEU A 6 -0.414 6.852 -3.537 1.00 0.00 O ATOM 91 CB LEU A 6 2.051 5.046 -3.952 1.00 0.00 C ATOM 92 CG LEU A 6 2.676 4.029 -4.885 1.00 0.00 C ATOM 93 CD1 LEU A 6 3.685 4.733 -5.791 1.00 0.00 C ATOM 94 CD2 LEU A 6 3.390 2.976 -4.044 1.00 0.00 C ATOM 0 H LEU A 6 2.155 7.653 -3.252 1.00 0.00 H new ATOM 0 HA LEU A 6 1.775 6.113 -5.808 1.00 0.00 H new ATOM 0 HB2 LEU A 6 2.779 5.362 -3.204 1.00 0.00 H new ATOM 0 HB3 LEU A 6 1.217 4.595 -3.414 1.00 0.00 H new ATOM 0 HG LEU A 6 1.910 3.556 -5.500 1.00 0.00 H new ATOM 0 HD11 LEU A 6 4.138 4.006 -6.465 1.00 0.00 H new ATOM 0 HD12 LEU A 6 3.177 5.501 -6.374 1.00 0.00 H new ATOM 0 HD13 LEU A 6 4.461 5.195 -5.181 1.00 0.00 H new ATOM 0 HD21 LEU A 6 3.846 2.235 -4.700 1.00 0.00 H new ATOM 0 HD22 LEU A 6 4.163 3.454 -3.443 1.00 0.00 H new ATOM 0 HD23 LEU A 6 2.671 2.486 -3.387 1.00 0.00 H new ATOM 106 N CYS A 7 -0.711 6.053 -5.557 1.00 0.00 N ATOM 107 CA CYS A 7 -2.188 6.191 -5.435 1.00 0.00 C ATOM 108 C CYS A 7 -2.875 4.929 -5.953 1.00 0.00 C ATOM 109 O CYS A 7 -2.783 4.600 -7.118 1.00 0.00 O ATOM 110 CB CYS A 7 -2.650 7.389 -6.261 1.00 0.00 C ATOM 111 SG CYS A 7 -4.226 7.997 -5.618 1.00 0.00 S ATOM 0 H CYS A 7 -0.380 5.672 -6.443 1.00 0.00 H new ATOM 0 HA CYS A 7 -2.449 6.337 -4.387 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -1.901 8.180 -6.224 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -2.759 7.102 -7.307 1.00 0.00 H new ATOM 116 N GLY A 8 -3.569 4.232 -5.094 1.00 0.00 N ATOM 117 CA GLY A 8 -4.285 2.993 -5.518 1.00 0.00 C ATOM 118 C GLY A 8 -3.438 2.197 -6.513 1.00 0.00 C ATOM 119 O GLY A 8 -2.659 1.345 -6.136 1.00 0.00 O ATOM 0 H GLY A 8 -3.672 4.470 -4.107 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -4.506 2.378 -4.646 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -5.240 3.256 -5.973 1.00 0.00 H new ATOM 123 N SER A 9 -3.601 2.464 -7.783 1.00 0.00 N ATOM 124 CA SER A 9 -2.827 1.726 -8.824 1.00 0.00 C ATOM 125 C SER A 9 -1.408 1.436 -8.332 1.00 0.00 C ATOM 126 O SER A 9 -1.055 0.301 -8.091 1.00 0.00 O ATOM 127 CB SER A 9 -2.763 2.566 -10.100 1.00 0.00 C ATOM 128 OG SER A 9 -3.962 2.388 -10.840 1.00 0.00 O ATOM 0 H SER A 9 -4.243 3.168 -8.146 1.00 0.00 H new ATOM 0 HA SER A 9 -3.327 0.779 -9.029 1.00 0.00 H new ATOM 0 HB2 SER A 9 -2.629 3.618 -9.850 1.00 0.00 H new ATOM 0 HB3 SER A 9 -1.904 2.270 -10.701 1.00 0.00 H new ATOM 0 HG SER A 9 -3.925 2.927 -11.658 1.00 0.00 H new ATOM 134 N ASP A 10 -0.585 2.437 -8.178 1.00 0.00 N ATOM 135 CA ASP A 10 0.794 2.164 -7.705 1.00 0.00 C ATOM 136 C ASP A 10 0.725 1.682 -6.260 1.00 0.00 C ATOM 137 O ASP A 10 1.619 1.026 -5.768 1.00 0.00 O ATOM 138 CB ASP A 10 1.642 3.432 -7.806 1.00 0.00 C ATOM 139 CG ASP A 10 2.082 3.635 -9.257 1.00 0.00 C ATOM 140 OD1 ASP A 10 2.270 2.643 -9.942 1.00 0.00 O ATOM 141 OD2 ASP A 10 2.225 4.779 -9.658 1.00 0.00 O ATOM 0 H ASP A 10 -0.806 3.417 -8.357 1.00 0.00 H new ATOM 0 HA ASP A 10 1.257 1.396 -8.325 1.00 0.00 H new ATOM 0 HB2 ASP A 10 1.069 4.294 -7.464 1.00 0.00 H new ATOM 0 HB3 ASP A 10 2.515 3.352 -7.158 1.00 0.00 H new ATOM 146 N LEU A 11 -0.358 1.968 -5.589 1.00 0.00 N ATOM 147 CA LEU A 11 -0.502 1.482 -4.191 1.00 0.00 C ATOM 148 C LEU A 11 -0.557 -0.030 -4.199 1.00 0.00 C ATOM 149 O LEU A 11 0.132 -0.684 -3.449 1.00 0.00 O ATOM 150 CB LEU A 11 -1.790 2.005 -3.560 1.00 0.00 C ATOM 151 CG LEU A 11 -1.470 2.709 -2.242 1.00 0.00 C ATOM 152 CD1 LEU A 11 -1.708 4.205 -2.380 1.00 0.00 C ATOM 153 CD2 LEU A 11 -2.385 2.162 -1.148 1.00 0.00 C ATOM 0 H LEU A 11 -1.142 2.513 -5.947 1.00 0.00 H new ATOM 0 HA LEU A 11 0.349 1.841 -3.613 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -2.285 2.696 -4.242 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -2.481 1.181 -3.384 1.00 0.00 H new ATOM 0 HG LEU A 11 -0.426 2.531 -1.985 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -1.477 4.699 -1.436 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -1.066 4.605 -3.165 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -2.752 4.385 -2.638 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -2.162 2.660 -0.204 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -3.425 2.345 -1.418 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -2.222 1.090 -1.040 1.00 0.00 H new ATOM 165 N VAL A 12 -1.376 -0.595 -5.038 1.00 0.00 N ATOM 166 CA VAL A 12 -1.469 -2.073 -5.065 1.00 0.00 C ATOM 167 C VAL A 12 -0.150 -2.633 -5.560 1.00 0.00 C ATOM 168 O VAL A 12 0.229 -3.718 -5.204 1.00 0.00 O ATOM 169 CB VAL A 12 -2.603 -2.529 -5.983 1.00 0.00 C ATOM 170 CG1 VAL A 12 -3.938 -2.377 -5.259 1.00 0.00 C ATOM 171 CG2 VAL A 12 -2.607 -1.693 -7.263 1.00 0.00 C ATOM 0 H VAL A 12 -1.977 -0.102 -5.698 1.00 0.00 H new ATOM 0 HA VAL A 12 -1.680 -2.438 -4.060 1.00 0.00 H new ATOM 0 HB VAL A 12 -2.453 -3.576 -6.246 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -4.746 -2.702 -5.914 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -3.934 -2.988 -4.356 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -4.088 -1.332 -4.989 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -3.418 -2.024 -7.911 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -2.750 -0.642 -7.011 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -1.656 -1.815 -7.781 1.00 0.00 H new ATOM 181 N GLU A 13 0.561 -1.892 -6.357 1.00 0.00 N ATOM 182 CA GLU A 13 1.879 -2.388 -6.847 1.00 0.00 C ATOM 183 C GLU A 13 2.858 -2.355 -5.676 1.00 0.00 C ATOM 184 O GLU A 13 3.466 -3.347 -5.331 1.00 0.00 O ATOM 185 CB GLU A 13 