USER MOD reduce.3.24.130724 H: found=0, std=0, add=623, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 618 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 18 LYS NZ :NH3+ 147:sc= -0.101 (180deg=-0.408) USER MOD Set 1.2: A 63 GLN : amide:sc= -1.1 K(o=-1.2,f=-2.3!) USER MOD Set 2.1: A 8 SER OG : rot 77:sc= 0.293 USER MOD Set 2.2: A 55 CYS SG : rot 90:sc= 0.151 USER MOD Set 3.1: A 6 SER OG : rot 125:sc= 0.0763 USER MOD Set 3.2: A 28 GLN : amide:sc= -5.83 K(o=-5.8,f=-8!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 5:sc= 0.738 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 36:sc= 0.251 USER MOD Single : A 20 HIS : no HD1:sc= -0.807! C(o=-0.81!,f=-0.97!) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.0304 USER MOD Single : A 23 LYS NZ :NH3+ -165:sc= -0.0116 (180deg=-0.214) USER MOD Single : A 25 THR OG1 : rot 180:sc= -0.556 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 MET CE :methyl -163:sc= -4.53 (180deg=-5.85!) USER MOD Single : A 44 GLN : amide:sc=-0.000818 X(o=-0.00082,f=-0.038) USER MOD Single : A 46 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 56 GLN : amide:sc= -3.39! C(o=-3.4!,f=-4.6!) USER MOD Single : A 58 THR OG1 : rot -113:sc= 1.09! USER MOD Single : A 66 LYS NZ :NH3+ -154:sc= 0 (180deg=-0.00992) USER MOD Single : A 70 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 71 ASN : amide:sc= -0.0137 X(o=-0.014,f=0) USER MOD Single : A 72 ASN : amide:sc= -4.24! C(o=-4.2!,f=-5.4!) USER MOD Single : A 73 LYS NZ :NH3+ -157:sc= 1.21 (180deg=1.03) USER MOD Single : A 74 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 34:sc= 0.295 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 0.929 15.855 7.014 1.00 0.00 N ATOM 2 CA GLY A 1 0.187 14.965 6.137 1.00 0.00 C ATOM 3 C GLY A 1 0.019 15.581 4.747 1.00 0.00 C ATOM 4 O GLY A 1 -1.102 15.836 4.308 1.00 0.00 O ATOM 0 H1 GLY A 1 1.030 15.415 7.951 1.00 0.00 H new ATOM 0 H2 GLY A 1 1.871 16.033 6.612 1.00 0.00 H new ATOM 0 H3 GLY A 1 0.418 16.756 7.108 1.00 0.00 H new ATOM 0 HA2 GLY A 1 0.708 14.011 6.056 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -0.793 14.757 6.568 1.00 0.00 H new ATOM 8 N SER A 2 1.149 15.803 4.091 1.00 0.00 N ATOM 9 CA SER A 2 1.140 16.385 2.760 1.00 0.00 C ATOM 10 C SER A 2 1.531 15.328 1.725 1.00 0.00 C ATOM 11 O SER A 2 2.671 15.298 1.263 1.00 0.00 O ATOM 12 CB SER A 2 2.086 17.584 2.677 1.00 0.00 C ATOM 13 OG SER A 2 1.556 18.729 3.340 1.00 0.00 O ATOM 0 H SER A 2 2.077 15.590 4.457 1.00 0.00 H new ATOM 0 HA SER A 2 0.131 16.738 2.547 1.00 0.00 H new ATOM 0 HB2 SER A 2 3.046 17.320 3.121 1.00 0.00 H new ATOM 0 HB3 SER A 2 2.274 17.826 1.631 1.00 0.00 H new ATOM 0 HG SER A 2 2.190 19.473 3.266 1.00 0.00 H new ATOM 19 N SER A 3 0.564 14.486 1.391 1.00 0.00 N ATOM 20 CA SER A 3 0.793 13.431 0.419 1.00 0.00 C ATOM 21 C SER A 3 -0.540 12.961 -0.167 1.00 0.00 C ATOM 22 O SER A 3 -1.604 13.331 0.327 1.00 0.00 O ATOM 23 CB SER A 3 1.540 12.254 1.049 1.00 0.00 C ATOM 24 OG SER A 3 2.869 12.605 1.426 1.00 0.00 O ATOM 0 H SER A 3 -0.380 14.513 1.776 1.00 0.00 H new ATOM 0 HA SER A 3 1.413 13.833 -0.382 1.00 0.00 H new ATOM 0 HB2 SER A 3 0.994 11.906 1.926 1.00 0.00 H new ATOM 0 HB3 SER A 3 1.571 11.424 0.343 1.00 0.00 H new ATOM 0 HG SER A 3 3.009 13.564 1.277 1.00 0.00 H new ATOM 30 N GLY A 4 -0.439 12.152 -1.211 1.00 0.00 N ATOM 31 CA GLY A 4 -1.623 11.628 -1.870 1.00 0.00 C ATOM 32 C GLY A 4 -2.004 10.258 -1.304 1.00 0.00 C ATOM 33 O GLY A 4 -1.981 9.258 -2.020 1.00 0.00 O ATOM 0 H GLY A 4 0.445 11.846 -1.617 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -2.453 12.323 -1.741 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -1.441 11.545 -2.941 1.00 0.00 H new ATOM 37 N SER A 5 -2.345 10.256 -0.024 1.00 0.00 N ATOM 38 CA SER A 5 -2.730 9.026 0.647 1.00 0.00 C ATOM 39 C SER A 5 -3.880 8.356 -0.109 1.00 0.00 C ATOM 40 O SER A 5 -5.015 8.828 -0.063 1.00 0.00 O ATOM 41 CB SER A 5 -3.132 9.292 2.098 1.00 0.00 C ATOM 42 OG SER A 5 -2.609 8.308 2.986 1.00 0.00 O ATOM 0 H SER A 5 -2.363 11.087 0.567 1.00 0.00 H new ATOM 0 HA SER A 5 -1.870 8.357 0.655 1.00 0.00 H new ATOM 0 HB2 SER A 5 -2.775 10.277 2.398 1.00 0.00 H new ATOM 0 HB3 SER A 5 -4.219 9.309 2.176 1.00 0.00 H new ATOM 0 HG SER A 5 -2.887 8.514 3.903 1.00 0.00 H new ATOM 48 N SER A 6 -3.546 7.268 -0.786 1.00 0.00 N ATOM 49 CA SER A 6 -4.537 6.529 -1.550 1.00 0.00 C ATOM 50 C SER A 6 -5.804 6.335 -0.715 1.00 0.00 C ATOM 51 O SER A 6 -6.889 6.750 -1.120 1.00 0.00 O ATOM 52 CB SER A 6 -3.986 5.174 -2.002 1.00 0.00 C ATOM 53 OG SER A 6 -2.860 5.316 -2.863 1.00 0.00 O ATOM 0 H SER A 6 -2.603 6.880 -0.822 1.00 0.00 H new ATOM 0 HA SER A 6 -4.782 7.107 -2.441 1.00 0.00 H new ATOM 0 HB2 SER A 6 -3.702 4.588 -1.128 1.00 0.00 H new ATOM 0 HB3 SER A 6 -4.769 4.618 -2.518 1.00 0.00 H new ATOM 0 HG SER A 6 -2.103 4.812 -2.498 1.00 0.00 H new ATOM 59 N GLY A 7 -5.625 5.703 0.436 1.00 0.00 N ATOM 60 CA GLY A 7 -6.740 5.449 1.332 1.00 0.00 C ATOM 61 C GLY A 7 -7.406 4.109 1.012 1.00 0.00 C ATOM 62 O GLY A 7 -7.692 3.815 -0.147 1.00 0.00 O ATOM 0 H GLY A 7 -4.724 5.359 0.768 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -6.389 5.447 2.364 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -7.471 6.253 1.245 1.00 0.00 H new ATOM 66 N SER A 8 -7.633 3.333 2.061 1.00 0.00 N ATOM 67 CA SER A 8 -8.260 2.031 1.907 1.00 0.00 C ATOM 68 C SER A 8 -9.697 2.077 2.429 1.00 0.00 C ATOM 69 O SER A 8 -9.971 1.634 3.544 1.00 0.00 O ATOM 70 CB SER A 8 -7.464 0.946 2.637 1.00 0.00 C ATOM 71 OG SER A 8 -7.030 -0.083 1.753 1.00 0.00 O ATOM 0 H SER A 8 -7.394 3.581 3.021 1.00 0.00 H new ATOM 0 HA SER A 8 -8.274 1.782 0.846 1.00 0.00 H new ATOM 0 HB2 SER A 8 -6.598 1.396 3.122 1.00 0.00 H new ATOM 0 HB3 SER A 8 -8.080 0.512 3.424 1.00 0.00 H new ATOM 0 HG SER A 8 -6.258 0.232 1.238 1.00 0.00 H new ATOM 77 N SER A 9 -10.578 2.616 1.599 1.00 0.00 N ATOM 78 CA SER A 9 -11.980 2.726 1.963 1.00 0.00 C ATOM 79 C SER A 9 -12.836 2.894 0.706 1.00 0.00 C ATOM 80 O SER A 9 -12.784 3.934 0.051 1.00 0.00 O ATOM 81 CB SER A 9 -12.210 3.895 2.922 1.00 0.00 C ATOM 82 OG SER A 9 -11.650 5.109 2.429 1.00 0.00 O ATOM 0 H SER A 9 -10.348 2.981 0.675 1.00 0.00 H new ATOM 0 HA SER A 9 -12.273 1.809 2.474 1.00 0.00 H new ATOM 0 HB2 SER A 9 -13.280 4.028 3.081 1.00 0.00 H new ATOM 0 HB3 SER A 9 -11.770 3.660 3.891 1.00 0.00 H new ATOM 0 HG SER A 9 -11.741 5.139 1.454 1.00 0.00 H new ATOM 88 N ALA A 10 -13.602 1.856 0.407 1.00 0.00 N ATOM 89 CA ALA A 10 -14.468 1.876 -0.760 1.00 0.00 C ATOM 90 C ALA A 10 -15.837 1.305 -0.384 1.00 0.00 C ATOM 91 O ALA A 10 -16.045 0.094 -0.441 1.00 0.00 O ATOM 92 CB ALA A 10 -13.806 1.100 -1.900 1.00 0.00 C ATOM 0 H ALA A 10 -13.641 0.995 0.953 1.00 0.00 H new ATOM 0 HA ALA A 10 -14.621 2.898 -1.107 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -14.455 1.115 -2.775 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -12.851 1.563 -2.149 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -13.639 0.069 -1.589 1.00 0.00 H new ATOM 98 N GLU A 11 -16.734 2.204 -0.009 1.00 0.00 N ATOM 99 CA GLU A 11 -18.078 1.806 0.376 1.00 0.00 C ATOM 100 C GLU A 11 -19.062 2.093 -0.759 1.00 0.00 C ATOM 101 O GLU A 11 -19.121 3.212 -1.266 1.00 0.00 O ATOM 102 CB GLU A 11 -18.509 2.505 1.666 1.00 0.00 C ATOM 103 CG GLU A 11 -18.612 1.508 2.822 1.00 0.00 C ATOM 104 CD GLU A 11 -17.393 1.606 3.741 1.00 0.00 C ATOM 105 OE1 GLU A 11 -16.268 1.578 3.197 1.00 0.00 O ATOM 106 OE2 GLU A 11 -17.613 1.707 4.968 1.00 0.00 O ATOM 0 H GLU A 11 -16.557 3.207 0.037 1.00 0.00 H new ATOM 0 HA GLU A 11 -18.077 0.733 0.567 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -17.792 3.286 1.918 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -19.472 2.993 1.515 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -19.519 1.701 3.394 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -18.694 0.495 2.427 1.00 0.00 H new ATOM 113 N ALA A 12 -19.812 1.064 -1.125 1.00 0.00 N ATOM 114 CA ALA A 12 -20.791 1.192 -2.191 1.00 0.00 C ATOM 115 C ALA A 12 -22.141 0.662 -1.703 1.00 0.00 C ATOM 116 O ALA A 12 -23.121 1.404 -1.649 1.00 0.00 O ATOM 117 CB ALA A 12 -20.291 0.456 -3.435 1.00 0.00 C ATOM 0 H ALA A 12 -19.761 0.137 -0.702 1.00 0.00 H new ATOM 0 HA ALA A 12 -20.926 2.238 -2.464 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -21.026 0.552 -4.234 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -19.344 