USER MOD reduce.3.24.130724 H: found=0, std=0, add=926, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 927 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 Single : A 4 ASN : amide:sc= -2.2! C(o=-2.2!,f=-2.3!) USER MOD Single : A 8 ASN : amide:sc= -0.0037 X(o=-0.0037,f=0) USER MOD Single : A 14 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0205) USER MOD Single : A 15 GLN : amide:sc= -0.0566 X(o=-0.057,f=-0.18) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 24 SER OG : rot 53:sc= 0.506 USER MOD Single : A 25 ASN : amide:sc= 0.143 X(o=0.14,f=0) USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 HIS : no HD1:sc= 0 X(o=0,f=-0.045) USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 THR OG1 : rot 128:sc= 1.12 USER MOD Single : A 38 ASN : amide:sc= -0.0566 X(o=-0.057,f=0) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot -170:sc= -0.628 USER MOD Single : A 49 CYS SG : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 SER OG : rot 54:sc= 0.951 USER MOD Single : A 64 GLN : amide:sc= 0 X(o=0,f=-0.017) USER MOD Single : A 67 ASN : amide:sc= -7.53! C(o=-7.5!,f=-9.9!) USER MOD Single : A 68 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 GLN : amide:sc= -0.178 X(o=-0.18,f=-0.12) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 GLN : amide:sc= 0 X(o=0,f=-0.2) USER MOD Single : A 83 ASN : amide:sc= -2.08! C(o=-2.1!,f=-5.4!) USER MOD Single : A 84 HIS : no HD1:sc= 0.503 K(o=0.5,f=-2.4!) USER MOD Single : A 91 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 95 THR OG1 : rot 180:sc= -1.33 USER MOD Single : A 98 THR OG1 : rot 180:sc= -0.0226 USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 108 THR OG1 : rot 180:sc= 0.124 USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 LYS NZ :NH3+ 170:sc=-0.00963 (180deg=-0.177) USER MOD ----------------------------------------------------------------- ATOM 40 N ASN A 4 -7.283 -12.984 -9.887 1.00 0.00 N ATOM 41 CA ASN A 4 -6.579 -11.798 -9.415 1.00 0.00 C ATOM 42 C ASN A 4 -5.774 -12.113 -8.154 1.00 0.00 C ATOM 43 O ASN A 4 -6.235 -12.859 -7.291 1.00 0.00 O ATOM 44 CB ASN A 4 -7.575 -10.671 -9.132 1.00 0.00 C ATOM 45 CG ASN A 4 -6.975 -9.297 -9.353 1.00 0.00 C ATOM 46 OD1 ASN A 4 -6.895 -8.486 -8.430 1.00 0.00 O ATOM 47 ND2 ASN A 4 -6.550 -9.026 -10.581 1.00 0.00 N ATOM 0 HA ASN A 4 -5.889 -11.476 -10.195 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -8.447 -10.791 -9.775 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -7.925 -10.750 -8.103 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -6.138 -8.116 -10.789 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -6.635 -9.727 -11.317 1.00 0.00 H new ATOM 54 N PRO A 5 -4.557 -11.548 -8.027 1.00 0.00 N ATOM 55 CA PRO A 5 -3.699 -11.780 -6.859 1.00 0.00 C ATOM 56 C PRO A 5 -4.344 -11.297 -5.565 1.00 0.00 C ATOM 57 O PRO A 5 -4.174 -11.908 -4.510 1.00 0.00 O ATOM 58 CB PRO A 5 -2.435 -10.967 -7.164 1.00 0.00 C ATOM 59 CG PRO A 5 -2.851 -9.974 -8.194 1.00 0.00 C ATOM 60 CD PRO A 5 -3.922 -10.645 -9.003 1.00 0.00 C ATOM 0 HA PRO A 5 -3.505 -12.842 -6.705 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -2.059 -10.472 -6.269 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -1.634 -11.607 -7.534 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -3.226 -9.062 -7.729 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -2.008 -9.687 -8.823 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -4.633 -9.925 -9.408 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -3.506 -11.193 -9.849 1.00 0.00 H new ATOM 68 N ALA A 6 -5.084 -10.195 -5.653 1.00 0.00 N ATOM 69 CA ALA A 6 -5.756 -9.630 -4.489 1.00 0.00 C ATOM 70 C ALA A 6 -6.870 -10.550 -4.003 1.00 0.00 C ATOM 71 O ALA A 6 -7.263 -10.503 -2.837 1.00 0.00 O ATOM 72 CB ALA A 6 -6.311 -8.253 -4.817 1.00 0.00 C ATOM 0 H ALA A 6 -5.233 -9.676 -6.519 1.00 0.00 H new ATOM 0 HA ALA A 6 -5.024 -9.532 -3.687 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -6.810 -7.843 -3.939 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -5.495 -7.593 -5.112 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -7.026 -8.334 -5.636 1.00 0.00 H new ATOM 78 N GLU A 7 -7.375 -11.386 -4.905 1.00 0.00 N ATOM 79 CA GLU A 7 -8.444 -12.319 -4.570 1.00 0.00 C ATOM 80 C GLU A 7 -7.876 -13.603 -3.973 1.00 0.00 C ATOM 81 O GLU A 7 -8.395 -14.121 -2.983 1.00 0.00 O ATOM 82 CB GLU A 7 -9.272 -12.645 -5.815 1.00 0.00 C ATOM 83 CG GLU A 7 -10.176 -11.505 -6.259 1.00 0.00 C ATOM 84 CD GLU A 7 -11.004 -11.861 -7.478 1.00 0.00 C ATOM 85 OE1 GLU A 7 -12.009 -12.585 -7.323 1.00 0.00 O ATOM 86 OE2 GLU A 7 -10.648 -11.413 -8.588 1.00 0.00 O ATOM 0 H GLU A 7 -7.060 -11.436 -5.874 1.00 0.00 H new ATOM 0 HA GLU A 7 -9.087 -11.847 -3.827 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -8.598 -12.903 -6.632 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -9.883 -13.525 -5.615 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -10.841 -11.233 -5.439 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -9.567 -10.628 -6.481 1.00 0.00 H new ATOM 93 N ASN A 8 -6.806 -14.107 -4.578 1.00 0.00 N ATOM 94 CA ASN A 8 -6.166 -15.332 -4.109 1.00 0.00 C ATOM 95 C ASN A 8 -5.692 -15.174 -2.669 1.00 0.00 C ATOM 96 O ASN A 8 -5.988 -16.008 -1.813 1.00 0.00 O ATOM 97 CB ASN A 8 -4.986 -15.695 -5.011 1.00 0.00 C ATOM 98 CG ASN A 8 -4.796 -17.193 -5.141 1.00 0.00 C ATOM 99 OD1 ASN A 8 -5.493 -17.855 -5.910 1.00 0.00 O ATOM 100 ND2 ASN A 8 -3.848 -17.735 -4.386 1.00 0.00 N ATOM 0 H ASN A 8 -6.363 -13.686 -5.395 1.00 0.00 H new ATOM 0 HA ASN A 8 -6.901 -16.136 -4.147 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -5.143 -15.264 -6.000 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -4.076 -15.250 -4.610 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -3.673 -18.739 -4.429 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -3.294 -17.147 -3.763 1.00 0.00 H new ATOM 107 N PHE A 9 -4.957 -14.096 -2.412 1.00 0.00 N ATOM 108 CA PHE A 9 -4.438 -13.817 -1.078 1.00 0.00 C ATOM 109 C PHE A 9 -5.573 -13.760 -0.057 1.00 0.00 C ATOM 110 O PHE A 9 -5.488 -14.362 1.015 1.00 0.00 O ATOM 111 CB PHE A 9 -3.656 -12.496 -1.085 1.00 0.00 C ATOM 112 CG PHE A 9 -3.756 -11.713 0.196 1.00 0.00 C ATOM 113 CD1 PHE A 9 -3.018 -12.082 1.309 1.00 0.00 C ATOM 114 CD2 PHE A 9 -4.585 -10.606 0.283 1.00 0.00 C ATOM 115 CE1 PHE A 9 -3.108 -11.363 2.486 1.00 0.00 C ATOM 116 CE2 PHE A 9 -4.679 -9.883 1.456 1.00 0.00 C ATOM 117 CZ PHE A 9 -3.939 -10.262 2.560 1.00 0.00 C ATOM 0 H PHE A 9 -4.707 -13.399 -3.114 1.00 0.00 H new ATOM 0 HA PHE A 9 -3.764 -14.624 -0.791 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -2.606 -12.709 -1.286 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -4.018 -11.877 -1.905 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -2.365 -12.941 1.256 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -5.165 -10.305 -0.577 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -2.529 -11.662 3.347 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -5.330 -9.023 1.510 1.00 0.00 H new ATOM 0 HZ PHE A 9 -4.010 -9.699 3.479 1.00 0.00 H new ATOM 127 N ARG A 10 -6.633 -13.037 -0.402 1.00 0.00 N ATOM 128 CA ARG A 10 -7.785 -12.899 0.480 1.00 0.00 C ATOM 129 C ARG A 10 -8.469 -14.244 0.704 1.00 0.00 C ATOM 130 O ARG A 10 -9.069 -14.478 1.754 1.00 0.00 O ATOM 131 CB ARG A 10 -8.783 -11.899 -0.105 1.00 0.00 C ATOM 132 CG ARG A 10 -8.373 -10.448 0.087 1.00 0.00 C ATOM 133 CD ARG A 10 -9.447 -9.495 -0.414 1.00 0.00 C ATOM 134 NE ARG A 10 -9.104 -8.100 -0.155 1.00 0.00 N ATOM 135 CZ ARG A 10 -10.006 -7.143 0.044 1.00 0.00 C ATOM 136 NH1 ARG A 10 -11.300 -7.430 0.016 1.00 0.00 N ATOM 137 NH2 ARG A 10 -9.613 -5.897 0.274 1.00 0.00 N ATOM 0 H ARG A 10 -6.718 -12.537 -1.287 1.00 0.00 H new ATOM 0 HA ARG A 10 -7.430 -12.530 1.442 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -8.901 -12.097 -1.170 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -9.757 -12.057 0.358 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -8.182 -10.259 1.143 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -7.440 -10.259 -0.445 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -9.590 -9.640 -1.485 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -10.395 -9.731 0.069 1.00 0.00 H new ATOM 0 HE ARG A 10 -8.117 -7.845 -0.125 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -11.606 -8.387 -0.159 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -11.989 -6.694 0.169 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -8.618 -5.672 0.298 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -10.305 -5.164 0.426 1.00 0.00 H new ATOM 151 N VAL A 11 -8.373 -15.124 -0.287 1.00 0.00 N ATOM 152 CA VAL A 11 -8.990 -16.443 -0.201 1.00 0.00 C ATOM 153 C VAL A 11 -8.212 -17.363 0.737 1.00 0.00 C ATOM 154 O VAL A 11 -8.805 -18.082 1.542 1.00 0.00 O ATOM 155 CB VAL A 11 -9.095 -17.107 -1.591 1.00 0.00 C ATOM 156 CG1 VAL A 11 -9.382 -18.597 -1.463 1.00 0.00 C ATOM 157 CG2 VAL A 11 -10.170 -16.426 -2.424 1.00 0.00 C ATOM 0 H VAL A 11 -7.874 -14.948 -1.159 1.00 0.00 H new ATOM 0 HA VAL A 11 -9.993 -16.294 0.199 1.00 0.00 H new ATOM 0 HB VAL A 11 -8.137 -16.990 -2.097 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -9.451 -19.041 -2.456 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -8.576 -19.076 -0.907 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -10.324 -18.742 -0.934 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -10.232 -16.906 -3.401 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -11.131 -16.511 -1.917 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -9.919 -15.373 -2.552 1.00 0.00 H new ATOM 167 N LEU A 12 -6.885 -17.337 0.637 1.00 0.00 N ATOM 168 CA LEU A 12 -6.049 -18.187 1.482 1.00 0.00 C ATOM 169 C LEU A 12 -6.035 -17.692 2.926 1.00 0.00 C ATOM 170 O LEU A 12 -5.830 -18.473 3.854 1.00 0.00 O ATOM 171 CB LEU A 12 -4.617 -18.269 0.938 1.00 0.00 C ATOM 172 CG LEU A 12 -4.073 -16.986 0.310 1.00 0.00 C ATOM 173 CD1 LEU A 12 -3.105 -16.296 1.257 1.00 0.00 C ATOM 174 CD2 LEU A 12 -3.393 -17.290 -1.017 1.00 0.00 C ATOM 0 H LEU A 12 -6.370 -16.744 -0.013 1.00 0.00 H new ATOM 0 HA LEU A 12 -6.483 -19.187 1.467 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -3.955 -18.562 1.752 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -4.576 -19.063 0.192 1.00 0.00 H new ATOM 0 HG LEU A 12 -4.910 -16.313 0.124 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -2.729 -15.385 0.792 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -3.620 -16.044 2.184 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -2.271 -16.963 1.475 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -3.011 -16.366 -1.451 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -2.567 -17.982 -0.852 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -4.113 -17.741 -1.700 1.00 0.00 H new ATOM 186 N VAL A 13 -6.253 -16.393 3.110 1.00 0.00 N ATOM 187 CA VAL A 13 -6.267 -15.808 4.449 1.00 0.00 C ATOM 188 C VAL A 13 -7.688 -15.730 4.998 1.00 0.00 C ATOM 189 O VAL A 13 -7.901 -15.319 6.139 1.00 0.00 O ATOM 190 CB VAL A 13 -5.646 -14.398 4.463 1.00 0.00 C ATOM 191 CG1 VAL A 13 -4.234 -14.427 3.900 1.00 0.00 C ATOM 192 CG2 VAL A 13 -6.517 -13.417 3.691 1.00 0.00 C ATOM 0 H VAL A 13 -6.421 -15.728 2.355 1.00 0.00 H new ATOM 0 HA VAL A 13 -5.667 -16.462 5.082 1.00 0.00 H new ATOM 0 HB VAL A 13 -5.592 -14.060 5.498 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -3.814 -13.421 3.919 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -3.615 -15.090 4.504 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -4.259 -14.790 2.873 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -6.059 -12.428 3.714 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -6.611 -13.749 2.657 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -7.505 -13.370 4.148 1.00 0.00 H new ATOM 202 N LYS A 14 -8.655 -16.127 4.178 1.00 0.00 N ATOM 203 CA LYS A 14 -10.059 -16.093 4.572 1.00 0.00 C ATOM 204 C LYS A 14 -10.339 -17.023 5.751 1.00 0.00 C ATOM 205 O LYS A 14 -11.419 -16.973 6.340 1.00 0.00 O ATOM 206 CB LYS A 14 -10.949 -16.476 3.390 1.00 0.00 C ATOM 207 CG LYS A 14 -12.356 -15.906 3.479 1.00 0.00 C ATOM 208 CD LYS A 14 -13.066 -15.961 2.137 1.00 0.00 C ATOM 209 CE LYS A 14 -14.553 -15.675 2.281 1.00 0.00 C ATOM 210 NZ LYS A 14 -14.806 -14.304 2.804 1.00 0.00 N ATOM 0 H LYS A 14 -8.492 -16.477 3.234 1.00 0.00 H new ATOM 0 HA LYS A 14 -10.286 -15.074 4.886 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -10.483 -16.129 2.468 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -11.009 -17.563 3.328 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -12.930 -16.465 4.218 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -12.310 -14.873 3.825 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -12.619 -15.235 1.458 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -12.925 -16.945 1.690 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -15.040 -15.790 1.313 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -15.000 -16.408 2.952 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -15.828 -14.111 2.792 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -14.452 -14.234 3.779 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -14.315 -13.608 2.206 1.00 0.00 H new ATOM 224 N GLN A 15 -9.372 -17.870 6.097 1.00 0.00 N ATOM 225 CA GLN A 15 -9.553 -18.798 7.211 1.00 0.00 C ATOM 226 C GLN A 15 -8.567 -18.507 8.339 1.00 0.00 C ATOM 227 O GLN A 15 -8.980 -18.378 9.490 1.00 0.00 O ATOM 228 CB GLN A 15 -9.388 -20.250 6.741 1.00 0.00 C ATOM 229 CG GLN A 15 -8.922 -20.396 5.297 1.00 0.00 C ATOM 230 CD GLN A 15 -9.845 -21.270 4.473 1.00 0.00 C ATOM 231 OE1 GLN A 15 -11.068 -21.158 4.560 1.00 0.00 O ATOM 232 NE2 GLN A 15 -9.263 -22.151 3.667 