2.388 -1.485 -7.967 1.00 0.00 C ATOM 186 CG GLU A 13 3.316 -2.282 -8.887 1.00 0.00 C ATOM 187 CD GLU A 13 3.794 -1.385 -10.031 1.00 0.00 C ATOM 188 OE1 GLU A 13 3.544 -0.193 -9.966 1.00 0.00 O ATOM 189 OE2 GLU A 13 4.402 -1.906 -10.950 1.00 0.00 O ATOM 0 H GLU A 13 0.291 -0.967 -6.691 1.00 0.00 H new ATOM 0 HA GLU A 13 1.782 -3.402 -7.235 1.00 0.00 H new ATOM 0 HB2 GLU A 13 1.548 -1.087 -8.537 1.00 0.00 H new ATOM 0 HB3 GLU A 13 2.921 -0.632 -7.547 1.00 0.00 H new ATOM 0 HG2 GLU A 13 4.170 -2.657 -8.323 1.00 0.00 H new ATOM 0 HG3 GLU A 13 2.792 -3.150 -9.286 1.00 0.00 H new ATOM 196 N ALA A 14 2.983 -1.221 -5.037 1.00 0.00 N ATOM 197 CA ALA A 14 3.892 -1.132 -3.862 1.00 0.00 C ATOM 198 C ALA A 14 3.424 -2.164 -2.848 1.00 0.00 C ATOM 199 O ALA A 14 4.190 -2.957 -2.339 1.00 0.00 O ATOM 200 CB ALA A 14 3.802 0.267 -3.251 1.00 0.00 C ATOM 0 H ALA A 14 2.496 -0.358 -5.278 1.00 0.00 H new ATOM 0 HA ALA A 14 4.925 -1.318 -4.155 1.00 0.00 H new ATOM 0 HB1 ALA A 14 4.468 0.332 -2.390 1.00 0.00 H new ATOM 0 HB2 ALA A 14 4.096 1.008 -3.994 1.00 0.00 H new ATOM 0 HB3 ALA A 14 2.778 0.460 -2.932 1.00 0.00 H new ATOM 206 N LEU A 15 2.153 -2.170 -2.584 1.00 0.00 N ATOM 207 CA LEU A 15 1.585 -3.156 -1.637 1.00 0.00 C ATOM 208 C LEU A 15 1.787 -4.546 -2.220 1.00 0.00 C ATOM 209 O LEU A 15 2.103 -5.492 -1.530 1.00 0.00 O ATOM 210 CB LEU A 15 0.098 -2.884 -1.493 1.00 0.00 C ATOM 211 CG LEU A 15 -0.143 -2.076 -0.225 1.00 0.00 C ATOM 212 CD1 LEU A 15 -1.453 -1.327 -0.341 1.00 0.00 C ATOM 213 CD2 LEU A 15 -0.234 -3.017 0.966 1.00 0.00 C ATOM 0 H LEU A 15 1.476 -1.525 -2.990 1.00 0.00 H new ATOM 0 HA LEU A 15 2.070 -3.084 -0.664 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -0.270 -2.338 -2.362 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -0.453 -3.823 -1.450 1.00 0.00 H new ATOM 0 HG LEU A 15 0.680 -1.374 -0.090 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -1.624 -0.749 0.568 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -1.412 -0.653 -1.197 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -2.268 -2.038 -0.477 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -0.406 -2.439 1.874 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -1.059 -3.714 0.817 1.00 0.00 H new ATOM 0 HD23 LEU A 15 0.698 -3.574 1.062 1.00 0.00 H new ATOM 225 N TYR A 16 1.627 -4.654 -3.504 1.00 0.00 N ATOM 226 CA TYR A 16 1.821 -5.958 -4.190 1.00 0.00 C ATOM 227 C TYR A 16 3.272 -6.376 -3.988 1.00 0.00 C ATOM 228 O TYR A 16 3.633 -7.531 -4.102 1.00 0.00 O ATOM 229 CB TYR A 16 1.521 -5.755 -5.675 1.00 0.00 C ATOM 230 CG TYR A 16 2.191 -6.803 -6.509 1.00 0.00 C ATOM 231 CD1 TYR A 16 1.622 -8.072 -6.629 1.00 0.00 C ATOM 232 CD2 TYR A 16 3.378 -6.493 -7.176 1.00 0.00 C ATOM 233 CE1 TYR A 16 2.247 -9.043 -7.420 1.00 0.00 C ATOM 234 CE2 TYR A 16 4.007 -7.459 -7.968 1.00 0.00 C ATOM 235 CZ TYR A 16 3.441 -8.737 -8.093 1.00 0.00 C ATOM 236 OH TYR A 16 4.058 -9.692 -8.874 1.00 0.00 O ATOM 0 H TYR A 16 1.366 -3.883 -4.118 1.00 0.00 H new ATOM 0 HA TYR A 16 1.163 -6.732 -3.793 1.00 0.00 H new ATOM 0 HB2 TYR A 16 0.444 -5.789 -5.839 1.00 0.00 H new ATOM 0 HB3 TYR A 16 1.860 -4.767 -5.986 1.00 0.00 H new ATOM 0 HD1 TYR A 16 0.702 -8.304 -6.113 1.00 0.00 H new ATOM 0 HD2 TYR A 16 3.810 -5.508 -7.080 1.00 0.00 H new ATOM 0 HE1 TYR A 16 1.811 -10.027 -7.513 1.00 0.00 H new ATOM 0 HE2 TYR A 16 4.927 -7.222 -8.482 1.00 0.00 H new ATOM 0 HH TYR A 16 4.872 -9.316 -9.269 1.00 0.00 H new ATOM 246 N LEU A 17 4.095 -5.423 -3.675 1.00 0.00 N ATOM 247 CA LEU A 17 5.529 -5.693 -3.439 1.00 0.00 C ATOM 248 C LEU A 17 5.719 -6.059 -1.973 1.00 0.00 C ATOM 249 O LEU A 17 6.110 -7.157 -1.630 1.00 0.00 O ATOM 250 CB LEU A 17 6.294 -4.409 -3.747 1.00 0.00 C ATOM 251 CG LEU A 17 7.275 -4.624 -4.899 1.00 0.00 C ATOM 252 CD1 LEU A 17 6.637 -5.489 -5.991 1.00 0.00 C ATOM 253 CD2 LEU A 17 7.641 -3.263 -5.491 1.00 0.00 C ATOM 0 H LEU A 17 3.825 -4.445 -3.571 1.00 0.00 H new ATOM 0 HA LEU A 17 5.888 -6.510 -4.065 1.00 0.00 H new ATOM 0 HB2 LEU A 17 5.593 -3.615 -4.004 1.00 0.00 H new ATOM 0 HB3 LEU A 17 6.835 -4.081 -2.859 1.00 0.00 H new ATOM 0 HG LEU A 17 8.164 -5.130 -4.523 1.00 0.00 H new ATOM 0 HD11 LEU A 17 7.349 -5.632 -6.804 1.00 0.00 H new ATOM 0 HD12 LEU A 17 6.363 -6.458 -5.574 1.00 0.00 H new ATOM 0 HD13 LEU A 17 5.745 -4.993 -6.373 1.00 0.00 H new ATOM 0 HD21 LEU A 17 8.341 -3.401 -6.315 1.00 0.00 H new ATOM 0 HD22 LEU A 17 6.740 -2.772 -5.859 1.00 0.00 H new ATOM 0 HD23 LEU A 17 8.103 -2.644 -4.722 1.00 0.00 H new ATOM 265 N VAL A 18 5.433 -5.133 -1.115 1.00 0.00 N ATOM 266 CA VAL A 18 5.578 -5.392 0.353 1.00 0.00 C ATOM 267 C VAL A 18 4.899 -6.711 0.691 1.00 0.00 C ATOM 268 O VAL A 18 5.312 -7.428 1.581 1.00 0.00 O ATOM 269 CB VAL A 18 4.923 -4.279 1.191 1.00 0.00 C ATOM 270 CG1 VAL A 18 6.001 -3.522 1.950 1.00 0.00 C ATOM 271 CG2 VAL A 18 4.159 -3.301 0.303 1.00 0.00 C ATOM 0 H VAL A 18 5.102 -4.199 -1.358 1.00 0.00 H new ATOM 0 HA VAL A 18 6.642 -5.424 0.588 1.00 0.00 H new ATOM 0 HB VAL A 18 4.221 -4.740 1.886 1.00 0.00 H new ATOM 0 HG11 VAL A 18 5.541 -2.733 2.545 1.00 0.00 H new ATOM 0 HG12 VAL A 18 6.533 -4.209 2.608 1.00 0.00 H new ATOM 0 HG13 VAL A 18 6.703 -3.081 1.242 1.00 0.00 H new ATOM 0 HG21 VAL A 18 3.707 -2.526 0.921 1.00 0.00 H new ATOM 0 HG22 VAL A 18 4.846 -2.843 -0.409 1.00 0.00 H new ATOM 0 HG23 VAL A 18 3.378 -3.835 -0.238 1.00 0.00 H new ATOM 281 N CYS A 19 3.856 -7.034 -0.012 1.00 0.00 N ATOM 282 CA CYS A 19 3.141 -8.306 0.266 