0.889 -3.758 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -20.146 -0.599 -3.200 1.00 0.00 H new ATOM 123 N GLY A 13 -22.149 -0.618 -1.361 1.00 0.00 N ATOM 124 CA GLY A 13 -23.363 -1.256 -0.880 1.00 0.00 C ATOM 125 C GLY A 13 -23.049 -2.595 -0.208 1.00 0.00 C ATOM 126 O GLY A 13 -23.547 -3.637 -0.630 1.00 0.00 O ATOM 0 H GLY A 13 -21.335 -1.230 -1.407 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -23.867 -0.599 -0.172 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -24.049 -1.415 -1.712 1.00 0.00 H new ATOM 130 N GLY A 14 -22.226 -2.522 0.828 1.00 0.00 N ATOM 131 CA GLY A 14 -21.840 -3.714 1.563 1.00 0.00 C ATOM 132 C GLY A 14 -20.583 -4.346 0.961 1.00 0.00 C ATOM 133 O GLY A 14 -19.513 -4.306 1.567 1.00 0.00 O ATOM 0 H GLY A 14 -21.816 -1.655 1.176 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -21.659 -3.459 2.607 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -22.657 -4.435 1.548 1.00 0.00 H new ATOM 137 N GLY A 15 -20.754 -4.915 -0.223 1.00 0.00 N ATOM 138 CA GLY A 15 -19.647 -5.554 -0.913 1.00 0.00 C ATOM 139 C GLY A 15 -18.770 -4.519 -1.620 1.00 0.00 C ATOM 140 O GLY A 15 -19.261 -3.731 -2.427 1.00 0.00 O ATOM 0 H GLY A 15 -21.643 -4.947 -0.722 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -19.046 -6.118 -0.200 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -20.031 -6.268 -1.641 1.00 0.00 H new ATOM 144 N ILE A 16 -17.487 -4.554 -1.292 1.00 0.00 N ATOM 145 CA ILE A 16 -16.537 -3.628 -1.885 1.00 0.00 C ATOM 146 C ILE A 16 -16.525 -3.819 -3.403 1.00 0.00 C ATOM 147 O ILE A 16 -15.900 -4.749 -3.911 1.00 0.00 O ATOM 148 CB ILE A 16 -15.160 -3.783 -1.236 1.00 0.00 C ATOM 149 CG1 ILE A 16 -14.753 -5.256 -1.159 1.00 0.00 C ATOM 150 CG2 ILE A 16 -15.122 -3.105 0.136 1.00 0.00 C ATOM 151 CD1 ILE A 16 -13.239 -5.414 -1.311 1.00 0.00 C ATOM 0 H ILE A 16 -17.083 -5.209 -0.623 1.00 0.00 H new ATOM 0 HA ILE A 16 -16.840 -2.598 -1.694 1.00 0.00 H new ATOM 0 HB ILE A 16 -14.426 -3.279 -1.865 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -15.072 -5.676 -0.205 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -15.262 -5.819 -1.942 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -14.133 -3.230 0.576 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -15.338 -2.043 0.023 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -15.869 -3.559 0.787 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -12.976 -6.470 -1.253 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -12.927 -5.015 -2.276 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -12.734 -4.870 -0.513 1.00 0.00 H new ATOM 163 N ARG A 17 -17.224 -2.924 -4.086 1.00 0.00 N ATOM 164 CA ARG A 17 -17.302 -2.983 -5.535 1.00 0.00 C ATOM 165 C ARG A 17 -16.084 -2.301 -6.161 1.00 0.00 C ATOM 166 O ARG A 17 -15.517 -1.378 -5.577 1.00 0.00 O ATOM 167 CB ARG A 17 -18.575 -2.305 -6.046 1.00 0.00 C ATOM 168 CG ARG A 17 -19.147 -3.050 -7.254 1.00 0.00 C ATOM 169 CD ARG A 17 -18.826 -2.312 -8.556 1.00 0.00 C ATOM 170 NE ARG A 17 -18.688 -3.281 -9.666 1.00 0.00 N ATOM 171 CZ ARG A 17 -19.708 -3.977 -10.186 1.00 0.00 C ATOM 172 NH1 ARG A 17 -20.946 -3.816 -9.701 1.00 0.00 N ATOM 173 NH2 ARG A 17 -19.489 -4.835 -11.193 1.00 0.00 N ATOM 0 H ARG A 17 -17.741 -2.154 -3.662 1.00 0.00 H new ATOM 0 HA ARG A 17 -17.322 -4.034 -5.823 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -19.318 -2.272 -5.249 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -18.356 -1.273 -6.321 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -18.735 -4.058 -7.292 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -20.227 -3.151 -7.146 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -19.617 -1.597 -8.783 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -17.904 -1.742 -8.443 1.00 0.00 H new ATOM 0 HE ARG A 17 -17.759 -3.428 -10.060 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -21.113 -3.163 -8.935 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -21.722 -4.346 -10.097 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -18.546 -4.958 -11.563 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -20.265 -5.365 -11.589 1.00 0.00 H new ATOM 187 N LYS A 18 -15.716 -2.781 -7.339 1.00 0.00 N ATOM 188 CA LYS A 18 -14.575 -2.230 -8.050 1.00 0.00 C ATOM 189 C LYS A 18 -14.715 -2.533 -9.543 1.00 0.00 C ATOM 190 O LYS A 18 -15.670 -3.185 -9.961 1.00 0.00 O ATOM 191 CB LYS A 18 -13.268 -2.737 -7.439 1.00 0.00 C ATOM 192 CG LYS A 18 -13.230 -4.266 -7.416 1.00 0.00 C ATOM 193 CD LYS A 18 -13.669 -4.805 -6.053 1.00 0.00 C ATOM 194 CE LYS A 18 -14.533 -6.058 -6.212 1.00 0.00 C ATOM 195 NZ LYS A 18 -13.874 -7.033 -7.109 1.00 0.00 N ATOM 0 H LYS A 18 -16.188 -3.547 -7.820 1.00 0.00 H new ATOM 0 HA LYS A 18 -14.549 -1.145 -7.946 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -12.423 -2.357 -8.013 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -13.163 -2.352 -6.425 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -13.882 -4.661 -8.195 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -12.221 -4.612 -7.640 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -12.791 -5.038 -5.450 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -14.229 -4.038 -5.518 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -14.707 -6.513 -5.237 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -15.508 -5.785 -6.616 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -14.108 -7.999 -6.804 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -14.206 -6.888 -8.084 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -12.843 -6.898 -7.071 1.00 0.00 H new ATOM 209 N ARG A 19 -13.748 -2.044 -10.306 1.00 0.00 N ATOM 210 CA ARG A 19 -13.751 -2.255 -11.744 1.00 0.00 C ATOM 211 C ARG A 19 -12.555 -1.550 -12.386 1.00 0.00 C ATOM 212 O ARG A 19 -11.838 -2.143 -13.191 1.00 0.00 O ATOM 213 CB ARG A 19 -15.042 -1.730 -12.375 1.00 0.00 C ATOM 214 CG ARG A 19 -15.244 -0.247 -12.058 1.00 0.00 C ATOM 215 CD ARG A 19 -16.654 0.209 -12.440 1.00 0.00 C ATOM 216 NE ARG A 19 -16.972 1.488 -11.767 1.00 0.00 N ATOM 217 CZ ARG A 19 -18.031 2.252 -12.068 1.00 0.00 C ATOM 218 NH1 ARG A 19 -18.880 1.871 -13.032 1.00 0.00 N ATOM 219 NH2 ARG A 19 -18.241 3.397 -11.405 1.00 0.00 N ATOM 0 H ARG A 19 -12.958 -1.503 -9.956 1.00 0.00 H new ATOM 0 HA ARG A 19 -13.683 -3.328 -11.922 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -15.007 -1.873 -13.455 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -15.892 -2.304 -12.004 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -15.077 -0.073 -10.995 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -14.507 0.348 -12.598 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -16.726 0.330 -13.521 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -17.381 -0.552 -12.155 1.00 0.00 H new ATOM 0 HE ARG A 19 -16.346 1.808 -11.028 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -18.720 0.999 -13.537 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -19.686 2.453 -13.261 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -17.595 3.687 -10.671 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -19.047 3.979 -11.634 1.00 0.00 H new ATOM 233 N HIS A 20 -12.375 -0.293 -12.006 1.00 0.00 N ATOM 234 CA HIS A 20 -11.278 0.499 -12.534 1.00 0.00 C ATOM 235 C HIS A 20 -11.330 1.908 -11.941 1.00 0.00 C ATOM 236 O HIS A 20 -12.213 2.696 -12.278 1.00 0.00 O ATOM 237 CB HIS A 20 -11.296 0.499 -14.064 1.00 0.00 C ATOM 238 CG HIS A 20 -11.787 1.791 -14.673 1.00 0.00 C ATOM 239 ND1 HIS A 20 -13.128 2.056 -14.887 1.00 0.00 N ATOM 240 CD2 HIS A 20 -11.103 2.888 -15.109 1.00 0.00 C ATOM 241 CE1 HIS A 20 -13.236 3.260 -15.429 1.00 0.00 C ATOM 242 NE2 HIS A 20 -11.979 3.774 -15.566 1.00 0.00 N ATOM 0 H HIS A 20 -12.971 0.196 -11.338 1.00 0.00 H new ATOM 0 HA HIS A 20 -10.328 0.053 -12.239 1.00 0.00 H new ATOM 0 HB2 HIS A 20 -10.289 0.297 -14.429 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -11.930 -0.318 -14.410 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -10.031 3.014 -15.086 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -14.156 3.749 -15.712 1.00 0.00 H new ATOM 0 HE2 HIS A 20 -11.751 4.689 -15.956 1.00 0.00 H new ATOM 250 N ARG A 21 -10.372 2.184 -11.068 1.00 0.00 N ATOM 251 CA ARG A 21 -10.297 3.484 -10.424 1.00 0.00 C ATOM 252 C ARG A 21 -9.037 3.578 -9.562 1.00 0.00 C ATOM 253 O ARG A 21 -9.068 4.144 -8.470 