1.00 0.00 N ATOM 0 H GLN A 15 -8.467 -17.933 5.630 1.00 0.00 H new ATOM 0 HA GLN A 15 -10.565 -18.659 7.591 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -8.673 -20.751 7.393 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -10.341 -20.767 6.856 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -8.857 -19.409 4.839 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -7.918 -20.820 5.284 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -8.246 -22.210 3.626 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -9.834 -22.768 3.089 1.00 0.00 H new ATOM 241 N LYS A 16 -7.279 -18.392 7.975 1.00 0.00 N ATOM 242 CA LYS A 16 -6.170 -18.105 8.903 1.00 0.00 C ATOM 243 C LYS A 16 -5.036 -19.085 8.653 1.00 0.00 C ATOM 244 O LYS A 16 -4.049 -19.114 9.388 1.00 0.00 O ATOM 245 CB LYS A 16 -6.579 -18.178 10.382 1.00 0.00 C ATOM 246 CG LYS A 16 -6.796 -19.596 10.892 1.00 0.00 C ATOM 247 CD LYS A 16 -7.761 -19.624 12.067 1.00 0.00 C ATOM 248 CE LYS A 16 -8.581 -20.904 12.084 1.00 0.00 C ATOM 249 NZ LYS A 16 -10.021 -20.646 11.809 1.00 0.00 N ATOM 0 H LYS A 16 -6.972 -18.498 7.008 1.00 0.00 H new ATOM 0 HA LYS A 16 -5.855 -17.080 8.708 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -5.809 -17.699 10.986 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -7.496 -17.607 10.524 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -7.185 -20.218 10.086 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -5.841 -20.025 11.194 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -7.203 -19.535 12.999 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -8.428 -18.764 12.012 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -8.188 -21.597 11.340 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -8.478 -21.388 13.055 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -10.545 -21.544 11.830 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -10.403 -20.005 12.534 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -10.122 -20.208 10.871 1.00 0.00 H new ATOM 263 N LYS A 17 -5.187 -19.889 7.605 1.00 0.00 N ATOM 264 CA LYS A 17 -4.191 -20.886 7.262 1.00 0.00 C ATOM 265 C LYS A 17 -2.893 -20.245 6.781 1.00 0.00 C ATOM 266 O LYS A 17 -1.804 -20.750 7.054 1.00 0.00 O ATOM 267 CB LYS A 17 -4.734 -21.836 6.194 1.00 0.00 C ATOM 268 CG LYS A 17 -5.166 -23.184 6.748 1.00 0.00 C ATOM 269 CD LYS A 17 -5.856 -24.028 5.690 1.00 0.00 C ATOM 270 CE LYS A 17 -6.690 -25.133 6.318 1.00 0.00 C ATOM 271 NZ LYS A 17 -6.907 -26.268 5.379 1.00 0.00 N ATOM 0 H LYS A 17 -5.993 -19.866 6.980 1.00 0.00 H new ATOM 0 HA LYS A 17 -3.969 -21.452 8.167 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -5.584 -21.366 5.698 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -3.968 -21.992 5.434 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -4.295 -23.717 7.129 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -5.841 -23.033 7.591 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -6.494 -23.393 5.075 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -5.109 -24.466 5.028 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -6.193 -25.496 7.217 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -7.654 -24.729 6.628 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -7.480 -27.000 5.846 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -7.404 -25.927 4.531 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -5.989 -26.671 5.103 1.00 0.00 H new ATOM 285 N ALA A 18 -3.015 -19.132 6.066 1.00 0.00 N ATOM 286 CA ALA A 18 -1.847 -18.431 5.545 1.00 0.00 C ATOM 287 C ALA A 18 -1.384 -17.333 6.496 1.00 0.00 C ATOM 288 O ALA A 18 -0.283 -16.804 6.349 1.00 0.00 O ATOM 289 CB ALA A 18 -2.154 -17.848 4.174 1.00 0.00 C ATOM 0 H ALA A 18 -3.908 -18.697 5.834 1.00 0.00 H new ATOM 0 HA ALA A 18 -1.036 -19.154 5.453 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -1.275 -17.327 3.795 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -2.423 -18.652 3.489 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -2.985 -17.147 4.254 1.00 0.00 H new ATOM 295 N SER A 19 -2.219 -17.023 7.489 1.00 0.00 N ATOM 296 CA SER A 19 -1.914 -15.979 8.470 1.00 0.00 C ATOM 297 C SER A 19 -1.529 -14.651 7.811 1.00 0.00 C ATOM 298 O SER A 19 -1.046 -14.614 6.680 1.00 0.00 O ATOM 299 CB SER A 19 -0.786 -16.440 9.393 1.00 0.00 C ATOM 300 OG SER A 19 -0.765 -15.683 10.591 1.00 0.00 O ATOM 0 H SER A 19 -3.117 -17.483 7.636 1.00 0.00 H new ATOM 0 HA SER A 19 -2.823 -15.808 9.047 1.00 0.00 H new ATOM 0 HB2 SER A 19 -0.914 -17.496 9.629 1.00 0.00 H new ATOM 0 HB3 SER A 19 0.171 -16.342 8.880 1.00 0.00 H new ATOM 0 HG SER A 19 -0.036 -15.999 11.165 1.00 0.00 H new ATOM 306 N PHE A 20 -1.765 -13.555 8.526 1.00 0.00 N ATOM 307 CA PHE A 20 -1.421 -12.228 8.025 1.00 0.00 C ATOM 308 C PHE A 20 0.065 -11.943 8.231 1.00 0.00 C ATOM 309 O PHE A 20 0.445 -10.881 8.726 1.00 0.00 O ATOM 310 CB PHE A 20 -2.265 -11.161 8.725 1.00 0.00 C ATOM 311 CG PHE A 20 -2.675 -10.031 7.823 1.00 0.00 C ATOM 312 CD1 PHE A 20 -1.835 -8.948 7.624 1.00 0.00 C ATOM 313 CD2 PHE A 20 -3.899 -10.055 7.174 1.00 0.00 C ATOM 314 CE1 PHE A 20 -2.210 -7.907 6.796 1.00 0.00 C ATOM 315 CE2 PHE A 20 -4.278 -9.018 6.344 1.00 0.00 C ATOM 316 CZ PHE A 20 -3.432 -7.942 6.154 1.00 0.00 C ATOM 0 H PHE A 20 -2.192 -13.559 9.452 1.00 0.00 H new ATOM 0 HA PHE A 20 -1.633 -12.199 6.956 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -3.159 -11.629 9.136 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -1.701 -10.757 9.566 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -0.877 -8.917 8.121 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -4.564 -10.894 7.319 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -1.548 -7.066 6.651 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -5.235 -9.048 5.844 1.00 0.00 H new ATOM 0 HZ PHE A 20 -3.726 -7.130 5.505 1.00 0.00 H new ATOM 326 N GLU A 21 0.902 -12.903 7.844 1.00 0.00 N ATOM 327 CA GLU A 21 2.347 -12.768 7.985 1.00 0.00 C ATOM 328 C GLU A 21 3.054 -13.125 6.683 1.00 0.00 C ATOM 329 O GLU A 21 3.661 -12.269 6.039 1.00 0.00 O ATOM 330 CB GLU A 21 2.857 -13.660 9.118 1.00 0.00 C ATOM 331 CG GLU A 21 3.679 -12.913 10.156 1.00 0.00 C ATOM 332 CD GLU A 21 4.094 -13.796 11.316 1.00 0.00 C ATOM 333 OE1 GLU A 21 4.957 -14.677 11.113 1.00 0.00 O ATOM 334 OE2 GLU A 21 3.558 -13.606 12.428 1.00 0.00 O ATOM 0 H GLU A 21 0.601 -13.785 7.429 1.00 0.00 H new ATOM 0 HA GLU A 21 2.568 -11.728 8.225 1.00 0.00 H new ATOM 0 HB2 GLU A 21 2.006 -14.130 9.610 1.00 0.00 H new ATOM 0 HB3 GLU A 21 3.463 -14.461 8.694 1.00 0.00 H new ATOM 0 HG2 GLU A 21 4.569 -12.501 9.681 1.00 0.00 H new ATOM 0 HG3 GLU A 21 3.101 -12.070 10.534 1.00 0.00 H new ATOM 341 N GLU A 22 2.976 -14.396 6.302 1.00 0.00 N ATOM 342 CA GLU A 22 3.604 -14.867 5.073 1.00 0.00 C ATOM 343 C GLU A 22 2.880 -14.311 3.851 1.00 0.00 C ATOM 344 O GLU A 22 3.510 -13.911 2.871 1.00 0.00 O ATOM 345 CB GLU A 22 3.606 -16.396 5.029 1.00 0.00 C ATOM 346 CG GLU A 22 4.791 -17.023 5.743 1.00 0.00 C ATOM 347 CD GLU A 22 4.690 -16.912 7.251 1.00 0.00 C ATOM 348 OE1 GLU A 22 4.038 -17.782 7.867 1.00 0.00 O ATOM 349 OE2 GLU A 22 5.262 -15.956 7.816 1.00 0.00 O ATOM 0 H GLU A 22 2.484 -15.119 6.827 1.00 0.00 H new ATOM 0 HA GLU A 22 4.634 -14.511 5.058 1.00 0.00 H new ATOM 0 HB2 GLU A 22 2.684 -16.765 5.479 1.00 0.00 H new ATOM 0 HB3 GLU A 22 3.606 -16.721 3.989 1.00 0.00 H new ATOM 0 HG2 GLU A 22 4.863 -18.074 5.464 1.00 0.00 H new ATOM 0 HG3 GLU A 22 5.709 -16.540 5.408 1.00 0.00 H new ATOM 356 N ALA A 23 1.552 -14.287 3.920 1.00 0.00 N ATOM 357 CA ALA A 23 0.739 -13.778 2.822 1.00 0.00 C ATOM 358 C ALA A 23 0.942 -12.278 2.642 1.00 0.00 C ATOM 359 O ALA A 23 0.885 -11.763 1.525 1.00 0.00 O ATOM 360 CB ALA A 23 -0.731 -14.088 3.068 1.00 0.00 C ATOM 0 H ALA A 23 1.017 -14.614 4.725 1.00 0.00 H new ATOM 0 HA ALA A 23 1.055 -14.275 1.905 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -1.327 -13.703 2.241 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -0.868 -15.167 3.142 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -1.052 -13.617 3.997 1.00 0.00 H new ATOM 366 N SER A 24 1.181 -11.583 3.749 1.00 0.00 N ATOM 367 CA SER A 24 1.396 -10.142 3.716 1.00 0.00 C ATOM 368 C SER A 24 2.774 -9.815 3.150 1.00 0.00 C ATOM 369 O SER A 24 2.894 -9.076 2.172 1.00 0.00 O ATOM 370 CB SER A 24 1.254 -9.551 5.120 1.00 0.00 C ATOM 371 OG SER A 24 1.692 -10.467 6.108 1.00 0.00 O ATOM 0 H SER A 24 1.231 -11.995 4.681 1.00 0.00 H new ATOM 0 HA SER A 24 0.640 -9.700 3.067 1.00 0.00 H new ATOM 0 HB2 SER A 24 1.834 -8.631 5.191 1.00 0.00 H new ATOM 0 HB3 SER A 24 0.213 -9.286 5.302 1.00 0.00 H new ATOM 0 HG SER A 24 2.600 -10.768 5.895 1.00 0.00 H new ATOM 377 N ASN A 25 3.809 -10.366 3.777 1.00 0.00 N ATOM 378 CA ASN A 25 5.183 -10.143 3.333 1.00 0.00 C ATOM 379 C ASN A 25 5.334 -10.462 1.849 1.00 0.00 C ATOM 380 O ASN A 25 5.955 -9.704 1.101 1.00 0.00 O ATOM 381 CB ASN A 25 6.150 -11.000 4.152 1.00 0.00 C ATOM 382 CG ASN A 25 6.658 -10.282 5.386 1.00 0.00 C ATOM 383 OD1 ASN A 25 7.466 -9.357 5.291 1.00 0.00 O ATOM 384 ND2 ASN A 25 6.187 -10.704 6.553 1.00 0.00 N ATOM 0 H ASN A 25 3.723 -10.970 4.594 1.00 0.00 H new ATOM 0 HA ASN A 25 5.422 -9.091 3.486 1.00 0.00 H new ATOM 0 HB2 ASN A 25 5.650 -11.921 4.451 1.00 0.00 H new ATOM 0 HB3 ASN A 25 6.996 -11.285 3.527 1.00 0.00 H new ATOM 0 HD21 ASN A 25 6.493 -10.258 7.418 1.00 0.00 H new ATOM 0 HD22 ASN A 25 5.519 -11.474 6.585 1.00 0.00 H new ATOM 391 N GLN A 26 4.763 -11.586 1.430 1.00 0.00 N ATOM 392 CA GLN A 26 4.830 -12.001 0.033 1.00 0.00 C ATOM 393 C GLN A 26 4.146 -10.977 -0.864 1.00 0.00 C ATOM 394 O GLN A 26 4.662 -10.622 -1.924 1.00 0.00 O ATOM 395 CB GLN A 26 4.178 -13.374 -0.147 1.00 0.00 C ATOM 396 CG GLN A 26 5.132 -14.536 0.072 1.00 0.00 C ATOM 397 CD GLN A 26 4.497 -15.878 -0.235 1.00 0.00 C ATOM 398 OE1 GLN A 26 3.563 -16.305 0.444 1.00 0.00 O ATOM 399 NE2 GLN A 26 5.002 -16.551 -1.262 1.00 0.00 N ATOM 0 H GLN A 26 4.249 -12.225 2.036 1.00 0.00 H new ATOM 0 HA GLN A 26 5.880 -12.069 -0.253 1.00 0.00 H new ATOM 0 HB2 GLN A 26 3.344 -13.464 0.549 1.00 0.00 H new ATOM 0 HB3 GLN A 26 3.763 -13.440 -1.153 1.00 0.00 H new ATOM 0 HG2 GLN A 26 6.012 -14.402 -0.557 1.00 0.00 H new ATOM 0 HG3 GLN A 26 5.476 -14.529 1.106 1.00 0.00 H new ATOM 0 HE21 GLN A 26 5.777 -16.159 -1.797 1.00 0.00 H new ATOM 0 HE22 GLN A 26 4.615 -17.460 -1.516 1.00 0.00 H new ATOM 408 N LEU A 27 2.978 -10.511 -0.433 1.00 0.00 N ATOM 409 CA LEU A 27 2.223 -9.520 -1.190 1.00 0.00 C ATOM 410 C LEU A 27 3.055 -8.261 -1.410 1.00 0.00 C ATOM 411 O LEU A 27 3.117 -7.733 -2.522 1.00 0.00 O ATOM 412 CB LEU A 27 0.920 -9.170 -0.461 1.00 0.00 C ATOM 413 CG LEU A 27 -0.270 -8.824 -1.362 1.00 0.00 C ATOM 414 CD1 LEU A 27 -0.019 -7.525 -2.114 1.00 0.00 C ATOM 415 CD2 LEU A 27 -0.559 -9.958 -2.336 1.00 0.00 C ATOM 0 H LEU A 27 2.534 -10.804 0.437 1.00 0.00 H new ATOM 0 HA LEU A 27 1.979 -9.948 -2.162 1.00 0.00 H new ATOM 0 HB2 LEU A 27 0.641 -10.013 0.172 1.00 0.00 H new ATOM 0 HB3 LEU A 27 1.110 -8.324 0.200 1.00 0.00 H new ATOM 0 HG LEU A 27 -1.145 -8.688 -0.727 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -0.877 -7.300 -2.747 1.00 0.00 H new ATOM 0 HD12 LEU A 27 0.129 -6.714 -1.401 1.00 0.00 H new ATOM 0 HD13 LEU A 27 0.872 -7.630 -2.734 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -1.408 -9.690 -2.965 1.00 0.00 H new ATOM 0 HD22 LEU A 27 0.316 -10.132 -2.962 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -0.793 -10.865 -1.779 1.00 0.00 H new ATOM 427 N ILE A 28 3.697 -7.782 -0.346 1.00 0.00 N ATOM 428 CA ILE A 28 4.525 -6.585 -0.435 1.00 0.00 C ATOM 429 C ILE A 28 5.730 -6.825 -1.342 1.00 0.00 C ATOM 430 O ILE A 28 6.179 -5.919 -2.046 1.00 0.00 O ATOM 431 CB ILE A 28 4.996 -6.118 0.964 1.00 0.00 C ATOM 432 CG1 ILE A 28 4.845 -4.602 1.092 1.00 0.00 C ATOM 433 CG2 ILE A 28 6.436 -6.536 1.234 1.00 0.00 C ATOM 434 CD1 ILE A 28 3.424 -4.159 1.362 1.00 0.00 C ATOM 0 H ILE A 28 3.659 -8.203 0.582 1.00 0.00 H new ATOM 0 HA ILE A 28 3.911 -5.795 -0.868 1.00 0.00 H new ATOM 0 HB ILE A 28 4.366 -6.601 1.711 1.00 0.00 H new ATOM 0 HG12 ILE A 28 5.487 -4.247 1.898 1.00 0.00 H new ATOM 0 HG13 ILE A 28 5.196 -4.131 0.174 1.00 0.00 H new ATOM 0 HG21 ILE A 28 6.735 -6.192 2.224 1.00 0.00 H new ATOM 0 HG22 ILE A 28 6.514 -7.622 1.188 1.00 0.00 H new ATOM 0 HG23 ILE A 28 7.090 -6.093 0.483 1.00 0.00 H new ATOM 0 HD11 ILE A 28 3.390 -3.072 1.441 1.00 0.00 H new ATOM 0 HD12 ILE A 28 2.780 -4.483 0.544 1.00 0.00 H new ATOM 0 HD13 ILE A 28 3.076 -4.602 2.295 1.00 0.00 H new ATOM 446 N ASN A 29 6.248 -8.051 -1.318 1.00 0.00 N ATOM 447 CA ASN A 29 7.390 -8.410 -2.147 1.00 0.00 C ATOM 448 C ASN A 29 7.005 -8.344 -3.617 1.00 0.00 C ATOM 449 O ASN A 29 7.742 -7.804 -4.443 1.00 0.00 O ATOM 450 CB ASN A 29 7.888 -9.813 -1.796 1.00 0.00 C ATOM 451 CG ASN A 29 9.204 -9.789 -1.044 1.00 0.00 C ATOM 452 OD1 ASN A 29 10.240 -10.202 -1.566 1.00 0.00 O ATOM 453 ND2 ASN A 29 9.171 -9.304 0.192 1.00 0.00 N ATOM 0 H ASN A 29 5.894 -8.809 -0.734 1.00 0.00 H new ATOM 0 HA ASN A 29 8.195 -7.700 -1.957 1.00 0.00 H new ATOM 0 HB2 ASN A 29 7.137 -10.321 -1.192 1.00 0.00 H new ATOM 0 HB3 ASN A 29 8.006 -10.393 -2.711 1.00 0.00 H new ATOM 0 HD21 ASN A 29 10.026 -9.263 0.747 1.00 0.00 H new ATOM 0 HD22 ASN A 29 8.291 -8.972 0.586 1.00 0.00 H new ATOM 460 N HIS A 30 5.838 -8.900 -3.933 1.00 0.00 N ATOM 461 CA HIS A 30 5.336 -8.895 -5.300 1.00 0.00 C ATOM 462 C HIS A 30 5.199 -7.461 -5.795 1.00 0.00 C ATOM 463 O HIS A 30 5.584 -7.139 -6.919 1.00 0.00 O ATOM 464 CB HIS A 30 3.986 -9.609 -5.378 1.00 0.00 C ATOM 465 CG HIS A 30 3.916 -10.642 -6.459 1.00 0.00 C ATOM 466 ND1 HIS A 30 4.707 -11.772 -6.472 1.00 0.00 N ATOM 467 CD2 HIS A 30 3.144 -10.713 -7.569 1.00 0.00 C ATOM 468 CE1 HIS A 