1.00 0.00 C ATOM 283 C CYS A 19 3.742 -9.414 -0.589 1.00 0.00 C ATOM 284 O CYS A 19 4.454 -10.277 -0.113 1.00 0.00 O ATOM 285 CB CYS A 19 1.656 -8.149 -0.076 1.00 0.00 C ATOM 286 SG CYS A 19 0.682 -8.243 1.438 1.00 0.00 S ATOM 0 H CYS A 19 3.466 -6.472 -0.769 1.00 0.00 H new ATOM 0 HA CYS A 19 3.243 -8.557 1.322 1.00 0.00 H new ATOM 0 HB2 CYS A 19 1.485 -7.194 -0.573 1.00 0.00 H new ATOM 0 HB3 CYS A 19 1.346 -8.930 -0.770 1.00 0.00 H new ATOM 291 N GLY A 20 3.458 -9.380 -1.853 1.00 0.00 N ATOM 292 CA GLY A 20 3.999 -10.412 -2.783 1.00 0.00 C ATOM 293 C GLY A 20 3.935 -11.801 -2.136 1.00 0.00 C ATOM 294 O GLY A 20 4.695 -12.682 -2.483 1.00 0.00 O ATOM 0 H GLY A 20 2.867 -8.674 -2.293 1.00 0.00 H new ATOM 0 HA2 GLY A 20 3.428 -10.410 -3.711 1.00 0.00 H new ATOM 0 HA3 GLY A 20 5.030 -10.172 -3.043 1.00 0.00 H new ATOM 298 N GLU A 21 3.032 -12.008 -1.211 1.00 0.00 N ATOM 299 CA GLU A 21 2.931 -13.349 -0.560 1.00 0.00 C ATOM 300 C GLU A 21 2.148 -13.239 0.749 1.00 0.00 C ATOM 301 O GLU A 21 1.451 -14.151 1.145 1.00 0.00 O ATOM 302 CB GLU A 21 4.332 -13.890 -0.268 1.00 0.00 C ATOM 303 CG GLU A 21 4.635 -15.058 -1.210 1.00 0.00 C ATOM 304 CD GLU A 21 5.497 -16.091 -0.483 1.00 0.00 C ATOM 305 OE1 GLU A 21 4.935 -16.906 0.231 1.00 0.00 O ATOM 306 OE2 GLU A 21 6.704 -16.052 -0.654 1.00 0.00 O ATOM 0 H GLU A 21 2.364 -11.311 -0.880 1.00 0.00 H new ATOM 0 HA GLU A 21 2.411 -14.029 -1.235 1.00 0.00 H new ATOM 0 HB2 GLU A 21 5.073 -13.101 -0.400 1.00 0.00 H new ATOM 0 HB3 GLU A 21 4.398 -14.219 0.769 1.00 0.00 H new ATOM 0 HG2 GLU A 21 3.706 -15.517 -1.547 1.00 0.00 H new ATOM 0 HG3 GLU A 21 5.153 -14.697 -2.098 1.00 0.00 H new ATOM 313 N ARG A 22 2.261 -12.132 1.421 1.00 0.00 N ATOM 314 CA ARG A 22 1.525 -11.964 2.708 1.00 0.00 C ATOM 315 C ARG A 22 0.031 -11.808 2.427 1.00 0.00 C ATOM 316 O ARG A 22 -0.778 -11.738 3.333 1.00 0.00 O ATOM 317 CB ARG A 22 2.033 -10.715 3.431 1.00 0.00 C ATOM 318 CG ARG A 22 3.443 -10.973 3.967 1.00 0.00 C ATOM 319 CD ARG A 22 3.487 -10.649 5.462 1.00 0.00 C ATOM 320 NE ARG A 22 2.275 -11.204 6.126 1.00 0.00 N ATOM 321 CZ ARG A 22 2.221 -12.470 6.438 1.00 0.00 C ATOM 322 NH1 ARG A 22 3.253 -13.049 6.988 1.00 0.00 N ATOM 323 NH2 ARG A 22 1.137 -13.158 6.200 1.00 0.00 N ATOM 0 H ARG A 22 2.830 -11.334 1.138 1.00 0.00 H new ATOM 0 HA ARG A 22 1.691 -12.842 3.333 1.00 0.00 H new ATOM 0 HB2 ARG A 22 2.042 -9.865 2.748 1.00 0.00 H new ATOM 0 HB3 ARG A 22 1.362 -10.458 4.251 1.00 0.00 H new ATOM 0 HG2 ARG A 22 3.722 -12.014 3.801 1.00 0.00 H new ATOM 0 HG3 ARG A 22 4.166 -10.359 3.429 1.00 0.00 H new ATOM 0 HD2 ARG A 22 4.386 -11.072 5.910 1.00 0.00 H new ATOM 0 HD3 ARG A 22 3.534 -9.570 5.610 1.00 0.00 H new ATOM 0 HE ARG A 22 1.486 -10.593 6.337 1.00 0.00 H new ATOM 0 HH11 ARG A 22 4.100 -12.512 7.173 1.00 0.00 H new ATOM 0 HH12 ARG A 22 3.212 -14.038 7.232 1.00 0.00 H new ATOM 0 HH21 ARG A 22 0.330 -12.706 5.769 1.00 0.00 H new ATOM 0 HH22 ARG A 22 1.097 -14.147 6.445 1.00 0.00 H new ATOM 337 N GLY A 23 -0.345 -11.744 1.180 1.00 0.00 N ATOM 338 CA GLY A 23 -1.788 -11.583 0.849 1.00 0.00 C ATOM 339 C GLY A 23 -2.271 -10.227 1.363 1.00 0.00 C ATOM 340 O GLY A 23 -2.699 -10.097 2.493 1.00 0.00 O ATOM 0 H GLY A 23 0.283 -11.796 0.378 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -1.936 -11.651 -0.229 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -2.370 -12.386 1.302 1.00 0.00 H new ATOM 344 N PHE A 24 -2.200 -9.213 0.549 1.00 0.00 N ATOM 345 CA PHE A 24 -2.650 -7.869 1.001 1.00 0.00 C ATOM 346 C PHE A 24 -4.142 -7.701 0.720 1.00 0.00 C ATOM 347 O PHE A 24 -4.786 -8.553 0.141 1.00 0.00 O ATOM 348 CB PHE A 24 -1.871 -6.779 0.247 1.00 0.00 C ATOM 349 CG PHE A 24 -2.701 -6.250 -0.901 1.00 0.00 C ATOM 350 CD1 PHE A 24 -3.133 -7.115 -1.915 1.00 0.00 C ATOM 351 CD2 PHE A 24 -3.060 -4.899 -0.931 1.00 0.00 C ATOM 352 CE1 PHE A 24 -3.921 -6.621 -2.964 1.00 0.00 C ATOM 353 CE2 PHE A 24 -3.850 -4.407 -1.975 1.00 0.00 C ATOM 354 CZ PHE A 24 -4.279 -5.267 -2.993 1.00 0.00 C ATOM 0 H PHE A 24 -1.850 -9.256 -0.408 1.00 0.00 H new ATOM 0 HA PHE A 24 -2.467 -7.777 2.071 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -1.616 -5.966 0.927 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -0.932 -7.186 -0.129 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -2.860 -8.160 -1.889 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -2.727 -4.235 -0.147 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -4.252 -7.284 -3.750 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -4.129 -3.364 -1.996 1.00 0.00 H new ATOM 0 HZ PHE A 24 -4.886 -4.886 -3.801 1.00 0.00 H new ATOM 364 N PHE A 25 -4.673 -6.580 1.103 1.00 0.00 N ATOM 365 CA PHE A 25 -6.104 -6.300 0.839 1.00 0.00 C ATOM 366 C PHE A 25 -6.346 -4.813 1.007 1.00 0.00 C ATOM 367 O PHE A 25 -5.616 -4.128 1.696 1.00 0.00 O ATOM 368 CB PHE A 25 -6.972 -7.043 1.837 1.00 0.00 C ATOM 369 CG PHE A 25 -6.637 -6.543 3.214 1.00 0.00 C ATOM 370 CD1 PHE A 25 -5.488 -7.013 3.854 1.00 0.00 C ATOM 371 CD2 PHE A 25 -7.463 -5.605 3.844 1.00 0.00 C ATOM 372 CE1 PHE A 25 -5.159 -6.549 5.133 1.00 0.00 C ATOM 373 CE2 PHE A 25 -7.135 -5.138 5.124 1.00 0.00 C ATOM 374 CZ PHE A 25 -5.983 -5.611 5.770 1.00 0.00 C ATOM 0 H PHE A 25 -4.172 -5.839 1.592 1.00 0.00 H new ATOM 0 HA PHE A 25 -6.354 -6.623 -0.172 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -8.027 -6.879 1.619 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -6.796 -8.117 1.769 