1.00 0.00 O ATOM 254 CB ARG A 21 -11.526 3.736 -9.548 1.00 0.00 C ATOM 255 CG ARG A 21 -11.598 5.201 -9.112 1.00 0.00 C ATOM 256 CD ARG A 21 -12.814 5.897 -9.727 1.00 0.00 C ATOM 257 NE ARG A 21 -13.202 7.062 -8.900 1.00 0.00 N ATOM 258 CZ ARG A 21 -12.605 8.260 -8.963 1.00 0.00 C ATOM 259 NH1 ARG A 21 -11.589 8.458 -9.813 1.00 0.00 N ATOM 260 NH2 ARG A 21 -13.024 9.259 -8.175 1.00 0.00 N ATOM 0 H ARG A 21 -9.641 1.529 -10.792 1.00 0.00 H new ATOM 0 HA ARG A 21 -10.262 4.241 -11.208 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -12.429 3.472 -10.098 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -11.488 3.093 -8.669 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -11.653 5.258 -8.025 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -10.687 5.719 -9.413 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -12.583 6.222 -10.742 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -13.647 5.197 -9.798 1.00 0.00 H new ATOM 0 HE ARG A 21 -13.972 6.945 -8.241 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -11.270 7.697 -10.412 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -11.135 9.370 -9.861 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -13.797 9.108 -7.527 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -12.570 10.171 -8.223 1.00 0.00 H new ATOM 274 N THR A 22 -7.958 3.015 -10.085 1.00 0.00 N ATOM 275 CA THR A 22 -6.689 3.028 -9.377 1.00 0.00 C ATOM 276 C THR A 22 -5.738 4.049 -10.006 1.00 0.00 C ATOM 277 O THR A 22 -5.894 4.413 -11.170 1.00 0.00 O ATOM 278 CB THR A 22 -6.134 1.602 -9.374 1.00 0.00 C ATOM 279 OG1 THR A 22 -6.285 1.168 -10.723 1.00 0.00 O ATOM 280 CG2 THR A 22 -7.008 0.636 -8.572 1.00 0.00 C ATOM 0 H THR A 22 -7.936 2.547 -10.991 1.00 0.00 H new ATOM 0 HA THR A 22 -6.817 3.344 -8.342 1.00 0.00 H new ATOM 0 HB THR A 22 -5.125 1.606 -8.962 1.00 0.00 H new ATOM 0 HG1 THR A 22 -5.948 0.252 -10.812 1.00 0.00 H new ATOM 0 HG21 THR A 22 -6.570 -0.362 -8.602 1.00 0.00 H new ATOM 0 HG22 THR A 22 -7.070 0.974 -7.538 1.00 0.00 H new ATOM 0 HG23 THR A 22 -8.008 0.606 -9.004 1.00 0.00 H new ATOM 288 N LYS A 23 -4.773 4.481 -9.207 1.00 0.00 N ATOM 289 CA LYS A 23 -3.797 5.453 -9.671 1.00 0.00 C ATOM 290 C LYS A 23 -2.533 5.348 -8.815 1.00 0.00 C ATOM 291 O LYS A 23 -2.227 6.254 -8.041 1.00 0.00 O ATOM 292 CB LYS A 23 -4.408 6.855 -9.697 1.00 0.00 C ATOM 293 CG LYS A 23 -4.451 7.408 -11.124 1.00 0.00 C ATOM 294 CD LYS A 23 -3.090 7.974 -11.534 1.00 0.00 C ATOM 295 CE LYS A 23 -3.101 8.423 -12.997 1.00 0.00 C ATOM 296 NZ LYS A 23 -3.184 7.252 -13.898 1.00 0.00 N ATOM 0 H LYS A 23 -4.646 4.176 -8.242 1.00 0.00 H new ATOM 0 HA LYS A 23 -3.505 5.239 -10.699 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -5.417 6.824 -9.285 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -3.825 7.522 -9.062 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -4.743 6.618 -11.815 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -5.209 8.188 -11.193 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -2.835 8.818 -10.893 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -2.319 7.218 -11.388 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -3.948 9.086 -13.174 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -2.198 8.994 -13.215 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -2.937 7.541 -14.866 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -2.521 6.519 -13.576 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -4.152 6.873 -13.886 1.00 0.00 H new ATOM 310 N PHE A 24 -1.834 4.235 -8.982 1.00 0.00 N ATOM 311 CA PHE A 24 -0.611 4.001 -8.234 1.00 0.00 C ATOM 312 C PHE A 24 0.525 4.886 -8.750 1.00 0.00 C ATOM 313 O PHE A 24 0.953 4.751 -9.895 1.00 0.00 O ATOM 314 CB PHE A 24 -0.233 2.533 -8.444 1.00 0.00 C ATOM 315 CG PHE A 24 -1.430 1.581 -8.481 1.00 0.00 C ATOM 316 CD1 PHE A 24 -2.001 1.162 -7.320 1.00 0.00 C ATOM 317 CD2 PHE A 24 -1.923 1.154 -9.674 1.00 0.00 C ATOM 318 CE1 PHE A 24 -3.112 0.278 -7.354 1.00 0.00 C ATOM 319 CE2 PHE A 24 -3.034 0.270 -9.708 1.00 0.00 C ATOM 320 CZ PHE A 24 -3.605 -0.149 -8.547 1.00 0.00 C ATOM 0 H PHE A 24 -2.091 3.486 -9.624 1.00 0.00 H new ATOM 0 HA PHE A 24 -0.768 4.235 -7.181 