30 4.423 -12.493 -7.542 1.00 0.00 C ATOM 469 NE2 HIS A 30 3.478 -11.873 -8.224 1.00 0.00 N ATOM 0 H HIS A 30 5.224 -9.359 -3.260 1.00 0.00 H new ATOM 0 HA HIS A 30 6.045 -9.427 -5.935 1.00 0.00 H new ATOM 0 HB2 HIS A 30 3.780 -10.084 -4.419 1.00 0.00 H new ATOM 0 HB3 HIS A 30 3.202 -8.870 -5.542 1.00 0.00 H new ATOM 0 HD2 HIS A 30 2.403 -9.992 -7.881 1.00 0.00 H new ATOM 0 HE1 HIS A 30 4.886 -13.431 -7.813 1.00 0.00 H new ATOM 0 HE2 HIS A 30 3.063 -12.202 -9.096 1.00 0.00 H new ATOM 478 N ILE A 31 4.646 -6.604 -4.941 1.00 0.00 N ATOM 479 CA ILE A 31 4.471 -5.198 -5.280 1.00 0.00 C ATOM 480 C ILE A 31 5.818 -4.563 -5.603 1.00 0.00 C ATOM 481 O ILE A 31 5.975 -3.901 -6.630 1.00 0.00 O ATOM 482 CB ILE A 31 3.804 -4.414 -4.130 1.00 0.00 C ATOM 483 CG1 ILE A 31 2.394 -4.948 -3.868 1.00 0.00 C ATOM 484 CG2 ILE A 31 3.761 -2.928 -4.454 1.00 0.00 C ATOM 485 CD1 ILE A 31 1.794 -4.460 -2.566 1.00 0.00 C ATOM 0 H ILE A 31 4.313 -6.859 -4.011 1.00 0.00 H new ATOM 0 HA ILE A 31 3.819 -5.152 -6.153 1.00 0.00 H new ATOM 0 HB ILE A 31 4.398 -4.551 -3.227 1.00 0.00 H new ATOM 0 HG12 ILE A 31 1.744 -4.653 -4.691 1.00 0.00 H new ATOM 0 HG13 ILE A 31 2.423 -6.038 -3.859 1.00 0.00 H new ATOM 0 HG21 ILE A 31 3.288 -2.390 -3.633 1.00 0.00 H new ATOM 0 HG22 ILE A 31 4.776 -2.557 -4.594 1.00 0.00 H new ATOM 0 HG23 ILE A 31 3.188 -2.771 -5.368 1.00 0.00 H new ATOM 0 HD11 ILE A 31 0.795 -4.878 -2.447 1.00 0.00 H new ATOM 0 HD12 ILE A 31 2.422 -4.778 -1.734 1.00 0.00 H new ATOM 0 HD13 ILE A 31 1.733 -3.372 -2.579 1.00 0.00 H new ATOM 497 N GLU A 32 6.786 -4.768 -4.712 1.00 0.00 N ATOM 498 CA GLU A 32 8.128 -4.225 -4.902 1.00 0.00 C ATOM 499 C GLU A 32 8.693 -4.643 -6.255 1.00 0.00 C ATOM 500 O GLU A 32 9.258 -3.825 -6.981 1.00 0.00 O ATOM 501 CB GLU A 32 9.056 -4.698 -3.781 1.00 0.00 C ATOM 502 CG GLU A 32 8.897 -3.912 -2.489 1.00 0.00 C ATOM 503 CD GLU A 32 9.913 -4.311 -1.437 1.00 0.00 C ATOM 504 OE1 GLU A 32 11.044 -3.783 -1.474 1.00 0.00 O ATOM 505 OE2 GLU A 32 9.576 -5.152 -0.577 1.00 0.00 O ATOM 0 H GLU A 32 6.666 -5.305 -3.853 1.00 0.00 H new ATOM 0 HA GLU A 32 8.062 -3.137 -4.874 1.00 0.00 H new ATOM 0 HB2 GLU A 32 8.864 -5.752 -3.582 1.00 0.00 H new ATOM 0 HB3 GLU A 32 10.089 -4.621 -4.119 1.00 0.00 H new ATOM 0 HG2 GLU A 32 8.997 -2.847 -2.701 1.00 0.00 H new ATOM 0 HG3 GLU A 32 7.892 -4.066 -2.096 1.00 0.00 H new ATOM 512 N GLN A 33 8.536 -5.922 -6.586 1.00 0.00 N ATOM 513 CA GLN A 33 9.024 -6.446 -7.856 1.00 0.00 C ATOM 514 C GLN A 33 8.380 -5.700 -9.018 1.00 0.00 C ATOM 515 O GLN A 33 9.056 -5.308 -9.970 1.00 0.00 O ATOM 516 CB GLN A 33 8.728 -7.943 -7.966 1.00 0.00 C ATOM 517 CG GLN A 33 9.676 -8.810 -7.155 1.00 0.00 C ATOM 518 CD GLN A 33 9.297 -10.278 -7.191 1.00 0.00 C ATOM 519 OE1 GLN A 33 9.598 -10.985 -8.153 1.00 0.00 O ATOM 520 NE2 GLN A 33 8.632 -10.744 -6.141 1.00 0.00 N ATOM 0 H GLN A 33 8.076 -6.612 -5.993 1.00 0.00 H new ATOM 0 HA GLN A 33 10.103 -6.299 -7.897 1.00 0.00 H new ATOM 0 HB2 GLN A 33 7.706 -8.128 -7.635 1.00 0.00 H new ATOM 0 HB3 GLN A 33 8.783 -8.240 -9.013 1.00 0.00 H new ATOM 0 HG2 GLN A 33 10.690 -8.691 -7.538 1.00 0.00 H new ATOM 0 HG3 GLN A 33 9.683 -8.465 -6.121 1.00 0.00 H new ATOM 0 HE21 GLN A 33 8.403 -10.122 -5.365 1.00 0.00 H new ATOM 0 HE22 GLN A 33 8.350 -11.724 -6.110 1.00 0.00 H new ATOM 529 N PHE A 34 7.066 -5.520 -8.934 1.00 0.00 N ATOM 530 CA PHE A 34 6.321 -4.808 -9.966 1.00 0.00 C ATOM 531 C PHE A 34 6.905 -3.417 -10.191 1.00 0.00 C ATOM 532 O PHE A 34 6.877 -2.894 -11.306 1.00 0.00 O ATOM 533 CB PHE A 34 4.845 -4.699 -9.576 1.00 0.00 C ATOM 534 CG PHE A 34 4.006 -5.849 -10.060 1.00 0.00 C ATOM 535 CD1 PHE A 34 4.375 -7.157 -9.793 1.00 0.00 C ATOM 536 CD2 PHE A 34 2.848 -5.617 -10.785 1.00 0.00 C ATOM 537 CE1 PHE A 34 3.604 -8.214 -10.238 1.00 0.00 C ATOM 538 CE2 PHE A 34 2.073 -6.671 -11.233 1.00 0.00 C ATOM 539 CZ PHE A 34 2.452 -7.970 -10.959 1.00 0.00 C ATOM 0 H PHE A 34 6.494 -5.858 -8.160 1.00 0.00 H new ATOM 0 HA PHE A 34 6.402 -5.372 -10.895 1.00 0.00 H new ATOM 0 HB2 PHE A 34 4.769 -4.637 -8.490 1.00 0.00 H new ATOM 0 HB3 PHE A 34 4.440 -3.770 -9.978 1.00 0.00 H new ATOM 0 HD1 PHE A 34 5.276 -7.353 -9.230 1.00 0.00 H new ATOM 0 HD2 PHE A 34 2.548 -4.603 -11.002 1.00 0.00 H new ATOM 0 HE1 PHE A 34 3.902 -9.229 -10.022 1.00 0.00 H new ATOM 0 HE2 PHE A 34 1.172 -6.478 -11.797 1.00 0.00 H new ATOM 0 HZ PHE A 34 1.848 -8.794 -11.308 1.00 0.00 H new ATOM 549 N LEU A 35 7.435 -2.822 -9.126 1.00 0.00 N ATOM 550 CA LEU A 35 8.030 -1.492 -9.209 1.00 0.00 C ATOM 551 C LEU A 35 9.442 -1.564 -9.783 1.00 0.00 C ATOM 552 O LEU A 35 9.985 -0.565 -10.253 1.00 0.00 O ATOM 553 CB LEU A 35 8.062 -0.836 -7.826 1.00 0.00 C ATOM 554 CG LEU A 35 6.692 -0.605 -7.188 1.00 0.00 C ATOM 555 CD1 LEU A 35 6.750 -0.867 -5.691 1.00 0.00 C ATOM 556 CD2 LEU A 35 6.209 0.811 -7.465 1.00 0.00 C ATOM 0 H LEU A 35 7.465 -3.240 -8.196 1.00 0.00 H new ATOM 0 HA LEU A 35 7.415 -0.887 -9.876 1.00 0.00 H new ATOM 0 HB2 LEU A 35 8.656 -1.460 -7.158 1.00 0.00 H new ATOM 0 HB3 LEU A 35 8.575 0.123 -7.907 1.00 0.00 H new ATOM 0 HG LEU A 35 5.982 -1.304 -7.631 1.00 0.00 H new ATOM 0 HD11 LEU A 35 5.766 -0.698 -5.254 1.00 0.00 H new ATOM 0 HD12 LEU A 35 7.053 -1.899 -5.514 1.00 0.00 H new ATOM 0 HD13 LEU A 35 7.472 -0.193 -5.231 1.00 0.00 H new ATOM 0 HD21 LEU A 35 5.232 0.959 -7.004 1.00 0.00 H new ATOM 0 HD22 LEU A 35 6.919 1.526 -7.049 1.00 0.00 H new ATOM 0 HD23 LEU A 35 6.129 0.964 -8.541 1.00 0.00 H new ATOM 568 N ASP A 36 10.027 -2.757 -9.740 1.00 0.00 N ATOM 569 CA ASP A 36 11.376 -2.968 -10.254 1.00 0.00 C ATOM 570 C ASP A 36 11.366 -3.104 -11.773 1.00 0.00 C ATOM 571 O ASP A 36 12.414 -3.264 -12.399 1.00 0.00 O ATOM 572 CB ASP A 36 11.995 -4.217 -9.624 1.00 0.00 C ATOM 573 CG ASP A 36 13.504 -4.250 -9.768 1.00 0.00 C ATOM 574 OD1 ASP A 36 14.194 -3.616 -8.944 1.00 0.00 O ATOM 575 OD2 ASP A 36 13.996 -4.912 -10.707 1.00 0.00 O ATOM 0 H ASP A 36 9.588 -3.593 -9.354 1.00 0.00 H new ATOM 0 HA ASP A 36 11.978 -2.099 -9.989 1.00 0.00 H new ATOM 0 HB2 ASP A 36 11.733 -4.255 -8.567 1.00 0.00 H new ATOM 0 HB3 ASP A 36 11.569 -5.105 -10.090 1.00 0.00 H new ATOM 580 N THR A 37 10.174 -3.040 -12.361 1.00 0.00 N ATOM 581 CA THR A 37 10.023 -3.155 -13.801 1.00 0.00 C ATOM 582 C THR A 37 9.184 -2.008 -14.347 1.00 0.00 C ATOM 583 O THR A 37 8.046 -1.799 -13.927 1.00 0.00 O ATOM 584 CB THR A 37 9.365 -4.491 -14.196 1.00 0.00 C ATOM 585 OG1 THR A 37 8.689 -5.057 -13.067 1.00 0.00 O ATOM 586 CG2 THR A 37 10.405 -5.472 -14.716 1.00 0.00 C ATOM 0 H THR A 37 9.298 -2.908 -11.856 1.00 0.00 H new ATOM 0 HA THR A 37 11.023 -3.116 -14.232 1.00 0.00 H new ATOM 0 HB THR A 37 8.644 -4.296 -14.990 1.00 0.00 H new ATOM 0 HG1 THR A 37 7.768 -5.280 -13.315 1.00 0.00 H new ATOM 0 HG21 THR A 37 9.918 -6.408 -14.989 1.00 0.00 H new ATOM 0 HG22 THR A 37 10.897 -5.050 -15.592 1.00 0.00 H new ATOM 0 HG23 THR A 37 11.146 -5.662 -13.940 1.00 0.00 H new ATOM 594 N ASN A 38 9.758 -1.273 -15.284 1.00 0.00 N ATOM 595 CA ASN A 38 9.075 -0.139 -15.898 1.00 0.00 C ATOM 596 C ASN A 38 7.971 -0.618 -16.834 1.00 0.00 C ATOM 597 O ASN A 38 8.242 -1.254 -17.853 1.00 0.00 O ATOM 598 CB ASN A 38 10.073 0.727 -16.667 1.00 0.00 C ATOM 599 CG ASN A 38 9.644 2.180 -16.736 1.00 0.00 C ATOM 600 OD1 ASN A 38 9.384 2.713 -17.815 1.00 0.00 O ATOM 601 ND2 ASN A 38 9.565 2.829 -15.580 1.00 0.00 N ATOM 0 H ASN A 38 10.699 -1.439 -15.640 1.00 0.00 H new ATOM 0 HA ASN A 38 8.624 0.458 -15.106 1.00 0.00 H new ATOM 0 HB2 ASN A 38 11.050 0.662 -16.189 1.00 0.00 H new ATOM 0 HB3 ASN A 38 10.186 0.336 -17.678 1.00 0.00 H new ATOM 0 HD21 ASN A 38 9.280 3.808 -15.563 1.00 0.00 H new ATOM 0 HD22 ASN A 38 9.790 2.348 -14.709 1.00 0.00 H new ATOM 608 N GLU A 39 6.727 -0.305 -16.483 1.00 0.00 N ATOM 609 CA GLU A 39 5.578 -0.705 -17.287 1.00 0.00 C ATOM 610 C GLU A 39 4.337 0.089 -16.891 1.00 0.00 C ATOM 611 O GLU A 39 4.236 0.578 -15.765 1.00 0.00 O ATOM 612 CB GLU A 39 5.308 -2.203 -17.121 1.00 0.00 C ATOM 613 CG GLU A 39 5.825 -3.049 -18.273 1.00 0.00 C ATOM 614 CD GLU A 39 5.232 -2.643 -19.609 1.00 0.00 C ATOM 615 OE1 GLU A 39 4.107 -3.087 -19.918 1.00 0.00 O ATOM 616 OE2 GLU A 39 5.895 -1.883 -20.345 1.00 0.00 O ATOM 0 H GLU A 39 6.489 0.226 -15.645 1.00 0.00 H new ATOM 0 HA GLU A 39 5.807 -0.496 -18.332 1.00 0.00 H new ATOM 0 HB2 GLU A 39 5.769 -2.546 -16.195 1.00 0.00 H new ATOM 0 HB3 GLU A 39 4.234 -2.360 -17.020 1.00 0.00 H new ATOM 0 HG2 GLU A 39 6.911 -2.965 -18.321 1.00 0.00 H new ATOM 0 HG3 GLU A 39 5.594 -4.097 -18.081 1.00 0.00 H new ATOM 623 N THR A 40 3.397 0.216 -17.822 1.00 0.00 N ATOM 624 CA THR A 40 2.164 0.952 -17.567 1.00 0.00 C ATOM 625 C THR A 40 1.143 0.100 -16.807 1.00 0.00 C ATOM 626 O THR A 40 0.588 0.548 -15.802 1.00 0.00 O ATOM 627 CB THR A 40 1.528 1.465 -18.874 1.00 0.00 C ATOM 628 OG1 THR A 40 2.537 2.020 -19.725 1.00 0.00 O ATOM 629 CG2 THR A 40 0.470 2.518 -18.584 1.00 0.00 C ATOM 0 H THR A 40 3.465 -0.181 -18.759 1.00 0.00 H new ATOM 0 HA THR A 40 2.438 1.807 -16.949 1.00 0.00 H new ATOM 0 HB THR A 40 1.052 0.622 -19.375 1.00 0.00 H new ATOM 0 HG1 THR A 40 2.125 2.342 -20.554 1.00 0.00 H new ATOM 0 HG21 THR A 40 0.035 2.865 -19.521 1.00 0.00 H new ATOM 0 HG22 THR A 40 -0.312 2.086 -17.960 1.00 0.00 H new ATOM 0 HG23 THR A 40 0.927 3.359 -18.063 1.00 0.00 H new ATOM 637 N PRO A 41 0.873 -1.143 -17.266 1.00 0.00 N ATOM 638 CA PRO A 41 -0.090 -2.033 -16.610 1.00 0.00 C ATOM 639 C PRO A 41 0.441 -2.599 -15.298 1.00 0.00 C ATOM 640 O PRO A 41 -0.250 -3.351 -14.611 1.00 0.00 O ATOM 641 CB PRO A 41 -0.305 -3.167 -17.627 1.00 0.00 C ATOM 642 CG PRO A 41 0.389 -2.732 -18.877 1.00 0.00 C ATOM 643 CD PRO A 41 1.467 -1.782 -18.448 1.00 0.00 C ATOM 0 HA PRO A 41 -1.005 -1.503 -16.348 1.00 0.00 H new ATOM 0 HB2 PRO A 41 0.107 -4.106 -17.258 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -1.367 -3.334 -17.807 1.00 0.00 H new ATOM 0 HG2 PRO A 41 0.811 -3.587 -19.405 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -0.308 -2.247 -19.561 1.00 0.00 H new ATOM 0 HD2 PRO A 41 2.394 -2.302 -18.206 1.00 0.00 H new ATOM 0 HD3 PRO A 41 1.703 -1.057 -19.227 1.00 0.00 H new ATOM 651 N TYR A 42 1.673 -2.235 -14.955 1.00 0.00 N ATOM 652 CA TYR A 42 2.295 -2.712 -13.726 1.00 0.00 C ATOM 653 C TYR A 42 1.928 -1.823 -12.542 1.00 0.00 C ATOM 654 O TYR A 42 1.544 -2.315 -11.481 1.00 0.00 O ATOM 655 CB TYR A 42 3.815 -2.772 -13.887 1.00 0.00 C ATOM 656 CG TYR A 42 4.336 -4.153 -14.225 1.00 0.00 C ATOM 657 CD1 TYR A 42 3.901 -4.821 -15.363 1.00 0.00 C ATOM 658 CD2 TYR A 42 5.259 -4.787 -13.404 1.00 0.00 C ATOM 659 CE1 TYR A 42 4.372 -6.083 -15.673 1.00 0.00 C ATOM 660 CE2 TYR A 42 5.736 -6.048 -13.708 1.00 0.00 C ATOM 661 CZ TYR A 42 5.290 -6.691 -14.842 1.00 0.00 C ATOM 662 OH TYR A 42 5.762 -7.947 -15.148 1.00 0.00 O ATOM 0 H TYR A 42 2.259 -1.612 -15.511 1.00 0.00 H new ATOM 0 HA TYR A 42 1.919 -3.716 -13.528 1.00 0.00 H new ATOM 0 HB2 TYR A 42 4.116 -2.077 -14.671 1.00 0.00 H new ATOM 0 HB3 TYR A 42 4.283 -2.432 -12.963 1.00 0.00 H new ATOM 0 HD1 TYR A 42 3.183 -4.347 -16.016 1.00 0.00 H new ATOM 0 HD2 TYR A 42 5.610 -4.287 -12.514 1.00 0.00 H new ATOM 0 HE1 TYR A 42 4.023 -6.590 -16.561 1.00 0.00 H new ATOM 0 HE2 TYR A 42 6.455 -6.527 -13.060 1.00 0.00 H new ATOM 0 HH TYR A 42 6.402 -8.232 -14.463 1.00 0.00 H new ATOM 672 N PHE A 43 2.046 -0.511 -12.729 1.00 0.00 N ATOM 673 CA PHE A 43 1.724 0.442 -11.673 1.00 0.00 C ATOM 674 C PHE A 43 0.256 0.331 -11.276 1.00 0.00 C ATOM 675 O PHE A 43 -0.099 0.506 -10.109 1.00 0.00 O ATOM 676 CB PHE A 43 2.037 1.870 -12.127 1.00 0.00 C ATOM 677 CG PHE A 43 3.472 2.265 -11.918 1.00 0.00 C ATOM 678 CD1 PHE A 43 3.999 2.360 -10.640 1.00 0.00 C ATOM 679 CD2 PHE A 43 4.292 2.541 -13.000 1.00 0.00 C ATOM 680 CE1 PHE A 43 5.318 2.724 -10.445 1.00 0.00 C ATOM 681 CE2 PHE A 43 5.611 2.905 -12.812 1.00 0.00 C ATOM 682 CZ PHE A 43 6.125 2.997 -11.532 1.00 0.00 C ATOM 0 H PHE A 43 2.362 -0.085 -13.600 1.00 0.00 H new ATOM 0 HA PHE A 43 2.338 0.206 -10.804 1.00 0.00 H new ATOM 0 HB2 PHE A 43 1.792 1.968 -13.184 1.00 0.00 H new ATOM 0 HB3 PHE A 43 1.395 2.564 -11.585 1.00 0.00 H new ATOM 0 HD1 PHE A 43 3.372 2.147 -9.787 1.00 0.00 H new ATOM 0 HD2 PHE A 43 3.895 2.471 -14.002 1.00 0.00 H new ATOM 0 HE1 PHE A 43 5.717 2.795 -9.444 1.00 0.00 H new ATOM 0 HE2 PHE A 43 6.240 3.117 -13.664 1.00 0.00 H new ATOM 0 HZ PHE A 43 7.156 3.282 -11.382 1.00 0.00 H new ATOM 692 N MET A 44 -0.594 0.036 -12.255 1.00 0.00 N ATOM 693 CA MET A 44 -2.024 -0.105 -12.008 1.00 0.00 C ATOM 694 C MET A 44 -2.289 -1.302 -11.103 1.00 0.00 C ATOM 695 O MET A 44 -3.227 -1.297 -10.304 1.00 0.00 O ATOM 696 CB MET A 44 -2.780 -0.265 -13.328 1.00 0.00 C ATOM 697 CG MET A 44 -2.861 1.016 -14.141 1.00 0.00 C ATOM 698 SD MET A 44 -3.785 0.808 -15.676 1.00 0.00 S ATOM 699 CE MET A 44 -3.765 2.482 -16.312 1.00 0.00 C ATOM 0 H MET A 44 -0.317 -0.110 -13.226 1.00 0.00 H new ATOM 0 HA MET A 44 -2.379 0.797 -11.510 1.00 0.00 H new ATOM 0 HB2 MET A 44 -2.292 -1.035 -13.926 1.00 0.00 H new ATOM 0 HB3 MET A 44 -3.790 -0.617 -13.118 1.00 0.00 H new ATOM 0 HG2 MET A 44 -3.333 1.794 -13.540 1.00 0.00 H new ATOM 0 HG3 MET A 44 -1.853 1.359 -14.372 1.00 0.00 H new ATOM 0 HE1 MET A 44 -4.299 2.517 -17.262 1.00 0.00 H new ATOM 0 HE2 MET A 44 -4.250 3.148 -15.598 1.00 0.00 H new ATOM 0 HE3 MET A 44 -2.734 2.801 -16.464 1.00 0.00 H new ATOM 709 N LYS A 45 -1.452 -2.326 -11.238 1.00 0.00 N ATOM 710 CA LYS A 45 -1.579 -3.533 -10.432 1.00 0.00 C ATOM 711 C LYS A 45 -1.038 -3.294 -9.026 1.00 0.00 C ATOM 712 O LYS A 45 -1.481 -3.923 -8.063 1.00 0.00 O ATOM 713 CB LYS A 45 -0.832 -4.694 -11.091 1.00 0.00 C ATOM 714 CG LYS A 45 -1.742 -5.819 -11.553 1.00 0.00 C ATOM 715 CD LYS A 45 -1.341 -6.333 -12.926 1.00 0.00 C ATOM 716 CE LYS A 45 -2.533 -6.897 -13.681 1.00 0.00 