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -4.853 -7.735 3.362 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -8.350 -5.242 3.346 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -4.271 -6.913 5.628 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -7.769 -4.414 5.613 1.00 0.00 H new ATOM 0 HZ PHE A 25 -5.731 -5.253 6.757 1.00 0.00 H new ATOM 384 N TYR A 26 -7.385 -4.311 0.427 1.00 0.00 N ATOM 385 CA TYR A 26 -7.694 -2.879 0.603 1.00 0.00 C ATOM 386 C TYR A 26 -8.615 -2.773 1.819 1.00 0.00 C ATOM 387 O TYR A 26 -9.720 -3.280 1.813 1.00 0.00 O ATOM 388 CB TYR A 26 -8.412 -2.367 -0.639 1.00 0.00 C ATOM 389 CG TYR A 26 -7.665 -1.195 -1.249 1.00 0.00 C ATOM 390 CD1 TYR A 26 -6.902 -0.333 -0.442 1.00 0.00 C ATOM 391 CD2 TYR A 26 -7.750 -0.963 -2.630 1.00 0.00 C ATOM 392 CE1 TYR A 26 -6.231 0.756 -1.020 1.00 0.00 C ATOM 393 CE2 TYR A 26 -7.076 0.124 -3.204 1.00 0.00 C ATOM 394 CZ TYR A 26 -6.319 0.981 -2.398 1.00 0.00 C ATOM 395 OH TYR A 26 -5.659 2.054 -2.962 1.00 0.00 O ATOM 0 H TYR A 26 -8.035 -4.830 -0.163 1.00 0.00 H new ATOM 0 HA TYR A 26 -6.790 -2.288 0.749 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -8.499 -3.170 -1.371 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -9.426 -2.062 -0.379 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -6.832 -0.508 0.621 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -8.336 -1.623 -3.252 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -5.647 1.420 -0.401 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -7.141 0.300 -4.268 1.00 0.00 H new ATOM 0 HH TYR A 26 -6.279 2.558 -3.529 1.00 0.00 H new ATOM 405 N THR A 27 -8.169 -2.157 2.875 1.00 0.00 N ATOM 406 CA THR A 27 -9.022 -2.070 4.095 1.00 0.00 C ATOM 407 C THR A 27 -10.082 -0.989 3.923 1.00 0.00 C ATOM 408 O THR A 27 -10.331 -0.521 2.830 1.00 0.00 O ATOM 409 CB THR A 27 -8.148 -1.715 5.288 1.00 0.00 C ATOM 410 OG1 THR A 27 -8.955 -1.599 6.452 1.00 0.00 O ATOM 411 CG2 THR A 27 -7.456 -0.388 5.004 1.00 0.00 C ATOM 0 H THR A 27 -7.255 -1.711 2.949 1.00 0.00 H new ATOM 0 HA THR A 27 -9.512 -3.031 4.254 1.00 0.00 H new ATOM 0 HB THR A 27 -7.403 -2.494 5.452 1.00 0.00 H new ATOM 0 HG1 THR A 27 -9.517 -2.397 6.541 1.00 0.00 H new ATOM 0 HG21 THR A 27 -6.825 -0.118 5.851 1.00 0.00 H new ATOM 0 HG22 THR A 27 -6.842 -0.482 4.109 1.00 0.00 H new ATOM 0 HG23 THR A 27 -8.206 0.388 4.849 1.00 0.00 H new ATOM 419 N ASP A 28 -10.709 -0.600 5.007 1.00 0.00 N ATOM 420 CA ASP A 28 -11.773 0.446 4.942 1.00 0.00 C ATOM 421 C ASP A 28 -12.553 0.290 3.639 1.00 0.00 C ATOM 422 O ASP A 28 -12.490 1.134 2.770 1.00 0.00 O ATOM 423 CB ASP A 28 -11.134 1.836 5.002 1.00 0.00 C ATOM 424 CG ASP A 28 -10.381 1.998 6.325 1.00 0.00 C ATOM 425 OD1 ASP A 28 -10.555 1.155 7.189 1.00 0.00 O ATOM 426 OD2 ASP A 28 -9.643 2.960 6.448 1.00 0.00 O ATOM 0 H ASP A 28 -10.526 -0.967 5.941 1.00 0.00 H new ATOM 0 HA ASP A 28 -12.452 0.331 5.787 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -10.450 1.969 4.164 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -11.902 2.605 4.912 1.00 0.00 H new ATOM 431 N PRO A 29 -13.248 -0.807 3.538 1.00 0.00 N ATOM 432 CA PRO A 29 -14.038 -1.131 2.344 1.00 0.00 C ATOM 433 C PRO A 29 -15.333 -0.313 2.318 1.00 0.00 C ATOM 434 O PRO A 29 -16.409 -0.831 2.543 1.00 0.00 O ATOM 435 CB PRO A 29 -14.334 -2.625 2.503 1.00 0.00 C ATOM 436 CG PRO A 29 -14.192 -2.936 4.014 1.00 0.00 C ATOM 437 CD PRO A 29 -13.316 -1.823 4.609 1.00 0.00 C ATOM 0 HA PRO A 29 -13.520 -0.902 1.412 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -15.337 -2.863 2.149 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -13.639 -3.224 1.915 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -15.168 -2.962 4.498 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -13.734 -3.913 4.167 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -13.755 -1.414 5.519 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -12.325 -2.193 4.871 1.00 0.00 H new ATOM 445 N THR A 30 -15.238 0.958 2.044 1.00 0.00 N ATOM 446 CA THR A 30 -16.462 1.805 2.004 1.00 0.00 C ATOM 447 C THR A 30 -16.413 2.714 0.780 1.00 0.00 C ATOM 448 O THR A 30 -17.049 2.464 -0.224 1.00 0.00 O ATOM 449 CB THR A 30 -16.533 2.658 3.273 1.00 0.00 C ATOM 450 OG1 THR A 30 -15.247 3.191 3.554 1.00 0.00 O ATOM 451 CG2 THR A 30 -16.997 1.794 4.445 1.00 0.00 C ATOM 0 H THR A 30 -14.365 1.447 1.846 1.00 0.00 H new ATOM 0 HA THR A 30 -17.344 1.167 1.946 1.00 0.00 H new ATOM 0 HB THR A 30 -17.241 3.474 3.125 1.00 0.00 H new ATOM 0 HG1 THR A 30 -15.290 3.739 4.365 1.00 0.00 H new ATOM 0 HG21 THR A 30 -17.047 2.402 5.348 1.00 0.00 H new ATOM 0 HG22 THR A 30 -17.984 1.385 4.227 1.00 0.00 H new ATOM 0 HG23 THR A 30 -16.291 0.977 4.597 1.00 0.00 H new ATOM 459 N GLY A 31 -15.657 3.768 0.859 1.00 0.00 N ATOM 460 CA GLY A 31 -15.554 4.706 -0.296 1.00 0.00 C ATOM 461 C GLY A 31 -15.197 6.105 0.207 1.00 0.00 C ATOM 462 O GLY A 31 -15.232 6.377 1.391 1.00 0.00 O ATOM 0 H GLY A 31 -15.102 4.025 1.676 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -14.795 4.356 -0.995 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -16.499 4.734 -0.839 1.00 0.00 H new ATOM 466 N GLY A 32 -14.854 6.997 -0.683 1.00 0.00 N ATOM 467 CA GLY A 32 -14.496 8.379 -0.257 1.00 0.00 C ATOM 468 C GLY A 32 -13.213 8.344 0.577 1.00 0.00 C ATOM 469 O GLY A 32 -13.233 8.571 1.770 1.00 0.00 O ATOM 0 H GLY A 32 -14.806 6.827 -1.688 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -14.356 9.015 -1.131 