1.00 0.00 H new ATOM 0 HB2 PHE A 24 0.320 2.441 -9.379 1.00 0.00 H new ATOM 0 HB3 PHE A 24 0.440 2.224 -7.644 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -1.610 1.501 -6.372 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -1.470 1.487 -10.596 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -3.565 -0.055 -6.432 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -3.425 -0.069 -10.656 1.00 0.00 H new ATOM 0 HZ PHE A 24 -4.450 -0.821 -8.573 1.00 0.00 H new ATOM 330 N THR A 25 0.982 5.774 -7.878 1.00 0.00 N ATOM 331 CA THR A 25 2.061 6.682 -8.231 1.00 0.00 C ATOM 332 C THR A 25 3.416 5.999 -8.042 1.00 0.00 C ATOM 333 O THR A 25 3.506 4.959 -7.390 1.00 0.00 O ATOM 334 CB THR A 25 1.899 7.954 -7.396 1.00 0.00 C ATOM 335 OG1 THR A 25 3.213 8.504 -7.344 1.00 0.00 O ATOM 336 CG2 THR A 25 1.561 7.656 -5.934 1.00 0.00 C ATOM 0 H THR A 25 0.625 5.884 -6.929 1.00 0.00 H new ATOM 0 HA THR A 25 2.017 6.959 -9.284 1.00 0.00 H new ATOM 0 HB THR A 25 1.116 8.576 -7.829 1.00 0.00 H new ATOM 0 HG1 THR A 25 3.200 9.333 -6.822 1.00 0.00 H new ATOM 0 HG21 THR A 25 1.457 8.593 -5.386 1.00 0.00 H new ATOM 0 HG22 THR A 25 0.625 7.100 -5.883 1.00 0.00 H new ATOM 0 HG23 THR A 25 2.360 7.063 -5.489 1.00 0.00 H new ATOM 344 N ALA A 26 4.438 6.611 -8.623 1.00 0.00 N ATOM 345 CA ALA A 26 5.785 6.075 -8.526 1.00 0.00 C ATOM 346 C ALA A 26 5.977 5.435 -7.150 1.00 0.00 C ATOM 347 O ALA A 26 6.635 4.403 -7.028 1.00 0.00 O ATOM 348 CB ALA A 26 6.798 7.188 -8.798 1.00 0.00 C ATOM 0 H ALA A 26 4.360 7.473 -9.163 1.00 0.00 H new ATOM 0 HA ALA A 26 5.944 5.299 -9.275 1.00 0.00 H new ATOM 0 HB1 ALA A 26 7.809 6.786 -8.725 1.00 0.00 H new ATOM 0 HB2 ALA A 26 6.638 7.589 -9.799 1.00 0.00 H new ATOM 0 HB3 ALA A 26 6.670 7.984 -8.064 1.00 0.00 H new ATOM 354 N GLU A 27 5.390 6.073 -6.149 1.00 0.00 N ATOM 355 CA GLU A 27 5.488 5.579 -4.786 1.00 0.00 C ATOM 356 C GLU A 27 4.741 4.251 -4.648 1.00 0.00 C ATOM 357 O GLU A 27 5.360 3.200 -4.493 1.00 0.00 O ATOM 358 CB GLU A 27 4.959 6.612 -3.789 1.00 0.00 C ATOM 359 CG GLU A 27 5.873 6.710 -2.565 1.00 0.00 C ATOM 360 CD GLU A 27 5.357 7.760 -1.579 1.00 0.00 C ATOM 361 OE1 GLU A 27 4.963 8.845 -2.059 1.00 0.00 O ATOM 362 OE2 GLU A 27 5.368 7.454 -0.367 1.00 0.00 O ATOM 0 H GLU A 27 4.844 6.928 -6.254 1.00 0.00 H new ATOM 0 HA GLU A 27 6.540 5.407 -4.557 1.00 0.00 H new ATOM 0 HB2 GLU A 27 4.887 7.586 -4.273 1.00 0.00 H new ATOM 0 HB3 GLU A 27 3.952 6.337 -3.475 1.00 0.00 H new ATOM 0 HG2 GLU A 27 5.931 5.740 -2.071 1.00 0.00 H new ATOM 0 HG3 GLU A 27 6.884 6.968 -2.881 1.00 0.00 H new ATOM 369 N GLN A 28 3.421 4.342 -4.708 1.00 0.00 N ATOM 370 CA GLN A 28 2.583 3.161 -4.592 1.00 0.00 C ATOM 371 C GLN A 28 3.011 2.104 -5.612 1.00 0.00 C ATOM 372 O GLN A 28 3.132 0.927 -5.277 1.00 0.00 O ATOM 373 CB GLN A 28 1.105 3.519 -4.760 1.00 0.00 C ATOM 374 CG GLN A 28 0.679 4.584 -3.747 1.00 0.00 C ATOM 375 CD GLN A 28 0.707 4.027 -2.322 1.00 0.00 C ATOM 376 OE1 GLN A 28 -0.310 3.681 -1.744 1.00 0.00 O ATOM 377 NE2 GLN A 28 1.924 3.962 -1.791 1.00 0.00 N ATOM 0 H GLN A 28 2.911 5.216 -4.836 1.00 0.00 H new ATOM 0 HA GLN A 28 2.711 2.745 -3.592 1.00 0.00 H new ATOM 0 HB2 GLN A 28 0.928 3.884 -5.772 1.00 0.00 H new ATOM 0 HB3 GLN A 28 0.494 2.625 -4.632 1.00 0.00 H new ATOM 0 HG2 GLN A 28 1.344 5.445 -3.818 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -0.325 4.936 -3.984 1.00 0.00 H new ATOM 0 HE21 GLN A 28 2.733 4.269 -2.331 1.00 0.00 H new ATOM 0 HE22 GLN A 28 2.049 3.605 -0.844 1.00 0.00 H new ATOM 386 N LYS A 29 3.228 2.562 -6.836 1.00 0.00 N ATOM 387 CA LYS A 29 3.640 1.671 -7.907 1.00 0.00 C ATOM 388 C LYS A 29 4.922 0.944 -7.495 1.00 0.00 C ATOM 389 O LYS A 29 4.933 -0.279 -7.368 1.00 0.00 O ATOM 390 CB LYS A 29 3.764 2.438 -9.224 1.00 0.00 C ATOM 391 CG LYS A 29 3.017 1.719 -10.350 1.00 0.00 C ATOM 392 CD LYS A 29 3.682 1.980 -11.703 1.00 0.00 C ATOM 393 CE LYS A 29 3.479 3.430 -12.144 1.00 0.00 C ATOM 394 NZ LYS A 29 2.763 3.483 -13.438 1.00 0.00 N ATOM 0 H LYS A 29 3.126 3.539 -7.110 1.00 0.00 H new ATOM 0 HA LYS A 29 2.882 0.907 -8.080 1.00 0.00 H new ATOM 0 HB2 LYS A 29 3.364 3.444 -9.102 1.00 0.00 H new ATOM 0 HB3 LYS A 29 4.816 2.543 -9.490 