USER MOD reduce.3.24.130724 H: found=0, std=0, add=781, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 781 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 33 ASN : amide:sc= -0.478 K(o=-0.49,f=-4.3!) USER MOD Set 1.2: A 81 LYS NZ :NH3+ -161:sc= -0.0157 (180deg=-0.369) USER MOD Set 2.1: A 3 THR OG1 : rot -155:sc= 1.19 USER MOD Set 2.2: A 20 THR OG1 : rot -130:sc= 0.886 USER MOD Set 3.1: A 16 HIS : no HE2:sc= -11.6! C(o=-11!,f=-13!) USER MOD Set 3.2: A 38 THR OG1 : rot -33:sc= 1.07 USER MOD Single : A 1 SER N :NH3+ -143:sc= 0.251 (180deg=0.0507) USER MOD Single : A 1 SER OG : rot 180:sc= 0.391 USER MOD Single : A 2 ASN : amide:sc= -0.0524 K(o=-0.052,f=-8.2!) USER MOD Single : A 5 ASN : amide:sc= -0.43 X(o=-0.43,f=-0.065) USER MOD Single : A 14 ASN : amide:sc= -3.23! C(o=-3.2!,f=-14!) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 GLN : amide:sc= -1.3 K(o=-1.3,f=-3.3!) USER MOD Single : A 26 GLN : amide:sc= -2.07! C(o=-2.1!,f=-6.1!) USER MOD Single : A 30 LYS NZ :NH3+ -148:sc= 0.433 (180deg=-1.38!) USER MOD Single : A 36 SER OG : rot 180:sc= -0.526 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 ASN :FLIP amide:sc= 0 F(o=-0.61,f=0) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0.0228 USER MOD Single : A 53 LYS NZ :NH3+ 143:sc= 0 (180deg=-0.0493) USER MOD Single : A 54 LYS NZ :NH3+ 165:sc= 1.51 (180deg=0.694) USER MOD Single : A 56 HIS :FLIP no HE2:sc= -7.9! C(o=-15!,f=-7.9!) USER MOD Single : A 59 LYS NZ :NH3+ -136:sc=-0.00455 (180deg=-1.67) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 LYS NZ :NH3+ -128:sc= 0 (180deg=-0.0809) USER MOD Single : A 70 ASN : amide:sc= -11.9! C(o=-12!,f=-12!) USER MOD Single : A 75 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ -135:sc= 0.781 (180deg=-0.453!) USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 LYS NZ :NH3+ -130:sc= 0 (180deg=-0.00985) USER MOD Single : A 91 LYS NZ :NH3+ -177:sc= 0.378! (180deg=0.319!) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 18.942 1.289 -2.613 1.00 0.00 N ATOM 2 CA SER A 1 19.876 0.336 -3.285 1.00 0.00 C ATOM 3 C SER A 1 19.189 -0.286 -4.509 1.00 0.00 C ATOM 4 O SER A 1 19.283 0.228 -5.605 1.00 0.00 O ATOM 5 CB SER A 1 20.189 -0.727 -2.224 1.00 0.00 C ATOM 6 OG SER A 1 18.971 -1.150 -1.614 1.00 0.00 O ATOM 0 H1 SER A 1 19.477 2.107 -2.258 1.00 0.00 H new ATOM 0 H2 SER A 1 18.227 1.613 -3.295 1.00 0.00 H new ATOM 0 H3 SER A 1 18.471 0.811 -1.818 1.00 0.00 H new ATOM 0 HA SER A 1 20.785 0.818 -3.645 1.00 0.00 H new ATOM 0 HB2 SER A 1 20.696 -1.577 -2.681 1.00 0.00 H new ATOM 0 HB3 SER A 1 20.865 -0.320 -1.472 1.00 0.00 H new ATOM 0 HG SER A 1 19.164 -1.831 -0.936 1.00 0.00 H new ATOM 14 N ASN A 2 18.479 -1.371 -4.326 1.00 0.00 N ATOM 15 CA ASN A 2 17.766 -2.012 -5.472 1.00 0.00 C ATOM 16 C ASN A 2 16.256 -2.003 -5.204 1.00 0.00 C ATOM 17 O ASN A 2 15.824 -1.855 -4.074 1.00 0.00 O ATOM 18 CB ASN A 2 18.297 -3.449 -5.534 1.00 0.00 C ATOM 19 CG ASN A 2 18.061 -4.030 -6.934 1.00 0.00 C ATOM 20 OD1 ASN A 2 17.199 -3.574 -7.659 1.00 0.00 O ATOM 21 ND2 ASN A 2 18.794 -5.024 -7.349 1.00 0.00 N ATOM 0 H ASN A 2 18.362 -1.842 -3.429 1.00 0.00 H new ATOM 0 HA ASN A 2 17.934 -1.488 -6.413 1.00 0.00 H new ATOM 0 HB2 ASN A 2 19.361 -3.464 -5.299 1.00 0.00 H new ATOM 0 HB3 ASN A 2 17.797 -4.064 -4.786 1.00 0.00 H new ATOM 0 HD21 ASN A 2 18.643 -5.416 -8.279 1.00 0.00 H new ATOM 0 HD22 ASN A 2 19.519 -5.410 -6.744 1.00 0.00 H new ATOM 28 N THR A 3 15.454 -2.163 -6.224 1.00 0.00 N ATOM 29 CA THR A 3 13.971 -2.164 -6.015 1.00 0.00 C ATOM 30 C THR A 3 13.511 -3.525 -5.477 1.00 0.00 C ATOM 31 O THR A 3 14.293 -4.452 -5.359 1.00 0.00 O ATOM 32 CB THR A 3 13.359 -1.884 -7.398 1.00 0.00 C ATOM 33 OG1 THR A 3 11.958 -1.677 -7.252 1.00 0.00 O ATOM 34 CG2 THR A 3 13.620 -3.065 -8.343 1.00 0.00 C ATOM 0 H THR A 3 15.757 -2.293 -7.189 1.00 0.00 H new ATOM 0 HA THR A 3 13.661 -1.416 -5.285 1.00 0.00 H new ATOM 0 HB THR A 3 13.819 -0.993 -7.825 1.00 0.00 H new ATOM 0 HG1 THR A 3 11.506 -1.890 -8.095 1.00 0.00 H new ATOM 0 HG21 THR A 3 13.182 -2.854 -9.318 1.00 0.00 H new ATOM 0 HG22 THR A 3 14.694 -3.213 -8.452 1.00 0.00 H new ATOM 0 HG23 THR A 3 13.170 -3.968 -7.930 1.00 0.00 H new ATOM 42 N ARG A 4 12.249 -3.654 -5.147 1.00 0.00 N ATOM 43 CA ARG A 4 11.746 -4.962 -4.622 1.00 0.00 C ATOM 44 C ARG A 4 10.399 -5.304 -5.268 1.00 0.00 C ATOM 45 O ARG A 4 9.476 -4.510 -5.248 1.00 0.00 O ATOM 46 CB ARG A 4 11.600 -4.764 -3.108 1.00 0.00 C ATOM 47 CG ARG A 4 12.988 -4.599 -2.470 1.00 0.00 C ATOM 48 CD ARG A 4 13.791 -5.899 -2.620 1.00 0.00 C ATOM 49 NE ARG A 4 15.223 -5.498 -2.474 1.00 0.00 N ATOM 50 CZ ARG A 4 15.890 -5.837 -1.404 1.00 0.00 C ATOM 51 NH1 ARG A 4 16.159 -7.093 -1.183 1.00 0.00 N ATOM 52 NH2 ARG A 4 16.287 -4.917 -0.563 1.00 0.00 N ATOM 0 H ARG A 4 11.549 -2.915 -5.218 1.00 0.00 H new ATOM 0 HA ARG A 4 12.421 -5.787 -4.849 1.00 0.00 H new ATOM 0 HB2 ARG A 4 10.989 -3.885 -2.904 1.00 0.00 H new ATOM 0 HB3 ARG A 4 11.086 -5.619 -2.668 1.00 0.00 H new ATOM 0 HG2 ARG A 4 13.521 -3.776 -2.946 1.00 0.00 H new ATOM 0 HG3 ARG A 4 12.885 -4.345 -1.415 1.00 0.00 H new ATOM 0 HD2 ARG A 4 13.507 -6.627 -1.860 1.00 0.00 H new ATOM 0 HD3 ARG A 4 13.610 -6.364 -3.589 1.00 0.00 H new ATOM 0 HE ARG A 4 15.679 -4.959 -3.210 1.00 0.00 H new ATOM 0 HH11 ARG A 4 15.849 -7.805 -1.844 1.00 0.00 H new ATOM 0 HH12 ARG A 4 16.680 -7.364 -0.349 1.00 0.00 H new ATOM 0 HH21 ARG A 4 16.075 -3.936 -0.743 1.00 0.00 H new ATOM 0 HH22 ARG A 4 16.808 -5.181 0.273 1.00 0.00 H new ATOM 66 N ASN A 5 10.289 -6.471 -5.857 1.00 0.00 N ATOM 67 CA ASN A 5 9.008 -6.862 -6.527 1.00 0.00 C ATOM 68 C ASN A 5 7.955 -7.281 -5.502 1.00 0.00 C ATOM 69 O ASN A 5 8.268 -7.900 -4.499 1.00 0.00 O ATOM 70 CB ASN A 5 9.353 -8.055 -7.422 1.00 0.00 C ATOM 71 CG ASN A 5 8.090 -8.505 -8.163 1.00 0.00 C ATOM 72 OD1 ASN A 5 7.864 -8.109 -9.287 1.00 0.00 O ATOM 73 ND2 ASN A 5 7.247 -9.313 -7.578 1.00 0.00 N ATOM 0 H ASN A 5 11.031 -7.170 -5.903 1.00 0.00 H new ATOM 0 HA ASN A 5 8.595 -6.025 -7.090 1.00 0.00 H new ATOM 0 HB2 ASN A 5 10.129 -7.778 -8.135 1.00 0.00 H new ATOM 0 HB3 ASN A 5 9.749 -8.874 -6.822 1.00 0.00 H new ATOM 0 HD21 ASN A 5 6.402 -9.609 -8.066 1.00 0.00 H new ATOM 0 HD22 ASN A 5 7.434 -9.648 -6.633 1.00 0.00 H new ATOM 80 N PHE A 6 6.712 -6.965 -5.773 1.00 0.00 N ATOM 81 CA PHE A 6 5.603 -7.351 -4.851 1.00 0.00 C ATOM 82 C PHE A 6 4.374 -7.785 -5.675 1.00 0.00 C ATOM 83 O PHE A 6 4.356 -7.650 -6.889 1.00 0.00 O ATOM 84 CB PHE A 6 5.327 -6.101 -4.016 1.00 0.00 C ATOM 85 CG PHE A 6 6.254 -6.094 -2.817 1.00 0.00 C ATOM 86 CD1 PHE A 6 5.889 -6.762 -1.639 1.00 0.00 C ATOM 87 CD2 PHE A 6 7.480 -5.415 -2.882 1.00 0.00 C ATOM 88 CE1 PHE A 6 6.746 -6.749 -0.533 1.00 0.00 C ATOM 89 CE2 PHE A 6 8.334 -5.402 -1.773 1.00 0.00 C ATOM 90 CZ PHE A 6 7.967 -6.068 -0.600 1.00 0.00 C ATOM 0 H PHE A 6 6.417 -6.451 -6.603 1.00 0.00 H new ATOM 0 HA PHE A 6 5.852 -8.195 -4.208 1.00 0.00 H new ATOM 0 HB2 PHE A 6 5.482 -5.205 -4.617 1.00 0.00 H new ATOM 0 HB3 PHE A 6 4.287 -6.089 -3.688 1.00 0.00 H new ATOM 0 HD1 PHE A 6 4.946 -7.286 -1.586 1.00 0.00 H new ATOM 0 HD2 PHE A 6 7.765 -4.902 -3.789 1.00 0.00 H new ATOM 0 HE1 PHE A 6 6.465 -7.265 0.373 1.00 0.00 H new ATOM 0 HE2 PHE A 6 9.277 -4.877 -1.824 1.00 0.00 H new ATOM 0 HZ PHE A 6 8.626 -6.057 0.255 1.00 0.00 H new ATOM 100 N VAL A 7 3.364 -8.340 -5.036 1.00 0.00 N ATOM 101 CA VAL A 7 2.160 -8.832 -5.798 1.00 0.00 C ATOM 102 C VAL A 7 0.835 -8.499 -5.074 1.00 0.00 C ATOM 103 O VAL A 7 0.678 -8.768 -3.892 1.00 0.00 O ATOM 104 CB VAL A 7 2.360 -10.357 -5.860 1.00 0.00 C ATOM 105 CG1 VAL A 7 3.409 -10.695 -6.922 1.00 0.00 C ATOM 106 CG2 VAL A 7 2.845 -10.879 -4.493 1.00 0.00 C ATOM 0 H VAL A 7 3.320 -8.474 -4.026 1.00 0.00 H new ATOM 0 HA VAL A 7 2.085 -8.361 -6.778 1.00 0.00 H new ATOM 0 HB VAL A 7 1.410 -10.828 -6.114 1.00 0.00 H new ATOM 0 HG11 VAL A 7 3.549 -11.775 -6.964 1.00 0.00 H new ATOM 0 HG12 VAL A 7 3.072 -10.335 -7.894 1.00 0.00 H new ATOM 0 HG13 VAL A 7 4.354 -10.216 -6.665 1.00 0.00 H new ATOM 0 HG21 VAL A 7 2.984 -11.959 -4.544 1.00 0.00 H new ATOM 0 HG22 VAL A 7 3.791 -10.403 -4.237 1.00 0.00 H new ATOM 0 HG23 VAL A 7 2.103 -10.645 -3.730 1.00 0.00 H new ATOM 116 N LEU A 8 -0.127 -7.926 -5.777 1.00 0.00 N ATOM 117 CA LEU A 8 -1.442 -7.576 -5.120 1.00 0.00 C ATOM 118 C LEU A 8 -2.634 -7.646 -6.116 1.00 0.00 C ATOM 119 O LEU A 8 -2.451 -7.628 -7.321 1.00 0.00 O ATOM 120 CB LEU A 8 -1.246 -6.141 -4.601 1.00 0.00 C ATOM 121 CG LEU A 8 -0.529 -5.284 -5.654 1.00 0.00 C ATOM 122 CD1 LEU A 8 -1.142 -3.888 -5.683 1.00 0.00 C ATOM 123 CD2 LEU A 8 0.957 -5.169 -5.304 1.00 0.00 C ATOM 0 H LEU A 8 -0.060 -7.688 -6.767 1.00 0.00 H new ATOM 0 HA LEU A 8 -1.690 -8.281 -4.327 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -2.213 -5.699 -4.361 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -0.665 -6.157 -3.679 1.00 0.00 H new ATOM 0 HG LEU A 8 -0.640 -5.756 -6.630 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -0.631 -3.282 -6.431 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -2.200 -3.960 -5.935 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -1.034 -3.423 -4.703 1.00 0.00 H new ATOM 0 HD21 LEU A 8 1.461 -4.560 -6.054 1.00 0.00 H new ATOM 0 HD22 LEU A 8 1.065 -4.702 -4.325 1.00 0.00 H new ATOM 0 HD23 LEU A 8 1.404 -6.163 -5.283 1.00 0.00 H new ATOM 135 N ARG A 9 -3.859 -7.726 -5.607 1.00 0.00 N ATOM 136 CA ARG A 9 -5.071 -7.799 -6.507 1.00 0.00 C ATOM 137 C ARG A 9 -6.268 -7.000 -5.919 1.00 0.00 C ATOM 138 O ARG A 9 -6.984 -7.484 -5.070 1.00 0.00 O ATOM 139 CB ARG A 9 -5.403 -9.296 -6.581 1.00 0.00 C ATOM 140 CG ARG A 9 -6.647 -9.521 -7.452 1.00 0.00 C ATOM 141 CD ARG A 9 -6.275 -9.396 -8.933 1.00 0.00 C ATOM 142 NE ARG A 9 -7.577 -9.242 -9.645 1.00 0.00 N ATOM 143 CZ ARG A 9 -8.141 -10.267 -10.210 1.00 0.00 C ATOM 144 NH1 ARG A 9 -7.772 -10.625 -11.408 1.00 0.00 N ATOM 145 NH2 ARG A 9 -9.073 -10.928 -9.576 1.00 0.00 N ATOM 0 H ARG A 9 -4.067 -7.744 -4.609 1.00 0.00 H new ATOM 0 HA ARG A 9 -4.876 -7.362 -7.486 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -4.556 -9.844 -6.995 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -5.576 -9.687 -5.579 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -7.066 -10.508 -7.255 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -7.416 -8.792 -7.198 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -5.626 -8.537 -9.106 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -5.737 -10.278 -9.281 1.00 0.00 H new ATOM 0 HE ARG A 9 -8.027 -8.327 -9.688 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -7.045 -10.101 -11.895 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -8.210 -11.429 -11.858 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -9.356 -10.639 -8.640 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -9.517 -11.733 -10.017 1.00 0.00 H new ATOM 159 N ASP A 10 -6.480 -5.790 -6.397 1.00 0.00 N ATOM 160 CA ASP A 10 -7.605 -4.897 -5.941 1.00 0.00 C ATOM 161 C ASP A 10 -8.900 -5.290 -6.634 1.00 0.00 C ATOM 162 O ASP A 10 -9.156 -6.463 -6.833 1.00 0.00 O ATOM 163 CB ASP A 10 -7.201 -3.494 -6.359 1.00 0.00 C ATOM 164 CG ASP A 10 -7.965 -2.424 -5.585 1.00 0.00 C ATOM 165 OD1 ASP A 10 -7.911 -2.427 -4.371 1.00 0.00 O ATOM 166 OD2 ASP A 10 -8.583 -1.608 -6.242 1.00 0.00 O ATOM 0 H ASP A 10 -5.893 -5.368 -7.116 1.00 0.00 H new ATOM 0 HA ASP A 10 -7.772 -4.973 -4.867 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -6.131 -3.362 -6.199 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -7.382 -3.368 -7.426 1.00 0.00 H new ATOM 171 N GLU A 11 -9.769 -4.329 -6.919 1.00 0.00 N ATOM 172 CA GLU A 11 -11.085 -4.666 -7.515 1.00 0.00 C ATOM 173 C GLU A 11 -11.840 -5.328 -6.389 1.00 0.00 C ATOM 174 O GLU A 11 -12.301 -6.451 -6.473 1.00 0.00 O ATOM 175 CB GLU A 11 -10.840 -5.623 -8.703 1.00 0.00 C ATOM 176 CG GLU A 11 -9.852 -4.990 -9.698 1.00 0.00 C ATOM 177 CD GLU A 11 -8.573 -5.830 -9.778 1.00 0.00 C ATOM 178 OE1 GLU A 11 -8.675 -7.020 -10.040 1.00 0.00 O ATOM 179 OE2 GLU A 11 -7.510 -5.269 -9.584 1.00 0.00 O ATOM 0 H GLU A 11 -9.608 -3.335 -6.759 1.00 0.00 H new ATOM 0 HA GLU A 11 -11.644 -3.815 -7.904 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -10.445 -6.572 -8.340 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -11.783 -5.841 -9.204 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -10.312 -4.919 -10.684 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -9.610 -3.974 -9.386 1.00 0.00 H new ATOM 186 N ASP A 12 -11.911 -4.578 -5.305 1.00 0.00 N ATOM 187 CA ASP A 12 -12.569 -4.996 -4.059 1.00 0.00 C ATOM 188 C ASP A 12 -11.827 -6.148 -3.388 1.00 0.00 C ATOM 189 O ASP A 12 -12.249 -6.632 -2.356 1.00 0.00 O ATOM 190 CB ASP A 12 -13.938 -5.448 -4.481 1.00 0.00 C ATOM 191 CG ASP A 12 -14.942 -4.296 -4.352 1.00 0.00 C ATOM 192 OD1 ASP A 12 -14.638 -3.208 -4.816 1.00 0.00 O ATOM 193 OD2 ASP A 12 -16.000 -4.523 -3.792 1.00 0.00 O ATOM 0 H ASP A 12 -11.509 -3.642 -5.254 1.00 0.00 H new ATOM 0 HA ASP A 12 -12.593 -4.183 -3.333 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -13.910 -5.801 -5.512 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -14.257 -6.288 -3.864 1.00 0.00 H new ATOM 198 N GLY A 13 -10.728 -6.611 -3.935 1.00 0.00 N ATOM 199 CA GLY A 13 -10.022 -7.714 -3.253 1.00 0.00 C ATOM 200 C GLY A 13 -8.926 -7.133 -2.370 1.00 0.00 C ATOM 201 O GLY A 13 -9.047 -7.059 -1.166 1.00 0.00 O ATOM 0 H GLY A 13 -10.307 -6.277 -4.802 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -10.722 -8.293 -2.651 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -9.592 -8.396 -3.987 1.00 0.00 H new ATOM 205 N ASN A 14 -7.841 -6.747 -2.977 1.00 0.00 N ATOM 206 CA ASN A 14 -6.698 -6.174 -2.192 1.00 0.00 C ATOM 207 C ASN A 14 -6.227 -4.787 -2.696 1.00 0.00 C ATOM 208 O ASN A 14 -6.537 -3.760 -2.133 1.00 0.00 O ATOM 209 CB ASN A 14 -5.581 -7.216 -2.342 1.00 0.00 C ATOM 210 CG ASN A 14 -5.687 -8.266 -1.233 1.00 0.00 C ATOM 211 OD1 ASN A 14 -4.813 -8.376 -0.396 1.00 0.00 O ATOM 212 ND2 ASN A 14 -6.717 -9.061 -1.196 1.00 0.00 N ATOM 0 H ASN A 14 -7.689 -6.801 -3.984 1.00 0.00 H new ATOM 0 HA ASN A 14 -6.993 -5.993 -1.158 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -5.651 -7.698 -3.317 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -4.608 -6.726 -2.298 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -6.787 -9.771 -0.467 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -7.454 -8.974 -1.896 1.00 0.00 H new ATOM 219 N GLU A 15 -5.436 -4.805 -3.748 1.00 0.00 N ATOM 220 CA GLU A 15 -4.837 -3.572 -4.380 1.00 0.00 C ATOM 221 C GLU A 15 -4.255 -4.058 -5.711 1.00 0.00 C ATOM 222 O GLU A 15 -3.750 -5.157 -5.759 1.00 0.00 O ATOM 223 CB GLU A 15 -3.737 -3.122 -3.396 1.00 0.00 C ATOM 224 CG GLU A 15 -2.920 -1.943 -3.945 1.00 0.00 C ATOM 225 CD GLU A 15 -1.642 -1.755 -3.104 1.00 0.00 C ATOM 226 OE1 GLU A 15 -0.912 -2.720 -2.924 1.00 0.00 O ATOM 227 OE2 GLU A 15 -1.416 -0.650 -2.643 1.00 0.00 O ATOM 0 H GLU A 15 -5.167 -5.669 -4.219 1.00 0.00 H new ATOM 0 HA GLU A 15 -5.521 -2.744 -4.564 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -4.193 -2.836 -2.448 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -3.071 -3.960 -3.189 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -2.657 -2.125 -4.987 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -3.518 -1.032 -3.922 1.00 0.00 H new ATOM 234 N HIS A 16 -4.357 -3.343 -6.815 1.00 0.00 N ATOM 235 CA HIS A 16 -3.818 -3.977 -8.063 1.00 0.00 C ATOM 236 C HIS A 16 -2.560 -3.361 -8.606 1.00 0.00 C ATOM 237 O HIS A 16 -2.480 -2.204 -8.966 1.00 0.00 O ATOM 238 CB HIS A 16 -4.901 -4.052 -9.132 1.00 0.00 C ATOM 239 CG HIS A 16 -5.681 -2.768 -9.356 1.00 0.00 C ATOM 240 ND1 HIS A 16 -5.916 -2.306 -10.660 1.00 0.00 N ATOM 241 CD2 HIS A 16 -6.372 -1.894 -8.525 1.00 0.00 C ATOM 242 CE1 HIS A 16 -6.715 -1.227 -10.579 1.00 0.00 C ATOM 243 NE2 HIS A 16 -7.005 -0.959 -9.319 1.00 0.00 N ATOM 0 H HIS A 16 -4.762 -2.411 -6.905 1.00 0.00 H new ATOM 0 HA HIS A 16 -3.519 -4.982 -7.766 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -4.439 -4.346 -10.074 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -5.602 -4.841 -8.861 1.00 0.00 H new ATOM 0 HD1 HIS A 16 -5.546 -2.716 -11.518 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -6.407 -1.939 -7.447 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -7.070 -0.659 -11.426 1.00 0.00 H new ATOM 252 N GLY A 17 -1.583 -4.197 -8.681 1.00 0.00 N ATOM 253 CA GLY A 17 -0.262 -3.802 -9.215 1.00 0.00 C ATOM 254 C GLY A 17 0.681 -5.003 -9.186 1.00 0.00 C ATOM 255 O GLY A 17 0.852 -5.638 -8.166 1.00 0.00 O ATOM 0 H GLY A 17 -1.644 -5.171 -8.385 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -0.366 -3.433 -10.235 1.00 0.00 H new ATOM 0 HA3 GLY A 17 0.152 -2.987 -8.622 1.00 0.00 H new ATOM 259 N VAL A 18 1.329 -5.295 -10.273 1.00 0.00 N ATOM 260 CA VAL A 18 2.304 -6.425 -10.276 1.00 0.00 C ATOM 261 C VAL A 18 3.648 -5.868 -10.736 1.00 0.00 C ATOM 262 O VAL A 18 3.919 -5.746 -11.917 1.00 0.00 O ATOM 263 CB VAL A 18 1.821 -7.467 -11.278 1.00 0.00 C ATOM 264 CG1 VAL A 18 1.571 -8.794 -10.559 1.00 0.00 C ATOM 265 CG2 VAL A 18 0.532 -7.025 -11.986 1.00 0.00 C ATOM 0 H VAL A 18 1.229 -4.804 -11.161 1.00 0.00 H new ATOM 0 HA VAL A 18 2.396 -6.877 -9.289 1.00 0.00 H new ATOM 0 HB VAL A 18 2.598 -7.585 -12.033 1.00 0.00 H new ATOM 0 HG11 VAL A 18 1.226 -9.538 -11.277 1.00 0.00 H new ATOM 0 HG12 VAL A 18 2.497 -9.138 -10.097 1.00 0.00 H new ATOM 0 HG13 VAL A 18 0.812 -8.653 -9.789 1.00 0.00 H new ATOM 0 HG21 VAL A 18 0.222 -7.796 -12.692 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -0.255 -6.871 -11.247 1.00 0.00 H new ATOM 0 HG23 VAL A 18 0.713 -6.094 -12.523 1.00 0.00 H new ATOM 275 N PHE A 19 4.465 -5.503 -9.804 1.00 0.00 N ATOM 276 CA PHE A 19 5.804 -4.906 -10.133 1.00 0.00 C ATOM 277 C PHE A 19 6.616 -4.660 -8.851 1.00 0.00 C ATOM 278 O PHE A 19 6.260 -5.117 -7.779 1.00 0.00 O ATOM 279 CB PHE A 19 5.557 -3.572 -10.888 1.00 0.00 C ATOM 280 CG PHE A 19 4.209 -2.953 -10.559 1.00 0.00 C ATOM 281 CD1 PHE A 19 3.676 -3.043 -9.268 1.00 0.00 C ATOM 282 CD2 PHE A 19 3.497 -2.277 -11.559 1.00 0.00 C ATOM 283 CE1 PHE A 19 2.439 -2.466 -8.979 1.00 0.00 C ATOM 284 CE2 PHE A 19 2.258 -1.694 -11.268 1.00 0.00 C ATOM 285 CZ PHE A 19 1.728 -1.790 -9.976 1.00 0.00 C ATOM 0 H PHE A 19 4.271 -5.589 -8.806 1.00 0.00 H new ATOM 0 HA PHE A 19 6.379 -5.591 -10.757 1.00 0.00 H new ATOM 0 HB2 PHE A 19 6.348 -2.865 -10.637 1.00 0.00 H new ATOM 0 HB3 PHE A 19 5.618 -3.750 -11.962 1.00 0.00 H new ATOM 0 HD1 PHE A 19 4.223 -3.560 -8.494 1.00 0.00 H new ATOM 0 HD2 PHE A 19 3.905 -2.206 -12.556 1.00 0.00 H new ATOM 0 HE1 PHE A 19 2.029 -2.542 -7.983 1.00 0.00 H new ATOM 0 HE2 PHE A 19 1.712 -1.171 -12.039 1.00 0.00 H new ATOM 0 HZ PHE A 19 0.771 -1.343 -9.749 1.00 0.00 H new ATOM 295 N THR A 20 7.713 -3.947 -8.961 1.00 0.00 N ATOM 296 CA THR A 20 8.563 -3.672 -7.760 1.00 0.00 C ATOM 297 C THR A 20 8.406 -2.217 -7.278 1.00 0.00 C ATOM 298 O THR A 20 8.163 -1.319 -8.062 1.00 0.00 O ATOM 299 CB THR A 20 10.016 -3.926 -8.216 1.00 0.00 C ATOM 300 OG1 THR A 20 10.542 -2.764 -8.868 1.00 0.00 O ATOM 301 CG2 THR A 20 10.078 -5.118 -9.180 1.00 0.00 C ATOM 0 H THR A 20 8.056 -3.544 -9.833 1.00 0.00 H new ATOM 0 HA THR A 20 8.274 -4.308 -6.923 1.00 0.00 H new ATOM 0 HB THR A 20 10.614 -4.149 -7.332 1.00 0.00 H new ATOM 0 HG1 THR A 20 10.942 -3.022 -9.725 1.00 0.00 H new ATOM 0 HG21 THR A 20 11.110 -5.282 -9.490 1.00 0.00 H new ATOM 0 HG22 THR A 20 9.704 -6.011 -8.679 1.00 0.00 H new ATOM 0 HG23 THR A 20 9.464 -4.910 -10.056 1.00 0.00 H new ATOM 309 N GLY A 21 8.576 -1.987 -5.996 1.00 0.00 N ATOM 310 CA GLY A 21 8.474 -0.597 -5.441 1.00 0.00 C ATOM 311 C GLY A 21 9.705 -0.324 -4.575 1.00 0.00 C ATOM 312 O GLY A 21 10.029 -1.098 -3.693 1.00 0.00 O ATOM 0 H GLY A 21 8.783 -2.708 -5.305 1.00 0.00 H new ATOM 0 HA2 GLY A 21 8.413 0.130 -6.251 1.00 0.00 H new ATOM 0 HA3 GLY A 21 7.565 -0.492 -4.849 1.00 0.00 H new ATOM 316 N LYS A 22 10.388 0.769 -4.809 1.00 0.00 N ATOM 317 CA LYS A 22 11.592 1.094 -3.977 1.00 0.00 C ATOM 318 C LYS A 22 11.158 1.243 -2.518 1.00 0.00 C ATOM 319 O LYS A 22 11.690 0.606 -1.630 1.00 0.00 O ATOM 320 CB LYS A 22 12.120 2.427 -4.517 1.00 0.00 C ATOM 321 CG LYS A 22 13.073 2.171 -5.687 1.00 0.00 C ATOM 322 CD LYS A 22 13.109 3.404 -6.595 1.00 0.00 C ATOM 323 CE LYS A 22 12.685 3.011 -8.015 1.00 0.00 C ATOM 324 NZ LYS A 22 13.897 2.394 -8.634 1.00 0.00 N ATOM 0 H LYS A 22 10.167 1.449 -5.536 1.00 0.00 H new ATOM 0 HA LYS A 22 12.358 0.320 -4.025 1.00 0.00 H new ATOM 0 HB2 LYS A 22 11.289 3.053 -4.843 1.00 0.00 H new ATOM 0 HB3 LYS A 22 12.638 2.971 -3.727 1.00 0.00 H new ATOM 0 HG2 LYS A 22 14.073 1.952 -5.314 1.00 0.00 H new ATOM 0 HG3 LYS A 22 12.745 1.299 -6.253 1.00 0.00 H new ATOM 0 HD2 LYS A 22 12.443 4.174 -6.206 1.00 0.00 H new ATOM 0 HD3 LYS A 22 14.113 3.828 -6.609 1.00 0.00 H new ATOM 0 HE2 LYS A 22 11.852 2.308 -7.996 1.00 0.00 H new ATOM 0 HE3 LYS A 22 12.354 3.882 -8.582 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 13.679 2.101 -9.608 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 14.672 3.088 -8.646 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 14.185 1.563 -8.079 1.00 0.00 H new ATOM 338 N GLN A 23 10.175 2.069 -2.278 1.00 0.00 N ATOM 339 CA GLN A 23 9.664 2.261 -0.895 1.00 0.00 C ATOM 340 C GLN A 23 8.306 1.562 -0.781 1.00 0.00 C ATOM 341 O GLN A 23 7.303 2.100 -1.203 1.00 0.00 O ATOM 342 CB GLN A 23 9.513 3.780 -0.730 1.00 0.00 C ATOM 343 CG GLN A 23 10.740 4.358 -0.010 1.00 0.00 C ATOM 344 CD GLN A 23 12.025 3.952 -0.743 1.00 0.00 C ATOM 345 OE1 GLN A 23 12.164 4.177 -1.929 1.00 0.00 O ATOM 346 NE2 GLN A 23 12.980 3.365 -0.078 1.00 0.00 N ATOM 0 H GLN A 23 9.701 2.624 -2.991 1.00 0.00 H new ATOM 0 HA GLN A 23 10.320 1.848 -0.129 1.00 0.00 H new ATOM 0 HB2 GLN A 23 9.400 4.250 -1.707 1.00 0.00 H new ATOM 0 HB3 GLN A 23 8.610 4.004 -0.162 1.00 0.00 H new ATOM 0 HG2 GLN A 23 10.666 5.445 0.035 1.00 0.00 H new ATOM 0 HG3 GLN A 23 10.770 3.998 1.018 1.00 0.00 H new ATOM 0 HE21 GLN A 23 12.866 3.175 0.918 1.00 0.00 H new ATOM 0 HE22 GLN A 23 13.841 3.096 -0.553 1.00 0.00 H new ATOM 355 N PRO A 24 8.311 0.375 -0.224 1.00 0.00 N ATOM 356 CA PRO A 24 7.049 -0.400 -0.081 1.00 0.00 C ATOM 357 C PRO A 24 6.036 0.380 0.764 1.00 0.00 C ATOM 358 O PRO A 24 4.841 0.260 0.579 1.00 0.00 O ATOM 359 CB PRO A 24 7.505 -1.701 0.590 1.00 0.00 C ATOM 360 CG PRO A 24 8.789 -1.338 1.263 1.00 0.00 C ATOM 361 CD PRO A 24 9.455 -0.348 0.345 1.00 0.00 C ATOM 0 HA PRO A 24 6.537 -0.592 -1.024 1.00 0.00 H new ATOM 0 HB2 PRO A 24 6.767 -2.059 1.308 1.00 0.00 H new ATOM 0 HB3 PRO A 24 7.650 -2.496 -0.141 1.00 0.00 H new ATOM 0 HG2 PRO A 24 8.608 -0.903 2.246 1.00 0.00 H new ATOM 0 HG3 PRO A 24 9.416 -2.217 1.414 1.00 0.00 H new ATOM 0 HD2 PRO A 24 10.128 0.318 0.885 1.00 0.00 H new ATOM 0 HD3 PRO A 24 10.047 -0.843 -0.425 1.00 0.00 H new ATOM 369 N ARG A 25 6.505 1.197 1.668 1.00 0.00 N ATOM 370 CA ARG A 25 5.571 2.007 2.496 1.00 0.00 C ATOM 371 C ARG A 25 5.183 3.296 1.742 1.00 0.00 C ATOM 372 O ARG A 25 4.028 3.522 1.455 1.00 0.00 O ATOM 373 CB ARG A 25 6.337 2.319 3.792 1.00 0.00 C ATOM 374 CG ARG A 25 5.927 1.318 4.886 1.00 0.00 C ATOM 375 CD ARG A 25 7.163 0.872 5.686 1.00 0.00 C ATOM 376 NE ARG A 25 7.129 -0.626 5.673 1.00 0.00 N ATOM 377 CZ ARG A 25 7.674 -1.310 6.648 1.00 0.00 C ATOM 378 NH1 ARG A 25 7.106 -1.331 7.827 1.00 0.00 N ATOM 379 NH2 ARG A 25 8.786 -1.963 6.441 1.00 0.00 N ATOM 0 H ARG A 25 7.495 1.337 1.868 1.00 0.00 H new ATOM 0 HA ARG A 25 4.641 1.481 2.711 1.00 0.00 H new ATOM 0 HB2 ARG A 25 7.411 2.260 3.615 1.00 0.00 H new ATOM 0 HB3 ARG A 25 6.123 3.337 4.117 1.00 0.00 H new ATOM 0 HG2 ARG A 25 5.198 1.776 5.554 1.00 0.00 H new ATOM 0 HG3 ARG A 25 5.445 0.451 4.434 1.00 0.00 H new ATOM 0 HD2 ARG A 25 8.080 1.248 5.233 1.00 0.00 H new ATOM 0 HD3 ARG A 25 7.130 1.256 6.705 1.00 0.00 H new ATOM 0 HE ARG A 25 6.679 -1.116 4.900 1.00 0.00 H new ATOM 0 HH11 ARG A 25 6.240 -0.815 7.985 1.00 0.00 H new ATOM 0 HH12 ARG A 25 7.529 -1.863 8.587 1.00 0.00 H new ATOM 0 HH21 ARG A 25 9.228 -1.939 5.522 1.00 0.00 H new ATOM 0 HH22 ARG A 25 9.213 -2.496 7.198 1.00 0.00 H new ATOM 393 N GLN A 26 6.133 4.143 1.426 1.00 0.00 N ATOM 394 CA GLN A 26 5.804 5.424 0.705 1.00 0.00 C ATOM 395 C GLN A 26 5.271 5.177 -0.711 1.00 0.00 C ATOM 396 O GLN A 26 4.325 5.822 -1.128 1.00 0.00 O ATOM 397 CB GLN A 26 7.120 6.211 0.651 1.00 0.00 C ATOM 398 CG GLN A 26 6.941 7.479 -0.198 1.00 0.00 C ATOM 399 CD GLN A 26 7.223 7.167 -1.673 1.00 0.00 C ATOM 400 OE1 GLN A 26 8.009 6.295 -1.983 1.00 0.00 O ATOM 401 NE2 GLN A 26 6.615 7.850 -2.600 1.00 0.00 N ATOM 0 H GLN A 26 7.122 4.007 1.634 1.00 0.00 H new ATOM 0 HA GLN A 26 5.014 5.965 1.226 1.00 0.00 H new ATOM 0 HB2 GLN A 26 7.434 6.480 1.660 1.00 0.00 H new ATOM 0 HB3 GLN A 26 7.908 5.588 0.228 1.00 0.00 H new ATOM 0 HG2 GLN A 26 5.926 7.861 -0.086 1.00 0.00 H new ATOM 0 HG3 GLN A 26 7.616 8.260 0.153 1.00 0.00 H new ATOM 0 HE21 GLN A 26 5.954 8.583 -2.343 1.00 0.00 H new ATOM 0 HE22 GLN A 26 6.800 7.652 -3.583 1.00 0.00 H new ATOM 410 N ALA A 27 5.852 4.278 -1.466 1.00 0.00 N ATOM 411 CA ALA A 27 5.340 4.052 -2.838 1.00 0.00 C ATOM 412 C ALA A 27 4.002 3.304 -2.779 1.00 0.00 C ATOM 413 O ALA A 27 3.253 3.298 -3.734 1.00 0.00 O ATOM 414 CB ALA A 27 6.428 3.234 -3.531 1.00 0.00 C ATOM 0 H ALA A 27 6.647 3.702 -1.191 1.00 0.00 H new ATOM 0 HA ALA A 27 5.143 4.977 -3.380 1.00 0.00 H new ATOM 0 HB1 ALA A 27 6.126 3.023 -4.557 1.00 0.00 H new ATOM 0 HB2 ALA A 27 7.360 3.799 -3.536 1.00 0.00 H new ATOM 0 HB3 ALA A 27 6.575 2.296 -2.995 1.00 0.00 H new ATOM 420 N ALA A 28 3.687 2.682 -1.658 1.00 0.00 N ATOM 421 CA ALA A 28 2.390 1.944 -1.543 1.00 0.00 C ATOM 422 C ALA A 28 1.203 2.870 -1.725 1.00 0.00 C ATOM 423 O ALA A 28 0.322 2.614 -2.524 1.00 0.00 O ATOM 424 CB ALA A 28 2.358 1.381 -0.126 1.00 0.00 C ATOM 0 H ALA A 28 4.274 2.657 -0.824 1.00 0.00 H new ATOM 0 HA ALA A 28 2.324 1.173 -2.311 1.00 0.00 H new ATOM 0 HB1 ALA A 28 1.431 0.827 0.025 1.00 0.00 H new ATOM 0 HB2 ALA A 28 3.207 0.713 0.020 1.00 0.00 H new ATOM 0 HB3 ALA A 28 2.413 2.199 0.592 1.00 0.00 H new ATOM 430 N LEU A 29 1.155 3.932 -0.980 1.00 0.00 N ATOM 431 CA LEU A 29 -0.005 4.849 -1.119 1.00 0.00 C ATOM 432 C LEU A 29 0.030 5.411 -2.529 1.00 0.00 C ATOM 433 O LEU A 29 -0.900 5.262 -3.291 1.00 0.00 O ATOM 434 CB LEU A 29 0.146 5.984 -0.087 1.00 0.00 C ATOM 435 CG LEU A 29 0.757 5.525 1.258 1.00 0.00 C ATOM 436 CD1 LEU A 29 0.502 4.034 1.542 1.00 0.00 C ATOM 437 CD2 LEU A 29 2.259 5.812 1.242 1.00 0.00 C ATOM 0 H LEU A 29 1.856 4.204 -0.291 1.00 0.00 H new ATOM 0 HA LEU A 29 -0.951 4.336 -0.945 1.00 0.00 H new ATOM 0 HB2 LEU A 29 0.773 6.768 -0.512 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -0.833 6.425 0.101 1.00 0.00 H new ATOM 0 HG LEU A 29 0.272 6.083 2.059 1.00 0.00 H new ATOM 0 HD11 LEU A 29 0.951 3.764 2.498 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -0.572 3.849 1.581 1.00 0.00 H new ATOM 0 HD13 LEU A 29 0.945 3.432 0.749 1.00 0.00 H new ATOM 0 HD21 LEU A 29 2.701 5.492 2.186 1.00 0.00 H new ATOM 0 HD22 LEU A 29 2.725 5.267 0.421 1.00 0.00 H new ATOM 0 HD23 LEU A 29 2.424 6.881 1.108 1.00 0.00 H new ATOM 449 N LYS A 30 1.122 6.031 -2.879 1.00 0.00 N ATOM 450 CA LYS A 30 1.252 6.603 -4.266 1.00 0.00 C ATOM 451 C LYS A 30 0.834 5.566 -5.332 1.00 0.00 C ATOM 452 O LYS A 30 0.131 5.883 -6.288 1.00 0.00 O ATOM 453 CB LYS A 30 2.738 6.948 -4.418 1.00 0.00 C ATOM 454 CG LYS A 30 2.977 8.419 -4.059 1.00 0.00 C ATOM 455 CD LYS A 30 3.187 8.556 -2.547 1.00 0.00 C ATOM 456 CE LYS A 30 1.903 9.076 -1.898 1.00 0.00 C ATOM 457 NZ LYS A 30 2.097 8.918 -0.432 1.00 0.00 N ATOM 0 H LYS A 30 1.931 6.171 -2.274 1.00 0.00 H new ATOM 0 HA LYS A 30 0.608 7.472 -4.405 1.00 0.00 H new ATOM 0 HB2 LYS A 30 3.336 6.306 -3.771 1.00 0.00 H new ATOM 0 HB3 LYS A 30 3.060 6.758 -5.442 1.00 0.00 H new ATOM 0 HG2 LYS A 30 3.850 8.796 -4.592 1.00 0.00 H new ATOM 0 HG3 LYS A 30 2.126 9.023 -4.374 1.00 0.00 H new ATOM 0 HD2 LYS A 30 3.459 7.592 -2.118 1.00 0.00 H new ATOM 0 HD3 LYS A 30 4.012 9.239 -2.344 1.00 0.00 H new ATOM 0 HE2 LYS A 30 1.728 10.120 -2.159 1.00 0.00 H new ATOM 0 HE3 LYS A 30 1.036 8.512 -2.241 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 1.181 8.723 0.020 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 2.748 8.127 -0.251 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 2.498 9.793 -0.039 1.00 0.00 H new ATOM 471 N ALA A 31 1.272 4.340 -5.182 1.00 0.00 N ATOM 472 CA ALA A 31 0.929 3.281 -6.183 1.00 0.00 C ATOM 473 C ALA A 31 -0.582 3.157 -6.390 1.00 0.00 C ATOM 474 O ALA A 31 -1.049 3.024 -7.510 1.00 0.00 O ATOM 475 CB ALA A 31 1.501 1.980 -5.605 1.00 0.00 C ATOM 0 H ALA A 31 1.855 4.026 -4.406 1.00 0.00 H new ATOM 0 HA ALA A 31 1.344 3.519 -7.162 1.00 0.00 H new ATOM 0 HB1 ALA A 31 1.288 1.155 -6.285 1.00 0.00 H new ATOM 0 HB2 ALA A 31 2.579 2.080 -5.482 1.00 0.00 H new ATOM 0 HB3 ALA A 31 1.042 1.779 -4.637 1.00 0.00 H new ATOM 481 N ALA A 32 -1.360 3.186 -5.343 1.00 0.00 N ATOM 482 CA ALA A 32 -2.838 3.056 -5.534 1.00 0.00 C ATOM 483 C ALA A 32 -3.414 4.316 -6.126 1.00 0.00 C ATOM 484 O ALA A 32 -4.408 4.259 -6.825 1.00 0.00 O ATOM 485 CB ALA A 32 -3.425 2.825 -4.165 1.00 0.00 C ATOM 0 H ALA A 32 -1.047 3.292 -4.378 1.00 0.00 H new ATOM 0 HA ALA A 32 -3.068 2.238 -6.217 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -4.507 2.723 -4.246 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -3.005 1.914 -3.738 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -3.188 3.671 -3.520 1.00 0.00 H new ATOM 491 N ASN A 33 -2.786 5.444 -5.865 1.00 0.00 N ATOM 492 CA ASN A 33 -3.283 6.739 -6.418 1.00 0.00 C ATOM 493 C ASN A 33 -3.755 6.504 -7.839 1.00 0.00 C ATOM 494 O ASN A 33 -4.826 6.928 -8.234 1.00 0.00 O ATOM 495 CB ASN A 33 -2.073 7.683 -6.402 1.00 0.00 C ATOM 496 CG ASN A 33 -2.503 9.096 -6.805 1.00 0.00 C ATOM 497 OD1 ASN A 33 -2.689 9.950 -5.961 1.00 0.00 O ATOM 498 ND2 ASN A 33 -2.654 9.391 -8.067 1.00 0.00 N ATOM 0 H ASN A 33 -1.947 5.517 -5.289 1.00 0.00 H new ATOM 0 HA ASN A 33 -4.113 7.156 -5.847 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -1.628 7.700 -5.407 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -1.308 7.318 -7.087 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -2.927 10.335 -8.341 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -2.499 8.678 -8.780 1.00 0.00 H new ATOM 505 N ARG A 34 -2.953 5.820 -8.609 1.00 0.00 N ATOM 506 CA ARG A 34 -3.358 5.542 -10.010 1.00 0.00 C ATOM 507 C ARG A 34 -4.038 4.162 -10.178 1.00 0.00 C ATOM 508 O ARG A 34 -5.225 4.076 -10.427 1.00 0.00 O ATOM 509 CB ARG A 34 -2.055 5.603 -10.817 1.00 0.00 C ATOM 510 CG ARG A 34 -2.048 6.862 -11.690 1.00 0.00 C ATOM 511 CD ARG A 34 -3.139 6.749 -12.760 1.00 0.00 C ATOM 512 NE ARG A 34 -2.948 7.943 -13.628 1.00 0.00 N ATOM 513 CZ ARG A 34 -3.965 8.704 -13.928 1.00 0.00 C ATOM 514 NH1 ARG A 34 -4.820 8.317 -14.835 1.00 0.00 N ATOM 515 NH2 ARG A 34 -4.121 9.848 -13.319 1.00 0.00 N ATOM 0 H ARG A 34 -2.046 5.447 -8.330 1.00 0.00 H new ATOM 0 HA ARG A 34 -4.101 6.265 -10.346 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -1.198 5.611 -10.143 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -1.961 4.715 -11.442 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -2.218 7.745 -11.074 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -1.073 6.985 -12.161 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -3.039 5.826 -13.330 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -4.133 6.741 -12.312 1.00 0.00 H new ATOM 0 HE ARG A 34 -2.021 8.167 -13.989 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -4.692 7.422 -15.307 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -5.616 8.910 -15.072 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -3.449 10.145 -12.611 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -4.915 10.445 -13.551 1.00 0.00 H new ATOM 529 N GLY A 35 -3.273 3.092 -10.138 1.00 0.00 N ATOM 530 CA GLY A 35 -3.854 1.732 -10.398 1.00 0.00 C ATOM 531 C GLY A 35 -3.868 0.749 -9.220 1.00 0.00 C ATOM 532 O GLY A 35 -4.371 -0.336 -9.384 1.00 0.00 O ATOM 0 H GLY A 35 -2.273 3.102 -9.937 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -4.879 1.861 -10.745 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -3.296 1.275 -11.215 1.00 0.00 H new ATOM 536 N SER A 36 -3.317 1.032 -8.074 1.00 0.00 N ATOM 537 CA SER A 36 -3.333 -0.026 -7.002 1.00 0.00 C ATOM 538 C SER A 36 -4.667 -0.013 -6.273 1.00 0.00 C ATOM 539 O SER A 36 -4.958 -0.863 -5.461 1.00 0.00 O ATOM 540 CB SER A 36 -2.161 0.280 -6.063 1.00 0.00 C ATOM 541 OG SER A 36 -1.190 -0.758 -6.160 1.00 0.00 O ATOM 0 H SER A 36 -2.869 1.915 -7.828 1.00 0.00 H new ATOM 0 HA SER A 36 -3.221 -1.026 -7.420 1.00 0.00 H new ATOM 0 HB2 SER A 36 -1.712 1.238 -6.325 1.00 0.00 H new ATOM 0 HB3 SER A 36 -2.517 0.365 -5.036 1.00 0.00 H new ATOM 0 HG SER A 36 -0.440 -0.561 -5.561 1.00 0.00 H new ATOM 547 N GLY A 37 -5.477 0.946 -6.568 1.00 0.00 N ATOM 548 CA GLY A 37 -6.784 1.051 -5.916 1.00 0.00 C ATOM 549 C GLY A 37 -7.802 1.507 -6.948 1.00 0.00 C ATOM 550 O GLY A 37 -7.743 2.630 -7.418 1.00 0.00 O ATOM 0 H GLY A 37 -5.279 1.677 -7.251 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -7.076 0.089 -5.495 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -6.739 1.760 -5.089 1.00 0.00 H new ATOM 554 N THR A 38 -8.737 0.670 -7.330 1.00 0.00 N ATOM 555 CA THR A 38 -9.712 1.130 -8.340 1.00 0.00 C ATOM 556 C THR A 38 -10.607 2.186 -7.730 1.00 0.00 C ATOM 557 O THR A 38 -11.233 2.964 -8.426 1.00 0.00 O ATOM 558 CB THR A 38 -10.506 -0.106 -8.769 1.00 0.00 C ATOM 559 OG1 THR A 38 -9.616 -1.196 -8.951 1.00 0.00 O ATOM 560 CG2 THR A 38 -11.238 0.180 -10.082 1.00 0.00 C ATOM 0 H THR A 38 -8.858 -0.284 -6.991 1.00 0.00 H new ATOM 0 HA THR A 38 -9.228 1.582 -9.206 1.00 0.00 H new ATOM 0 HB THR A 38 -11.235 -0.353 -7.998 1.00 0.00 H new ATOM 0 HG1 THR A 38 -8.757 -0.864 -9.287 1.00 0.00 H new ATOM 0 HG21 THR A 38 -11.802 -0.703 -10.384 1.00 0.00 H new ATOM 0 HG22 THR A 38 -11.922 1.017 -9.942 1.00 0.00 H new ATOM 0 HG23 THR