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -15.309 8.813 0.326 1.00 0.00 H new ATOM 473 N GLY A 33 -12.100 8.057 -0.042 1.00 0.00 N ATOM 474 CA GLY A 33 -10.815 8.003 0.714 1.00 0.00 C ATOM 475 C GLY A 33 -11.033 7.288 2.050 1.00 0.00 C ATOM 476 O GLY A 33 -10.795 7.853 3.098 1.00 0.00 O ATOM 0 H GLY A 33 -12.025 7.857 -1.039 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -10.059 7.479 0.129 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -10.441 9.012 0.887 1.00 0.00 H new ATOM 480 N PRO A 34 -11.473 6.059 1.970 1.00 0.00 N ATOM 481 CA PRO A 34 -11.737 5.237 3.164 1.00 0.00 C ATOM 482 C PRO A 34 -10.412 4.759 3.742 1.00 0.00 C ATOM 483 O PRO A 34 -10.156 4.863 4.925 1.00 0.00 O ATOM 484 CB PRO A 34 -12.576 4.078 2.627 1.00 0.00 C ATOM 485 CG PRO A 34 -12.283 3.993 1.109 1.00 0.00 C ATOM 486 CD PRO A 34 -11.728 5.370 0.689 1.00 0.00 C ATOM 0 HA PRO A 34 -12.251 5.765 3.967 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -12.314 3.145 3.126 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -13.637 4.250 2.809 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -11.562 3.204 0.897 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -13.189 3.754 0.552 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -10.816 5.270 0.101 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -12.443 5.919 0.076 1.00 0.00 H new ATOM 494 N ARG A 35 -9.553 4.285 2.896 1.00 0.00 N ATOM 495 CA ARG A 35 -8.210 3.849 3.359 1.00 0.00 C ATOM 496 C ARG A 35 -7.269 5.034 3.160 1.00 0.00 C ATOM 497 O ARG A 35 -6.070 4.885 3.030 1.00 0.00 O ATOM 498 CB ARG A 35 -7.714 2.668 2.517 1.00 0.00 C ATOM 499 CG ARG A 35 -8.864 1.700 2.238 1.00 0.00 C ATOM 500 CD ARG A 35 -8.846 1.308 0.760 1.00 0.00 C ATOM 501 NE ARG A 35 -9.983 1.964 0.056 1.00 0.00 N ATOM 502 CZ ARG A 35 -10.969 1.245 -0.405 1.00 0.00 C ATOM 503 NH1 ARG A 35 -12.001 0.990 0.353 1.00 0.00 N ATOM 504 NH2 ARG A 35 -10.925 0.785 -1.624 1.00 0.00 N ATOM 0 H ARG A 35 -9.721 4.179 1.896 1.00 0.00 H new ATOM 0 HA ARG A 35 -8.248 3.534 4.402 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -7.298 3.031 1.577 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -6.911 2.149 3.041 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -8.767 0.812 2.863 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -9.816 2.166 2.491 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -7.902 1.608 0.305 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -8.919 0.225 0.659 1.00 0.00 H new ATOM 0 HE ARG A 35 -9.991 2.977 -0.066 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -12.036 1.353 1.306 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -12.772 0.428 -0.007 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -10.120 0.987 -2.217 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -11.696 0.223 -1.985 1.00 0.00 H new ATOM 518 N ARG A 36 -7.826 6.215 3.103 1.00 0.00 N ATOM 519 CA ARG A 36 -7.004 7.427 2.875 1.00 0.00 C ATOM 520 C ARG A 36 -5.688 7.357 3.640 1.00 0.00 C ATOM 521 O ARG A 36 -4.712 7.946 3.226 1.00 0.00 O ATOM 522 CB ARG A 36 -7.784 8.668 3.285 1.00 0.00 C ATOM 523 CG ARG A 36 -8.551 8.407 4.587 1.00 0.00 C ATOM 524 CD ARG A 36 -7.758 8.973 5.767 1.00 0.00 C ATOM 525 NE ARG A 36 -8.435 10.199 6.274 1.00 0.00 N ATOM 526 CZ ARG A 36 -7.891 10.897 7.233 1.00 0.00 C ATOM 527 NH1 ARG A 36 -6.603 11.107 7.235 1.00 0.00 N ATOM 528 NH2 ARG A 36 -8.634 11.381 8.190 1.00 0.00 N ATOM 0 H ARG A 36 -8.826 6.387 3.206 1.00 0.00 H new ATOM 0 HA ARG A 36 -6.770 7.483 1.812 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -7.102 9.507 3.419 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -8.480 8.946 2.494 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -9.536 8.871 4.541 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -8.709 7.337 4.721 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -7.685 8.230 6.561 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -6.740 9.208 5.456 1.00 0.00 H new ATOM 0 HE ARG A 36 -9.325 10.493 5.871 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -6.023 10.726 6.488 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -6.176 11.652 7.984 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -9.640 11.214 8.189 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -8.209 11.927 8.940 1.00 0.00 H new ATOM 542 N GLY A 37 -5.614 6.627 4.715 1.00 0.00 N ATOM 543 CA GLY A 37 -4.306 6.529 5.425 1.00 0.00 C ATOM 544 C GLY A 37 -3.264 6.252 4.349 1.00 0.00 C ATOM 545 O GLY A 37 -2.205 6.848 4.302 1.00 0.00 O ATOM 0 H GLY A 37 -6.385 6.102 5.129 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -4.081 7.453 5.957 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -4.323 5.730 6.166 1.00 0.00 H new ATOM 549 N ILE A 38 -3.614 5.380 3.445 1.00 0.00 N ATOM 550 CA ILE A 38 -2.730 5.064 2.303 1.00 0.00 C ATOM 551 C ILE A 38 -3.146 5.935 1.121 1.00 0.00 C ATOM 552 O ILE A 38 -2.385 6.714 0.581 1.00 0.00 O ATOM 553 CB ILE A 38 -2.885 3.600 1.880 1.00 0.00 C ATOM 554 CG1 ILE A 38 -3.493 2.733 2.993 1.00 0.00 C ATOM 555 CG2 ILE A 38 -1.515 3.060 1.519 1.00 0.00 C ATOM 556 CD1 ILE A 38 -4.682 1.960 2.426 1.00 0.00 C ATOM 0 H ILE A 38 -4.495 4.866 3.455 1.00 0.00 H new ATOM 0 HA ILE A 38 -1.697 5.246 2.599 1.00 0.00 H new ATOM 0 HB ILE A 38 -3.565 3.561 1.029 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -2.746 2.042 3.383 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -3.813 3.359 3.826 