C ATOM 717 NZ LYS A 45 -2.112 -7.750 -14.827 1.00 0.00 N ATOM 0 H LYS A 45 -0.677 -2.343 -11.900 1.00 0.00 H new ATOM 0 HA LYS A 45 -2.636 -3.790 -10.361 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -0.273 -4.316 -11.947 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -0.104 -5.094 -10.385 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -1.706 -6.636 -10.833 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -2.773 -5.466 -11.583 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -0.894 -5.523 -13.502 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -0.579 -7.105 -12.818 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -3.150 -7.483 -13.000 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -3.152 -6.078 -14.047 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -2.954 -8.115 -15.316 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -1.545 -7.185 -15.490 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -1.543 -8.547 -14.476 1.00 0.00 H new ATOM 731 N SER A 46 -0.083 -2.374 -8.915 1.00 0.00 N ATOM 732 CA SER A 46 0.512 -2.048 -7.626 1.00 0.00 C ATOM 733 C SER A 46 -0.521 -1.387 -6.724 1.00 0.00 C ATOM 734 O SER A 46 -0.709 -1.791 -5.579 1.00 0.00 O ATOM 735 CB SER A 46 1.717 -1.126 -7.812 1.00 0.00 C ATOM 736 OG SER A 46 2.324 -1.329 -9.077 1.00 0.00 O ATOM 0 H SER A 46 0.293 -1.844 -9.701 1.00 0.00 H new ATOM 0 HA SER A 46 0.851 -2.971 -7.156 1.00 0.00 H new ATOM 0 HB2 SER A 46 1.402 -0.087 -7.719 1.00 0.00 H new ATOM 0 HB3 SER A 46 2.445 -1.310 -7.022 1.00 0.00 H new ATOM 0 HG SER A 46 3.177 -0.848 -9.111 1.00 0.00 H new ATOM 742 N ILE A 47 -1.181 -0.358 -7.250 1.00 0.00 N ATOM 743 CA ILE A 47 -2.213 0.347 -6.502 1.00 0.00 C ATOM 744 C ILE A 47 -3.338 -0.608 -6.127 1.00 0.00 C ATOM 745 O ILE A 47 -3.866 -0.561 -5.014 1.00 0.00 O ATOM 746 CB ILE A 47 -2.795 1.523 -7.311 1.00 0.00 C ATOM 747 CG1 ILE A 47 -1.672 2.425 -7.825 1.00 0.00 C ATOM 748 CG2 ILE A 47 -3.774 2.319 -6.462 1.00 0.00 C ATOM 749 CD1 ILE A 47 -1.838 2.832 -9.271 1.00 0.00 C ATOM 0 H ILE A 47 -1.018 0.004 -8.190 1.00 0.00 H new ATOM 0 HA ILE A 47 -1.748 0.744 -5.599 1.00 0.00 H new ATOM 0 HB ILE A 47 -3.333 1.120 -8.169 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -1.625 3.322 -7.207 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -0.720 1.908 -7.709 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -4.176 3.146 -7.048 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -4.590 1.670 -6.143 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -3.259 2.712 -5.585 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -1.006 3.470 -9.567 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -1.854 1.942 -9.900 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -2.774 3.378 -9.390 1.00 0.00 H new ATOM 761 N ASP A 48 -3.703 -1.475 -7.069 1.00 0.00 N ATOM 762 CA ASP A 48 -4.757 -2.454 -6.832 1.00 0.00 C ATOM 763 C ASP A 48 -4.345 -3.396 -5.708 1.00 0.00 C ATOM 764 O ASP A 48 -5.187 -4.027 -5.063 1.00 0.00 O ATOM 765 CB ASP A 48 -5.045 -3.250 -8.107 1.00 0.00 C ATOM 766 CG ASP A 48 -6.276 -2.747 -8.834 1.00 0.00 C ATOM 767 OD1 ASP A 48 -7.391 -3.197 -8.496 1.00 0.00 O ATOM 768 OD2 ASP A 48 -6.126 -1.905 -9.744 1.00 0.00 O ATOM 0 H ASP A 48 -3.286 -1.518 -7.999 1.00 0.00 H new ATOM 0 HA ASP A 48 -5.666 -1.927 -6.541 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -4.183 -3.190 -8.772 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -5.180 -4.301 -7.853 1.00 0.00 H new ATOM 773 N CYS A 49 -3.039 -3.477 -5.481 1.00 0.00 N ATOM 774 CA CYS A 49 -2.491 -4.325 -4.432 1.00 0.00 C ATOM 775 C CYS A 49 -2.469 -3.574 -3.108 1.00 0.00 C ATOM 776 O CYS A 49 -2.886 -4.104 -2.076 1.00 0.00 O ATOM 777 CB CYS A 49 -1.079 -4.788 -4.798 1.00 0.00 C ATOM 778 SG CYS A 49 -1.031 -6.325 -5.749 1.00 0.00 S ATOM 0 H CYS A 49 -2.338 -2.962 -6.013 1.00 0.00 H new ATOM 0 HA CYS A 49 -3.128 -5.204 -4.330 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -0.588 -4.002 -5.372 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -0.503 -4.921 -3.882 1.00 0.00 H new ATOM 0 HG CYS A 49 0.204 -6.634 -6.013 1.00 0.00 H new ATOM 784 N ILE A 50 -1.987 -2.332 -3.142 1.00 0.00 N ATOM 785 CA ILE A 50 -1.922 -1.503 -1.945 1.00 0.00 C ATOM 786 C ILE A 50 -3.326 -1.213 -1.426 1.00 0.00 C ATOM 787 O ILE A 50 -3.514 -0.877 -0.256 1.00 0.00 O ATOM 788 CB ILE A 50 -1.184 -0.170 -2.222 1.00 0.00 C ATOM 789 CG1 ILE A 50 -0.414 0.286 -0.980 1.00 0.00 C ATOM 790 CG2 ILE A 50 -2.158 0.911 -2.674 1.00 0.00 C ATOM 791 CD1 ILE A 50 0.705 1.257 -1.290 1.00 0.00 C ATOM 0 H ILE A 50 -1.637 -1.880 -3.987 1.00 0.00 H new ATOM 0 HA ILE A 50 -1.362 -2.055 -1.190 1.00 0.00 H new ATOM 0 HB ILE A 50 -0.471 -0.341 -3.029 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -1.109 0.754 -0.282 1.00 0.00 H new ATOM 0 HG13 ILE A 50 0.002 -0.588 -0.478 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -1.613 1.836 -2.862 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -2.657 0.592 -3.589 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -2.902 1.079 -1.895 1.00 0.00 H new ATOM 0 HD11 ILE A 50 1.209 1.539 -0.365 1.00 0.00 H new ATOM 0 HD12 ILE A 50 1.420 0.785 -1.963 1.00 0.00 H new ATOM 0 HD13 ILE A 50 0.293 2.147 -1.765 1.00 0.00 H new ATOM 803 N ARG A 51 -4.307 -1.346 -2.313 1.00 0.00 N ATOM 804 CA ARG A 51 -5.699 -1.112 -1.957 1.00 0.00 C ATOM 805 C ARG A 51 -6.255 -2.312 -1.204 1.00 0.00 C ATOM 806 O ARG A 51 -6.785 -2.177 -0.100 1.00 0.00 O ATOM 807 CB ARG A 51 -6.534 -0.846 -3.211 1.00 0.00 C ATOM 808 CG ARG A 51 -6.523 0.609 -3.652 1.00 0.00 C ATOM 809 CD ARG A 51 -7.865 1.277 -3.401 1.00 0.00 C ATOM 810 NE ARG A 51 -7.932 1.893 -2.079 1.00 0.00 N ATOM 811 CZ ARG A 51 -8.672 2.962 -1.799 1.00 0.00 C ATOM 812 NH1 ARG A 51 -9.405 3.531 -2.747 1.00 0.00 N ATOM 813 NH2 ARG A 51 -8.679 3.463 -0.571 1.00 0.00 N ATOM 0 H ARG A 51 -4.161 -1.615 -3.286 1.00 0.00 H new ATOM 0 HA ARG A 51 -5.750 -0.234 -1.312 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -6.160 -1.467 -4.025 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -7.563 -1.153 -3.024 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -5.742 1.147 -3.115 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -6.279 0.667 -4.713 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -8.040 2.036 -4.164 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -8.661 0.539 -3.497 1.00 0.00 H new ATOM 0 HE ARG A 51 -7.380 1.480 -1.327 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -9.402 3.149 -3.693 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -9.972 4.351 -2.530 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -8.116 3.028 0.160 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -9.247 4.283 -0.358 1.00 0.00 H new ATOM 827 N ALA A 52 -6.135 -3.487 -1.813 1.00 0.00 N ATOM 828 CA ALA A 52 -6.612 -4.718 -1.193 1.00 0.00 C ATOM 829 C ALA A 52 -5.886 -4.971 0.124 1.00 0.00 C ATOM 830 O ALA A 52 -6.450 -5.538 1.061 1.00 0.00 O ATOM 831 CB ALA A 52 -6.427 -5.895 -2.139 1.00 0.00 C ATOM 0 H ALA A 52 -5.713 -3.613 -2.733 1.00 0.00 H new ATOM 0 HA ALA A 52 -7.676 -4.608 -0.982 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -6.788 -6.806 -1.661 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -6.991 -5.718 -3.055 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -5.370 -6.006 -2.379 1.00 0.00 H new ATOM 837 N PHE A 53 -4.628 -4.545 0.179 1.00 0.00 N ATOM 838 CA PHE A 53 -3.806 -4.714 1.371 1.00 0.00 C ATOM 839 C PHE A 53 -4.249 -3.763 2.481 1.00 0.00 C ATOM 840 O PHE A 53 -4.545 -4.193 3.596 1.00 0.00 O ATOM 841 CB PHE A 53 -2.335 -4.464 1.028 1.00 0.00 C ATOM 842 CG PHE A 53 -1.364 -5.246 1.872 1.00 0.00 C ATOM 843 CD1 PHE A 53 -1.571 -5.407 3.234 1.00 0.00 C ATOM 844 CD2 PHE A 53 -0.237 -5.812 1.300 1.00 0.00 C ATOM 845 CE1 PHE A 53 -0.675 -6.120 4.006 1.00 0.00 C ATOM 846 CE2 PHE A 53 0.664 -6.524 2.068 1.00 0.00 C ATOM 847 CZ PHE A 53 0.445 -6.679 3.422 1.00 0.00 C ATOM 0 H PHE A 53 -4.154 -4.077 -0.594 1.00 0.00 H new ATOM 0 HA PHE A 53 -3.927 -5.737 1.728 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -2.170 -4.713 -0.020 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -2.123 -3.401 1.140 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -2.443 -4.969 3.696 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -0.060 -5.695 0.241 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -0.850 -6.240 5.065 1.00 0.00 H new ATOM 0 HE2 PHE A 53 1.539 -6.959 1.609 1.00 0.00 H new ATOM 0 HZ PHE A 53 1.148 -7.236 4.024 1.00 0.00 H new ATOM 857 N ARG A 54 -4.287 -2.470 2.170 1.00 0.00 N ATOM 858 CA ARG A 54 -4.691 -1.459 3.142 1.00 0.00 C ATOM 859 C ARG A 54 -6.078 -1.755 3.701 1.00 0.00 C ATOM 860 O ARG A 54 -6.319 -1.615 4.897 1.00 0.00 O ATOM 861 CB ARG A 54 -4.681 -0.070 2.506 1.00 0.00 C ATOM 862 CG ARG A 54 -3.321 0.608 2.534 1.00 0.00 C ATOM 863 CD ARG A 54 -3.425 2.079 2.168 1.00 0.00 C ATOM 864 NE ARG A 54 -2.201 2.577 1.549 1.00 0.00 N ATOM 865 CZ ARG A 54 -1.994 3.854 1.246 1.00 0.00 C ATOM 866 NH1 ARG A 54 -2.927 4.761 1.504 1.00 0.00 N ATOM 867 NH2 ARG A 54 -0.852 4.227 0.683 1.00 0.00 N ATOM 0 H ARG A 54 -4.043 -2.098 1.252 1.00 0.00 H new ATOM 0 HA ARG A 54 -3.973 -1.485 3.962 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -5.014 -0.152 1.471 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -5.402 0.562 3.024 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -2.884 0.509 3.528 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -2.648 0.106 1.839 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -4.262 2.224 1.485 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -3.641 2.661 3.064 1.00 0.00 H new ATOM 0 HE ARG A 54 -1.462 1.907 1.337 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -3.807 4.479 1.936 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -2.765 5.740 1.270 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -0.132 3.533 0.482 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -0.694 5.208 0.451 1.00 0.00 H new ATOM 881 N GLU A 55 -6.988 -2.165 2.830 1.00 0.00 N ATOM 882 CA GLU A 55 -8.350 -2.470 3.241 1.00 0.00 C ATOM 883 C GLU A 55 -8.386 -3.612 4.253 1.00 0.00 C ATOM 884 O GLU A 55 -8.880 -3.451 5.368 1.00 0.00 O ATOM 885 CB GLU A 55 -9.204 -2.826 2.024 1.00 0.00 C ATOM 886 CG GLU A 55 -9.940 -1.637 1.429 1.00 0.00 C ATOM 887 CD GLU A 55 -10.843 -2.029 0.276 1.00 0.00 C ATOM 888 OE1 GLU A 55 -10.343 -2.125 -0.864 1.00 0.00 O ATOM 889 OE2 GLU A 55 -12.051 -2.239 0.514 1.00 0.00 O ATOM 0 H GLU A 55 -6.808 -2.294 1.834 1.00 0.00 H new ATOM 0 HA GLU A 55 -8.758 -1.580 3.720 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -8.565 -3.267 1.259 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -9.931 -3.586 2.310 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -10.536 -1.157 2.206 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -9.214 -0.901 1.083 1.00 0.00 H new ATOM 896 N GLU A 56 -7.840 -4.759 3.865 1.00 0.00 N ATOM 897 CA GLU A 56 -7.838 -5.938 4.728 1.00 0.00 C ATOM 898 C GLU A 56 -6.955 -5.753 5.960 1.00 0.00 C ATOM 899 O GLU A 56 -7.205 -6.358 7.005 1.00 0.00 O ATOM 900 CB GLU A 56 -7.371 -7.164 3.941 1.00 0.00 C ATOM 901 CG GLU A 56 -8.439 -7.744 3.028 1.00 0.00 C ATOM 902 CD GLU A 56 -8.825 -9.159 3.409 1.00 0.00 C ATOM 903 OE1 GLU A 56 -7.920 -10.012 3.521 1.00 0.00 O ATOM 904 OE2 GLU A 56 -10.034 -9.415 3.594 1.00 0.00 O ATOM 0 H GLU A 56 -7.393 -4.899 2.959 1.00 0.00 H new ATOM 0 HA GLU A 56 -8.861 -6.085 5.074 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -6.502 -6.892 3.342 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -7.047 -7.933 4.642 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -9.324 -7.109 3.061 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -8.077 -7.734 2.000 1.00 0.00 H new ATOM 911 N ALA A 57 -5.929 -4.918 5.845 1.00 0.00 N ATOM 912 CA ALA A 57 -5.005 -4.691 6.953 1.00 0.00 C ATOM 913 C ALA A 57 -5.484 -3.585 7.889 1.00 0.00 C ATOM 914 O ALA A 57 -5.741 -3.827 9.071 1.00 0.00 O ATOM 915 CB ALA A 57 -3.618 -4.361 6.421 1.00 0.00 C ATOM 0 H ALA A 57 -5.715 -4.388 5.000 1.00 0.00 H new ATOM 0 HA ALA A 57 -4.964 -5.613 7.533 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -2.938 -4.194 7.256 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -3.253 -5.191 5.817 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -3.668 -3.461 5.808 1.00 0.00 H new ATOM 921 N ILE A 58 -5.602 -2.374 7.354 1.00 0.00 N ATOM 922 CA ILE A 58 -6.025 -1.221 8.148 1.00 0.00 C ATOM 923 C ILE A 58 -7.345 -1.479 8.867 1.00 0.00 C ATOM 924 O ILE A 58 -7.529 -1.050 10.007 1.00 0.00 O ATOM 925 CB ILE A 58 -6.160 0.050 7.283 1.00 0.00 C ATOM 926 CG1 ILE A 58 -4.857 0.324 6.524 1.00 0.00 C ATOM 927 CG2 ILE A 58 -6.536 1.245 8.148 1.00 0.00 C ATOM 928 CD1 ILE A 58 -3.630 0.380 7.410 1.00 0.00 C ATOM 0 H ILE A 58 -5.411 -2.163 6.374 1.00 0.00 H new ATOM 0 HA ILE A 58 -5.244 -1.063 8.892 1.00 0.00 H new ATOM 0 HB ILE A 58 -6.954 -0.111 6.554 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -4.715 -0.453 5.773 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -4.951 1.270 5.990 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -6.627 2.133 7.522 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -7.487 1.051 8.643 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -5.763 1.408 8.899 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -2.749 0.578 6.799 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -3.748 1.176 8.145 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -3.509 -0.573 7.924 1.00 0.00 H new ATOM 940 N LYS A 59 -8.262 -2.175 8.205 1.00 0.00 N ATOM 941 CA LYS A 59 -9.559 -2.471 8.801 1.00 0.00 C ATOM 942 C LYS A 59 -9.397 -3.248 10.105 1.00 0.00 C ATOM 943 O LYS A 59 -10.076 -2.958 11.091 1.00 