1.00 0.00 H new ATOM 0 HG2 LYS A 29 2.997 0.647 -10.151 1.00 0.00 H new ATOM 0 HG3 LYS A 29 1.981 2.058 -10.378 1.00 0.00 H new ATOM 0 HD2 LYS A 29 4.748 1.763 -11.636 1.00 0.00 H new ATOM 0 HD3 LYS A 29 3.266 1.307 -12.452 1.00 0.00 H new ATOM 0 HE2 LYS A 29 2.913 3.971 -11.386 1.00 0.00 H new ATOM 0 HE3 LYS A 29 4.445 3.927 -12.235 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 2.634 4.475 -13.723 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 3.318 2.984 -14.163 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 1.834 3.027 -13.339 1.00 0.00 H new ATOM 408 N GLU A 30 5.971 1.729 -7.298 1.00 0.00 N ATOM 409 CA GLU A 30 7.256 1.175 -6.903 1.00 0.00 C ATOM 410 C GLU A 30 7.109 0.358 -5.618 1.00 0.00 C ATOM 411 O GLU A 30 7.585 -0.773 -5.540 1.00 0.00 O ATOM 412 CB GLU A 30 8.300 2.280 -6.734 1.00 0.00 C ATOM 413 CG GLU A 30 8.559 2.998 -8.061 1.00 0.00 C ATOM 414 CD GLU A 30 9.204 4.366 -7.827 1.00 0.00 C ATOM 415 OE1 GLU A 30 10.128 4.422 -6.988 1.00 0.00 O ATOM 416 OE2 GLU A 30 8.758 5.324 -8.494 1.00 0.00 O ATOM 0 H GLU A 30 5.958 2.743 -7.404 1.00 0.00 H new ATOM 0 HA GLU A 30 7.603 0.511 -7.695 1.00 0.00 H new ATOM 0 HB2 GLU A 30 7.957 2.998 -5.989 1.00 0.00 H new ATOM 0 HB3 GLU A 30 9.230 1.852 -6.360 1.00 0.00 H new ATOM 0 HG2 GLU A 30 9.209 2.388 -8.688 1.00 0.00 H new ATOM 0 HG3 GLU A 30 7.620 3.122 -8.601 1.00 0.00 H new ATOM 423 N ARG A 31 6.448 0.963 -4.642 1.00 0.00 N ATOM 424 CA ARG A 31 6.233 0.306 -3.364 1.00 0.00 C ATOM 425 C ARG A 31 5.831 -1.155 -3.580 1.00 0.00 C ATOM 426 O ARG A 31 6.417 -2.058 -2.984 1.00 0.00 O ATOM 427 CB ARG A 31 5.143 1.014 -2.557 1.00 0.00 C ATOM 428 CG ARG A 31 5.637 2.365 -2.037 1.00 0.00 C ATOM 429 CD ARG A 31 6.089 2.259 -0.579 1.00 0.00 C ATOM 430 NE ARG A 31 7.550 2.032 -0.517 1.00 0.00 N ATOM 431 CZ ARG A 31 8.468 2.956 -0.832 1.00 0.00 C ATOM 432 NH1 ARG A 31 8.082 4.175 -1.231 1.00 0.00 N ATOM 433 NH2 ARG A 31 9.772 2.661 -0.746 1.00 0.00 N ATOM 0 H ARG A 31 6.054 1.901 -4.711 1.00 0.00 H new ATOM 0 HA ARG A 31 7.168 0.351 -2.806 1.00 0.00 H new ATOM 0 HB2 ARG A 31 4.261 1.161 -3.181 1.00 0.00 H new ATOM 0 HB3 ARG A 31 4.840 0.386 -1.719 1.00 0.00 H new ATOM 0 HG2 ARG A 31 6.465 2.715 -2.654 1.00 0.00 H new ATOM 0 HG3 ARG A 31 4.841 3.105 -2.122 1.00 0.00 H new ATOM 0 HD2 ARG A 31 5.832 3.172 -0.043 1.00 0.00 H new ATOM 0 HD3 ARG A 31 5.564 1.441 -0.086 1.00 0.00 H new ATOM 0 HE ARG A 31 7.879 1.115 -0.216 1.00 0.00 H new ATOM 0 HH11 ARG A 31 7.089 4.400 -1.295 1.00 0.00 H new ATOM 0 HH12 ARG A 31 8.781 4.878 -1.471 1.00 0.00 H new ATOM 0 HH21 ARG A 31 10.066 1.733 -0.441 1.00 0.00 H new ATOM 0 HH22 ARG A 31 10.471 3.364 -0.986 1.00 0.00 H new ATOM 447 N MET A 32 4.835 -1.341 -4.433 1.00 0.00 N ATOM 448 CA MET A 32 4.348 -2.676 -4.735 1.00 0.00 C ATOM 449 C MET A 32 5.408 -3.492 -5.478 1.00 0.00 C ATOM 450 O MET A 32 5.649 -4.652 -5.148 1.00 0.00 O ATOM 451 CB MET A 32 3.085 -2.578 -5.592 1.00 0.00 C ATOM 452 CG MET A 32 1.925 -1.982 -4.793 1.00 0.00 C ATOM 453 SD MET A 32 0.373 -2.375 -5.582 1.00 0.00 S ATOM 454 CE MET A 32 -0.432 -0.784 -5.494 1.00 0.00 C ATOM 0 H MET A 32 4.352 -0.589 -4.925 1.00 0.00 H new ATOM 0 HA MET A 32 4.121 -3.180 -3.796 1.00 0.00 H new ATOM 0 HB2 MET A 32 3.283 -1.961 -6.468 1.00 0.00 H new ATOM 0 HB3 MET A 32 2.810 -3.568 -5.955 1.00 0.00 H new ATOM 0 HG2 MET A 32 1.934 -2.374 -3.776 1.00 0.00 H new ATOM 0 HG3 MET A 32 2.041 -0.901 -4.719 1.00 0.00 H new ATOM 0 HE1 MET A 32 -1.502 -0.908 -5.659 1.00 0.00 H new ATOM 0 HE2 MET A 32 -0.265 -0.346 -4.510 1.00 0.00 H new ATOM 0 HE3 MET A 32 -0.021 -0.125 -6.259 1.00 0.00 H new ATOM 464 N LEU A 33 6.013 -2.852 -6.468 1.00 0.00 N ATOM 465 CA LEU A 33 7.042 -3.503 -7.262 1.00 0.00 C ATOM 466 C LEU A 33 8.146 -4.016 -6.335 1.00 0.00 C ATOM 467 O LEU A 33 8.569 -5.166 -6.444 1.00 0.00 O ATOM 468 CB LEU A 33 7.546 -2.565 -8.360 1.00 0.00 C ATOM 469 CG LEU A 33 7.075 -2.880 -9.781 1.00 0.00 C ATOM 470 CD1 LEU A 33 6.459 -1.645 -10.441 1.00 0.00 C ATOM 471 CD2 LEU A 33 8.213 -3.469 -10.617 1.00 0.00 C ATOM 0 H LEU A 33 5.811 -1.890 -6.739 1.00 0.00 H new ATOM 0 HA LEU A 33 6.632 -4.370 -7.780 1.00 0.00 H new ATOM 0 HB2 LEU A 33 