A 38 -10.512 0.429 -10.856 1.00 0.00 H new ATOM 568 N LYS A 39 -10.674 2.194 -6.431 1.00 0.00 N ATOM 569 CA LYS A 39 -11.530 3.168 -5.686 1.00 0.00 C ATOM 570 C LYS A 39 -13.003 2.842 -5.969 1.00 0.00 C ATOM 571 O LYS A 39 -13.785 2.615 -5.069 1.00 0.00 O ATOM 572 CB LYS A 39 -11.150 4.573 -6.172 1.00 0.00 C ATOM 573 CG LYS A 39 -12.041 5.615 -5.479 1.00 0.00 C ATOM 574 CD LYS A 39 -12.608 6.588 -6.519 1.00 0.00 C ATOM 575 CE LYS A 39 -13.589 5.848 -7.437 1.00 0.00 C ATOM 576 NZ LYS A 39 -14.443 6.909 -8.049 1.00 0.00 N ATOM 0 H LYS A 39 -10.157 1.549 -5.833 1.00 0.00 H new ATOM 0 HA LYS A 39 -11.379 3.112 -4.608 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -10.101 4.773 -5.954 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -11.269 4.639 -7.253 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -12.855 5.118 -4.951 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -11.464 6.161 -4.733 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -13.114 7.414 -6.020 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -11.798 7.019 -7.108 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -13.059 5.282 -8.202 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -14.192 5.136 -6.874 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -15.136 6.471 -8.688 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -14.943 7.428 -7.299 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -13.845 7.569 -8.586 1.00 0.00 H new ATOM 590 N ALA A 40 -13.367 2.736 -7.216 1.00 0.00 N ATOM 591 CA ALA A 40 -14.754 2.309 -7.536 1.00 0.00 C ATOM 592 C ALA A 40 -14.813 0.825 -7.149 1.00 0.00 C ATOM 593 O ALA A 40 -15.836 0.301 -6.761 1.00 0.00 O ATOM 594 CB ALA A 40 -14.920 2.500 -9.048 1.00 0.00 C ATOM 0 H ALA A 40 -12.769 2.925 -8.020 1.00 0.00 H new ATOM 0 HA ALA A 40 -15.538 2.862 -7.019 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -15.925 2.201 -9.344 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -14.764 3.548 -9.302 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -14.189 1.886 -9.575 1.00 0.00 H new ATOM 600 N ASN A 41 -13.666 0.173 -7.215 1.00 0.00 N ATOM 601 CA ASN A 41 -13.542 -1.257 -6.820 1.00 0.00 C ATOM 602 C ASN A 41 -12.184 -1.443 -6.119 1.00 0.00 C ATOM 603 O ASN A 41 -11.275 -2.015 -6.687 1.00 0.00 O ATOM 604 CB ASN A 41 -13.513 -1.990 -8.159 1.00 0.00 C ATOM 605 CG ASN A 41 -14.706 -2.943 -8.279 1.00 0.00 C ATOM 606 OD1 ASN A 41 -14.778 -3.995 -7.516 1.00 0.00 O flip ATOM 607 ND2 ASN A 41 -15.590 -2.719 -9.081 1.00 0.00 N flip ATOM 0 H ASN A 41 -12.794 0.594 -7.536 1.00 0.00 H new ATOM 0 HA ASN A 41 -14.333 -1.605 -6.156 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -13.534 -1.268 -8.975 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -12.583 -2.550 -8.253 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -15.538 -1.896 -9.681 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -16.385 -3.354 -9.155 1.00 0.00 H new ATOM 614 N PRO A 42 -12.065 -0.920 -4.929 1.00 0.00 N ATOM 615 CA PRO A 42 -10.796 -0.993 -4.169 1.00 0.00 C ATOM 616 C PRO A 42 -10.919 -1.879 -2.913 1.00 0.00 C ATOM 617 O PRO A 42 -12.014 -2.218 -2.511 1.00 0.00 O ATOM 618 CB PRO A 42 -10.711 0.438 -3.701 1.00 0.00 C ATOM 619 CG PRO A 42 -12.147 0.909 -3.577 1.00 0.00 C ATOM 620 CD PRO A 42 -13.036 -0.155 -4.182 1.00 0.00 C ATOM 0 HA PRO A 42 -9.964 -1.394 -4.747 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -10.191 0.508 -2.746 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -10.157 1.051 -4.412 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -12.406 1.074 -2.531 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -12.283 1.859 -4.093 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -13.540 -0.754 -3.423 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -13.811 0.267 -4.822 1.00 0.00 H new ATOM 628 N ASP A 43 -9.824 -2.216 -2.243 1.00 0.00 N ATOM 629 CA ASP A 43 -9.996 -3.032 -0.976 1.00 0.00 C ATOM 630 C ASP A 43 -8.723 -3.124 -0.114 1.00 0.00 C ATOM 631 O ASP A 43 -7.776 -2.380 -0.299 1.00 0.00 O ATOM 632 CB ASP A 43 -10.464 -4.406 -1.410 1.00 0.00 C ATOM 633 CG ASP A 43 -11.427 -4.947 -0.343 1.00 0.00 C ATOM 634 OD1 ASP A 43 -12.594 -4.603 -0.397 1.00 0.00 O ATOM 635 OD2 ASP A 43 -10.973 -5.663 0.533 1.00 0.00 O ATOM 0 H ASP A 43 -8.866 -1.977 -2.500 1.00 0.00 H new ATOM 0 HA ASP A 43 -10.722 -2.539 -0.329 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -10.963 -4.349 -2.378 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -9.613 -5.077 -1.529 1.00 0.00 H new ATOM 640 N ILE A 44 -8.719 -4.014 0.859 1.00 0.00 N ATOM 641 CA ILE A 44 -7.531 -4.159 1.764 1.00 0.00 C ATOM 642 C ILE A 44 -6.504 -5.078 1.089 1.00 0.00 C ATOM 643 O ILE A 44 -6.806 -6.193 0.712 1.00 0.00 O ATOM 644 CB ILE A 44 -8.057 -4.737 3.114 1.00 0.00 C ATOM 645 CG1 ILE A 44 -7.897 -6.272 3.181 1.00 0.00 C ATOM 646 CG2 ILE A 44 -9.538 -4.374 3.323 1.00 0.00 C ATOM 647 CD1 ILE A 44 -8.981 -6.968 2.350 1.00 0.00 C ATOM 0 H ILE A 44 -9.492 -4.647 1.063 1.00 0.00 H new ATOM 0 HA ILE A 44 -7.031 -3.210 1.957 1.00 0.00 H new ATOM 0 HB ILE A 44 -7.455 -4.290 3.906 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -6.911 -6.556 2.813 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -7.958 -6.604 4.218 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -9.884 -4.787 4.271 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -9.648 -3.290 3.338 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -10.132 -4.788 2.508 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -8.849 -8.048 2.411 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -9.964 -6.700 2.737 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -8.902 -6.651 1.310 1.00 0.00 H new ATOM 659 N ILE A 45 -5.295 -4.613 0.907 1.00 0.00 N ATOM 660 CA ILE A 45 -4.283 -5.457 0.212 1.00 0.00 C ATOM 661 C ILE A 45 -3.206 -5.998 1.133 1.00 0.00 C ATOM 662 O ILE A 45 -2.362 -5.273 1.644 1.00 0.00 O ATOM 663 CB ILE A 45 -3.628 -4.571 -0.871 1.00 0.00 C ATOM 664 CG1 ILE A 45 -2.281 -5.177 -1.316 1.00 0.00 C ATOM 665 CG2 ILE A 45 -3.363 -3.162 -0.333 1.00 0.00 C ATOM 666 CD1 ILE A 45 -2.474 -6.612 -1.816 1.00 0.00 C ATOM 0 H ILE A 45 -4.969 -3.694 1.207 1.00 0.00 H new ATOM 0 HA ILE A 45 -4.789 -6.329 -0.203 1.00 0.00 H new ATOM 0 HB ILE A 45 -4.316 -4.520 -1.715 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -1.845 -4.566 -2.107 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -1.579 -5.168 -0.482 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -2.902 -2.556 -1.112 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -4.305 -2.706 -0.028 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -2.694 -3.220 0.525 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -1.513 -7.022 -2.125 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -2.889 -7.224 -1.015 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -3.158 -6.613 -2.664 1.00 0.00 H new ATOM 678 N ARG A 46 -3.148 -7.290 1.240 1.00 0.00 N ATOM 679 CA ARG A 46 -2.038 -7.888 1.994 1.00 0.00 C ATOM 680 C ARG A 46 -0.940 -8.046 0.946 1.00 0.00 C ATOM 681 O ARG A 46 -0.851 -9.050 0.262 1.00 0.00 O ATOM 682 CB ARG A 46 -2.549 -9.240 2.508 1.00 0.00 C ATOM 683 CG ARG A 46 -2.553 -9.233 4.040 1.00 0.00 C ATOM 684 CD ARG A 46 -3.705 -10.100 4.555 1.00 0.00 C ATOM 685 NE ARG A 46 -4.838 -9.154 4.786 1.00 0.00 N ATOM 686 CZ ARG A 46 -6.043 -9.615 4.977 1.00 0.00 C ATOM 687 NH1 ARG A 46 -6.320 -10.280 6.066 1.00 0.00 N ATOM 688 NH2 ARG A 46 -6.967 -9.403 4.078 1.00 0.00 N ATOM 0 H ARG A 46 -3.818 -7.947 0.840 1.00 0.00 H new ATOM 0 HA ARG A 46 -1.673 -7.317 2.848 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -3.554 -9.428 2.132 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -1.914 -10.045 2.139 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -1.603 -9.611 4.418 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -2.659 -8.213 4.409 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -3.975 -10.867 3.829 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -3.429 -10.615 5.475 1.00 0.00 H new ATOM 0 HE ARG A 46 -4.669 -8.148 4.794 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -5.595 -10.438 6.765 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -7.262 -10.641 6.217 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -6.744 -8.879 3.232 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -7.911 -9.761 4.223 1.00 0.00 H new ATOM 702 N LEU A 47 -0.139 -7.030 0.770 1.00 0.00 N ATOM 703 CA LEU A 47 0.926 -7.087 -0.273 1.00 0.00 C ATOM 704 C LEU A 47 2.095 -7.902 0.267 1.00 0.00 C ATOM 705 O LEU A 47 2.952 -7.391 0.962 1.00 0.00 O ATOM 706 CB LEU A 47 1.328 -5.622 -0.515 1.00 0.00 C ATOM 707 CG LEU A 47 1.622 -5.355 -2.000 1.00 0.00 C ATOM 708 CD1 LEU A 47 2.521 -4.119 -2.114 1.00 0.00 C ATOM 709 CD2 LEU A 47 2.343 -6.552 -2.626 1.00 0.00 C ATOM 0 H LEU A 47 -0.176 -6.162 1.304 1.00 0.00 H new ATOM 0 HA LEU A 47 0.601 -7.559 -1.200 1.00 0.00 H new ATOM 0 HB2 LEU A 47 0.527 -4.964 -0.178 1.00 0.00 H new ATOM 0 HB3 LEU A 47 2.209 -5.383 0.080 1.00 0.00 H new ATOM 0 HG LEU A 47 0.680 -5.193 -2.525 1.00 0.00 H new ATOM 0 HD11 LEU A 47 2.736 -3.921 -3.164 1.00 0.00 H new ATOM 0 HD12 LEU A 47 2.013 -3.258 -1.679 1.00 0.00 H new ATOM 0 HD13 LEU A 47 3.454 -4.298 -1.580 1.00 0.00 H new ATOM 0 HD21 LEU A 47 2.544 -6.347 -3.677 1.00 0.00 H new ATOM 0 HD22 LEU A 47 3.284 -6.724 -2.104 1.00 0.00 H new ATOM 0 HD23 LEU A 47 1.715 -7.439 -2.543 1.00 0.00 H new ATOM 721 N ARG A 48 2.123 -9.171 -0.029 1.00 0.00 N ATOM 722 CA ARG A 48 3.220 -10.033 0.490 1.00 0.00 C ATOM 723 C ARG A 48 3.763 -10.968 -0.601 1.00 0.00 C ATOM 724 O ARG A 48 3.267 -11.004 -1.710 1.00 0.00 O ATOM 725 CB ARG A 48 2.593 -10.867 1.631 1.00 0.00 C ATOM 726 CG ARG A 48 1.120 -11.217 1.331 1.00 0.00 C ATOM 727 CD ARG A 48 1.031 -12.251 0.196 1.00 0.00 C ATOM 728 NE ARG A 48 -0.197 -11.880 -0.575 1.00 0.00 N ATOM 729 CZ ARG A 48 -0.090 -11.343 -1.763 1.00 0.00 C ATOM 730 NH1 ARG A 48 0.302 -12.076 -2.772 1.00 0.00 N ATOM 731 NH2 ARG A 48 -0.390 -10.081 -1.932 1.00 0.00 N ATOM 0 H ARG A 48 1.433 -9.649 -0.608 1.00 0.00 H new ATOM 0 HA ARG A 48 4.060 -9.427 0.832 1.00 0.00 H new ATOM 0 HB2 ARG A 48 3.165 -11.784 1.770 1.00 0.00 H new ATOM 0 HB3 ARG A 48 2.653 -10.310 2.566 1.00 0.00 H new ATOM 0 HG2 ARG A 48 0.644 -11.612 2.229 1.00 0.00 H new ATOM 0 HG3 ARG A 48 0.575 -10.315 1.052 1.00 0.00 H new ATOM 0 HD2 ARG A 48 1.918 -12.219 -0.437 1.00 0.00 H new ATOM 0 HD3 ARG A 48 0.957 -13.264 0.591 1.00 0.00 H new ATOM 0 HE ARG A 48 -1.120 -12.046 -0.173 1.00 0.00 H new ATOM 0 HH11 ARG A 48 0.523 -13.062 -2.631 1.00 0.00 H new ATOM 0 HH12 ARG A 48 0.387 -11.662 -3.700 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -0.705 -9.521 -1.140 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -0.309 -9.657 -2.856 1.00 0.00 H new ATOM 745 N GLU A 49 4.755 -11.753 -0.267 1.00 0.00 N ATOM 746 CA GLU A 49 5.337 -12.728 -1.229 1.00 0.00 C ATOM 747 C GLU A 49 6.013 -13.810 -0.398 1.00 0.00 C ATOM 748 O GLU A 49 6.912 -13.532 0.377 1.00 0.00 O ATOM 749 CB GLU A 49 6.354 -11.950 -2.074 1.00 0.00 C ATOM 750 CG GLU A 49 6.128 -12.265 -3.559 1.00 0.00 C ATOM 751 CD GLU A 49 6.868 -11.244 -4.423 1.00 0.00 C ATOM 752 OE1 GLU A 49 8.059 -11.420 -4.622 1.00 0.00 O ATOM 753 OE2 GLU A 49 6.239 -10.301 -4.868 1.00 0.00 O ATOM 0 H GLU A 49 5.194 -11.756 0.654 1.00 