0.00 O ATOM 944 CB LYS A 59 -10.439 -3.252 7.825 1.00 0.00 C ATOM 945 CG LYS A 59 -11.215 -2.365 6.866 1.00 0.00 C ATOM 946 CD LYS A 59 -12.438 -3.078 6.313 1.00 0.00 C ATOM 947 CE LYS A 59 -13.348 -2.120 5.561 1.00 0.00 C ATOM 948 NZ LYS A 59 -14.178 -2.824 4.545 1.00 0.00 N ATOM 0 H LYS A 59 -8.133 -2.542 7.262 1.00 0.00 H new ATOM 0 HA LYS A 59 -10.047 -1.522 9.025 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -9.813 -3.935 7.250 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -11.142 -3.864 8.391 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -11.525 -1.455 7.380 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -10.567 -2.062 6.044 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -12.122 -3.881 5.646 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -12.991 -3.541 7.130 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -13.999 -1.607 6.269 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -12.745 -1.356 5.071 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -14.784 -2.136 4.055 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -13.558 -3.293 3.854 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -14.773 -3.536 5.015 1.00 0.00 H new ATOM 962 N PHE A 60 -8.496 -4.232 10.114 1.00 0.00 N ATOM 963 CA PHE A 60 -8.263 -5.029 11.319 1.00 0.00 C ATOM 964 C PHE A 60 -7.073 -5.971 11.155 1.00 0.00 C ATOM 965 O PHE A 60 -7.241 -7.170 10.940 1.00 0.00 O ATOM 966 CB PHE A 60 -9.523 -5.826 11.705 1.00 0.00 C ATOM 967 CG PHE A 60 -10.138 -6.617 10.579 1.00 0.00 C ATOM 968 CD1 PHE A 60 -10.982 -6.008 9.665 1.00 0.00 C ATOM 969 CD2 PHE A 60 -9.880 -7.973 10.445 1.00 0.00 C ATOM 970 CE1 PHE A 60 -11.553 -6.734 8.637 1.00 0.00 C ATOM 971 CE2 PHE A 60 -10.450 -8.704 9.419 1.00 0.00 C ATOM 972 CZ PHE A 60 -11.286 -8.083 8.514 1.00 0.00 C ATOM 0 H PHE A 60 -7.923 -4.494 9.312 1.00 0.00 H new ATOM 0 HA PHE A 60 -8.029 -4.331 12.123 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -9.270 -6.510 12.515 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -10.269 -5.133 12.094 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -11.196 -4.953 9.757 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -9.226 -8.464 11.150 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -12.208 -6.246 7.930 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -10.241 -9.760 9.326 1.00 0.00 H new ATOM 0 HZ PHE A 60 -11.731 -8.651 7.711 1.00 0.00 H new ATOM 982 N SER A 61 -5.866 -5.423 11.271 1.00 0.00 N ATOM 983 CA SER A 61 -4.655 -6.227 11.146 1.00 0.00 C ATOM 984 C SER A 61 -3.400 -5.394 11.394 1.00 0.00 C ATOM 985 O SER A 61 -3.102 -5.033 12.533 1.00 0.00 O ATOM 986 CB SER A 61 -4.591 -6.891 9.766 1.00 0.00 C ATOM 987 OG SER A 61 -5.031 -8.236 9.827 1.00 0.00 O ATOM 0 H SER A 61 -5.702 -4.432 11.450 1.00 0.00 H new ATOM 0 HA SER A 61 -4.695 -7.004 11.910 1.00 0.00 H new ATOM 0 HB2 SER A 61 -5.209 -6.334 9.062 1.00 0.00 H new ATOM 0 HB3 SER A 61 -3.569 -6.856 9.389 1.00 0.00 H new ATOM 0 HG SER A 61 -5.924 -8.270 10.230 1.00 0.00 H new ATOM 993 N GLU A 62 -2.668 -5.092 10.327 1.00 0.00 N ATOM 994 CA GLU A 62 -1.436 -4.321 10.442 1.00 0.00 C ATOM 995 C GLU A 62 -1.641 -2.877 9.999 1.00 0.00 C ATOM 996 O GLU A 62 -1.345 -2.516 8.859 1.00 0.00 O ATOM 997 CB GLU A 62 -0.330 -4.976 9.614 1.00 0.00 C ATOM 998 CG GLU A 62 0.486 -5.997 10.391 1.00 0.00 C ATOM 999 CD GLU A 62 -0.376 -7.059 11.046 1.00 0.00 C ATOM 1000 OE1 GLU A 62 -0.800 -6.848 12.202 1.00 0.00 O ATOM 1001 OE2 GLU A 62 -0.627 -8.100 10.404 1.00 0.00 O ATOM 0 H GLU A 62 -2.906 -5.369 9.375 1.00 0.00 H new ATOM 0 HA GLU A 62 -1.141 -4.310 11.491 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -0.776 -5.463 8.747 1.00 0.00 H new ATOM 0 HB3 GLU A 62 0.337 -4.201 9.236 1.00 0.00 H new ATOM 0 HG2 GLU A 62 1.197 -6.476 9.718 1.00 0.00 H new ATOM 0 HG3 GLU A 62 1.068 -5.484 11.157 1.00 0.00 H new ATOM 1008 N GLU A 63 -2.152 -2.057 10.910 1.00 0.00 N ATOM 1009 CA GLU A 63 -2.399 -0.648 10.620 1.00 0.00 C ATOM 1010 C GLU A 63 -1.121 0.186 10.745 1.00 0.00 C ATOM 1011 O GLU A 63 -0.783 0.957 9.845 1.00 0.00 O ATOM 1012 CB GLU A 63 -3.473 -0.094 11.561 1.00 0.00 C ATOM 1013 CG GLU A 63 -3.269 -0.483 13.016 1.00 0.00 C ATOM 1014 CD GLU A 63 -4.441 -1.265 13.580 1.00 0.00 C ATOM 1015 OE1 GLU A 63 -5.596 -0.840 13.369 1.00 0.00 O ATOM 1016 OE2 GLU A 63 -4.202 -2.304 14.233 1.00 0.00 O ATOM 0 H GLU A 63 -2.404 -2.343 11.856 1.00 0.00 H new ATOM 0 HA GLU A 63 -2.748 -0.580 9.589 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -3.486 0.993 11.483 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -4.450 -0.449 11.233 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -2.362 -1.080 13.105 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -3.117 0.417 13.611 1.00 0.00 H new ATOM 1023 N GLN A 64 -0.411 0.021 11.858 1.00 0.00 N ATOM 1024 CA GLN A 64 0.821 0.770 12.102 1.00 0.00 C ATOM 1025 C GLN A 64 1.945 0.316 11.175 1.00 0.00 C ATOM 1026 O GLN A 64 2.910 1.048 10.948 1.00 0.00 O ATOM 1027 CB GLN A 64 1.253 0.615 13.561 1.00 0.00 C ATOM 1028 CG GLN A 64 0.308 1.281 14.548 1.00 0.00 C ATOM 1029 CD GLN A 64 0.823 1.232 15.974 1.00 0.00 C ATOM 1030 OE1 GLN A 64 1.941 1.659 16.257 1.00 0.00 O ATOM 1031 NE2 GLN A 64 0.005 0.709 16.881 1.00 0.00 N ATOM 0 H GLN A 64 -0.667 -0.624 12.606 1.00 0.00 H new ATOM 0 HA GLN A 64 0.617 1.821 11.895 1.00 0.00 H new ATOM 0 HB2 GLN A 64 1.325 -0.446 13.799 1.00 0.00 H new ATOM 0 HB3 GLN A 64 2.250 1.038 13.683 1.00 0.00 H new ATOM 0 HG2 GLN A 64 0.157 2.320 14.256 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -0.665 0.792 14.500 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -0.914 0.367 16.602 1.00 0.00 H new ATOM 0 HE22 GLN A 64 0.296 0.650 17.857 1.00 0.00 H new ATOM 1040 N ARG A 65 1.819 -0.894 10.639 1.00 0.00 N ATOM 1041 CA ARG A 65 2.825 -1.428 9.732 1.00 0.00 C ATOM 1042 C ARG A 65 2.715 -0.746 8.374 1.00 0.00 C ATOM 1043 O ARG A 65 3.661 -0.746 7.582 1.00 0.00 O ATOM 1044 CB ARG A 65 2.660 -2.942 9.578 1.00 0.00 C ATOM 1045 CG ARG A 65 3.557 -3.547 8.509 1.00 0.00 C ATOM 1046 CD ARG A 65 3.296 -5.035 8.338 1.00 0.00 C ATOM 1047 NE ARG A 65 4.496 -5.833 8.578 1.00 0.00 N ATOM 1048 CZ ARG A 65 4.611 -7.113 8.235 1.00 0.00 C ATOM 1049 NH1 ARG A 65 3.602 -7.736 7.640 1.00 0.00 N ATOM 1050 NH2 ARG A 65 5.735 -7.769 8.487 1.00 0.00 N ATOM 0 H ARG A 65 1.033 -1.520 10.817 1.00 0.00 H new ATOM 0 HA ARG A 65 3.812 -1.230 10.150 1.00 0.00 H new ATOM 0 HB2 ARG A 65 2.874 -3.421 10.533 1.00 0.00 H new ATOM 0 HB3 ARG A 65 1.620 -3.163 9.336 1.00 0.00 H new ATOM 0 HG2 ARG A 65 3.390 -3.036 7.561 1.00 0.00 H new ATOM 0 HG3 ARG A 65 4.602 -3.388 8.777 1.00 0.00 H new ATOM 0 HD2 ARG A 65 2.510 -5.346 9.026 1.00 0.00 H new ATOM 0 HD3 ARG A 65 2.930 -5.225 7.329 1.00 0.00 H new ATOM 0 HE ARG A 65 5.290 -5.383 9.034 1.00 0.00 H new ATOM 0 HH11 ARG A 65 2.736 -7.233 7.445 1.00 0.00 H new ATOM 0 HH12 ARG A 65 3.692 -8.718 7.378 1.00 0.00 H new ATOM 0 HH21 ARG A 65 6.512 -7.292 8.944 1.00 0.00 H new ATOM 0 HH22 ARG A 65 5.823 -8.751 8.224 1.00 0.00 H new ATOM 1064 N PHE A 66 1.556 -0.143 8.125 1.00 0.00 N ATOM 1065 CA PHE A 66 1.311 0.547 6.869 1.00 0.00 C ATOM 1066 C PHE A 66 1.794 1.986 6.957 1.00 0.00 C ATOM 1067 O PHE A 66 2.467 2.474 6.051 1.00 0.00 O ATOM 1068 CB PHE A 66 -0.173 0.502 6.504 1.00 0.00 C ATOM 1069 CG PHE A 66 -0.447 -0.297 5.263 1.00 0.00 C ATOM 1070 CD1 PHE A 66 0.143 0.050 4.057 1.00 0.00 C ATOM 1071 CD2 PHE A 66 -1.282 -1.402 5.302 1.00 0.00 C ATOM 1072 CE1 PHE A 66 -0.096 -0.688 2.915 1.00 0.00 C ATOM 1073 CE2 PHE A 66 -1.525 -2.142 4.163 1.00 0.00 C ATOM 1074 CZ PHE A 66 -0.931 -1.786 2.967 1.00 0.00 C ATOM 0 H PHE A 66 0.773 -0.120 8.779 1.00 0.00 H new ATOM 0 HA PHE A 66 1.869 0.038 6.083 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -0.733 0.075 7.336 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -0.538 1.519 6.363 1.00 0.00 H new ATOM 0 HD1 PHE A 66 0.797 0.908 4.011 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -1.748 -1.687 6.234 1.00 0.00 H new ATOM 0 HE1 PHE A 66 0.370 -0.407 1.982 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -2.180 -3.000 4.206 1.00 0.00 H new ATOM 0 HZ PHE A 66 -1.120 -2.365 2.075 1.00 0.00 H new ATOM 1084 N ASN A 67 1.458 2.662 8.057 1.00 0.00 N ATOM 1085 CA ASN A 67 1.895 4.038 8.251 1.00 0.00 C ATOM 1086 C ASN A 67 3.400 4.054 8.465 1.00 0.00 C ATOM 1087 O ASN A 67 4.059 5.085 8.313 1.00 0.00 O ATOM 1088 CB ASN A 67 1.179 4.698 9.436 1.00 0.00 C ATOM 1089 CG ASN A 67 0.852 3.738 10.550 1.00 0.00 C ATOM 1090 OD1 ASN A 67 1.733 3.337 11.308 1.00 0.00 O ATOM 1091 ND2 ASN A 67 -0.422 3.383 10.668 1.00 0.00 N ATOM 0 H ASN A 67 0.892 2.282 8.816 1.00 0.00 H new ATOM 0 HA ASN A 67 1.640 4.613 7.361 1.00 0.00 H new ATOM 0 HB2 ASN A 67 1.806 5.499 9.829 1.00 0.00 H new ATOM 0 HB3 ASN A 67 0.257 5.159 9.082 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -0.708 2.749 11.414 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -1.115 3.744 10.012 1.00 0.00 H new ATOM 1098 N ASN A 68 3.932 2.888 8.817 1.00 0.00 N ATOM 1099 CA ASN A 68 5.364 2.742 9.036 1.00 0.00 C ATOM 1100 C ASN A 68 6.085 2.710 7.694 1.00 0.00 C ATOM 1101 O ASN A 68 6.961 3.533 7.425 1.00 0.00 O ATOM 1102 CB ASN A 68 5.661 1.465 9.825 1.00 0.00 C ATOM 1103 CG ASN A 68 7.140 1.294 10.113 1.00 0.00 C ATOM 1104 OD1 ASN A 68 7.668 1.862 11.069 1.00 0.00 O ATOM 1105 ND2 ASN A 68 7.818 0.509 9.283 1.00 0.00 N ATOM 0 H ASN A 68 3.393 2.033 8.956 1.00 0.00 H new ATOM 0 HA ASN A 68 5.720 3.593 9.617 1.00 0.00 H new ATOM 0 HB2 ASN A 68 5.111 1.486 10.766 1.00 0.00 H new ATOM 0 HB3 ASN A 68 5.301 0.603 9.264 1.00 0.00 H new ATOM 0 HD21 ASN A 68 8.817 0.358 9.426 1.00 0.00 H new ATOM 0 HD22 ASN A 68 7.340 0.058 8.503 1.00 0.00 H new ATOM 1112 N PHE A 69 5.709 1.746 6.858 1.00 0.00 N ATOM 1113 CA PHE A 69 6.301 1.614 5.530 1.00 0.00 C ATOM 1114 C PHE A 69 5.959 2.821 4.660 1.00 0.00 C ATOM 1115 O PHE A 69 6.724 3.194 3.770 1.00 0.00 O ATOM 1116 CB PHE A 69 5.819 0.328 4.856 1.00 0.00 C ATOM 1117 CG PHE A 69 6.824 -0.263 3.908 1.00 0.00 C ATOM 1118 CD1 PHE A 69 7.796 -1.137 4.368 1.00 0.00 C ATOM 1119 CD2 PHE A 69 6.798 0.056 2.560 1.00 0.00 C ATOM 1120 CE1 PHE A 69 8.724 -1.683 3.501 1.00 0.00 C ATOM 1121 CE2 PHE A 69 7.724 -0.486 1.689 1.00 0.00 C ATOM 1122 CZ PHE A 69 8.688 -1.356 2.159 1.00 0.00 C ATOM 0 H PHE A 69 4.999 1.047 7.076 1.00 0.00 H new ATOM 0 HA PHE A 69 7.384 1.568 5.646 1.00 0.00 H new ATOM 0 HB2 PHE A 69 5.579 -0.408 5.624 1.00 0.00 H new ATOM 0 HB3 PHE A 69 4.897 0.535 4.313 1.00 0.00 H new ATOM 0 HD1 PHE A 69 7.829 -1.395 5.416 1.00 0.00 H new ATOM 0 HD2 PHE A 69 6.046 0.735 2.186 1.00 0.00 H new ATOM 0 HE1 PHE A 69 9.476 -2.364 3.872 1.00 0.00 H new ATOM 0 HE2 PHE A 69 7.694 -0.229 0.640 1.00 0.00 H new ATOM 0 HZ PHE A 69 9.412 -1.780 1.479 1.00 0.00 H new ATOM 1132 N LEU A 70 4.800 3.422 4.921 1.00 0.00 N ATOM 1133 CA LEU A 70 4.360 4.592 4.165 1.00 0.00 C ATOM 1134 C LEU A 70 5.253 5.788 4.463 1.00 0.00 C ATOM 1135 O LEU A 70 5.694 6.488 3.551 1.00 0.00 O ATOM 1136 CB LEU A 70 2.902 4.942 4.486 1.00 0.00 C ATOM 1137 CG LEU A 70 1.880 4.546 3.414 1.00 0.00 C ATOM 1138 CD1 LEU A 70 0.494 5.045 3.793 1.00 0.00 C ATOM 1139 CD2 LEU A 70 2.284 5.095 2.053 1.00 0.00 C ATOM 0 H LEU A 70 4.151 3.119 5.647 1.00 0.00 H new ATOM 0 HA LEU A 70 4.432 4.347 3.105 1.00 0.00 H new ATOM 0 HB2 LEU A 70 2.627 4.457 5.423 1.00 0.00 H new ATOM 0 HB3 LEU A 70 2.832 6.017 4.651 1.00 0.00 H new ATOM 0 HG LEU A 70 1.856 3.458 3.352 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -0.220 4.756 3.022 1.00 0.00 H new ATOM 0 HD12 LEU A 70 0.197 4.606 4.746 1.00 0.00 H new ATOM 0 HD13 LEU A 70 0.510 6.131 3.883 1.00 0.00 H new ATOM 0 HD21 LEU A 70 1.544 4.802 1.308 1.00 0.00 H new ATOM 0 HD22 LEU A 70 2.339 6.183 2.101 1.00 0.00 H new ATOM 0 HD23 LEU A 70 3.259 4.695 1.774 1.00 0.00 H new ATOM 1151 N LYS A 71 5.507 6.025 5.747 1.00 0.00 N ATOM 1152 CA LYS A 71 6.356 7.133 6.165 1.00 0.00 C ATOM 1153 C LYS A 71 7.725 7.045 5.502 1.00 0.00 C ATOM 1154 O LYS A 71 8.272 8.051 5.047 1.00 0.00 O ATOM 1155 CB LYS A 71 6.512 7.141 7.686 1.00 0.00 C ATOM 1156 CG LYS A 71 5.392 7.872 8.408 1.00 0.00 C ATOM 1157 CD LYS A 71 5.844 9.239 8.897 1.00 0.00 C ATOM 1158 CE LYS A 71 4.824 9.857 9.839 1.00 0.00 C ATOM 1159 NZ LYS A 71 5.263 11.191 10.336 1.00 0.00 N ATOM 0 H LYS A 71 5.137 5.464 6.514 1.00 0.00 H new ATOM 0 HA LYS A 71 5.878 8.062 5.853 1.00 0.00 H new ATOM 0 HB2 LYS A 71 6.553 6.112 8.044 1.00 0.00 H new ATOM 0 HB3 LYS A 71 7.463 7.607 7.943 1.00 0.00 H new ATOM 0 HG2 LYS A 71 4.540 7.987 7.738 1.00 0.00 H new ATOM 0 HG3 LYS A 71 5.053 7.275 9.255 1.00 0.00 H new ATOM 0 HD2 LYS A 71 6.803 9.146 9.407 1.00 0.00 H new ATOM 0 HD3 LYS A 71 6.000 9.899 8.044 1.00 0.00 H new ATOM 0 HE2 LYS A 71 3.869 9.958 9.324 1.00 0.00 H new ATOM 0 HE3 LYS A 71 4.661 9.190 10.685 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 4.540 11.578 10.975 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 6.162 11.092 10.850 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 5.394 11.836 9.530 1.00 0.00 H new ATOM 1173 N ALA A 72 8.273 5.834 5.448 1.00 0.00 N ATOM 1174 CA ALA A 72 9.580 5.617 4.836 1.00 0.00 C ATOM 1175 C ALA A 72 9.495 5.715 3.316 1.00 0.00 C ATOM 1176 O ALA A 72 10.339 6.344 2.674 1.00 0.00 O ATOM 1177 CB ALA A 72 10.138 4.264 5.249 1.00 0.00 C ATOM 0 H ALA A 72 7.834 4.991 5.819 1.00 0.00 H new ATOM 0 HA ALA A 72 10.254 6.398 5.188 1.00 0.00 H new ATOM 0 HB1 ALA A 72 11.113 4.116 4.785 1.00 0.00 H new ATOM 0 HB2 ALA A 72 10.243 4.229 6.333 1.00 0.00 H new ATOM 0 HB3 ALA A 72 9.458 3.476 4.925 1.00 0.00 H new ATOM 1183 N LEU A 73 8.472 5.086 2.749 1.00 0.00 N ATOM 1184 CA LEU A 73 8.266 5.097 1.306 1.00 0.00 C ATOM 1185 C LEU A 73 8.183 