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -1.604 2.017 1.215 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -1.099 3.644 0.698 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -0.856 3.131 2.385 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -5.121 1.341 3.209 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -5.430 2.662 2.057 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -4.346 1.324 1.607 1.00 0.00 H new ATOM 568 N VAL A 39 -4.368 5.753 0.712 1.00 0.00 N ATOM 569 CA VAL A 39 -4.933 6.489 -0.453 1.00 0.00 C ATOM 570 C VAL A 39 -4.773 7.996 -0.311 1.00 0.00 C ATOM 571 O VAL A 39 -4.651 8.698 -1.287 1.00 0.00 O ATOM 572 CB VAL A 39 -6.415 6.144 -0.576 1.00 0.00 C ATOM 573 CG1 VAL A 39 -7.086 7.088 -1.571 1.00 0.00 C ATOM 574 CG2 VAL A 39 -6.547 4.708 -1.073 1.00 0.00 C ATOM 0 H VAL A 39 -5.020 5.103 1.151 1.00 0.00 H new ATOM 0 HA VAL A 39 -4.387 6.186 -1.346 1.00 0.00 H new ATOM 0 HB VAL A 39 -6.897 6.249 0.396 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -8.143 6.837 -1.655 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -6.984 8.116 -1.223 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -6.611 6.986 -2.547 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -7.602 4.450 -1.165 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -6.065 4.614 -2.046 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -6.069 4.032 -0.364 1.00 0.00 H new ATOM 584 N GLU A 40 -4.781 8.507 0.873 1.00 0.00 N ATOM 585 CA GLU A 40 -4.629 9.977 1.025 1.00 0.00 C ATOM 586 C GLU A 40 -3.166 10.309 1.262 1.00 0.00 C ATOM 587 O GLU A 40 -2.743 11.441 1.145 1.00 0.00 O ATOM 588 CB GLU A 40 -5.471 10.494 2.190 1.00 0.00 C ATOM 589 CG GLU A 40 -5.105 11.952 2.471 1.00 0.00 C ATOM 590 CD GLU A 40 -6.325 12.690 3.022 1.00 0.00 C ATOM 591 OE1 GLU A 40 -6.706 12.405 4.146 1.00 0.00 O ATOM 592 OE2 GLU A 40 -6.859 13.526 2.312 1.00 0.00 O ATOM 0 H GLU A 40 -4.885 7.982 1.741 1.00 0.00 H new ATOM 0 HA GLU A 40 -4.975 10.461 0.112 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -6.531 10.413 1.951 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -5.297 9.886 3.078 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -4.284 12.000 3.187 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -4.759 12.433 1.556 1.00 0.00 H new ATOM 599 N GLN A 41 -2.393 9.329 1.619 1.00 0.00 N ATOM 600 CA GLN A 41 -0.964 9.582 1.891 1.00 0.00 C ATOM 601 C GLN A 41 -0.146 9.410 0.613 1.00 0.00 C ATOM 602 O GLN A 41 0.020 10.334 -0.157 1.00 0.00 O ATOM 603 CB GLN A 41 -0.490 8.601 2.966 1.00 0.00 C ATOM 604 CG GLN A 41 1.026 8.717 3.138 1.00 0.00 C ATOM 605 CD GLN A 41 1.339 9.387 4.476 1.00 0.00 C ATOM 606 OE1 GLN A 41 1.061 8.839 5.524 1.00 0.00 O ATOM 607 NE2 GLN A 41 1.909 10.562 4.486 1.00 0.00 N ATOM 0 H GLN A 41 -2.693 8.361 1.734 1.00 0.00 H new ATOM 0 HA GLN A 41 -0.829 10.605 2.243 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -0.990 8.813 3.911 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -0.757 7.582 2.685 1.00 0.00 H new ATOM 0 HG2 GLN A 41 1.484 7.728 3.099 1.00 0.00 H new ATOM 0 HG3 GLN A 41 1.452 9.298 2.320 1.00 0.00 H new ATOM 0 HE21 GLN A 41 2.143 11.023 3.607 1.00 0.00 H new ATOM 0 HE22 GLN A 41 2.120 11.019 5.373 1.00 0.00 H new ATOM 616 N CYS A 42 0.371 8.239 0.383 1.00 0.00 N ATOM 617 CA CYS A 42 1.184 8.010 -0.843 1.00 0.00 C ATOM 618 C CYS A 42 0.515 8.686 -2.044 1.00 0.00 C ATOM 619 O CYS A 42 1.182 9.156 -2.943 1.00 0.00 O ATOM 620 CB CYS A 42 1.332 6.508 -1.084 1.00 0.00 C ATOM 621 SG CYS A 42 3.090 6.084 -0.965 1.00 0.00 S ATOM 0 H CYS A 42 0.266 7.427 0.992 1.00 0.00 H new ATOM 0 HA CYS A 42 2.175 8.444 -0.711 1.00 0.00 H new ATOM 0 HB2 CYS A 42 0.755 5.947 -0.349 1.00 0.00 H new ATOM 0 HB3 CYS A 42 0.942 6.241 -2.066 1.00 0.00 H new ATOM 626 N CYS A 43 -0.792 8.756 -2.076 1.00 0.00 N ATOM 627 CA CYS A 43 -1.456 9.415 -3.237 1.00 0.00 C ATOM 628 C CYS A 43 -1.173 10.917 -3.213 1.00 0.00 C ATOM 629 O CYS A 43 -0.662 11.480 -4.161 1.00 0.00 O ATOM 630 CB CYS A 43 -2.964 9.205 -3.156 1.00 0.00 C ATOM 631 SG CYS A 43 -3.737 9.728 -4.705 1.00 0.00 S ATOM 0 H CYS A 43 -1.419 8.391 -1.359 1.00 0.00 H new ATOM 0 HA CYS A 43 -1.067 8.978 -4.157 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -3.185 8.155 -2.965 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -3.376 9.774 -2.323 1.00 0.00 H new ATOM 636 N HIS A 44 -1.518 11.572 -2.139 1.00 0.00 N ATOM 637 CA HIS A 44 -1.289 13.040 -2.053 1.00 0.00 C ATOM 638 C HIS A 44 0.150 13.314 -1.619 1.00 0.00 C ATOM 639 O HIS A 44 0.842 14.120 -2.206 1.00 0.00 O ATOM 640 CB HIS A 44 -2.258 13.640 -1.036 1.00 0.00 C ATOM 641 CG HIS A 44 -3.656 13.222 -1.391 1.00 0.00 C ATOM 642 ND1 HIS A 44 -4.250 11.992 -1.391 1.00 0.00 N flip ATOM 643 CD2 HIS A 44 -4.598 14.137 -1.812 1.00 0.00 C flip ATOM 644 CE1 HIS A 44 -5.556 12.130 -1.812 1.00 0.00 C flip ATOM 645 NE2 HIS A 44 -5.720 13.447 -2.056 1.00 0.00 N flip ATOM 0 H HIS A 44 -1.950 11.152 -1.316 1.00 0.00 H new ATOM 0 HA HIS A 44 -1.457 13.494 -3.030 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -2.007 13.301 -0.031 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -2.178 14.727 -1.035 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -4.458 15.202 -1.923 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -6.293 11.348 -1.923 1.00 0.00 H new ATOM 0 HE2 HIS A 44 -6.590 13.865 -2.385 1.00 0.00 H new ATOM 653 N SER A 45 0.603 12.650 -0.593 1.00 0.00 N ATOM 654 CA SER A 45 1.996 12.869 -0.119 1.00 0.00 C ATOM 655 C SER A 45 2.855 11.658 -0.513 1.00 0.00 C ATOM 656 O SER A 45 3.003 11.356 -1.679 1.00 0.00 O ATOM 657 CB SER A 45 1.985 13.050 1.399 1.00 0.00 C ATOM 658 OG SER A 45 3.273 13.460 1.835 1.00 0.00 O ATOM 0 H SER A 45 0.067 11.964 -0.062 1.00 0.00 H new ATOM 0 HA SER A 45 2.417 13.764 -0.577 1.00 0.00 H new ATOM 0 HB2 SER A 45 1.240 13.793 1.682 1.00 0.00 H new ATOM 0 HB3 SER A 45 1.705 12.116 1.886 1.00 0.00 H new ATOM 0 HG SER A 45 3.267 13.578 2.808 1.00 0.00 H new ATOM 664 N ILE A 46 3.421 10.958 0.436 1.00 0.00 N ATOM 665 CA ILE A 46 4.256 9.777 0.083 1.00 0.00 C ATOM 666 C ILE A 46 4.196 8.764 1.228 1.00 0.00 C ATOM 667 O ILE A 46 3.782 9.075 2.326 1.00 0.00 O ATOM 668 CB ILE A 46 5.721 10.224 -0.125 1.00 0.00 C ATOM 669 CG1 ILE A 46 5.905 10.864 -1.509 1.00 0.00 C ATOM 670 CG2 ILE A 46 6.661 9.022 -0.007 1.00 0.00 C ATOM 671 CD1 ILE A 46 5.742 12.377 -1.391 1.00 0.00 C ATOM 0 H ILE A 46 3.341 11.153 1.434 1.00 0.00 H new ATOM 0 HA ILE A 46 3.881 9.324 -0.835 1.00 0.00 H new ATOM 0 HB ILE A 46 5.960 10.958 0.644 1.00 0.00 H new ATOM 0 HG12 ILE A 46 6.891 10.623 -1.906 1.00 0.00 H new ATOM 0 HG13 ILE A 46 5.173 10.461 -2.209 1.00 0.00 H new ATOM 0 HG21 ILE A 46 7.690 9.349 -0.155 1.00 0.00 H new ATOM 0 HG22 ILE A 46 6.561 8.577 0.983 1.00 0.00 H new ATOM 0 HG23 ILE A 46 6.403 8.282 -0.765 1.00 0.00 H new ATOM 0 HD11 ILE A 46 5.872 12.835 -2.372 1.00 0.00 H new ATOM 0 HD12 ILE A 46 4.746 12.607 -1.012 1.00 0.00 H new ATOM 0 HD13 ILE A 46 6.491 12.771 -0.705 1.00 0.00 H new ATOM 683 N CYS A 47 4.624 7.558 0.979 1.00 0.00 N ATOM 684 CA CYS A 47 4.611 6.526 2.058 1.00 0.00 C ATOM 685 C CYS A 47 5.802 5.586 1.863 1.00 0.00 C ATOM 686 O CYS A 47 6.711 5.878 1.111 1.00 0.00 O ATOM 687 CB CYS A 47 3.295 5.738 2.027 1.00 0.00 C ATOM 688 SG CYS A 47 3.205 4.731 0.527 1.00 0.00 S ATOM 0 H CYS A 47 4.982 7.241 0.078 1.00 0.00 H new ATOM 0 HA CYS A 47 4.690 7.014 3.030 1.00 0.00 H new ATOM 0 HB2 CYS A 47 3.224 5.099 2.907 1.00 0.00 H new ATOM 0 HB3 CYS A 47 2.450 6.426 2.063 1.00 0.00 H new ATOM 693 N SER A 48 5.824 4.469 2.536 1.00 0.00 N ATOM 694 CA SER A 48 6.984 3.543 2.375 1.00 0.00 C ATOM 695 C SER A 48 6.584 2.114 2.738 1.00 0.00 C ATOM 696 O SER A 48 5.649 1.885 3.476 1.00 0.00 O ATOM 697 CB SER A 48 8.124 4.001 3.285 1.00 0.00 C ATOM 698 OG SER A 48 8.818 5.075 2.663 1.00 0.00 O ATOM 0 H SER A 48 5.099 4.158 3.183 1.00 0.00 H new ATOM 0 HA SER A 48 7.308 3.560 1.334 1.00 0.00 H new ATOM 0 HB2 SER A 48 7.729 4.318 4.250 1.00 0.00 H new ATOM 0 HB3 SER A 48 8.807 3.173 3.476 1.00 0.00 H new ATOM 0 HG SER A 48 8.274 5.436 1.932 1.00 0.00 H new ATOM 704 N LEU A 49 7.299 1.154 2.218 1.00 0.00 N ATOM 705 CA LEU A 49 6.982 -0.270 2.511 1.00 0.00 C ATOM 706 C LEU A 49 6.597 -0.424 3.973 1.00 0.00 C ATOM 707 O LEU A 49 5.734 -1.195 4.321 1.00 0.00 O ATOM 708 CB LEU A 49 8.210 -1.140 2.240 1.00 0.00 C ATOM 709 CG LEU A 49 8.504 -1.229 0.739 1.00 0.00 C ATOM 710 CD1 LEU A 49 7.206 -1.246 -0.071 1.00 0.00 C ATOM 711 CD2 LEU A 49 9.352 -0.031 0.306 1.00 0.00 C ATOM 0 H LEU A 49 8.096 1.298 1.598 1.00 0.00 H new ATOM 0 HA LEU A 49 6.155 -0.581 1.873 1.00 0.00 H new ATOM 0 HB2 LEU A 49 9.074 -0.726 2.759 1.00 0.00 H new ATOM 0 HB3 LEU A 49 8.046 -2.140 2.641 1.00 0.00 H new ATOM 0 HG LEU A 49 9.047 -2.156 0.552 1.00 0.00 H new ATOM 0 HD11 LEU A 49 7.441 -1.310 -1.133 1.00 0.00 H new ATOM 0 HD12 LEU A 49 6.607 -2.109 0.220 1.00 0.00 H new ATOM 0 HD13 LEU A 49 6.644 -0.332 0.122 1.00 0.00 H new ATOM 0 HD21 LEU A 49 9.559 -0.099 -0.762 1.00 0.00 H new ATOM 0 HD22 LEU A 49 8.810 0.892 0.513 1.00 0.00 H new ATOM 0 HD23 LEU A 49 10.292 -0.032 0.858 1.00 0.00 H new ATOM 723 N TYR A 50 7.237 0.304 4.826 1.00 0.00 N ATOM 724 CA TYR A 50 6.908 0.199 6.275 1.00 0.00 C ATOM 725 C TYR A 50 5.431 0.532 6.457 1.00 0.00 C ATOM 726 O TYR A 50 4.695 -0.158 7.135 1.00 0.00 O ATOM 727 CB TYR A 50 7.792 1.165 7.087 1.00 0.00 C ATOM 728 CG TYR A 50 7.150 2.535 7.195 1.00 0.00 C ATOM 729 CD1 TYR A 50 6.054 2.732 8.050 1.00 0.00 C ATOM 730 CD2 TYR A 50 7.654 3.607 6.446 1.00 0.00 C ATOM 731 CE1 TYR A 50 5.467 4.000 8.154 1.00 0.00 C ATOM 732 CE2 TYR A 50 7.064 4.873 6.550 1.00 0.00 C ATOM 733 CZ TYR A 50 5.971 5.069 7.405 1.00 0.00 C ATOM 734 OH TYR A 50 5.392 6.319 7.507 1.00 0.00 O ATOM 0 H TYR A 50 7.974 0.969 4.592 1.00 0.00 H new ATOM 0 HA TYR A 50 7.100 -0.812 6.635 1.00 0.00 H new ATOM 0 HB2 TYR A 50 7.958 0.759 8.085 1.00 0.00 H new ATOM 0 HB3 TYR A 50 8.769 1.255 6.612 1.00 0.00 H new ATOM 0 HD1 TYR A 50 5.664 1.907 8.627 1.00 0.00 H new ATOM 0 HD2 TYR A 50 8.498 3.457 5.788 1.00 0.00 H new ATOM 0 HE1 TYR A 50 4.625 4.152 8.813 1.00 0.00 H new ATOM 0 HE2 TYR A 50 7.451 5.698 5.971 1.00 0.00 H new ATOM 0 HH TYR A 50 5.864 6.947 6.921 1.00 0.00 H new ATOM 744 N GLN A 51 5.003 1.588 5.840 1.00 0.00 N ATOM 745 CA GLN A 51 3.581 2.003 5.938 1.00 0.00 C ATOM 746 C GLN A 51 2.722 1.031 5.118 1.00 0.00 C ATOM 747 O GLN A 51 1.650 0.633 5.532 1.00 0.00 O ATOM 748 CB GLN A 51 3.457 3.434 5.396 1.00 0.00 C ATOM 749 CG GLN A 51 2.036 3.705 4.906 1.00 0.00 C ATOM 750 CD GLN A 51 1.544 5.035 5.477 1.00 0.00 C ATOM 751 OE1 GLN A 51 0.562 5.078 6.191 1.00 0.00 O ATOM 752 NE2 GLN A 51 2.191 6.132 5.193 1.00 0.00 N ATOM 0 H GLN A 51 5.586 2.193 5.262 1.00 0.00 H new ATOM 0 HA GLN A 51 3.237 1.982 6.972 1.00 0.00 H new ATOM 0 HB2 GLN A 51 3.720 4.148 6.177 1.00 0.00 H new ATOM 0 HB3 GLN A 51 4.163 3.581 4.579 1.00 0.00 H new ATOM 