0.00 H new ATOM 0 HA GLU A 49 4.602 -13.192 -1.887 1.00 0.00 H new ATOM 0 HB2 GLU A 49 6.247 -10.880 -1.897 1.00 0.00 H new ATOM 0 HB3 GLU A 49 7.369 -12.222 -1.783 1.00 0.00 H new ATOM 0 HG2 GLU A 49 6.482 -13.271 -3.785 1.00 0.00 H new ATOM 0 HG3 GLU A 49 5.062 -12.244 -3.787 1.00 0.00 H new ATOM 760 N ARG A 50 5.559 -15.026 -0.499 1.00 0.00 N ATOM 761 CA ARG A 50 6.151 -16.098 0.344 1.00 0.00 C ATOM 762 C ARG A 50 7.531 -16.519 -0.181 1.00 0.00 C ATOM 763 O ARG A 50 7.971 -16.081 -1.228 1.00 0.00 O ATOM 764 CB ARG A 50 5.154 -17.264 0.285 1.00 0.00 C ATOM 765 CG ARG A 50 5.230 -17.953 -1.083 1.00 0.00 C ATOM 766 CD ARG A 50 3.825 -18.351 -1.541 1.00 0.00 C ATOM 767 NE ARG A 50 3.983 -18.755 -2.969 1.00 0.00 N ATOM 768 CZ ARG A 50 2.938 -19.096 -3.670 1.00 0.00 C ATOM 769 NH1 ARG A 50 2.260 -18.179 -4.305 1.00 0.00 N ATOM 770 NH2 ARG A 50 2.576 -20.350 -3.731 1.00 0.00 N ATOM 0 H ARG A 50 4.809 -15.323 -1.124 1.00 0.00 H new ATOM 0 HA ARG A 50 6.312 -15.760 1.368 1.00 0.00 H new ATOM 0 HB2 ARG A 50 5.375 -17.982 1.075 1.00 0.00 H new ATOM 0 HB3 ARG A 50 4.143 -16.897 0.461 1.00 0.00 H new ATOM 0 HG2 ARG A 50 5.684 -17.283 -1.813 1.00 0.00 H new ATOM 0 HG3 ARG A 50 5.866 -18.836 -1.021 1.00 0.00 H new ATOM 0 HD2 ARG A 50 3.432 -19.171 -0.940 1.00 0.00 H new ATOM 0 HD3 ARG A 50 3.127 -17.520 -1.441 1.00 0.00 H new ATOM 0 HE ARG A 50 4.909 -18.764 -3.397 1.00 0.00 H new ATOM 0 HH11 ARG A 50 2.549 -17.202 -4.251 1.00 0.00 H new ATOM 0 HH12 ARG A 50 1.441 -18.439 -4.855 1.00 0.00 H new ATOM 0 HH21 ARG A 50 3.111 -21.060 -3.231 1.00 0.00 H new ATOM 0 HH22 ARG A 50 1.759 -20.619 -4.279 1.00 0.00 H new ATOM 784 N GLY A 51 8.225 -17.349 0.556 1.00 0.00 N ATOM 785 CA GLY A 51 9.590 -17.780 0.127 1.00 0.00 C ATOM 786 C GLY A 51 10.602 -16.809 0.736 1.00 0.00 C ATOM 787 O GLY A 51 11.498 -17.197 1.458 1.00 0.00 O ATOM 0 H GLY A 51 7.904 -17.748 1.438 1.00 0.00 H new ATOM 0 HA2 GLY A 51 9.791 -18.798 0.459 1.00 0.00 H new ATOM 0 HA3 GLY A 51 9.666 -17.779 -0.960 1.00 0.00 H new ATOM 791 N THR A 52 10.436 -15.543 0.463 1.00 0.00 N ATOM 792 CA THR A 52 11.348 -14.508 1.028 1.00 0.00 C ATOM 793 C THR A 52 10.574 -13.653 2.041 1.00 0.00 C ATOM 794 O THR A 52 9.409 -13.891 2.302 1.00 0.00 O ATOM 795 CB THR A 52 11.788 -13.664 -0.176 1.00 0.00 C ATOM 796 OG1 THR A 52 10.682 -13.469 -1.055 1.00 0.00 O ATOM 797 CG2 THR A 52 12.909 -14.385 -0.925 1.00 0.00 C ATOM 0 H THR A 52 9.696 -15.177 -0.136 1.00 0.00 H new ATOM 0 HA THR A 52 12.205 -14.935 1.549 1.00 0.00 H new ATOM 0 HB THR A 52 12.148 -12.697 0.176 1.00 0.00 H new ATOM 0 HG1 THR A 52 10.965 -12.928 -1.822 1.00 0.00 H new ATOM 0 HG21 THR A 52 13.220 -13.784 -1.780 1.00 0.00 H new ATOM 0 HG22 THR A 52 13.757 -14.532 -0.257 1.00 0.00 H new ATOM 0 HG23 THR A 52 12.550 -15.353 -1.274 1.00 0.00 H new ATOM 805 N LYS A 53 11.199 -12.651 2.601 1.00 0.00 N ATOM 806 CA LYS A 53 10.491 -11.785 3.569 1.00 0.00 C ATOM 807 C LYS A 53 9.836 -10.644 2.809 1.00 0.00 C ATOM 808 O LYS A 53 10.445 -9.658 2.466 1.00 0.00 O ATOM 809 CB LYS A 53 11.562 -11.272 4.536 1.00 0.00 C ATOM 810 CG LYS A 53 11.391 -11.949 5.898 1.00 0.00 C ATOM 811 CD LYS A 53 10.943 -10.913 6.935 1.00 0.00 C ATOM 812 CE LYS A 53 12.101 -9.956 7.247 1.00 0.00 C ATOM 813 NZ LYS A 53 12.941 -10.659 8.264 1.00 0.00 N ATOM 0 H LYS A 53 12.172 -12.400 2.425 1.00 0.00 H new ATOM 0 HA LYS A 53 9.708 -12.309 4.117 1.00 0.00 H new ATOM 0 HB2 LYS A 53 12.555 -11.479 4.138 1.00 0.00 H new ATOM 0 HB3 LYS A 53 11.481 -10.190 4.644 1.00 0.00 H new ATOM 0 HG2 LYS A 53 10.655 -12.750 5.827 1.00 0.00 H new ATOM 0 HG3 LYS A 53 12.330 -12.406 6.208 1.00 0.00 H new ATOM 0 HD2 LYS A 53 10.088 -10.353 6.557 1.00 0.00 H new ATOM 0 HD3 LYS A 53 10.618 -11.414 7.847 1.00 0.00 H new ATOM 0 HE2 LYS A 53 12.677 -9.733 6.349 1.00 0.00 H new ATOM 0 HE3 LYS A 53 11.731 -9.006 7.633 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 13.945 -10.457 8.084 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 12.686 -10.326 9.216 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 12.778 -11.684 8.201 1.00 0.00 H new ATOM 827 N LYS A 54 8.599 -10.788 2.515 1.00 0.00 N ATOM 828 CA LYS A 54 7.893 -9.720 1.765 1.00 0.00 C ATOM 829 C LYS A 54 6.432 -9.654 2.218 1.00 0.00 C ATOM 830 O LYS A 54 5.653 -10.546 1.944 1.00 0.00 O ATOM 831 CB LYS A 54 8.016 -10.135 0.304 1.00 0.00 C ATOM 832 CG LYS A 54 9.022 -9.221 -0.391 1.00 0.00 C ATOM 833 CD LYS A 54 8.805 -9.285 -1.900 1.00 0.00 C ATOM 834 CE LYS A 54 10.067 -9.823 -2.574 1.00 0.00 C ATOM 835 NZ LYS A 54 9.767 -9.769 -4.029 1.00 0.00 N ATOM 0 H LYS A 54 8.031 -11.600 2.758 1.00 0.00 H new ATOM 0 HA LYS A 54 8.309 -8.726 1.930 1.00 0.00 H new ATOM 0 HB2 LYS A 54 8.340 -11.173 0.234 1.00 0.00 H new ATOM 0 HB3 LYS A 54 7.046 -10.070 -0.189 1.00 0.00 H new ATOM 0 HG2 LYS A 54 8.904 -8.196 -0.038 1.00 0.00 H new ATOM 0 HG3 LYS A 54 10.039 -9.527 -0.145 1.00 0.00 H new ATOM 0 HD2 LYS A 54 7.955 -9.928 -2.129 1.00 0.00 H new ATOM 0 HD3 LYS A 54 8.568 -8.294 -2.286 1.00 0.00 H new ATOM 0 HE2 LYS A 54 10.938 -9.217 -2.326 1.00 0.00 H new ATOM 0 HE3 LYS A 54 10.285 -10.841 -2.252 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 10.649 -9.875 -4.570 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 9.114 -10.540 -4.278 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 9.327 -8.855 -4.259 1.00 0.00 H new ATOM 849 N VAL A 55 6.073 -8.611 2.920 1.00 0.00 N ATOM 850 CA VAL A 55 4.675 -8.469 3.431 1.00 0.00 C ATOM 851 C VAL A 55 4.322 -6.985 3.631 1.00 0.00 C ATOM 852 O VAL A 55 5.163 -6.165 3.932 1.00 0.00 O ATOM 853 CB VAL A 55 4.675 -9.211 4.782 1.00 0.00 C ATOM 854 CG1 VAL A 55 3.573 -8.657 5.695 1.00 0.00 C ATOM 855 CG2 VAL A 55 4.426 -10.705 4.559 1.00 0.00 C ATOM 0 H VAL A 55 6.696 -7.841 3.165 1.00 0.00 H new ATOM 0 HA VAL A 55 3.939 -8.874 2.737 1.00 0.00 H new ATOM 0 HB VAL A 55 5.647 -9.064 5.253 1.00 0.00 H new ATOM 0 HG11 VAL A 55 3.585 -9.191 6.645 1.00 0.00 H new ATOM 0 HG12 VAL A 55 3.747 -7.596 5.873 1.00 0.00 H new ATOM 0 HG13 VAL A 55 2.603 -8.790 5.216 1.00 0.00 H new ATOM 0 HG21 VAL A 55 4.428 -11.221 5.519 1.00 0.00 H new ATOM 0 HG22 VAL A 55 3.460 -10.844 4.074 1.00 0.00 H new ATOM 0 HG23 VAL A 55 5.213 -11.114 3.925 1.00 0.00 H new ATOM 865 N HIS A 56 3.070 -6.653 3.474 1.00 0.00 N ATOM 866 CA HIS A 56 2.595 -5.246 3.656 1.00 0.00 C ATOM 867 C HIS A 56 1.091 -5.310 3.874 1.00 0.00 C ATOM 868 O HIS A 56 0.386 -5.849 3.046 1.00 0.00 O ATOM 869 CB HIS A 56 2.982 -4.532 2.331 1.00 0.00 C ATOM 870 CG HIS A 56 1.945 -3.515 1.843 1.00 0.00 C ATOM 871 ND1 HIS A 56 0.581 -3.596 1.607 1.00 0.00 N flip ATOM 872 CD2 HIS A 56 2.313 -2.222 1.419 1.00 0.00 C flip ATOM 873 CE1 HIS A 56 0.155 -2.406 1.056 1.00 0.00 C flip ATOM 874 NE2 HIS A 56 1.200 -1.607 0.956 1.00 0.00 N flip ATOM 0 H HIS A 56 2.335 -7.314 3.221 1.00 0.00 H new ATOM 0 HA HIS A 56 3.026 -4.713 4.503 1.00 0.00 H new ATOM 0 HB2 HIS A 56 3.936 -4.024 2.470 1.00 0.00 H new ATOM 0 HB3 HIS A 56 3.131 -5.284 1.556 1.00 0.00 H new ATOM 0 HD1 HIS A 56 -0.010 -4.403 1.808 1.00 0.00 H new ATOM 0 HD2 HIS A 56 3.306 -1.798 1.457 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -0.856 -2.170 0.759 1.00 0.00 H new ATOM 883 N VAL A 57 0.566 -4.802 4.961 1.00 0.00 N ATOM 884 CA VAL A 57 -0.903 -4.893 5.124 1.00 0.00 C ATOM 885 C VAL A 57 -1.474 -3.488 5.066 1.00 0.00 C ATOM 886 O VAL A 57 -1.431 -2.741 6.015 1.00 0.00 O ATOM 887 CB VAL A 57 -1.166 -5.575 6.474 1.00 0.00 C ATOM 888 CG1 VAL A 57 -2.650 -5.948 6.568 1.00 0.00 C ATOM 889 CG2 VAL A 57 -0.335 -6.858 6.580 1.00 0.00 C ATOM 0 H VAL A 57 1.077 -4.344 5.716 1.00 0.00 H new ATOM 0 HA VAL A 57 -1.381 -5.477 4.338 1.00 0.00 H new ATOM 0 HB VAL A 57 -0.893 -4.892 7.278 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -2.843 -6.433 7.525 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -3.257 -5.046 6.489 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -2.906 -6.630 5.757 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -0.526 -7.337 7.540 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -0.611 -7.538 5.774 1.00 0.00 H new ATOM 0 HG23 VAL A 57 0.724 -6.613 6.501 1.00 0.00 H new ATOM 899 N PHE A 58 -2.005 -3.123 3.949 1.00 0.00 N ATOM 900 CA PHE A 58 -2.593 -1.772 3.810 1.00 0.00 C ATOM 901 C PHE A 58 -3.802 -1.916 2.898 1.00 0.00 C ATOM 902 O PHE A 58 -4.080 -2.975 2.383 1.00 0.00 O ATOM 903 CB PHE A 58 -1.522 -0.892 3.115 1.00 0.00 C ATOM 904 CG PHE A 58 -0.987 0.254 3.993 1.00 0.00 C ATOM 905 CD1 PHE A 58 -1.594 1.540 3.991 1.00 0.00 C ATOM 906 CD2 PHE A 58 0.169 0.050 4.760 1.00 0.00 C ATOM 907 CE1 PHE A 58 -1.048 2.581 4.750 1.00 0.00 C ATOM 908 CE2 PHE A 58 0.717 1.103 5.508 1.00 0.00 C ATOM 909 CZ PHE A 58 0.111 2.365 5.501 1.00 0.00 C ATOM 0 H PHE A 58 -2.060 -3.706 3.114 1.00 0.00 H new ATOM 0 HA PHE A 58 -2.886 -1.332 4.763 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -0.687 -1.524 2.813 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -1.948 -0.470 2.205 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -2.481 1.714 3.400 1.00 0.00 H new ATOM 0 HD2 PHE A 58 0.640 -0.922 4.775 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -1.522 3.551 4.756 1.00 0.00 H new ATOM 0 HE2 PHE A 58 1.611 0.939 6.092 1.00 0.00 H new ATOM 0 HZ PHE A 58 0.539 3.172 6.076 1.00 0.00 H new ATOM 919 N LYS A 59 -4.478 -0.863 2.661 1.00 0.00 N ATOM 920 CA LYS A 59 -5.637 -0.905 1.722 1.00 0.00 C ATOM 921 C LYS A 59 -5.414 0.274 0.803 1.00 0.00 C ATOM 922 O LYS A 59 -5.026 1.312 1.279 1.00 0.00 O ATOM 923 CB LYS A 59 -6.884 -0.772 2.593 1.00 0.00 C ATOM 924 CG LYS A 59 -6.732 -1.666 3.833 1.00 0.00 C ATOM 925 CD LYS A 59 -8.045 -1.708 4.617 1.00 0.00 C ATOM 926 CE LYS A 59 -7.810 -2.430 5.952 1.00 0.00 C ATOM 927 NZ LYS A 59 -9.130 -3.023 6.328 1.00 0.00 N ATOM 0 H LYS A 59 -4.291 0.051 3.074 1.00 0.00 H new ATOM 0 HA LYS A 59 -5.746 -1.810 1.124 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -7.023 0.266 2.894 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -7.770 -1.062 2.028 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -6.448 -2.674 3.531 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -5.932 -1.286 4.469 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -8.409 -0.696 4.796 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -8.811 -2.225 4.040 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -7.048 -3.203 5.851 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -7.460 -1.736 6.716 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -9.310 -2.857 7.339 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -9.883 -2.579 5.764 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -9.116 -4.046 6.143 1.00 0.00 H new ATOM 941 N ALA A 60 -5.559 0.143 -0.493 1.00 0.00 N ATOM 942 CA ALA A 60 -5.213 1.318 -1.351 1.00 0.00 C ATOM 943 C ALA A 60 -6.370 1.757 -2.235 1.00 0.00 C ATOM 944 O ALA A 60 -6.757 1.073 -3.161 1.00 0.00 O ATOM 945 CB ALA A 60 -4.033 0.832 -2.186 1.00 0.00 C ATOM 0 H ALA A 60 -5.888 -0.691 -0.979 1.00 0.00 H new ATOM 0 HA ALA A 60 -4.977 2.198 -0.752 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -3.705 1.630 -2.852 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -3.212 0.550 -1.527 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -4.337 -0.032 -2.777 1.00 0.00 H new ATOM 951 N TRP A 61 -6.931 2.892 -1.927 1.00 0.00 N ATOM 952 CA TRP