6.525 0.780 1.00 0.00 C ATOM 1186 O LEU A 73 8.854 6.874 -0.188 1.00 0.00 O ATOM 1187 CB LEU A 73 6.991 4.332 0.945 1.00 0.00 C ATOM 1188 CG LEU A 73 6.623 4.346 -0.539 1.00 0.00 C ATOM 1189 CD1 LEU A 73 7.590 3.485 -1.338 1.00 0.00 C ATOM 1190 CD2 LEU A 73 5.192 3.867 -0.737 1.00 0.00 C ATOM 0 H LEU A 73 7.770 4.560 3.269 1.00 0.00 H new ATOM 0 HA LEU A 73 9.119 4.606 0.838 1.00 0.00 H new ATOM 0 HB2 LEU A 73 7.105 3.296 1.265 1.00 0.00 H new ATOM 0 HB3 LEU A 73 6.161 4.752 1.513 1.00 0.00 H new ATOM 0 HG LEU A 73 6.697 5.371 -0.902 1.00 0.00 H new ATOM 0 HD11 LEU A 73 7.312 3.507 -2.392 1.00 0.00 H new ATOM 0 HD12 LEU A 73 8.603 3.871 -1.222 1.00 0.00 H new ATOM 0 HD13 LEU A 73 7.549 2.458 -0.974 1.00 0.00 H new ATOM 0 HD21 LEU A 73 4.947 3.883 -1.799 1.00 0.00 H new ATOM 0 HD22 LEU A 73 5.093 2.850 -0.357 1.00 0.00 H new ATOM 0 HD23 LEU A 73 4.510 4.524 -0.197 1.00 0.00 H new ATOM 1202 N GLN A 74 7.355 7.341 1.428 1.00 0.00 N ATOM 1203 CA GLN A 74 7.182 8.736 1.030 1.00 0.00 C ATOM 1204 C GLN A 74 8.528 9.449 0.965 1.00 0.00 C ATOM 1205 O GLN A 74 8.845 10.121 -0.020 1.00 0.00 O ATOM 1206 CB GLN A 74 6.256 9.459 2.007 1.00 0.00 C ATOM 1207 CG GLN A 74 5.706 10.768 1.465 1.00 0.00 C ATOM 1208 CD GLN A 74 6.558 11.962 1.848 1.00 0.00 C ATOM 1209 OE1 GLN A 74 6.718 12.273 3.029 1.00 0.00 O ATOM 1210 NE2 GLN A 74 7.110 12.639 0.849 1.00 0.00 N ATOM 0 H GLN A 74 6.793 7.060 2.231 1.00 0.00 H new ATOM 0 HA GLN A 74 6.731 8.752 0.038 1.00 0.00 H new ATOM 0 HB2 GLN A 74 5.424 8.802 2.261 1.00 0.00 H new ATOM 0 HB3 GLN A 74 6.799 9.657 2.931 1.00 0.00 H new ATOM 0 HG2 GLN A 74 5.639 10.708 0.379 1.00 0.00 H new ATOM 0 HG3 GLN A 74 4.693 10.915 1.839 1.00 0.00 H new ATOM 0 HE21 GLN A 74 6.951 12.346 -0.115 1.00 0.00 H new ATOM 0 HE22 GLN A 74 7.693 13.452 1.045 1.00 0.00 H new ATOM 1219 N GLU A 75 9.312 9.310 2.026 1.00 0.00 N ATOM 1220 CA GLU A 75 10.627 9.930 2.079 1.00 0.00 C ATOM 1221 C GLU A 75 11.541 9.319 1.023 1.00 0.00 C ATOM 1222 O GLU A 75 12.452 9.976 0.521 1.00 0.00 O ATOM 1223 CB GLU A 75 11.242 9.761 3.469 1.00 0.00 C ATOM 1224 CG GLU A 75 10.703 10.745 4.495 1.00 0.00 C ATOM 1225 CD GLU A 75 11.223 10.473 5.893 1.00 0.00 C ATOM 1226 OE1 GLU A 75 10.625 9.631 6.595 1.00 0.00 O ATOM 1227 OE2 GLU A 75 12.229 11.100 6.285 1.00 0.00 O ATOM 0 H GLU A 75 9.061 8.776 2.858 1.00 0.00 H new ATOM 0 HA GLU A 75 10.516 10.995 1.875 1.00 0.00 H new ATOM 0 HB2 GLU A 75 11.056 8.746 3.819 1.00 0.00 H new ATOM 0 HB3 GLU A 75 12.323 9.880 3.396 1.00 0.00 H new ATOM 0 HG2 GLU A 75 10.977 11.758 4.200 1.00 0.00 H new ATOM 0 HG3 GLU A 75 9.614 10.698 4.501 1.00 0.00 H new ATOM 1234 N LYS A 76 11.275 8.058 0.687 1.00 0.00 N ATOM 1235 CA LYS A 76 12.066 7.343 -0.306 1.00 0.00 C ATOM 1236 C LYS A 76 11.801 7.880 -1.709 1.00 0.00 C ATOM 1237 O LYS A 76 12.736 8.129 -2.472 1.00 0.00 O ATOM 1238 CB LYS A 76 11.759 5.845 -0.254 1.00 0.00 C ATOM 1239 CG LYS A 76 12.988 4.967 -0.416 1.00 0.00 C ATOM 1240 CD LYS A 76 12.764 3.581 0.166 1.00 0.00 C ATOM 1241 CE LYS A 76 13.926 2.652 -0.146 1.00 0.00 C ATOM 1242 NZ LYS A 76 14.932 2.631 0.950 1.00 0.00 N ATOM 0 H LYS A 76 10.515 7.511 1.091 1.00 0.00 H new ATOM 0 HA LYS A 76 13.119 7.499 -0.072 1.00 0.00 H new ATOM 0 HB2 LYS A 76 11.280 5.613 0.697 1.00 0.00 H new ATOM 0 HB3 LYS A 76 11.043 5.602 -1.039 1.00 0.00 H new ATOM 0 HG2 LYS A 76 13.239 4.882 -1.473 1.00 0.00 H new ATOM 0 HG3 LYS A 76 13.839 5.436 0.077 1.00 0.00 H new ATOM 0 HD2 LYS A 76 12.636 3.655 1.246 1.00 0.00 H new ATOM 0 HD3 LYS A 76 11.842 3.161 -0.237 1.00 0.00 H new ATOM 0 HE2 LYS A 76 13.549 1.643 -0.312 1.00 0.00 H new ATOM 0 HE3 LYS A 76 14.405 2.969 -1.072 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 15.707 1.986 0.697 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 15.311 3.589 1.092 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 14.482 2.304 1.828 1.00 0.00 H new ATOM 1256 N VAL A 77 10.523 8.054 -2.049 1.00 0.00 N ATOM 1257 CA VAL A 77 10.165 8.573 -3.366 1.00 0.00 C ATOM 1258 C VAL A 77 10.790 9.948 -3.562 1.00 0.00 C ATOM 1259 O VAL A 77 11.146 10.328 -4.677 1.00 0.00 O ATOM 1260 CB VAL A 77 8.629 8.643 -3.594 1.00 0.00 C ATOM 1261 CG1 VAL A 77 7.863 8.533 -2.288 1.00 0.00 C ATOM 1262 CG2 VAL A 77 8.237 9.917 -4.331 1.00 0.00 C ATOM 0 H VAL A 77 9.731 7.846 -1.440 1.00 0.00 H new ATOM 0 HA VAL A 77 10.557 7.874 -4.105 1.00 0.00 H new ATOM 0 HB VAL A 77 8.360 7.789 -4.216 1.00 0.00 H new ATOM 0 HG11 VAL A 77 6.793 8.586 -2.488 1.00 0.00 H new ATOM 0 HG12 VAL A 77 8.096 7.582 -1.809 1.00 0.00 H new ATOM 0 HG13 VAL A 77 8.150 9.352 -1.628 1.00 0.00 H new ATOM 0 HG21 VAL A 77 7.157 9.936 -4.475 1.00 0.00 H new ATOM 0 HG22 VAL A 77 8.540 10.784 -3.745 1.00 0.00 H new ATOM 0 HG23 VAL A 77 8.733 9.943 -5.301 1.00 0.00 H new ATOM 1272 N GLU A 78 10.927 10.689 -2.465 1.00 0.00 N ATOM 1273 CA GLU A 78 11.536 12.011 -2.515 1.00 0.00 C ATOM 1274 C GLU A 78 12.998 11.878 -2.919 1.00 0.00 C ATOM 1275 O GLU A 78 13.557 12.748 -3.586 1.00 0.00 O ATOM 1276 CB GLU A 78 11.425 12.708 -1.157 1.00 0.00 C ATOM 1277 CG GLU A 78 10.055 13.309 -0.893 1.00 0.00 C ATOM 1278 CD GLU A 78 10.012 14.112 0.393 1.00 0.00 C ATOM 1279 OE1 GLU A 78 9.779 13.509 1.461 1.00 0.00 O ATOM 1280 OE2 GLU A 78 10.209 15.343 0.330 1.00 0.00 O ATOM 0 H GLU A 78 10.625 10.396 -1.536 1.00 0.00 H new ATOM 0 HA GLU A 78 11.009 12.617 -3.252 1.00 0.00 H new ATOM 0 HB2 GLU A 78 11.656 11.990 -0.370 1.00 0.00 H new ATOM 0 HB3 GLU A 78 12.176 13.496 -1.100 1.00 0.00 H new ATOM 0 HG2 GLU A 78 9.776 13.951 -1.728 1.00 0.00 H new ATOM 0 HG3 GLU A 78 9.315 12.511 -0.844 1.00 0.00 H new ATOM 1287 N ILE A 79 13.604 10.767 -2.505 1.00 0.00 N ATOM 1288 CA ILE A 79 15.001 10.489 -2.835 1.00 0.00 C ATOM 1289 C ILE A 79 15.151 10.228 -4.332 1.00 0.00 C ATOM 1290 O ILE A 79 16.253 9.979 -4.822 1.00 0.00 O ATOM 1291 CB ILE A 79 15.548 9.273 -2.057 1.00 0.00 C ATOM 1292 CG1 ILE A 79 15.124 9.332 -0.587 1.00 0.00 C ATOM 1293 CG2 ILE A 79 17.065 9.209 -2.169 1.00 0.00 C ATOM 1294 CD1 ILE A 79 15.493 10.628 0.106 1.00 0.00 C ATOM 0 H ILE A 79 13.152 10.047 -1.942 1.00 0.00 H new ATOM 0 HA ILE A 79 15.577 11.369 -2.548 1.00 0.00 H new ATOM 0 HB ILE A 79 15.127 8.369 -2.498 1.00 0.00 H new ATOM 0 HG12 ILE A 79 14.045 9.192 -0.524 1.00 0.00 H new ATOM 0 HG13 ILE A 79 15.585 8.501 -0.052 1.00 0.00 H new ATOM 0 HG21 ILE A 79 17.435 8.346 -1.615 1.00 0.00 H new ATOM 0 HG22 ILE A 79 17.349 9.116 -3.217 1.00 0.00 H new ATOM 0 HG23 ILE A 79 17.499 10.119 -1.755 1.00 0.00 H new ATOM 0 HD11 ILE A 79 15.160 10.594 1.143 1.00 0.00 H new ATOM 0 HD12 ILE A 79 16.574 10.761 0.077 1.00 0.00 H new ATOM 0 HD13 ILE A 79 15.011 11.463 -0.403 1.00 0.00 H new ATOM 1306 N LYS A 80 14.026 10.284 -5.046 1.00 0.00 N ATOM 1307 CA LYS A 80 13.994 10.058 -6.485 1.00 0.00 C ATOM 1308 C LYS A 80 14.139 8.570 -6.802 1.00 0.00 C ATOM 1309 O LYS A 80 15.186 7.963 -6.570 1.00 0.00 O ATOM 1310 CB LYS A 80 15.063 10.915 -7.186 1.00 0.00 C ATOM 1311 CG LYS A 80 16.211 10.136 -7.815 1.00 0.00 C ATOM 1312 CD LYS A 80 16.963 10.980 -8.832 1.00 0.00 C ATOM 1313 CE LYS A 80 18.208 11.606 -8.225 1.00 0.00 C ATOM 1314 NZ LYS A 80 18.559 12.894 -8.884 1.00 0.00 N ATOM 0 H LYS A 80 13.113 10.488 -4.640 1.00 0.00 H new ATOM 0 HA LYS A 80 13.025 10.371 -6.873 1.00 0.00 H new ATOM 0 HB2 LYS A 80 14.579 11.507 -7.963 1.00 0.00 H new ATOM 0 HB3 LYS A 80 15.476 11.617 -6.461 1.00 0.00 H new ATOM 0 HG2 LYS A 80 16.898 9.805 -7.036 1.00 0.00 H new ATOM 0 HG3 LYS A 80 15.822 9.240 -8.299 1.00 0.00 H new ATOM 0 HD2 LYS A 80 17.244 10.361 -9.684 1.00 0.00 H new ATOM 0 HD3 LYS A 80 16.308 11.764 -9.211 1.00 0.00 H new ATOM 0 HE2 LYS A 80 18.047 11.775 -7.160 1.00 0.00 H new ATOM 0 HE3 LYS A 80 19.044 10.912 -8.315 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 19.413 13.289 -8.442 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 18.737 12.729 -9.895 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 17.772 13.565 -8.776 1.00 0.00 H new ATOM 1328 N GLN A 81 13.050 7.986 -7.302 1.00 0.00 N ATOM 1329 CA GLN A 81 13.015 6.570 -7.654 1.00 0.00 C ATOM 1330 C GLN A 81 11.620 6.160 -8.114 1.00 0.00 C ATOM 1331 O GLN A 81 11.465 5.443 -9.103 1.00 0.00 O ATOM 1332 CB GLN A 81 13.433 5.707 -6.461 1.00 0.00 C ATOM 1333 CG GLN A 81 14.751 4.981 -6.670 1.00 0.00 C ATOM 1334 CD GLN A 81 15.071 4.019 -5.544 1.00 0.00 C ATOM 1335 OE1 GLN A 81 14.221 3.239 -5.116 1.00 0.00 O ATOM 1336 NE2 GLN A 81 16.306 4.069 -5.057 1.00 0.00 N ATOM 0 H GLN A 81 12.174 8.479 -7.473 1.00 0.00 H new ATOM 0 HA GLN A 81 13.718 6.414 -8.472 1.00 0.00 H new ATOM 0 HB2 GLN A 81 13.512 6.338 -5.576 1.00 0.00 H new ATOM 0 HB3 GLN A 81 12.651 4.974 -6.261 1.00 0.00 H new ATOM 0 HG2 GLN A 81 14.714 4.433 -7.612 1.00 0.00 H new ATOM 0 HG3 GLN A 81 15.555 5.712 -6.758 1.00 0.00 H new ATOM 0 HE21 GLN A 81 16.979 4.731 -5.442 1.00 0.00 H new ATOM 0 HE22 GLN A 81 16.581 3.445 -4.298 1.00 0.00 H new ATOM 1345 N LEU A 82 10.606 6.622 -7.389 1.00 0.00 N ATOM 1346 CA LEU A 82 9.221 6.303 -7.716 1.00 0.00 C ATOM 1347 C LEU A 82 8.318 7.512 -7.486 1.00 0.00 C ATOM 1348 O LEU A 82 7.258 7.402 -6.869 1.00 0.00 O ATOM 1349 CB LEU A 82 8.738 5.119 -6.875 1.00 0.00 C ATOM 1350 CG LEU A 82 9.387 4.996 -5.495 1.00 0.00 C ATOM 1351 CD1 LEU A 82 8.323 4.905 -4.412 1.00 0.00 C ATOM 1352 CD2 LEU A 82 10.306 3.785 -5.447 1.00 0.00 C ATOM 0 H LEU A 82 10.718 7.219 -6.570 1.00 0.00 H new ATOM 0 HA LEU A 82 9.172 6.032 -8.771 1.00 0.00 H new ATOM 0 HB2 LEU A 82 7.659 5.201 -6.746 1.00 0.00 H new ATOM 0 HB3 LEU A 82 8.923 4.199 -7.430 1.00 0.00 H new ATOM 0 HG LEU A 82 9.985 5.889 -5.313 1.00 0.00 H new ATOM 0 HD11 LEU A 82 8.803 4.818 -3.437 1.00 0.00 H new ATOM 0 HD12 LEU A 82 7.704 5.802 -4.433 1.00 0.00 H new ATOM 0 HD13 LEU A 82 7.698 4.029 -4.588 1.00 0.00 H new ATOM 0 HD21 LEU A 82 10.760 3.712 -4.459 1.00 0.00 H new ATOM 0 HD22 LEU A 82 9.729 2.882 -5.649 1.00 0.00 H new ATOM 0 HD23 LEU A 82 11.088 3.892 -6.198 1.00 0.00 H new ATOM 1364 N ASN A 83 8.748 8.664 -7.989 1.00 0.00 N ATOM 1365 CA ASN A 83 7.981 9.897 -7.846 1.00 0.00 C ATOM 1366 C ASN A 83 6.664 9.809 -8.609 1.00 0.00 C ATOM 1367 O ASN A 83 5.759 10.622 -8.406 1.00 0.00 O ATOM 1368 CB ASN A 83 8.798 11.090 -8.345 1.00 0.00 C ATOM 1369 CG ASN A 83 10.292 10.845 -8.264 1.00 0.00 C ATOM 1370 OD1 ASN A 83 10.939 11.202 -7.278 1.00 0.00 O ATOM 1371 ND2 ASN A 83 10.849 10.234 -9.303 1.00 0.00 N ATOM 0 H ASN A 83 9.624 8.770 -8.500 1.00 0.00 H new ATOM 0 HA ASN A 83 7.757 10.037 -6.789 1.00 0.00 H new ATOM 0 HB2 ASN A 83 8.524 11.307 -9.377 1.00 0.00 H new ATOM 0 HB3 ASN A 83 8.545 11.971 -7.756 1.00 0.00 H new ATOM 0 HD21 ASN A 83 11.851 10.043 -9.305 1.00 0.00 H new ATOM 0 HD22 ASN A 83 10.275 9.956 -10.099 1.00 0.00 H new ATOM 1378 N HIS A 84 6.563 8.816 -9.484 1.00 0.00 N ATOM 1379 CA HIS A 84 5.359 8.617 -10.285 1.00 0.00 C ATOM 1380 C HIS A 84 4.263 7.944 -9.465 1.00 0.00 C ATOM 1381 O HIS A 84 3.082 8.265 -9.609 1.00 0.00 O ATOM 1382 CB HIS A 84 5.676 7.775 -11.524 1.00 0.00 C ATOM 1383 CG HIS A 84 7.130 7.752 -11.883 1.00 0.00 C ATOM 1384 ND1 HIS A 84 8.058 6.981 -11.213 1.00 0.00 N ATOM 1385 CD2 HIS A 84 7.818 8.414 -12.844 1.00 0.00 C ATOM 1386 CE1 HIS A 84 9.251 7.170 -11.746 1.00 0.00 C ATOM 1387 NE2 HIS A 84 9.133 8.033 -12.738 1.00 0.00 N ATOM 0 H HIS A 84 7.301 8.134 -9.658 1.00 0.00 H new ATOM 0 HA HIS A 84 5.000 9.596 -10.602 1.00 0.00 H new ATOM 0 HB2 HIS A 84 5.337 6.753 -11.354 1.00 0.00 H new ATOM 0 HB3 HIS A 84 5.108 8.162 -12.370 1.00 0.00 H new ATOM 0 HD2 HIS A 84 7.409 9.111 -13.560 1.00 0.00 H new ATOM 0 HE1 HIS A 84 10.168 6.698 -11.425 1.00 0.00 H new ATOM 0 HE2 HIS A 84 9.895 8.363 -13.330 1.00 0.00 H new ATOM 1396 N PHE A 85 4.657 7.014 -8.599 1.00 0.00 N ATOM 1397 CA PHE A 85 3.699 6.298 -7.764 1.00 0.00 C ATOM 1398 C PHE A 85 3.030 7.243 -6.773 1.00 0.00 C ATOM 1399 O PHE A 85 1.910 6.994 -6.326 1.00 0.00 O ATOM 1400 CB PHE A 85 4.383 5.154 -7.011 1.00 0.00 C ATOM 1401 CG PHE A 85 3.425 4.101 -6.526 1.00 0.00 C ATOM 1402 CD1 PHE A 85 2.708 3.331 -7.429 1.00 0.00 C ATOM 1403 CD2 PHE A 85 3.240 3.882 -5.169 1.00 0.00 C ATOM 1404 CE1 PHE A 85 1.825 2.364 -6.988 1.00 0.00 C ATOM 1405 CE2 PHE A 85 2.357 2.913 -4.723 1.00 0.00 C ATOM 1406 CZ PHE A 85 1.650 2.155 -5.634 1.00 0.00 C ATOM 0 H PHE A 85 5.629 6.740 -8.458 1.00 0.00 H new ATOM 0 HA PHE A 85 2.935 5.880 -8.419 1.00 0.00 H new ATOM 0 HB2 PHE A 85 5.122 4.689 -7.664 1.00 0.00 H new ATOM 0 HB3 PHE A 85 4.924 5.563 -6.158 1.00 0.00 H new ATOM 0 HD1 PHE A 85 2.841 3.489 -8.489 1.00 0.00 H new ATOM 0 HD2 PHE A 85 3.791 4.474 -4.452 1.00 0.00 H new ATOM 0 HE1 PHE A 85 1.272 1.772 -7.702 1.00 0.00 H new ATOM 0 HE2 PHE A 85 2.222 2.751 -3.664 1.00 0.00 H new ATOM 0 HZ PHE A 85 0.960 1.399 -5.289 1.00 0.00 H new ATOM 1416 N TRP A 86 3.719 8.328 -6.433 1.00 0.00 N ATOM 1417 CA TRP A 86 3.185 9.302 -5.497 1.00 0.00 C ATOM 1418 C TRP A 86 2.122 10.164 -6.168 1.00 0.00 C ATOM 1419 O TRP A 86 1.002 10.283 -5.669 1.00 0.00 O ATOM 1420 CB TRP A 86 4.311 10.177 -4.954 1.00 0.00 C ATOM 1421 CG TRP A 86 3.935 10.922 -3.715 1.00 0.00 C ATOM 1422 CD1 TRP A 86 4.012 12.267 -3.522 1.00 0.00 C ATOM 1423 CD2 TRP A 86 3.423 10.368 -2.498 1.00 0.00 C ATOM 1424 NE1 TRP A 86 3.579 12.589 -2.258 1.00 0.00 N ATOM 1425 CE2 TRP A 86 3.211 11.438 -1.610 1.00 0.00 C ATOM 1426 CE3 TRP A 86 3.122 9.070 -2.075 1.00 0.00 C ATOM 1427 CZ2 TRP A 86 2.712 11.248 -0.323 1.00 0.00 C ATOM 1428 CZ3 TRP A 86 2.628 8.883 -0.800 1.00 0.00 C ATOM 1429 CH2 TRP A 86 2.426 9.967 0.064 1.00 0.00 C ATOM 0 H TRP A 86 4.647 8.552 -6.793 1.00 0.00 H new ATOM 0 HA TRP A 86 2.720 8.769 -4.668 1.00 0.00 H new ATOM 0 HB2 TRP A 86 5.179 9.552 -4.744 1.00 0.00 H new ATOM 0 HB3 TRP A 86 4.610 10.890 -5.722 1.00 0.00 H new ATOM 0 HD1 TRP A 86 