0 HG2 GLN A 51 2.015 3.735 3.817 1.00 0.00 H new ATOM 0 HG3 GLN A 51 1.373 2.897 5.215 1.00 0.00 H new ATOM 0 HE21 GLN A 51 3.016 6.097 4.594 1.00 0.00 H new ATOM 0 HE22 GLN A 51 1.872 7.024 5.570 1.00 0.00 H new ATOM 761 N LEU A 52 3.190 0.638 3.964 1.00 0.00 N ATOM 762 CA LEU A 52 2.406 -0.312 3.124 1.00 0.00 C ATOM 763 C LEU A 52 2.536 -1.721 3.704 1.00 0.00 C ATOM 764 O LEU A 52 1.783 -2.614 3.368 1.00 0.00 O ATOM 765 CB LEU A 52 2.950 -0.292 1.693 1.00 0.00 C ATOM 766 CG LEU A 52 2.734 1.093 1.084 1.00 0.00 C ATOM 767 CD1 LEU A 52 4.082 1.789 0.895 1.00 0.00 C ATOM 768 CD2 LEU A 52 2.041 0.951 -0.273 1.00 0.00 C ATOM 0 H LEU A 52 4.082 0.934 3.567 1.00 0.00 H new ATOM 0 HA LEU A 52 1.357 -0.018 3.115 1.00 0.00 H new ATOM 0 HB2 LEU A 52 4.012 -0.539 1.693 1.00 0.00 H new ATOM 0 HB3 LEU A 52 2.446 -1.048 1.091 1.00 0.00 H new ATOM 0 HG LEU A 52 2.111 1.687 1.753 1.00 0.00 H new ATOM 0 HD11 LEU A 52 3.924 2.776 0.461 1.00 0.00 H new ATOM 0 HD12 LEU A 52 4.577 1.892 1.861 1.00 0.00 H new ATOM 0 HD13 LEU A 52 4.708 1.195 0.229 1.00 0.00 H new ATOM 0 HD21 LEU A 52 1.887 1.939 -0.708 1.00 0.00 H new ATOM 0 HD22 LEU A 52 2.664 0.355 -0.939 1.00 0.00 H new ATOM 0 HD23 LEU A 52 1.078 0.459 -0.140 1.00 0.00 H new ATOM 780 N GLU A 53 3.482 -1.924 4.580 1.00 0.00 N ATOM 781 CA GLU A 53 3.659 -3.270 5.189 1.00 0.00 C ATOM 782 C GLU A 53 2.542 -3.494 6.202 1.00 0.00 C ATOM 783 O GLU A 53 2.161 -4.611 6.491 1.00 0.00 O ATOM 784 CB GLU A 53 5.016 -3.346 5.895 1.00 0.00 C ATOM 785 CG GLU A 53 5.234 -4.763 6.428 1.00 0.00 C ATOM 786 CD GLU A 53 6.022 -4.702 7.738 1.00 0.00 C ATOM 787 OE1 GLU A 53 5.776 -3.790 8.511 1.00 0.00 O ATOM 788 OE2 GLU A 53 6.857 -5.567 7.945 1.00 0.00 O ATOM 0 H GLU A 53 4.140 -1.214 4.900 1.00 0.00 H new ATOM 0 HA GLU A 53 3.622 -4.036 4.414 1.00 0.00 H new ATOM 0 HB2 GLU A 53 5.814 -3.080 5.202 1.00 0.00 H new ATOM 0 HB3 GLU A 53 5.053 -2.628 6.714 1.00 0.00 H new ATOM 0 HG2 GLU A 53 4.274 -5.253 6.592 1.00 0.00 H new ATOM 0 HG3 GLU A 53 5.775 -5.360 5.694 1.00 0.00 H new ATOM 795 N ASN A 54 2.012 -2.432 6.734 1.00 0.00 N ATOM 796 CA ASN A 54 0.910 -2.565 7.723 1.00 0.00 C ATOM 797 C ASN A 54 -0.426 -2.550 6.986 1.00 0.00 C ATOM 798 O ASN A 54 -1.461 -2.847 7.548 1.00 0.00 O ATOM 799 CB ASN A 54 0.962 -1.396 8.711 1.00 0.00 C ATOM 800 CG ASN A 54 2.212 -1.520 9.586 1.00 0.00 C ATOM 801 OD1 ASN A 54 2.761 -2.594 9.731 1.00 0.00 O ATOM 802 ND2 ASN A 54 2.688 -0.458 10.178 1.00 0.00 N ATOM 0 H ASN A 54 2.295 -1.474 6.526 1.00 0.00 H new ATOM 0 HA ASN A 54 1.019 -3.502 8.269 1.00 0.00 H new ATOM 0 HB2 ASN A 54 0.976 -0.450 8.170 1.00 0.00 H new ATOM 0 HB3 ASN A 54 0.068 -1.393 9.334 1.00 0.00 H new ATOM 0 HD21 ASN A 54 3.521 -0.530 10.762 1.00 0.00 H new ATOM 0 HD22 ASN A 54 2.227 0.444 10.056 1.00 0.00 H new ATOM 809 N TYR A 55 -0.415 -2.208 5.724 1.00 0.00 N ATOM 810 CA TYR A 55 -1.684 -2.183 4.957 1.00 0.00 C ATOM 811 C TYR A 55 -1.928 -3.581 4.383 1.00 0.00 C ATOM 812 O TYR A 55 -2.929 -3.843 3.746 1.00 0.00 O ATOM 813 CB TYR A 55 -1.549 -1.166 3.821 1.00 0.00 C ATOM 814 CG TYR A 55 -1.662 0.224 4.402 1.00 0.00 C ATOM 815 CD1 TYR A 55 -2.658 0.511 5.342 1.00 0.00 C ATOM 816 CD2 TYR A 55 -0.758 1.223 4.013 1.00 0.00 C ATOM 817 CE1 TYR A 55 -2.756 1.796 5.890 1.00 0.00 C ATOM 818 CE2 TYR A 55 -0.854 2.508 4.562 1.00 0.00 C ATOM 819 CZ TYR A 55 -1.853 2.797 5.499 1.00 0.00 C ATOM 820 OH TYR A 55 -1.949 4.062 6.039 1.00 0.00 O ATOM 0 H TYR A 55 0.418 -1.946 5.197 1.00 0.00 H new ATOM 0 HA TYR A 55 -2.520 -1.900 5.596 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -0.591 -1.288 3.316 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -2.326 -1.328 3.074 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -3.352 -0.259 5.645 1.00 0.00 H new ATOM 0 HD2 TYR A 55 0.013 1.001 3.290 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -3.527 2.017 6.614 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -0.157 3.276 4.262 1.00 0.00 H new ATOM 0 HH TYR A 55 -1.054 4.454 6.115 1.00 0.00 H new ATOM 830 N CYS A 56 -1.004 -4.482 4.610 1.00 0.00 N ATOM 831 CA CYS A 56 -1.152 -5.869 4.089 1.00 0.00 C ATOM 832 C CYS A 56 -1.843 -6.747 5.131 1.00 0.00 C ATOM 833 O CYS A 56 -2.327 -6.271 6.139 1.00 0.00 O ATOM 834 CB CYS A 56 0.236 -6.437 3.799 1.00 0.00 C ATOM 835 SG CYS A 56 0.569 -6.320 2.031 1.00 0.00 S ATOM 0 H CYS A 56 -0.148 -4.311 5.138 1.00 0.00 H new ATOM 0 HA CYS A 56 -1.752 -5.853 3.179 1.00 0.00 H new ATOM 0 HB2 CYS A 56 0.991 -5.887 4.360 1.00 0.00 H new ATOM 0 HB3 CYS A 56 0.292 -7.476 4.123 1.00 0.00 H new ATOM 840 N ASN A 57 -1.879 -8.033 4.902 1.00 0.00 N ATOM 841 CA ASN A 57 -2.527 -8.943 5.888 1.00 0.00 C ATOM 842 C ASN A 57 -1.445 -9.680 6.681 1.00 0.00 C ATOM 843 O ASN A 57 -0.922 -10.655 6.167 1.00 0.00 O ATOM 844 CB ASN A 57 -3.403 -9.963 5.157 1.00 0.00 C ATOM 845 CG ASN A 57 -4.114 -10.847 6.180 1.00 0.00 C ATOM 846 OD1 ASN A 57 -3.684 -11.951 6.452 1.00 0.00 O ATOM 847 ND2 ASN A 57 -5.192 -10.406 6.765 1.00 0.00 N ATOM 848 OXT ASN A 57 -1.156 -9.253 7.786 1.00 0.00 O ATOM 0 H ASN A 57 -1.489 -8.490 4.078 1.00 0.00 H new ATOM 0 HA ASN A 57 -3.148 -8.357 6.566 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -4.134 -9.450 4.533 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -2.792 -10.575 4.494 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -5.674 -10.987 7.451 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -5.553 -9.480 6.537 1.00 0.00 H new TER 855 ASN A 57