A 61 -8.112 3.412 -2.707 1.00 0.00 C ATOM 953 C TRP A 61 -7.827 4.814 -3.232 1.00 0.00 C ATOM 954 O TRP A 61 -6.699 5.217 -3.280 1.00 0.00 O ATOM 955 CB TRP A 61 -9.264 3.418 -1.699 1.00 0.00 C ATOM 956 CG TRP A 61 -9.228 2.142 -0.923 1.00 0.00 C ATOM 957 CD1 TRP A 61 -8.887 0.960 -1.447 1.00 0.00 C ATOM 958 CD2 TRP A 61 -9.501 1.901 0.478 1.00 0.00 C ATOM 959 NE1 TRP A 61 -8.965 -0.007 -0.485 1.00 0.00 N ATOM 960 CE2 TRP A 61 -9.350 0.521 0.734 1.00 0.00 C ATOM 961 CE3 TRP A 61 -9.876 2.734 1.530 1.00 0.00 C ATOM 962 CZ2 TRP A 61 -9.575 -0.011 2.005 1.00 0.00 C ATOM 963 CZ3 TRP A 61 -10.098 2.212 2.811 1.00 0.00 C ATOM 964 CH2 TRP A 61 -9.953 0.838 3.048 1.00 0.00 C ATOM 0 H TRP A 61 -6.626 3.495 -1.163 1.00 0.00 H new ATOM 0 HA TRP A 61 -8.341 2.803 -3.581 1.00 0.00 H new ATOM 0 HB2 TRP A 61 -9.174 4.272 -1.027 1.00 0.00 H new ATOM 0 HB3 TRP A 61 -10.218 3.519 -2.216 1.00 0.00 H new ATOM 0 HD1 TRP A 61 -8.595 0.795 -2.474 1.00 0.00 H new ATOM 0 HE1 TRP A 61 -8.765 -0.994 -0.646 1.00 0.00 H new ATOM 0 HE3 TRP A 61 -9.997 3.793 1.356 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 -9.458 -1.070 2.180 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 -10.382 2.870 3.619 1.00 0.00 H new ATOM 0 HH2 TRP A 61 -10.133 0.437 4.034 1.00 0.00 H new ATOM 975 N LYS A 62 -8.833 5.561 -3.638 1.00 0.00 N ATOM 976 CA LYS A 62 -8.572 6.947 -4.148 1.00 0.00 C ATOM 977 C LYS A 62 -9.402 7.991 -3.366 1.00 0.00 C ATOM 978 O LYS A 62 -10.484 8.359 -3.779 1.00 0.00 O ATOM 979 CB LYS A 62 -8.993 6.911 -5.622 1.00 0.00 C ATOM 980 CG LYS A 62 -8.421 8.129 -6.353 1.00 0.00 C ATOM 981 CD LYS A 62 -9.547 9.130 -6.632 1.00 0.00 C ATOM 982 CE LYS A 62 -9.111 10.534 -6.197 1.00 0.00 C ATOM 983 NZ LYS A 62 -8.194 11.011 -7.275 1.00 0.00 N ATOM 0 H LYS A 62 -9.812 5.273 -3.638 1.00 0.00 H new ATOM 0 HA LYS A 62 -7.528 7.236 -4.026 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -8.636 5.994 -6.090 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -10.080 6.906 -5.699 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -7.644 8.598 -5.749 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -7.954 7.820 -7.288 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -9.793 9.128 -7.694 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -10.449 8.836 -6.095 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -9.969 11.197 -6.088 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -8.604 10.508 -5.232 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -7.856 11.967 -7.045 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -7.382 10.365 -7.351 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -8.705 11.033 -8.181 1.00 0.00 H new ATOM 997 N GLU A 63 -8.862 8.498 -2.270 1.00 0.00 N ATOM 998 CA GLU A 63 -9.555 9.557 -1.452 1.00 0.00 C ATOM 999 C GLU A 63 -8.564 10.188 -0.425 1.00 0.00 C ATOM 1000 O GLU A 63 -7.444 9.753 -0.270 1.00 0.00 O ATOM 1001 CB GLU A 63 -10.706 8.860 -0.752 1.00 0.00 C ATOM 1002 CG GLU A 63 -11.972 8.916 -1.610 1.00 0.00 C ATOM 1003 CD GLU A 63 -13.190 8.988 -0.695 1.00 0.00 C ATOM 1004 OE1 GLU A 63 -13.413 10.041 -0.123 1.00 0.00 O ATOM 1005 OE2 GLU A 63 -13.869 7.985 -0.572 1.00 0.00 O ATOM 0 H GLU A 63 -7.953 8.215 -1.904 1.00 0.00 H new ATOM 0 HA GLU A 63 -9.918 10.375 -2.075 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -10.442 7.822 -0.552 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -10.892 9.333 0.212 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -11.943 9.785 -2.267 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -12.033 8.035 -2.249 1.00 0.00 H new ATOM 1012 N ILE A 64 -8.949 11.237 0.254 1.00 0.00 N ATOM 1013 CA ILE A 64 -7.986 11.933 1.200 1.00 0.00 C ATOM 1014 C ILE A 64 -7.668 11.168 2.509 1.00 0.00 C ATOM 1015 O ILE A 64 -8.401 11.278 3.477 1.00 0.00 O ATOM 1016 CB ILE A 64 -8.686 13.258 1.567 1.00 0.00 C ATOM 1017 CG1 ILE A 64 -9.213 13.968 0.312 1.00 0.00 C ATOM 1018 CG2 ILE A 64 -7.699 14.184 2.286 1.00 0.00 C ATOM 1019 CD1 ILE A 64 -10.699 14.288 0.489 1.00 0.00 C ATOM 0 H ILE A 64 -9.880 11.650 0.204 1.00 0.00 H new ATOM 0 HA ILE A 64 -7.024 12.035 0.698 1.00 0.00 H new ATOM 0 HB ILE A 64 -9.527 13.026 2.220 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -8.651 14.886 0.138 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -9.069 13.335 -0.564 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -8.198 15.118 2.543 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -7.343 13.700 3.196 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -6.853 14.393 1.631 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -11.071 14.792 -0.403 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -11.255 13.363 0.642 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -10.831 14.937 1.354 1.00 0.00 H new ATOM 1031 N VAL A 65 -6.550 10.453 2.592 1.00 0.00 N ATOM 1032 CA VAL A 65 -6.200 9.787 3.883 1.00 0.00 C ATOM 1033 C VAL A 65 -5.266 10.703 4.690 1.00 0.00 C ATOM 1034 O VAL A 65 -5.115 11.880 4.410 1.00 0.00 O ATOM 1035 CB VAL A 65 -5.472 8.454 3.581 1.00 0.00 C ATOM 1036 CG1 VAL A 65 -6.348 7.289 4.043 1.00 0.00 C ATOM 1037 CG2 VAL A 65 -5.143 8.301 2.090 1.00 0.00 C ATOM 0 H VAL A 65 -5.886 10.312 1.831 1.00 0.00 H new ATOM 0 HA VAL A 65 -7.106 9.593 4.457 1.00 0.00 H new ATOM 0 HB VAL A 65 -4.526 8.455 4.123 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -5.841 6.347 3.833 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -6.529 7.373 5.115 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -7.299 7.316 3.511 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -4.633 7.352 1.925 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -6.065 8.323 1.510 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -4.496 9.120 1.774 1.00 0.00 H new ATOM 1047 N ASP A 66 -4.635 10.140 5.676 1.00 0.00 N ATOM 1048 CA ASP A 66 -3.670 10.875 6.535 1.00 0.00 C ATOM 1049 C ASP A 66 -2.308 10.179 6.413 1.00 0.00 C ATOM 1050 O ASP A 66 -2.243 8.971 6.399 1.00 0.00 O ATOM 1051 CB ASP A 66 -4.218 10.747 7.958 1.00 0.00 C ATOM 1052 CG ASP A 66 -3.499 11.744 8.860 1.00 0.00 C ATOM 1053 OD1 ASP A 66 -3.936 12.883 8.917 1.00 0.00 O ATOM 1054 OD2 ASP A 66 -2.517 11.366 9.473 1.00 0.00 O ATOM 0 H ASP A 66 -4.754 9.160 5.932 1.00 0.00 H new ATOM 0 HA ASP A 66 -3.549 11.922 6.258 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -5.291 10.938 7.966 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -4.072 9.732 8.328 1.00 0.00 H new ATOM 1059 N ALA A 67 -1.240 10.926 6.290 1.00 0.00 N ATOM 1060 CA ALA A 67 0.126 10.324 6.119 1.00 0.00 C ATOM 1061 C ALA A 67 0.588 9.620 7.380 1.00 0.00 C ATOM 1062 O ALA A 67 1.036 10.289 8.257 1.00 0.00 O ATOM 1063 CB ALA A 67 1.043 11.528 5.912 1.00 0.00 C ATOM 0 H ALA A 67 -1.253 11.946 6.301 1.00 0.00 H new ATOM 0 HA ALA A 67 0.130 9.597 5.307 1.00 0.00 H new ATOM 0 HB1 ALA A 67 2.069 11.185 5.777 1.00 0.00 H new ATOM 0 HB2 ALA A 67 0.725 12.079 5.027 1.00 0.00 H new ATOM 0 HB3 ALA A 67 0.990 12.180 6.784 1.00 0.00 H new ATOM 1069 N PRO A 68 0.486 8.306 7.431 1.00 0.00 N ATOM 1070 CA PRO A 68 0.900 7.556 8.641 1.00 0.00 C ATOM 1071 C PRO A 68 2.392 7.182 8.582 1.00 0.00 C ATOM 1072 O PRO A 68 3.179 7.842 7.927 1.00 0.00 O ATOM 1073 CB PRO A 68 0.004 6.315 8.581 1.00 0.00 C ATOM 1074 CG PRO A 68 -0.357 6.133 7.131 1.00 0.00 C ATOM 1075 CD PRO A 68 0.011 7.396 6.387 1.00 0.00 C ATOM 0 HA PRO A 68 0.791 8.122 9.566 1.00 0.00 H new ATOM 0 HB2 PRO A 68 0.525 5.439 8.966 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -0.889 6.449 9.192 1.00 0.00 H new ATOM 0 HG2 PRO A 68 0.173 5.278 6.712 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -1.423 5.929 7.028 1.00 0.00 H new ATOM 0 HD2 PRO A 68 0.784 7.208 5.642 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -0.847 7.811 5.858 1.00 0.00 H new ATOM 1083 N LYS A 69 2.789 6.120 9.258 1.00 0.00 N ATOM 1084 CA LYS A 69 4.230 5.699 9.234 1.00 0.00 C ATOM 1085 C LYS A 69 4.610 5.195 7.832 1.00 0.00 C ATOM 1086 O LYS A 69 4.978 4.050 7.633 1.00 0.00 O ATOM 1087 CB LYS A 69 4.348 4.575 10.273 1.00 0.00 C ATOM 1088 CG LYS A 69 5.318 5.002 11.377 1.00 0.00 C ATOM 1089 CD LYS A 69 4.632 6.015 12.303 1.00 0.00 C ATOM 1090 CE LYS A 69 5.107 5.804 13.746 1.00 0.00 C ATOM 1091 NZ LYS A 69 4.327 4.635 14.252 1.00 0.00 N ATOM 0 H LYS A 69 2.177 5.531 9.822 1.00 0.00 H new ATOM 0 HA LYS A 69 4.903 6.524 9.466 1.00 0.00 H new ATOM 0 HB2 LYS A 69 3.369 4.355 10.699 1.00 0.00 H new ATOM 0 HB3 LYS A 69 4.702 3.660 9.797 1.00 0.00 H new ATOM 0 HG2 LYS A 69 5.640 4.132 11.949 1.00 0.00 H new ATOM 0 HG3 LYS A 69 6.213 5.443 10.938 1.00 0.00 H new ATOM 0 HD2 LYS A 69 4.861 7.030 11.980 1.00 0.00 H new ATOM 0 HD3 LYS A 69 3.550 5.899 12.246 1.00 0.00 H new ATOM 0 HE2 LYS A 69 6.178 5.607 13.782 1.00 0.00 H new ATOM 0 HE3 LYS A 69 4.925 6.691 14.353 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 3.873 4.885 15.154 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 3.597 4.378 13.557 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 4.966 3.828 14.398 1.00 0.00 H new ATOM 1105 N ASN A 70 4.511 6.059 6.862 1.00 0.00 N ATOM 1106 CA ASN A 70 4.841 5.692 5.456 1.00 0.00 C ATOM 1107 C ASN A 70 6.249 6.171 5.079 1.00 0.00 C ATOM 1108 O ASN A 70 6.794 5.770 4.067 1.00 0.00 O ATOM 1109 CB ASN A 70 3.807 6.445 4.614 1.00 0.00 C ATOM 1110 CG ASN A 70 2.660 5.514 4.211 1.00 0.00 C ATOM 1111 OD1 ASN A 70 1.511 5.902 4.239 1.00 0.00 O ATOM 1112 ND2 ASN A 70 2.918 4.298 3.832 1.00 0.00 N ATOM 0 H ASN A 70 4.209 7.025 6.987 1.00 0.00 H new ATOM 0 HA ASN A 70 4.819 4.613 5.304 1.00 0.00 H new ATOM 0 HB2 ASN A 70 3.415 7.290 5.180 1.00 0.00 H new ATOM 0 HB3 ASN A 70 4.283 6.852 3.722 1.00 0.00 H new ATOM 0 HD21 ASN A 70 2.157 3.676 3.560 1.00 0.00 H new ATOM 0 HD22 ASN A 70 3.882 3.966 3.806 1.00 0.00 H new ATOM 1119 N ARG A 71 6.818 7.054 5.872 1.00 0.00 N ATOM 1120 CA ARG A 71 8.163 7.620 5.583 1.00 0.00 C ATOM 1121 C ARG A 71 8.222 8.121 4.127 1.00 0.00 C ATOM 1122 O ARG A 71 9.099 7.744 3.372 1.00 0.00 O ATOM 1123 CB ARG A 71 9.185 6.504 5.839 1.00 0.00 C ATOM 1124 CG ARG A 71 8.619 5.386 6.739 1.00 0.00 C ATOM 1125 CD ARG A 71 8.470 4.083 5.934 1.00 0.00 C ATOM 1126 NE ARG A 71 9.780 3.881 5.236 1.00 0.00 N ATOM 1127 CZ ARG A 71 10.883 3.731 5.927 1.00 0.00 C ATOM 1128 NH1 ARG A 71 11.011 2.717 6.738 1.00 0.00 N ATOM 1129 NH2 ARG A 71 11.850 4.602 5.807 1.00 0.00 N ATOM 0 H ARG A 71 6.389 7.409 6.726 1.00 0.00 H new ATOM 0 HA ARG A 71 8.382 8.476 6.222 1.00 0.00 H new ATOM 0 HB2 ARG A 71 9.499 6.077 4.887 1.00 0.00 H new ATOM 0 HB3 ARG A 71 10.074 6.928 6.306 1.00 0.00 H new ATOM 0 HG2 ARG A 71 9.281 5.223 7.590 1.00 0.00 H new ATOM 0 HG3 ARG A 71 7.651 5.687 7.141 1.00 0.00 H new ATOM 0 HD2 ARG A 71 8.243 3.242 6.590 1.00 0.00 H new ATOM 0 HD3 ARG A 71 7.653 4.158 5.217 1.00 0.00 H new ATOM 0 HE ARG A 71 9.813 3.860 4.217 1.00 0.00 H new ATOM 0 HH11 ARG A 71 10.253 2.042 6.834 1.00 0.00 H new ATOM 0 HH12 ARG A 71 11.869 2.600 7.276 1.00 0.00 H new ATOM 0 HH21 ARG A 71 11.745 5.397 5.176 1.00 0.00 H new ATOM 0 HH22 ARG A 71 12.709 4.487 6.344 1.00 0.00 H new ATOM 1143 N PRO A 72 7.260 8.949 3.777 1.00 0.00 N ATOM 1144 CA PRO A 72 7.163 9.505 2.414 1.00 0.00 C ATOM 1145 C PRO A 72 7.752 10.920 2.359 1.00 0.00 C ATOM 1146 O PRO A 72 7.170 11.859 2.871 1.00 0.00 O ATOM 1147 CB PRO A 72 5.652 9.556 2.206 1.00 0.00 C ATOM 1148 CG