4.362 12.978 -4.256 1.00 0.00 H new ATOM 0 HE1 TRP A 86 3.538 13.530 -1.866 1.00 0.00 H new ATOM 0 HE3 TRP A 86 3.273 8.228 -2.734 1.00 0.00 H new ATOM 0 HZ2 TRP A 86 2.556 12.082 0.345 1.00 0.00 H new ATOM 0 HZ3 TRP A 86 2.393 7.884 -0.463 1.00 0.00 H new ATOM 0 HH2 TRP A 86 2.037 9.788 1.055 1.00 0.00 H new ATOM 1440 N GLU A 87 2.476 10.758 -7.306 1.00 0.00 N ATOM 1441 CA GLU A 87 1.546 11.597 -8.050 1.00 0.00 C ATOM 1442 C GLU A 87 0.347 10.774 -8.506 1.00 0.00 C ATOM 1443 O GLU A 87 -0.707 11.315 -8.843 1.00 0.00 O ATOM 1444 CB GLU A 87 2.241 12.227 -9.259 1.00 0.00 C ATOM 1445 CG GLU A 87 3.223 13.326 -8.890 1.00 0.00 C ATOM 1446 CD GLU A 87 4.044 13.796 -10.075 1.00 0.00 C ATOM 1447 OE1 GLU A 87 5.119 13.210 -10.322 1.00 0.00 O ATOM 1448 OE2 GLU A 87 3.611 14.750 -10.756 1.00 0.00 O ATOM 0 H GLU A 87 3.400 10.672 -7.730 1.00 0.00 H new ATOM 0 HA GLU A 87 1.199 12.395 -7.394 1.00 0.00 H new ATOM 0 HB2 GLU A 87 2.769 11.449 -9.810 1.00 0.00 H new ATOM 0 HB3 GLU A 87 1.486 12.636 -9.930 1.00 0.00 H new ATOM 0 HG2 GLU A 87 2.676 14.172 -8.473 1.00 0.00 H new ATOM 0 HG3 GLU A 87 3.892 12.963 -8.110 1.00 0.00 H new ATOM 1455 N ILE A 88 0.523 9.457 -8.507 1.00 0.00 N ATOM 1456 CA ILE A 88 -0.541 8.545 -8.904 1.00 0.00 C ATOM 1457 C ILE A 88 -1.447 8.244 -7.714 1.00 0.00 C ATOM 1458 O ILE A 88 -2.644 8.526 -7.745 1.00 0.00 O ATOM 1459 CB ILE A 88 0.020 7.225 -9.475 1.00 0.00 C ATOM 1460 CG1 ILE A 88 0.546 7.443 -10.895 1.00 0.00 C ATOM 1461 CG2 ILE A 88 -1.047 6.138 -9.464 1.00 0.00 C ATOM 1462 CD1 ILE A 88 1.449 6.330 -11.384 1.00 0.00 C ATOM 0 H ILE A 88 1.393 8.998 -8.237 1.00 0.00 H new ATOM 0 HA ILE A 88 -1.116 9.035 -9.689 1.00 0.00 H new ATOM 0 HB ILE A 88 0.846 6.899 -8.843 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -0.300 7.539 -11.576 1.00 0.00 H new ATOM 0 HG13 ILE A 88 1.093 8.385 -10.930 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -0.631 5.216 -9.870 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -1.380 5.966 -8.441 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -1.894 6.453 -10.073 1.00 0.00 H new ATOM 0 HD11 ILE A 88 1.784 6.552 -12.397 1.00 0.00 H new ATOM 0 HD12 ILE A 88 2.314 6.247 -10.726 1.00 0.00 H new ATOM 0 HD13 ILE A 88 0.900 5.388 -11.381 1.00 0.00 H new ATOM 1474 N VAL A 89 -0.861 7.662 -6.671 1.00 0.00 N ATOM 1475 CA VAL A 89 -1.600 7.326 -5.457 1.00 0.00 C ATOM 1476 C VAL A 89 -2.425 8.513 -4.962 1.00 0.00 C ATOM 1477 O VAL A 89 -3.499 8.334 -4.385 1.00 0.00 O ATOM 1478 CB VAL A 89 -0.651 6.858 -4.333 1.00 0.00 C ATOM 1479 CG1 VAL A 89 -1.382 6.784 -3.000 1.00 0.00 C ATOM 1480 CG2 VAL A 89 -0.039 5.510 -4.681 1.00 0.00 C ATOM 0 H VAL A 89 0.128 7.412 -6.642 1.00 0.00 H new ATOM 0 HA VAL A 89 -2.274 6.509 -5.713 1.00 0.00 H new ATOM 0 HB VAL A 89 0.151 7.590 -4.239 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -0.692 6.452 -2.224 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -1.770 7.770 -2.743 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -2.208 6.077 -3.077 1.00 0.00 H new ATOM 0 HG21 VAL A 89 0.627 5.195 -3.878 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -0.831 4.772 -4.806 1.00 0.00 H new ATOM 0 HG23 VAL A 89 0.526 5.596 -5.609 1.00 0.00 H new ATOM 1490 N VAL A 90 -1.929 9.725 -5.198 1.00 0.00 N ATOM 1491 CA VAL A 90 -2.637 10.926 -4.769 1.00 0.00 C ATOM 1492 C VAL A 90 -3.780 11.244 -5.729 1.00 0.00 C ATOM 1493 O VAL A 90 -4.911 11.479 -5.305 1.00 0.00 O ATOM 1494 CB VAL A 90 -1.693 12.144 -4.655 1.00 0.00 C ATOM 1495 CG1 VAL A 90 -1.077 12.490 -6.001 1.00 0.00 C ATOM 1496 CG2 VAL A 90 -2.434 13.342 -4.079 1.00 0.00 C ATOM 0 H VAL A 90 -1.047 9.900 -5.680 1.00 0.00 H new ATOM 0 HA VAL A 90 -3.042 10.724 -3.778 1.00 0.00 H new ATOM 0 HB VAL A 90 -0.883 11.879 -3.976 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -0.418 13.351 -5.889 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -0.503 11.639 -6.368 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -1.868 12.729 -6.712 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -1.753 14.190 -4.006 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -3.268 13.601 -4.731 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -2.812 13.094 -3.087 1.00 0.00 H new ATOM 1506 N GLN A 91 -3.469 11.267 -7.022 1.00 0.00 N ATOM 1507 CA GLN A 91 -4.468 11.536 -8.051 1.00 0.00 C ATOM 1508 C GLN A 91 -5.663 10.596 -7.911 1.00 0.00 C ATOM 1509 O GLN A 91 -6.803 10.988 -8.156 1.00 0.00 O ATOM 1510 CB GLN A 91 -3.850 11.391 -9.443 1.00 0.00 C ATOM 1511 CG GLN A 91 -4.687 12.013 -10.548 1.00 0.00 C ATOM 1512 CD GLN A 91 -4.017 11.926 -11.906 1.00 0.00 C ATOM 1513 OE1 GLN A 91 -4.269 11.000 -12.677 1.00 0.00 O ATOM 1514 NE2 GLN A 91 -3.160 12.894 -12.206 1.00 0.00 N ATOM 0 H GLN A 91 -2.529 11.102 -7.383 1.00 0.00 H new ATOM 0 HA GLN A 91 -4.818 12.560 -7.922 1.00 0.00 H new ATOM 0 HB2 GLN A 91 -2.863 11.853 -9.443 1.00 0.00 H new ATOM 0 HB3 GLN A 91 -3.707 10.332 -9.659 1.00 0.00 H new ATOM 0 HG2 GLN A 91 -5.654 11.513 -10.591 1.00 0.00 H new ATOM 0 HG3 GLN A 91 -4.879 13.059 -10.308 1.00 0.00 H new ATOM 0 HE21 GLN A 91 -2.981 13.642 -11.536 1.00 0.00 H new ATOM 0 HE22 GLN A 91 -2.680 12.889 -13.106 1.00 0.00 H new ATOM 1523 N ASP A 92 -5.393 9.354 -7.515 1.00 0.00 N ATOM 1524 CA ASP A 92 -6.447 8.358 -7.343 1.00 0.00 C ATOM 1525 C ASP A 92 -7.312 8.669 -6.123 1.00 0.00 C ATOM 1526 O ASP A 92 -8.191 7.887 -5.759 1.00 0.00 O ATOM 1527 CB ASP A 92 -5.835 6.963 -7.203 1.00 0.00 C ATOM 1528 CG ASP A 92 -5.486 6.347 -8.545 1.00 0.00 C ATOM 1529 OD1 ASP A 92 -4.366 6.593 -9.037 1.00 0.00 O ATOM 1530 OD2 ASP A 92 -6.336 5.621 -9.103 1.00 0.00 O ATOM 0 H ASP A 92 -4.454 9.014 -7.307 1.00 0.00 H new ATOM 0 HA ASP A 92 -7.083 8.388 -8.228 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -4.936 7.023 -6.589 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -6.536 6.313 -6.679 1.00 0.00 H new ATOM 1535 N GLY A 93 -7.058 9.812 -5.498 1.00 0.00 N ATOM 1536 CA GLY A 93 -7.821 10.212 -4.330 1.00 0.00 C ATOM 1537 C GLY A 93 -7.427 9.451 -3.079 1.00 0.00 C ATOM 1538 O GLY A 93 -7.962 9.706 -2.000 1.00 0.00 O ATOM 0 H GLY A 93 -6.334 10.472 -5.781 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -7.681 11.279 -4.159 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -8.882 10.057 -4.525 1.00 0.00 H new ATOM 1542 N ILE A 94 -6.490 8.516 -3.216 1.00 0.00 N ATOM 1543 CA ILE A 94 -6.034 7.726 -2.079 1.00 0.00 C ATOM 1544 C ILE A 94 -5.210 8.582 -1.125 1.00 0.00 C ATOM 1545 O ILE A 94 -4.382 9.384 -1.555 1.00 0.00 O ATOM 1546 CB ILE A 94 -5.188 6.517 -2.527 1.00 0.00 C ATOM 1547 CG1 ILE A 94 -5.817 5.849 -3.751 1.00 0.00 C ATOM 1548 CG2 ILE A 94 -5.047 5.520 -1.387 1.00 0.00 C ATOM 1549 CD1 ILE A 94 -4.895 4.866 -4.442 1.00 0.00 C ATOM 0 H ILE A 94 -6.034 8.289 -4.100 1.00 0.00 H new ATOM 0 HA ILE A 94 -6.925 7.359 -1.569 1.00 0.00 H new ATOM 0 HB ILE A 94 -4.194 6.870 -2.802 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -6.725 5.330 -3.445 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -6.114 6.619 -4.463 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -4.448 4.672 -1.718 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -4.558 6.002 -0.540 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -6.034 5.171 -1.085 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -5.406 4.430 -5.301 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -3.997 5.384 -4.778 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -4.618 4.075 -3.745 1.00 0.00 H new ATOM 1561 N THR A 95 -5.441 8.408 0.173 1.00 0.00 N ATOM 1562 CA THR A 95 -4.721 9.175 1.181 1.00 0.00 C ATOM 1563 C THR A 95 -4.150 8.274 2.269 1.00 0.00 C ATOM 1564 O THR A 95 -4.521 7.106 2.385 1.00 0.00 O ATOM 1565 CB THR A 95 -5.627 10.238 1.831 1.00 0.00 C ATOM 1566 OG1 THR A 95 -4.917 10.924 2.869 1.00 0.00 O ATOM 1567 CG2 THR A 95 -6.883 9.601 2.405 1.00 0.00 C ATOM 0 H THR A 95 -6.119 7.745 0.549 1.00 0.00 H new ATOM 0 HA THR A 95 -3.899 9.672 0.665 1.00 0.00 H new ATOM 0 HB THR A 95 -5.919 10.952 1.061 1.00 0.00 H new ATOM 0 HG1 THR A 95 -5.501 11.598 3.274 1.00 0.00 H new ATOM 0 HG21 THR A 95 -7.507 10.371 2.859 1.00 0.00 H new ATOM 0 HG22 THR A 95 -7.438 9.108 1.607 1.00 0.00 H new ATOM 0 HG23 THR A 95 -6.606 8.867 3.161 1.00 0.00 H new ATOM 1575 N LEU A 96 -3.244 8.836 3.061 1.00 0.00 N ATOM 1576 CA LEU A 96 -2.603 8.105 4.147 1.00 0.00 C ATOM 1577 C LEU A 96 -3.627 7.560 5.136 1.00 0.00 C ATOM 1578 O LEU A 96 -4.828 7.800 5.007 1.00 0.00 O ATOM 1579 CB LEU A 96 -1.611 9.017 4.875 1.00 0.00 C ATOM 1580 CG LEU A 96 -0.181 9.031 4.320 1.00 0.00 C ATOM 1581 CD1 LEU A 96 0.708 8.090 5.116 1.00 0.00 C ATOM 1582 CD2 LEU A 96 -0.154 8.667 2.839 1.00 0.00 C ATOM 0 H LEU A 96 -2.935 9.804 2.970 1.00 0.00 H new ATOM 0 HA LEU A 96 -2.072 7.258 3.713 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -1.999 10.035 4.851 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -1.571 8.715 5.922 1.00 0.00 H new ATOM 0 HG LEU A 96 0.205 10.046 4.420 1.00 0.00 H new ATOM 0 HD11 LEU A 96 1.719 8.113 4.708 1.00 0.00 H new ATOM 0 HD12 LEU A 96 0.730 8.406 6.159 1.00 0.00 H new ATOM 0 HD13 LEU A 96 0.314 7.076 5.052 1.00 0.00 H new ATOM 0 HD21 LEU A 96 0.874 8.687 2.478 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -0.568 7.668 2.702 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -0.750 9.386 2.277 1.00 0.00 H new ATOM 1594 N ILE A 97 -3.133 6.828 6.127 1.00 0.00 N ATOM 1595 CA ILE A 97 -3.983 6.237 7.150 1.00 0.00 C ATOM 1596 C ILE A 97 -4.469 7.294 8.141 1.00 0.00 C ATOM 1597 O ILE A 97 -3.669 8.018 8.732 1.00 0.00 O ATOM 1598 CB ILE A 97 -3.224 5.118 7.902 1.00 0.00 C ATOM 1599 CG1 ILE A 97 -3.542 3.755 7.281 1.00 0.00 C ATOM 1600 CG2 ILE A 97 -3.558 5.125 9.389 1.00 0.00 C ATOM 1601 CD1 ILE A 97 -2.887 3.534 5.932 1.00 0.00 C ATOM 0 H ILE A 97 -2.139 6.629 6.243 1.00 0.00 H new ATOM 0 HA ILE A 97 -4.853 5.807 6.654 1.00 0.00 H new ATOM 0 HB ILE A 97 -2.155 5.307 7.804 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -3.220 2.970 7.965 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -4.622 3.658 7.171 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -3.009 4.327 9.889 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -3.276 6.085 9.821 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -4.628 4.968 9.522 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -3.157 2.548 5.554 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -3.228 4.297 5.232 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -1.804 3.598 6.039 1.00 0.00 H new ATOM 1613 N THR A 98 -5.787 7.385 8.307 1.00 0.00 N ATOM 1614 CA THR A 98 -6.376 8.350 9.229 1.00 0.00 C ATOM 1615 C THR A 98 -6.870 7.675 10.507 1.00 0.00 C ATOM 1616 O THR A 98 -7.326 6.533 10.482 1.00 0.00 O ATOM 1617 CB THR A 98 -7.550 9.105 8.577 1.00 0.00 C ATOM 1618 OG1 THR A 98 -7.704 8.690 7.215 1.00 0.00 O ATOM 1619 CG2 THR A 98 -7.322 10.608 8.630 1.00 0.00 C ATOM 0 H THR A 98 -6.465 6.803 7.815 1.00 0.00 H new ATOM 0 HA THR A 98 -5.588 9.059 9.482 1.00 0.00 H new ATOM 0 HB THR A 98 -8.458 8.870 9.133 1.00 0.00 H new ATOM 0 HG1 THR A 98 -8.453 9.173 6.808 1.00 0.00 H new ATOM 0 HG21 THR A 98 -8.164 11.120 8.164 1.00 0.00 H new ATOM 0 HG22 THR A 98 -7.234 10.926 9.669 1.00 0.00 H new ATOM 0 HG23 THR A 98 -6.405 10.856 8.095 1.00 0.00 H new ATOM 1627 N LYS A 99 -6.746 8.394 11.621 1.00 0.00 N ATOM 1628 CA LYS A 99 -7.173 7.909 12.937 1.00 0.00 C ATOM 1629 C LYS A 99 -8.370 6.958 12.862 1.00 0.00 C ATOM 1630 O LYS A 99 -8.203 5.739 12.821 1.00 0.00 O ATOM 1631 CB LYS A 99 -7.520 9.098 13.838 1.00 0.00 C ATOM 1632 CG LYS A 99 -7.977 8.701 15.234 1.00 0.00 C ATOM 1633 CD LYS A 99 -8.612 9.872 15.965 1.00 0.00 C ATOM 1634 CE LYS A 99 -8.164 9.930 17.417 1.00 0.00 C ATOM 1635 NZ LYS A 99 -8.707 11.127 18.117 1.00 0.00 N ATOM 0 H LYS A 99 -6.346 9.332 11.639 1.00 0.00 H new ATOM 0 HA LYS A 99 -6.339 7.344 13.354 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -6.646 9.744 13.922 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -8.306 9.685 13.362 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -8.693 7.882 15.165 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -7.125 8.332 15.806 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -8.347 10.803 15.464 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -9.698 9.785 15.921 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -8.490 9.028 17.934 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -7.075 9.946 17.461 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -8.379 11.130 19.104 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -8.375 11.989 17.639 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -9.746 11.099 18.098 1.00 0.00 H new ATOM 1649 N GLU A 100 -9.573 7.525 12.852 1.00 0.00 N ATOM 1650 CA GLU A 100 -10.799 6.731 12.819 1.00 0.00 C ATOM 1651 C GLU A 100 -10.902 5.870 11.561 1.00 0.00 C ATOM 1652 O GLU A 100 -11.763 4.991 11.478 1.00 0.00 O ATOM 1653 CB GLU A 100 -12.021 7.644 12.944 1.00 0.00 C ATOM 1654 CG GLU A 100 -12.685 7.980 11.618 1.00 0.00 C ATOM 1655 CD GLU A 100 -13.687 9.112 11.738 1.00 0.00 C ATOM 1656 OE1 GLU A 100 -13.297 10.203 12.206 1.00 0.00 O ATOM 1657 OE2 GLU A 100 -14.861 8.908 11.364 1.00 0.00 O ATOM 0 H GLU A 100 -9.726 8.533 12.866 1.00 0.00 H new ATOM 0 HA GLU A 100 -10.767 6.050 13.669 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -12.754 7.165 13.594 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -11.720 8.571 13.432 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -11.920 8.253 10.891 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -13.189 7.093 11.233 1.00 0.00 H new ATOM 1664 N GLU A 101 -10.037 6.118 10.584 1.00 0.00 N ATOM 1665 CA GLU A 101 -10.046 5.342 9.345 1.00 0.00 C ATOM 1666 C GLU A 101 -9.553 3.912 9.584 1.00 0.00 C ATOM 1667 O GLU A 101 -9.110 3.236 8.655 1.00 0.00 O ATOM 1668 CB GLU A 101 -9.182 6.022 8.281 1.00 0.00 C ATOM 1669 CG GLU A 101 -9.628 5.729 6.858 1.00 0.00 C ATOM 1670 CD GLU A 101 -8.468 5.692 5.881 1.00 0.00 C ATOM 1671 OE1 GLU A 101 -7.577 4.833 6.050 1.00 0.00 O ATOM 1672 OE2 GLU A 101 -8.451 6.522 4.948 1.00 0.00 O ATOM 0 H GLU A 101 -9.323 6.846 10.623 1.00 0.00 H new ATOM 0 HA GLU A 101 -11.075 5.294 8.990 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -9.200 7.100 8.444 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -8.148 5.699 8.403 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -10.150 4.772 6.834 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -10.342 6.489 6.541 1.00 0.00 H new ATOM 1679 N ALA A 102 -9.634 3.461 10.832 1.00 0.00 N ATOM 1680 CA ALA A 102 -9.208 2.116 11.196 1.00 0.00 C ATOM 1681 C ALA A 102 -10.220 1.460 12.131 1.00 0.00 C ATOM 1682 O ALA A 102 -10.784 0.413 11.813 1.00 0.00 O ATOM 1683 CB ALA A 102 -7.833 2.155 11.846 1.00 0.00 C ATOM 0 H ALA A 102 -9.993 4.012 11.612 1.00 0.00 H new ATOM 0 HA ALA A 102 -9.148 1.519 10.286 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -7.528 1.143 12.113 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -7.112 2.579 11.147 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -7.873 2.771 12.745 1.00 0.00 H new ATOM 1689 N SER A 103 -10.446 2.092 13.282 1.00 0.00 N ATOM 1690 CA SER A 103 -11.392 1.580 14.272 1.00 0.00 C ATOM 1691 C SER A 103 -11.476 2.517 15.473 1.00 0.00 C ATOM 1692 O SER A 103 -12.554 2.752 16.020 1.00 0.00 O ATOM 1693 CB SER A 103 -10.977 0.181 14.735 1.00 0.00 C ATOM 1694 OG SER A 103 -9.581 0.116 14.975 1.00 0.00 O ATOM 0 H SER A 103 -9.986 2.961 13.552 1.00 0.00 H new ATOM 0 HA SER A 103 -12.374 1.522 13.803 1.00 0.00 H new ATOM 0 HB2 SER A 103 -11.518 -0.080 15.645 1.00 0.00 H new ATOM 0 HB3 SER A 103 -11.254 -0.553 13.978 1.00 0.00 H new ATOM 0 HG SER A 103 -9.342 -0.787 15.271 1.00 0.00 H new ATOM 1700 N GLY A 104 -10.327 3.050 15.874 1.00 0.00 N ATOM 1701 CA GLY A 104 -10.273 3.955 17.008 1.00 0.00 C ATOM 1702 C GLY A 104 -8.856 4.145 17.510 1.00 0.00 C ATOM 1703 O GLY A 104 -8.587 4.025 18.705 1.00 0.00 O ATOM 0 H GLY A 104 -9.426 2.870 15.431 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -10.690 4.921 16.722 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -10.895 3.565 17.814 1.00 0.00 H new ATOM 1707 N SER A 105 -7.950 4.444 16.585 1.00 0.00 N ATOM 1708 CA SER A 105 -6.544 4.638 16.926 1.00 0.00 C ATOM 1709 C SER A 105 -6.053 6.001 16.505 1.00 0.00 C ATOM 1710 O SER A 105 -6.186 6.393 15.347 1.00 0.00 O ATOM 1711 CB SER A 105 -5.683 3.547 16.287 1.00 0.00 C ATOM 1712 OG SER A 105 -5.610 2.403 17.118 1.00 0.00 O ATOM 0 H SER A 105 -8.163 4.557 15.594 1.00 0.00 H new ATOM 0 HA SER A 105 -6.457 4.571 18.010 1.00 0.00 H new ATOM 0 HB2 SER A 105 -6.100 3.271 15.319 1.00 0.00 H new ATOM 0 HB3 SER A 105 -4.680 3.932 16.104 1.00 0.00 H new ATOM 0 HG SER A 105 -5.056 1.720 16.686 1.00 0.00 H new ATOM 1718 N SER A 106 -5.467 6.716 17.457 1.00 0.00 N ATOM 1719 CA SER A 106 -4.950 8.040 17.199 1.00 0.00 C ATOM 1720 C SER A 106 -3.923 8.003 16.081 1.00 0.00 C ATOM 1721 O SER A 106 -3.072 7.117 16.023 1.00 0.00 O ATOM 1722 CB SER A 106 -4.322 8.624 18.466 1.00 0.00 C ATOM 1723 OG SER A 106 -3.380 7.727 19.029 1.00 0.00 O ATOM 0 H SER A 106 -5.341 6.393 18.416 1.00 0.00 H new ATOM 0 HA SER A 106 -5.780 8.676 16.891 1.00 0.00 H new ATOM 0 HB2 SER A 106 -3.833 9.569 18.231 1.00 0.00 H new ATOM 0 HB3 SER A 106 -5.102 8.842 19.195 1.00 0.00 H new ATOM 0 HG SER A 106 -2.992 8.124 19.836 1.00 0.00 H new ATOM 1729 N VAL A 107 -4.020 8.979 15.204 1.00 0.00 N ATOM 1730 CA VAL A 107 -3.105 9.100 14.077 1.00 0.00 C ATOM 1731 C VAL A 107 -2.706 10.550 13.877 1.00 0.00 C ATOM 1732 O VAL A 107 -3.546 11.449 13.864 1.00 0.00 O ATOM 1733 CB VAL A 107 -3.706 8.533 12.774 1.00 0.00 C ATOM 1734 CG1 VAL A 107 -3.027 9.133 11.550 1.00 0.00 C ATOM 1735 CG2 VAL A 107 -3.580 7.020 12.757 1.00 0.00 C ATOM 0 H VAL A 107 -4.730 9.710 15.247 1.00 0.00 H new ATOM 0 HA VAL A 107 -2.221 8.508 14.314 1.00 0.00 H new ATOM 0 HB VAL A 107 -4.761 8.803 12.740 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -3.471 8.715 10.646 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -3.161 10.215 11.553 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -1.963 8.899 11.573 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -4.007 6.630 11.833 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -2.528 6.742 12.816 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -4.115 6.601 13.609 1.00 0.00 H new ATOM 1745 N THR A 108 -1.411 10.758 13.723 1.00 0.00 N ATOM 1746 CA THR A 108 -0.856 12.085 13.543 1.00 0.00 C ATOM 1747 C THR A 108 -1.504 12.838 12.384 1.00 0.00 C ATOM 1748 O THR A 108 -1.946 12.241 11.403 1.00 0.00 O ATOM 1749 CB THR A 108 0.656 11.999 13.295 1.00 0.00 C ATOM 1750 OG1 THR A 108 1.182 10.810 13.898 1.00 0.00 O ATOM 1751 CG2 THR A 108 1.363 13.214 13.865 1.00 0.00 C ATOM 0 H THR A 108 -0.716 10.012 13.719 1.00 0.00 H new ATOM 0 HA THR A 108 -1.061 12.636 14.461 1.00 0.00 H new ATOM 0 HB THR A 108 0.827 11.968 12.219 1.00 0.00 H new ATOM 0 HG1 THR A 108 2.147 10.760 13.735 1.00 0.00 H new ATOM 0 HG21 THR A 108 2.434 13.133 13.678 1.00 0.00 H new ATOM 0 HG22 THR A 108 0.979 14.116 13.388 1.00 0.00 H new ATOM 0 HG23 THR A 108 1.185 13.268 14.939 1.00 0.00 H new ATOM 1759 N ALA A 109 -1.551 14.160 12.520 1.00 0.00 N ATOM 1760 CA ALA A 109 -2.110 15.037 11.497 1.00 0.00 C ATOM 1761 C ALA A 109 -1.074 15.289 10.410 1.00 0.00 C ATOM 1762 O ALA A 109 -1.380 15.814 9.340 1.00 0.00 O ATOM 1763 CB ALA A 109 -2.571 16.349 12.113 1.00 0.00 C ATOM 0 H ALA A 109 -1.203 14.653 13.342 1.00 0.00 H new ATOM 0 HA ALA A 109 -2.977 14.550 11.050 1.00 0.00 H new ATOM 0 HB1 ALA A 109 -2.985 16.991 11.335 1.00 0.00 H new ATOM 0 HB2 ALA A 109 -3.335 16.150 12.864 1.00 0.00 H new ATOM 0 HB3 ALA A 109 -1.723 16.848 12.582 1.00 0.00 H new ATOM 1769 N GLU A 110 0.160 14.907 10.714 1.00 0.00 N ATOM 1770 CA GLU A 110 1.279 15.084 9.801 1.00 0.00 C ATOM 1771 C GLU A 110 1.342 13.923 8.817 1.00 0.00 C ATOM 1772 O GLU A 110 2.008 13.997 7.786 1.00 0.00 O ATOM 1773 CB GLU A 110 2.592 15.188 10.578 1.00 0.00 C ATOM 1774 CG GLU A 110 2.699 16.445 11.426 1.00 0.00 C ATOM 1775 CD GLU A 110 3.500 17.539 10.748 1.00 0.00 C ATOM 1776 OE1 GLU A 110 4.747 17.485 10.808 1.00 0.00 O ATOM 1777 OE2 GLU A 110 2.882 18.449 10.157 1.00 0.00 O ATOM 0 H GLU A 110 0.412 14.467 11.599 1.00 0.00 H new ATOM 0 HA GLU A 110 1.130 16.010 9.245 1.00 0.00 H new ATOM 0 HB2 GLU A 110 2.693 14.315 11.223 1.00 0.00 H new ATOM 0 HB3 GLU A 110 3.424 15.163 9.874 1.00 0.00 H new ATOM 0 HG2 GLU A 110 1.698 16.816 11.647 1.00 0.00 H new ATOM 0 HG3 GLU A 110 3.165 16.197 12.380 1.00 0.00 H new ATOM 1784 N GLU A 111 0.645 12.844 9.154 1.00 0.00 N ATOM 1785 CA GLU A 111 0.632 11.655 8.323 1.00 0.00 C ATOM 1786 C GLU A 111 -0.354 11.806 7.168 1.00 0.00 C ATOM 1787 O GLU A 111 -0.029 11.504 6.023 1.00 0.00 O ATOM 1788 CB GLU A 111 0.273 10.427 9.167 1.00 0.00 C ATOM 1789 CG GLU A 111 -0.295 9.274 8.360 1.00 0.00 C ATOM 1790 CD GLU A 111 -0.165 7.943 9.072 1.00 0.00 C ATOM 1791 OE1 GLU A 111 0.832 7.754 9.800 1.00 0.00 O ATOM 1792 OE2 GLU A 111 -1.060 7.088 8.902 1.00 0.00 O ATOM 0 H GLU A 111 0.081 12.772 10.001 1.00 0.00 H new ATOM 0 HA GLU A 111 1.629 11.521 7.903 1.00 0.00 H new ATOM 0 HB2 GLU A 111 1.165 10.086 9.693 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -0.452 10.719 9.926 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -1.347 9.467 8.148 1.00 0.00 H new ATOM 0 HG3 GLU A 111 0.219 9.220 7.400 1.00 0.00 H new ATOM 1799 N ALA A 112 -1.558 12.276 7.471 1.00 0.00 N ATOM 1800 CA ALA A 112 -2.589 12.435 6.455 1.00 0.00 C ATOM 1801 C ALA A 112 -2.533 13.791 5.749 1.00 0.00 C ATOM 1802 O ALA A 112 -2.623 13.864 4.524 1.00 0.00 O ATOM 1803 CB ALA A 112 -3.961 12.233 7.080 1.00 0.00 C ATOM 0 H ALA A 112 -1.843 12.553 8.410 1.00 0.00 H new ATOM 0 HA ALA A 112 -2.404 11.677 5.694 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -4.730 12.353 6.317 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -4.024 11.231 7.504 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -4.114 12.970 7.868 1.00 0.00 H new ATOM 1809 N LYS A 113 -2.384 14.861 6.525 1.00 0.00 N ATOM 1810 CA LYS A 113 -2.369 16.215 5.971 1.00 0.00 C ATOM 1811 C LYS A 113 -1.034 16.591 5.326 1.00 0.00 C ATOM 1812 O LYS A 113 -1.011 17.122 4.215 1.00 0.00 O ATOM 1813 CB LYS A 113 -2.715 17.232 7.061 1.00 0.00 C ATOM 1814 CG LYS A 113 -3.918 16.837 7.902 1.00 0.00 C ATOM 1815 CD LYS A 113 -4.583 18.053 8.529 1.00 0.00 C ATOM 1816 CE LYS A 113 -6.098 17.935 8.500 1.00 0.00 C ATOM 1817 NZ LYS A 113 -6.651 17.561 9.831 1.00 0.00 N ATOM 0 H LYS A 113 -2.272 14.819 7.538 1.00 0.00 H new ATOM 0 HA LYS A 113 -3.120 16.233 5.181 1.00 0.00 H new ATOM 0 HB2 LYS A 113 -1.852 17.360 7.714 1.00 0.00 H new ATOM 0 HB3 LYS A 113 -2.909 18.199 6.596 1.00 0.00 H new ATOM 0 HG2 LYS A 113 -4.639 16.306 7.281 1.00 0.00 H new ATOM 0 HG3 LYS A 113 -3.605 16.148 8.686 1.00 0.00 H new ATOM 0 HD2 LYS A 113 -4.245 18.163 9.559 1.00 0.00 H new ATOM 0 HD3 LYS A 113 -4.277 18.953 7.995 1.00 0.00 H new ATOM 0 HE2 LYS A 113 -6.530 18.883 8.181 1.00 0.00 H new ATOM 0 HE3 LYS A 113 -6.390 17.187 7.762 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 -7.687 17.491 9.769 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 -6.259 16.644 10.125 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 -6.394 18.287 10.530 1.00 0.00 H new ATOM 1831 N LYS A 114 0.071 16.320 6.011 1.00 0.00 N ATOM 1832 CA LYS A 114 1.387 16.679 5.486 1.00 0.00 C ATOM 1833 C LYS A 114 1.734 15.892 4.226 1.00 0.00 C ATOM 1834 O LYS A 114 2.296 16.444 3.279 1.00 0.00 O ATOM 1835 CB LYS A 114 2.462 16.464 6.550 1.00 0.00 C ATOM 1836 CG LYS A 114 3.483 17.588 6.617 1.00 0.00 C ATOM 1837 CD LYS A 114 4.592 17.395 5.595 1.00 0.00 C ATOM 1838 CE LYS A 114 5.478 18.627 5.496 1.00 0.00 C ATOM 1839 NZ LYS A 114 5.993 19.050 6.828 1.00 0.00 N ATOM 0 H LYS A 114 0.085 15.859 6.921 1.00 0.00 H new ATOM 0 HA LYS A 114 1.351 17.735 5.217 1.00 0.00 H new ATOM 0 HB2 LYS A 114 1.983 16.361 7.524 1.00 0.00 H new ATOM 0 HB3 LYS A 114 2.979 15.526 6.348 1.00 0.00 H new ATOM 0 HG2 LYS A 114 2.987 18.543 6.441 1.00 0.00 H new ATOM 0 HG3 LYS A 114 3.913 17.632 7.618 1.00 0.00 H new ATOM 0 HD2 LYS A 114 5.197 16.532 5.872 1.00 0.00 H new ATOM 0 HD3 LYS A 114 4.156 17.180 4.620 1.00 0.00 H new ATOM 0 HE2 LYS A 114 6.317 18.418 4.832 1.00 0.00 H new ATOM 0 HE3 LYS A 114 4.913 19.445 5.049 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 6.721 19.782 6.702 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 5.211 19.434 7.397 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 6.406 18.230 7.317 1.00 0.00 H new ATOM 1853 N PHE A 115 1.400 14.607 4.213 1.00 0.00 N ATOM 1854 CA PHE A 115 1.692 13.756 3.063 1.00 0.00 C ATOM 1855 C PHE A 115 0.967 14.241 1.811 1.00 0.00 C ATOM 1856 O PHE A 115 1.567 14.353 0.742 1.00 0.00 O ATOM 1857 CB PHE A 115 1.296 12.310 3.360 1.00 0.00 C ATOM 1858 CG PHE A 115 2.333 11.545 4.133 1.00 0.00 C ATOM 1859 CD1 PHE A 115 2.796 12.009 5.354 1.00 0.00 C ATOM 1860 CD2 PHE A 115 2.838 10.354 3.638 1.00 0.00 C ATOM 1861 CE1 PHE A 115 3.743 11.299 6.066 1.00 0.00 C ATOM 1862 CE2 PHE A 115 3.784 9.640 4.346 1.00 0.00 C ATOM 1863 CZ PHE A 115 4.236 10.112 5.561 1.00 0.00 C ATOM 0 H PHE A 115 0.928 14.132 4.982 1.00 0.00 H new ATOM 0 HA PHE A 115 2.765 13.808 2.878 1.00 0.00 H new ATOM 0 HB2 PHE A 115 0.362 12.307 3.921 1.00 0.00 H new ATOM 0 HB3 PHE A 115 1.104 11.795 2.419 1.00 0.00 H new ATOM 0 HD1 PHE A 115 2.412 12.936 5.753 1.00 0.00 H new ATOM 0 HD2 PHE A 115 2.488 9.980 2.687 1.00 0.00 H new ATOM 0 HE1 PHE A 115 4.097 11.671 7.016 1.00 0.00 H new ATOM 0 HE2 PHE A 115 4.170 8.713 3.949 1.00 0.00 H new ATOM 0 HZ PHE A 115 4.975 9.554 6.117 1.00 0.00 H new ATOM 1873 N LEU A 116 -0.324 14.526 1.947 1.00 0.00 N ATOM 1874 CA LEU A 116 -1.126 14.992 0.820 1.00 0.00 C ATOM 1875 C LEU A 116 -1.311 16.506 0.864 1.00 0.00 C ATOM 1876 O LEU A 116 -2.400 17.016 0.599 1.00 0.00 O ATOM 1877 CB LEU A 116 -2.490 14.298 0.814 1.00 0.00 C ATOM 1878 CG LEU A 116 -2.493 12.879 0.239 1.00 0.00 C ATOM 1879 CD1 LEU A 116 -2.292 11.856 1.344 1.00 0.00 C ATOM 1880 CD2 LEU A 116 -3.791 12.611 -0.511 1.00 0.00 C ATOM 0 H LEU A 116 -0.837 14.443 2.825 1.00 0.00 H new ATOM 0 HA LEU A 116 -0.593 14.740 -0.097 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -2.866 14.260 1.836 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -3.188 14.908 0.240 1.00 0.00 H new ATOM 0 HG LEU A 116 -1.665 12.790 -0.465 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -2.297 10.853 0.917 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -1.337 12.036 1.837 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -3.098 11.944 2.072 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -3.776 11.598 -0.913 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -4.634 12.718 0.171 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -3.893 13.325 -1.329 1.00 0.00 H new ATOM 1892 N ALA A 117 -0.242 17.221 1.201 1.00 0.00 N ATOM 1893 CA ALA A 117 -0.289 18.676 1.275 1.00 0.00 C ATOM 1894 C ALA A 117 -0.302 19.295 -0.121 1.00 0.00 C ATOM 1895 O ALA A 117 0.222 18.709 -1.070 1.00 0.00 O ATOM 1896 CB ALA A 117 0.891 19.201 2.079 1.00 0.00 C ATOM 0 H ALA A 117 0.667 16.816 1.427 1.00 0.00 H new ATOM 0 HA ALA A 117 -1.212 18.962 1.779 1.00 0.00 H new ATOM 0 HB1 ALA A 117 0.844 20.289 2.126 1.00 0.00 H new ATOM 0 HB2 ALA A 117 0.854 18.792 3.089 1.00 0.00 H new ATOM 0 HB3 ALA A 117 1.822 18.899 1.599 1.00 0.00 H new