PRO A 72 5.055 9.648 3.591 1.00 0.00 C ATOM 1149 CD PRO A 72 6.162 9.454 4.594 1.00 0.00 C ATOM 0 HA PRO A 72 7.702 8.927 1.664 1.00 0.00 H new ATOM 0 HB2 PRO A 72 5.369 10.416 1.599 1.00 0.00 H new ATOM 0 HB3 PRO A 72 5.298 8.667 1.685 1.00 0.00 H new ATOM 0 HG2 PRO A 72 4.577 10.617 3.735 1.00 0.00 H new ATOM 0 HG3 PRO A 72 4.284 8.889 3.724 1.00 0.00 H new ATOM 0 HD2 PRO A 72 6.425 10.388 5.091 1.00 0.00 H new ATOM 0 HD3 PRO A 72 5.881 8.746 5.374 1.00 0.00 H new ATOM 1157 N ALA A 73 8.893 11.089 1.750 1.00 0.00 N ATOM 1158 CA ALA A 73 9.496 12.456 1.677 1.00 0.00 C ATOM 1159 C ALA A 73 8.936 13.252 0.497 1.00 0.00 C ATOM 1160 O ALA A 73 8.839 14.463 0.542 1.00 0.00 O ATOM 1161 CB ALA A 73 11.001 12.232 1.517 1.00 0.00 C ATOM 0 H ALA A 73 9.433 10.348 1.302 1.00 0.00 H new ATOM 0 HA ALA A 73 9.265 13.038 2.569 1.00 0.00 H new ATOM 0 HB1 ALA A 73 11.508 13.195 1.457 1.00 0.00 H new ATOM 0 HB2 ALA A 73 11.379 11.676 2.375 1.00 0.00 H new ATOM 0 HB3 ALA A 73 11.190 11.665 0.605 1.00 0.00 H new ATOM 1167 N TRP A 74 8.589 12.579 -0.557 1.00 0.00 N ATOM 1168 CA TRP A 74 8.054 13.260 -1.764 1.00 0.00 C ATOM 1169 C TRP A 74 6.549 13.526 -1.621 1.00 0.00 C ATOM 1170 O TRP A 74 6.033 14.501 -2.137 1.00 0.00 O ATOM 1171 CB TRP A 74 8.318 12.261 -2.897 1.00 0.00 C ATOM 1172 CG TRP A 74 9.759 11.836 -2.881 1.00 0.00 C ATOM 1173 CD1 TRP A 74 10.299 10.886 -2.075 1.00 0.00 C ATOM 1174 CD2 TRP A 74 10.846 12.340 -3.693 1.00 0.00 C ATOM 1175 NE1 TRP A 74 11.648 10.776 -2.357 1.00 0.00 N ATOM 1176 CE2 TRP A 74 12.033 11.654 -3.352 1.00 0.00 C ATOM 1177 CE3 TRP A 74 10.904 13.318 -4.685 1.00 0.00 C ATOM 1178 CZ2 TRP A 74 13.244 11.936 -3.985 1.00 0.00 C ATOM 1179 CZ3 TRP A 74 12.117 13.610 -5.329 1.00 0.00 C ATOM 1180 CH2 TRP A 74 13.287 12.918 -4.980 1.00 0.00 C ATOM 0 H TRP A 74 8.654 11.564 -0.636 1.00 0.00 H new ATOM 0 HA TRP A 74 8.519 14.231 -1.937 1.00 0.00 H new ATOM 0 HB2 TRP A 74 7.672 11.390 -2.783 1.00 0.00 H new ATOM 0 HB3 TRP A 74 8.075 12.715 -3.858 1.00 0.00 H new ATOM 0 HD1 TRP A 74 9.763 10.311 -1.335 1.00 0.00 H new ATOM 0 HE1 TRP A 74 12.281 10.127 -1.889 1.00 0.00 H new ATOM 0 HE3 TRP A 74 10.009 13.855 -4.960 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 14.140 11.401 -3.709 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 12.150 14.370 -6.096 1.00 0.00 H new ATOM 0 HH2 TRP A 74 14.218 13.143 -5.478 1.00 0.00 H new ATOM 1191 N MET A 75 5.840 12.656 -0.936 1.00 0.00 N ATOM 1192 CA MET A 75 4.362 12.847 -0.774 1.00 0.00 C ATOM 1193 C MET A 75 3.794 11.894 0.295 1.00 0.00 C ATOM 1194 O MET A 75 3.663 10.705 0.054 1.00 0.00 O ATOM 1195 CB MET A 75 3.762 12.521 -2.149 1.00 0.00 C ATOM 1196 CG MET A 75 3.028 13.748 -2.694 1.00 0.00 C ATOM 1197 SD MET A 75 2.458 13.409 -4.379 1.00 0.00 S ATOM 1198 CE MET A 75 3.928 14.014 -5.244 1.00 0.00 C ATOM 0 H MET A 75 6.221 11.825 -0.484 1.00 0.00 H new ATOM 0 HA MET A 75 4.123 13.859 -0.447 1.00 0.00 H new ATOM 0 HB2 MET A 75 4.551 12.221 -2.839 1.00 0.00 H new ATOM 0 HB3 MET A 75 3.073 11.680 -2.066 1.00 0.00 H new ATOM 0 HG2 MET A 75 2.180 13.992 -2.054 1.00 0.00 H new ATOM 0 HG3 MET A 75 3.691 14.613 -2.690 1.00 0.00 H new ATOM 0 HE1 MET A 75 3.791 13.898 -6.319 1.00 0.00 H new ATOM 0 HE2 MET A 75 4.081 15.067 -5.009 1.00 0.00 H new ATOM 0 HE3 MET A 75 4.799 13.441 -4.925 1.00 0.00 H new ATOM 1208 N PRO A 76 3.460 12.445 1.434 1.00 0.00 N ATOM 1209 CA PRO A 76 2.886 11.629 2.538 1.00 0.00 C ATOM 1210 C PRO A 76 1.412 11.360 2.303 1.00 0.00 C ATOM 1211 O PRO A 76 0.864 11.772 1.299 1.00 0.00 O ATOM 1212 CB PRO A 76 3.128 12.495 3.771 1.00 0.00 C ATOM 1213 CG PRO A 76 3.215 13.905 3.268 1.00 0.00 C ATOM 1214 CD PRO A 76 3.593 13.859 1.807 1.00 0.00 C ATOM 0 HA PRO A 76 3.336 10.641 2.632 1.00 0.00 H new ATOM 0 HB2 PRO A 76 2.317 12.386 4.491 1.00 0.00 H new ATOM 0 HB3 PRO A 76 4.047 12.204 4.279 1.00 0.00 H new ATOM 0 HG2 PRO A 76 2.261 14.415 3.398 1.00 0.00 H new ATOM 0 HG3 PRO A 76 3.957 14.467 3.836 1.00 0.00 H new ATOM 0 HD2 PRO A 76 2.937 14.490 1.208 1.00 0.00 H new ATOM 0 HD3 PRO A 76 4.611 14.216 1.649 1.00 0.00 H new ATOM 1222 N GLU A 77 0.750 10.648 3.194 1.00 0.00 N ATOM 1223 CA GLU A 77 -0.686 10.376 2.916 1.00 0.00 C ATOM 1224 C GLU A 77 -1.587 11.364 3.621 1.00 0.00 C ATOM 1225 O GLU A 77 -2.767 11.138 3.741 1.00 0.00 O ATOM 1226 CB GLU A 77 -0.967 8.937 3.349 1.00 0.00 C ATOM 1227 CG GLU A 77 -0.685 7.989 2.178 1.00 0.00 C ATOM 1228 CD GLU A 77 -1.196 8.587 0.859 1.00 0.00 C ATOM 1229 OE1 GLU A 77 -2.396 8.714 0.710 1.00 0.00 O ATOM 1230 OE2 GLU A 77 -0.368 8.910 0.023 1.00 0.00 O ATOM 0 H GLU A 77 1.128 10.263 4.060 1.00 0.00 H new ATOM 0 HA GLU A 77 -0.896 10.495 1.853 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -0.343 8.674 4.203 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -2.004 8.838 3.670 1.00 0.00 H new ATOM 0 HG2 GLU A 77 0.386 7.800 2.106 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -1.167 7.028 2.358 1.00 0.00 H new ATOM 1237 N LYS A 78 -1.068 12.486 4.032 1.00 0.00 N ATOM 1238 CA LYS A 78 -1.971 13.492 4.669 1.00 0.00 C ATOM 1239 C LYS A 78 -2.463 14.365 3.542 1.00 0.00 C ATOM 1240 O LYS A 78 -1.969 15.460 3.331 1.00 0.00 O ATOM 1241 CB LYS A 78 -1.098 14.282 5.657 1.00 0.00 C ATOM 1242 CG LYS A 78 -1.808 14.377 7.010 1.00 0.00 C ATOM 1243 CD LYS A 78 -0.850 14.960 8.056 1.00 0.00 C ATOM 1244 CE LYS A 78 -1.198 14.412 9.448 1.00 0.00 C ATOM 1245 NZ LYS A 78 -2.619 14.800 9.691 1.00 0.00 N ATOM 0 H LYS A 78 -0.085 12.749 3.959 1.00 0.00 H new ATOM 0 HA LYS A 78 -2.822 13.070 5.203 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -0.132 13.792 5.776 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -0.903 15.281 5.267 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -2.694 15.006 6.923 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -2.147 13.390 7.324 1.00 0.00 H new ATOM 0 HD2 LYS A 78 0.179 14.704 7.802 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -0.917 16.048 8.057 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -1.076 13.329 9.484 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -0.542 14.833 10.210 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -2.716 15.177 10.655 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -2.902 15.528 9.004 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -3.230 13.965 9.583 1.00 0.00 H new ATOM 1259 N ILE A 79 -3.393 13.860 2.765 1.00 0.00 N ATOM 1260 CA ILE A 79 -3.844 14.670 1.583 1.00 0.00 C ATOM 1261 C ILE A 79 -4.927 13.960 0.772 1.00 0.00 C ATOM 1262 O ILE A 79 -5.166 12.781 0.936 1.00 0.00 O ATOM 1263 CB ILE A 79 -2.552 14.829 0.730 1.00 0.00 C ATOM 1264 CG1 ILE A 79 -2.877 14.964 -0.766 1.00 0.00 C ATOM 1265 CG2 ILE A 79 -1.627 13.605 0.921 1.00 0.00 C ATOM 1266 CD1 ILE A 79 -1.579 15.131 -1.560 1.00 0.00 C ATOM 0 H ILE A 79 -3.847 12.955 2.889 1.00 0.00 H new ATOM 0 HA ILE A 79 -4.287 15.617 1.890 1.00 0.00 H new ATOM 0 HB ILE A 79 -2.053 15.736 1.070 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -3.416 14.082 -1.112 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -3.529 15.822 -0.931 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -0.728 13.731 0.318 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -1.350 13.519 1.972 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -2.150 12.701 0.608 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -1.811 15.227 -2.621 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -1.057 16.026 -1.221 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -0.943 14.260 -1.405 1.00 0.00 H new ATOM 1278 N SER A 80 -5.506 14.661 -0.178 1.00 0.00 N ATOM 1279 CA SER A 80 -6.499 14.015 -1.092 1.00 0.00 C ATOM 1280 C SER A 80 -5.666 13.102 -1.975 1.00 0.00 C ATOM 1281 O SER A 80 -4.831 13.566 -2.735 1.00 0.00 O ATOM 1282 CB SER A 80 -7.128 15.152 -1.905 1.00 0.00 C ATOM 1283 OG SER A 80 -7.963 14.605 -2.922 1.00 0.00 O ATOM 0 H SER A 80 -5.333 15.650 -0.357 1.00 0.00 H new ATOM 0 HA SER A 80 -7.290 13.450 -0.598 1.00 0.00 H new ATOM 0 HB2 SER A 80 -7.711 15.801 -1.251 1.00 0.00 H new ATOM 0 HB3 SER A 80 -6.348 15.768 -2.353 1.00 0.00 H new ATOM 0 HG SER A 80 -8.366 15.332 -3.441 1.00 0.00 H new ATOM 1289 N LYS A 81 -5.792 11.812 -1.814 1.00 0.00 N ATOM 1290 CA LYS A 81 -4.896 10.899 -2.569 1.00 0.00 C ATOM 1291 C LYS A 81 -5.470 9.492 -2.511 1.00 0.00 C ATOM 1292 O LYS A 81 -6.644 9.352 -2.368 1.00 0.00 O ATOM 1293 CB LYS A 81 -3.577 11.035 -1.803 1.00 0.00 C ATOM 1294 CG LYS A 81 -2.540 11.655 -2.728 1.00 0.00 C ATOM 1295 CD LYS A 81 -1.139 11.462 -2.146 1.00 0.00 C ATOM 1296 CE LYS A 81 -0.097 12.000 -3.133 1.00 0.00 C ATOM 1297 NZ LYS A 81 0.037 10.943 -4.184 1.00 0.00 N ATOM 0 H LYS A 81 -6.468 11.358 -1.200 1.00 0.00 H new ATOM 0 HA LYS A 81 -4.775 11.124 -3.629 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -3.715 11.657 -0.919 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -3.239 10.059 -1.456 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -2.599 11.195 -3.715 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -2.746 12.717 -2.858 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -1.055 11.983 -1.192 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -0.958 10.405 -1.949 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -0.419 12.947 -3.567 1.00 0.00 H new ATOM 0 HE3 LYS A 81 0.856 12.184 -2.637 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 0.931 11.076 -4.698 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 0.032 10.005 -3.735 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -0.759 11.012 -4.850 1.00 0.00 H new ATOM 1311 N PRO A 82 -4.663 8.479 -2.643 1.00 0.00 N ATOM 1312 CA PRO A 82 -5.227 7.130 -2.554 1.00 0.00 C ATOM 1313 C PRO A 82 -5.379 6.738 -1.074 1.00 0.00 C ATOM 1314 O PRO A 82 -4.445 6.879 -0.311 1.00 0.00 O ATOM 1315 CB PRO A 82 -4.190 6.260 -3.245 1.00 0.00 C ATOM 1316 CG PRO A 82 -2.900 7.004 -3.118 1.00 0.00 C ATOM 1317 CD PRO A 82 -3.216 8.457 -2.893 1.00 0.00 C ATOM 0 HA PRO A 82 -6.213 7.035 -3.009 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -4.125 5.278 -2.776 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -4.448 6.097 -4.291 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -2.314 6.610 -2.288 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -2.300 6.881 -4.019 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -2.660 8.859 -2.046 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -2.953 9.060 -3.762 1.00 0.00 H new ATOM 1325 N PHE A 83 -6.530 6.244 -0.646 1.00 0.00 N ATOM 1326 CA PHE A 83 -6.644 5.865 0.792 1.00 0.00 C ATOM 1327 C PHE A 83 -5.656 4.774 1.078 1.00 0.00 C ATOM 1328 O PHE A 83 -5.286 4.002 0.212 1.00 0.00 O ATOM 1329 CB PHE A 83 -8.041 5.303 1.040 1.00 0.00 C ATOM 1330 CG PHE A 83 -9.005 6.403 1.389 1.00 0.00 C ATOM 1331 CD1 PHE A 83 -8.531 7.611 1.910 1.00 0.00 C ATOM 1332 CD2 PHE A 83 -10.377 6.223 1.178 1.00 0.00 C ATOM 1333 CE1 PHE A 83 -9.412 8.625 2.214 1.00 0.00 C ATOM 1334 CE2 PHE A 83 -11.259 7.256 1.478 1.00 0.00 C ATOM 1335 CZ PHE A 83 -10.764 8.458 1.998 1.00 0.00 C ATOM 0 H PHE A 83 -7.363 6.095 -1.216 1.00 0.00 H new ATOM 0 HA PHE A 83 -6.458 6.734 1.423 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -8.389 4.777 0.151 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -8.006 4.574 1.849 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -7.473 7.749 2.074 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -10.748 5.288 0.785 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -9.043 9.554 2.623 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -12.319 7.132 1.311 1.00 0.00 H new ATOM 0 HZ PHE A 83 -11.447 9.261 2.232 1.00 0.00 H new ATOM 1345 N VAL A 84 -5.227 4.710 2.287 1.00 0.00 N ATOM 1346 CA VAL A 84 -4.248 3.684 2.660 1.00 0.00 C ATOM 1347 C VAL A 84 -4.462 3.235 4.105 1.00 0.00 C ATOM 1348 O VAL A 84 -3.958 3.837 5.035 1.00 0.00 O ATOM 1349 CB VAL A 84 -2.876 4.350 2.485 1.00 0.00 C ATOM 1350 CG1 VAL A 84 -2.603 4.551 0.998 1.00 0.00 C ATOM 1351 CG2 VAL A 84 -2.847 5.712 3.192 1.00 0.00 C ATOM 0 H VAL A 84 -5.516 5.332 3.042 1.00 0.00 H new ATOM 0 HA VAL A 84 -4.340 2.789 2.045 1.00 0.00 H new ATOM 0 HB VAL A 84 -2.113 3.708 2.924 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -1.630 5.024 0.867 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -2.608 3.585 0.493 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -3.376 5.188 0.569 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -1.867 6.171 3.058 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -3.612 6.360 2.765 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -3.041 5.574 4.256 1.00 0.00 H new ATOM 1361 N LYS A 85 -5.162 2.151 4.306 1.00 0.00 N ATOM 1362 CA LYS A 85 -5.329 1.656 5.712 1.00 0.00 C ATOM 1363 C LYS A 85 -3.982 1.044 6.070 1.00 0.00 C ATOM 1364 O LYS A 85 -3.430 0.320 5.282 1.00 0.00 O ATOM 1365 CB LYS A 85 -6.455 0.624 5.686 1.00 0.00 C ATOM 1366 CG LYS A 85 -7.623 1.118 6.547 1.00 0.00 C ATOM 1367 CD LYS A 85 -8.410 2.197 5.790 1.00 0.00 C ATOM 1368 CE LYS A 85 -8.273 3.543 6.517 1.00 0.00 C ATOM 1369 NZ LYS A 85 -9.522 4.307 6.202 1.00 0.00 N ATOM 0 H LYS A 85 -5.617 1.596 3.581 1.00 0.00 H new ATOM 0 HA LYS A 85 -5.593 2.418 6.445 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -6.789 0.460 4.661 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -6.093 -0.334 6.060 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -8.280 0.285 6.797 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -7.248 1.522 7.487 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -8.037 2.284 4.770 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -9.461 1.914 5.722 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -8.164 3.397 7.592 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -7.389 4.082 6.177 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -9.488 5.235 6.670 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -9.597 4.440 5.173 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -10.349 3.777 6.544 1.00 0.00 H new ATOM 1383 N LYS A 86 -3.408 1.411 7.189 1.00 0.00 N ATOM 1384 CA LYS A 86 -2.031 0.950 7.516 1.00 0.00 C ATOM 1385 C LYS A 86 -1.941 -0.183 8.537 1.00 0.00 C ATOM 1386 O LYS A 86 -1.712 0.017 9.719 1.00 0.00 O ATOM 1387 CB LYS A 86 -1.332 2.209 8.056 1.00 0.00 C ATOM 1388 CG LYS A 86 -1.994 2.672 9.363 1.00 0.00 C ATOM 1389 CD LYS A 86 -2.688 4.021 9.144 1.00 0.00 C ATOM 1390 CE LYS A 86 -4.115 3.965 9.705 1.00 0.00 C ATOM 1391 NZ LYS A 86 -3.964 4.067 11.190 1.00 0.00 N ATOM 0 H LYS A 86 -3.839 2.013 7.891 1.00 0.00 H new ATOM 0 HA LYS A 86 -1.573 0.519 6.626 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -0.276 2.000 8.230 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -1.381 3.006 7.314 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -2.719 1.930 9.697 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -1.244 2.762 10.149 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -2.125 4.815 9.635 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -2.714 4.259 8.081 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -4.722 4.782 9.315 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -4.611 3.036 9.424 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -4.507 3.307 11.647 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -2.960 3.976 11.444 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -4.320 4.989 11.513 1.00 0.00 H new ATOM 1405 N GLU A 87 -2.002 -1.367 8.047 1.00 0.00 N ATOM 1406 CA GLU A 87 -1.800 -2.560 8.922 1.00 0.00 C ATOM 1407 C GLU A 87 -0.289 -2.906 8.868 1.00 0.00 C ATOM 1408 O GLU A 87 0.432 -2.442 7.989 1.00 0.00 O ATOM 1409 CB GLU A 87 -2.685 -3.670 8.350 1.00 0.00 C ATOM 1410 CG GLU A 87 -4.157 -3.370 8.662 1.00 0.00 C ATOM 1411 CD GLU A 87 -4.758 -2.495 7.557 1.00 0.00 C ATOM 1412 OE1 GLU A 87 -4.857 -2.972 6.437 1.00 0.00 O ATOM 1413 OE2 GLU A 87 -5.119 -1.368 7.852 1.00 0.00 O ATOM 0 H GLU A 87 -2.185 -1.578 7.066 1.00 0.00 H new ATOM 0 HA GLU A 87 -2.073 -2.403 9.965 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -2.540 -3.745 7.272 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -2.401 -4.632 8.778 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -4.717 -4.301 8.745 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -4.238 -2.863 9.623 1.00 0.00 H new ATOM 1420 N ARG A 88 0.215 -3.665 9.811 1.00 0.00 N ATOM 1421 CA ARG A 88 1.700 -3.934 9.851 1.00 0.00 C ATOM 1422 C ARG A 88 2.272 -4.470 8.530 1.00 0.00 C ATOM 1423 O ARG A 88 1.603 -5.092 7.732 1.00 0.00 O ATOM 1424 CB ARG A 88 1.900 -4.964 10.969 1.00 0.00 C ATOM 1425 CG ARG A 88 1.794 -4.278 12.339 1.00 0.00 C ATOM 1426 CD ARG A 88 2.790 -3.112 12.428 1.00 0.00 C ATOM 1427 NE ARG A 88 3.839 -3.561 13.389 1.00 0.00 N ATOM 1428 CZ ARG A 88 5.093 -3.566 13.029 1.00 0.00 C ATOM 1429 NH1 ARG A 88 5.574 -4.584 12.369 1.00 0.00 N ATOM 1430 NH2 ARG A 88 5.855 -2.543 13.312 1.00 0.00 N ATOM 0 H ARG A 88 -0.327 -4.110 10.552 1.00 0.00 H new ATOM 0 HA ARG A 88 2.233 -3.000 10.025 1.00 0.00 H new ATOM 0 HB2 ARG A 88 1.150 -5.751 10.888 1.00 0.00 H new ATOM 0 HB3 ARG A 88 2.875 -5.440 10.866 1.00 0.00 H new ATOM 0 HG2 ARG A 88 0.779 -3.911 12.492 1.00 0.00 H new ATOM 0 HG3 ARG A 88 1.995 -4.999 13.131 1.00 0.00 H new ATOM 0 HD2 ARG A 88 3.221 -2.888 11.452 1.00 0.00 H new ATOM 0 HD3 ARG A 88 2.301 -2.203 12.777 1.00 0.00 H new ATOM 0 HE ARG A 88 3.576 -3.864 14.327 1.00 0.00 H new ATOM 0 HH11 ARG A 88 4.970 -5.372 12.136 1.00 0.00 H new ATOM 0 HH12 ARG A 88 6.554 -4.591 12.086 1.00 0.00 H new ATOM 0 HH21 ARG A 88 5.469 -1.743 13.813 1.00 0.00 H new ATOM 0 HH22 ARG A 88 6.836 -2.545 13.032 1.00 0.00 H new ATOM 1444 N ILE A 89 3.537 -4.179 8.307 1.00 0.00 N ATOM 1445 CA ILE A 89 4.237 -4.596 7.055 1.00 0.00 C ATOM 1446 C ILE A 89 5.573 -5.279 7.400 1.00 0.00 C ATOM 1447 O ILE A 89 6.130 -5.065 8.463 1.00 0.00 O ATOM 1448 CB ILE A 89 4.495 -3.271 6.314 1.00 0.00 C ATOM 1449 CG1 ILE A 89 3.162 -2.610 5.943 1.00 0.00 C ATOM 1450 CG2 ILE A 89 5.305 -3.521 5.038 1.00 0.00 C ATOM 1451 CD1 ILE A 89 3.429 -1.270 5.253 1.00 0.00 C ATOM 0 H ILE A 89 4.122 -3.657 8.960 1.00 0.00 H new ATOM 0 HA ILE A 89 3.659 -5.306 6.463 1.00 0.00 H new ATOM 0 HB ILE A 89 5.060 -2.612 6.974 1.00 0.00 H new ATOM 0 HG12 ILE A 89 2.592 -3.263 5.283 1.00 0.00 H new ATOM 0 HG13 ILE A 89 2.559 -2.456 6.838 1.00 0.00 H new ATOM 0 HG21 ILE A 89 5.479 -2.575 4.526 1.00 0.00 H new ATOM 0 HG22 ILE A 89 6.262 -3.974 5.297 1.00 0.00 H new ATOM 0 HG23 ILE A 89 4.752 -4.192 4.381 1.00 0.00 H new ATOM 0 HD11 ILE A 89 2.481 -0.801 4.990 1.00 0.00 H new ATOM 0 HD12 ILE A 89 3.982 -0.617 5.928 1.00 0.00 H new ATOM 0 HD13 ILE A 89 4.015 -1.437 4.349 1.00 0.00 H new ATOM 1463 N GLU A 90 6.097 -6.076 6.497 1.00 0.00 N ATOM 1464 CA GLU A 90 7.407 -6.763 6.741 1.00 0.00 C ATOM 1465 C GLU A 90 8.185 -6.892 5.423 1.00 0.00 C ATOM 1466 O GLU A 90 7.605 -7.011 4.362 1.00 0.00 O ATOM 1467 CB GLU A 90 7.051 -8.146 7.295 1.00 0.00 C ATOM 1468 CG GLU A 90 7.448 -8.225 8.774 1.00 0.00 C ATOM 1469 CD GLU A 90 8.942 -7.927 8.921 1.00 0.00 C ATOM 1470 OE1 GLU A 90 9.728 -8.830 8.712 1.00 0.00 O ATOM 1471 OE2 GLU A 90 9.273 -6.794 9.232 1.00 0.00 O ATOM 0 H GLU A 90 5.669 -6.281 5.594 1.00 0.00 H new ATOM 0 HA GLU A 90 8.038 -6.207 7.434 1.00 0.00 H new ATOM 0 HB2 GLU A 90 5.982 -8.329 7.185 1.00 0.00 H new ATOM 0 HB3 GLU A 90 7.567 -8.920 6.728 1.00 0.00 H new ATOM 0 HG2 GLU A 90 6.865 -7.511 9.356 1.00 0.00 H new ATOM 0 HG3 GLU A 90 7.224 -9.216 9.169 1.00 0.00 H new ATOM 1478 N LYS A 91 9.496 -6.853 5.469 1.00 0.00 N ATOM 1479 CA LYS A 91 10.286 -6.949 4.213 1.00 0.00 C ATOM 1480 C LYS A 91 11.644 -7.625 4.432 1.00 0.00 C ATOM 1481 O LYS A 91 12.268 -7.478 5.466 1.00 0.00 O ATOM 1482 CB LYS A 91 10.506 -5.495 3.799 1.00 0.00 C ATOM 1483 CG LYS A 91 10.401 -5.389 2.285 1.00 0.00 C ATOM 1484 CD LYS A 91 11.796 -5.498 1.650 1.00 0.00 C ATOM 1485 CE LYS A 91 12.683 -4.333 2.117 1.00 0.00 C ATOM 1486 NZ LYS A 91 14.085 -4.833 2.002 1.00 0.00 N ATOM 0 H LYS A 91 10.046 -6.759 6.323 1.00 0.00 H new ATOM 0 HA LYS A 91 9.766 -7.549 3.466 1.00 0.00 H new ATOM 0 HB2 LYS A 91 9.765 -4.852 4.274 1.00 0.00 H new ATOM 0 HB3 LYS A 91 11.485 -5.153 4.133 1.00 0.00 H new ATOM 0 HG2 LYS A 91 9.756 -6.179 1.901 1.00 0.00 H new ATOM 0 HG3 LYS A 91 9.941 -4.440 2.010 1.00 0.00 H new ATOM 0 HD2 LYS A 91 12.256 -6.448 1.924 1.00 0.00 H new ATOM 0 HD3 LYS A 91 11.711 -5.487 0.563 1.00 0.00 H new ATOM 0 HE2 LYS A 91 12.529 -3.449 1.498 1.00 0.00 H new ATOM 0 HE3 LYS A 91 12.450 -4.048 3.143 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 14.742 -4.107 2.353 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 14.192 -5.699 2.567 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 14.299 -5.041 1.006 1.00 0.00 H new ATOM 1500 N LEU A 92 12.101 -8.362 3.453 1.00 0.00 N ATOM 1501 CA LEU A 92 13.418 -9.047 3.561 1.00 0.00 C ATOM 1502 C LEU A 92 14.547 -8.011 3.455 1.00 0.00 C ATOM 1503 O LEU A 92 14.304 -6.820 3.325 1.00 0.00 O ATOM 1504 CB LEU A 92 13.461 -10.022 2.369 1.00 0.00 C ATOM 1505 CG LEU A 92 13.837 -9.281 1.074 1.00 0.00 C ATOM 1506 CD1 LEU A 92 15.025 -9.982 0.413 1.00 0.00 C ATOM 1507 CD2 LEU A 92 12.646 -9.287 0.111 1.00 0.00 C ATOM 0 H LEU A 92 11.609 -8.519 2.573 1.00 0.00 H new ATOM 0 HA LEU A 92 13.544 -9.567 4.510 1.00 0.00 H new ATOM 0 HB2 LEU A 92 14.186 -10.812 2.565 1.00 0.00 H new ATOM 0 HB3 LEU A 92 12.490 -10.502 2.250 1.00 0.00 H new ATOM 0 HG LEU A 92 14.105 -8.252 1.313 1.00 0.00 H new ATOM 0 HD11 LEU A 92 15.292 -9.458 -0.505 1.00 0.00 H new ATOM 0 HD12 LEU A 92 15.876 -9.977 1.095 1.00 0.00 H new ATOM 0 HD13 LEU A 92 14.755 -11.011 0.177 1.00 0.00 H new ATOM 0 HD21 LEU A 92 12.916 -8.761 -0.805 1.00 0.00 H new ATOM 0 HD22 LEU A 92 12.376 -10.316 -0.127 1.00 0.00 H new ATOM 0 HD23 LEU A 92 11.797 -8.788 0.579 1.00 0.00 H new ATOM 1519 N GLU A 93 15.766 -8.457 3.493 1.00 0.00 N ATOM 1520 CA GLU A 93 16.921 -7.512 3.381 1.00 0.00 C ATOM 1521 C GLU A 93 16.958 -6.900 1.973 1.00 0.00 C ATOM 1522 O GLU A 93 16.778 -5.698 1.859 1.00 0.00 O ATOM 1523 CB GLU A 93 18.170 -8.368 3.641 1.00 0.00 C ATOM 1524 CG GLU A 93 19.082 -7.666 4.654 1.00 0.00 C ATOM 1525 CD GLU A 93 18.362 -7.530 5.997 1.00 0.00 C ATOM 1526 OE1 GLU A 93 18.202 -8.538 6.669 1.00 0.00 O ATOM 1527 OE2 GLU A 93 17.984 -6.419 6.329 1.00 0.00 O ATOM 1528 OXT GLU A 93 17.148 -7.644 1.023 1.00 0.00 O ATOM 0 H GLU A 93 16.021 -9.439 3.597 1.00 0.00 H new ATOM 0 HA GLU A 93 16.853 -6.684 4.086 1.00 0.00 H new ATOM 0 HB2 GLU A 93 17.878 -9.348 4.019 1.00 0.00 H new ATOM 0 HB3 GLU A 93 18.708 -8.534 2.708 1.00 0.00 H new ATOM 0 HG2 GLU A 93 20.003 -8.234 4.782 1.00 0.00 H new ATOM 0 HG3 GLU A 93 19.364 -6.681 4.281 1.00 0.00 H new TER 1535 GLU A 93