7.236 -1.550 -8.113 1.00 0.00 H new ATOM 0 HB3 LEU A 33 8.636 -2.578 -8.349 1.00 0.00 H new ATOM 0 HG LEU A 33 6.293 -3.637 -9.722 1.00 0.00 H new ATOM 0 HD11 LEU A 33 6.133 -1.896 -11.450 1.00 0.00 H new ATOM 0 HD12 LEU A 33 5.603 -1.309 -9.856 1.00 0.00 H new ATOM 0 HD13 LEU A 33 7.202 -0.849 -10.488 1.00 0.00 H new ATOM 0 HD21 LEU A 33 7.852 -3.684 -11.623 1.00 0.00 H new ATOM 0 HD22 LEU A 33 9.033 -2.753 -10.671 1.00 0.00 H new ATOM 0 HD23 LEU A 33 8.566 -4.390 -10.153 1.00 0.00 H new ATOM 483 N ALA A 34 8.583 -3.137 -5.445 1.00 0.00 N ATOM 484 CA ALA A 34 9.630 -3.486 -4.500 1.00 0.00 C ATOM 485 C ALA A 34 9.148 -4.636 -3.613 1.00 0.00 C ATOM 486 O ALA A 34 9.942 -5.475 -3.192 1.00 0.00 O ATOM 487 CB ALA A 34 10.021 -2.249 -3.690 1.00 0.00 C ATOM 0 H ALA A 34 8.231 -2.184 -5.358 1.00 0.00 H new ATOM 0 HA ALA A 34 10.522 -3.826 -5.025 1.00 0.00 H new ATOM 0 HB1 ALA A 34 10.806 -2.511 -2.981 1.00 0.00 H new ATOM 0 HB2 ALA A 34 10.385 -1.473 -4.364 1.00 0.00 H new ATOM 0 HB3 ALA A 34 9.151 -1.880 -3.147 1.00 0.00 H new ATOM 493 N LEU A 35 7.848 -4.636 -3.355 1.00 0.00 N ATOM 494 CA LEU A 35 7.251 -5.669 -2.525 1.00 0.00 C ATOM 495 C LEU A 35 7.168 -6.973 -3.321 1.00 0.00 C ATOM 496 O LEU A 35 7.650 -8.011 -2.870 1.00 0.00 O ATOM 497 CB LEU A 35 5.903 -5.199 -1.973 1.00 0.00 C ATOM 498 CG LEU A 35 5.029 -6.278 -1.331 1.00 0.00 C ATOM 499 CD1 LEU A 35 5.399 -6.480 0.140 1.00 0.00 C ATOM 500 CD2 LEU A 35 3.543 -5.958 -1.509 1.00 0.00 C ATOM 0 H LEU A 35 7.192 -3.938 -3.706 1.00 0.00 H new ATOM 0 HA LEU A 35 7.876 -5.866 -1.654 1.00 0.00 H new ATOM 0 HB2 LEU A 35 6.087 -4.421 -1.233 1.00 0.00 H new ATOM 0 HB3 LEU A 35 5.340 -4.739 -2.786 1.00 0.00 H new ATOM 0 HG LEU A 35 5.219 -7.221 -1.844 1.00 0.00 H new ATOM 0 HD11 LEU A 35 4.763 -7.252 0.572 1.00 0.00 H new ATOM 0 HD12 LEU A 35 6.443 -6.786 0.214 1.00 0.00 H new ATOM 0 HD13 LEU A 35 5.256 -5.546 0.683 1.00 0.00 H new ATOM 0 HD21 LEU A 35 2.944 -6.741 -1.044 1.00 0.00 H new ATOM 0 HD22 LEU A 35 3.318 -5.001 -1.039 1.00 0.00 H new ATOM 0 HD23 LEU A 35 3.307 -5.904 -2.572 1.00 0.00 H new ATOM 512 N ALA A 36 6.554 -6.877 -4.491 1.00 0.00 N ATOM 513 CA ALA A 36 6.402 -8.036 -5.354 1.00 0.00 C ATOM 514 C ALA A 36 7.780 -8.632 -5.647 1.00 0.00 C ATOM 515 O ALA A 36 7.885 -9.777 -6.083 1.00 0.00 O ATOM 516 CB ALA A 36 5.659 -7.630 -6.628 1.00 0.00 C ATOM 0 H ALA A 36 6.156 -6.014 -4.862 1.00 0.00 H new ATOM 0 HA ALA A 36 5.808 -8.806 -4.862 1.00 0.00 H new ATOM 0 HB1 ALA A 36 5.545 -8.499 -7.275 1.00 0.00 H new ATOM 0 HB2 ALA A 36 4.675 -7.240 -6.367 1.00 0.00 H new ATOM 0 HB3 ALA A 36 6.227 -6.860 -7.151 1.00 0.00 H new ATOM 522 N GLU A 37 8.803 -7.828 -5.396 1.00 0.00 N ATOM 523 CA GLU A 37 10.170 -8.261 -5.628 1.00 0.00 C ATOM 524 C GLU A 37 10.759 -8.864 -4.351 1.00 0.00 C ATOM 525 O GLU A 37 11.854 -9.425 -4.373 1.00 0.00 O ATOM 526 CB GLU A 37 11.033 -7.105 -6.138 1.00 0.00 C ATOM 527 CG GLU A 37 10.876 -6.929 -7.650 1.00 0.00 C ATOM 528 CD GLU A 37 12.141 -6.329 -8.266 1.00 0.00 C ATOM 529 OE1 GLU A 37 13.046 -7.127 -8.595 1.00 0.00 O ATOM 530 OE2 GLU A 37 12.175 -5.086 -8.395 1.00 0.00 O ATOM 0 H GLU A 37 8.712 -6.879 -5.034 1.00 0.00 H new ATOM 0 HA GLU A 37 10.161 -9.031 -6.400 1.00 0.00 H new ATOM 0 HB2 GLU A 37 10.750 -6.183 -5.630 1.00 0.00 H new ATOM 0 HB3 GLU A 37 12.079 -7.294 -5.897 1.00 0.00 H new ATOM 0 HG2 GLU A 37 10.664 -7.893 -8.112 1.00 0.00 H new ATOM 0 HG3 GLU A 37 10.024 -6.282 -7.858 1.00 0.00 H new ATOM 537 N ARG A 38 10.008 -8.727 -3.269 1.00 0.00 N ATOM 538 CA ARG A 38 10.442 -9.251 -1.985 1.00 0.00 C ATOM 539 C ARG A 38 9.612 -10.478 -1.604 1.00 0.00 C ATOM 540 O ARG A 38 10.014 -11.262 -0.746 1.00 0.00 O ATOM 541 CB ARG A 38 10.312 -8.194 -0.886 1.00 0.00 C ATOM 542 CG ARG A 38 8.913 -8.218 -0.266 1.00 0.00 C ATOM 543 CD ARG A 38 8.930 -8.910 1.098 1.00 0.00 C ATOM 544 NE ARG A 38 9.956 -8.292 1.967 1.00 0.00 N ATOM 545 CZ ARG A 38 9.852 -7.066 2.497 1.00 0.00 C ATOM 546 NH1 ARG A 38 8.766 -6.319 2.251 1.00 0.00 N ATOM 547 NH2 ARG A 38 10.833 -6.586 3.274 1.00 0.00 N ATOM 0 H ARG A 38 9.101 -8.260 -3.255 1.00 0.00 H new ATOM 0 HA ARG A 38 11.491 -9.533 -2.080 1.00 0.00 H new ATOM 0 HB2 ARG A 38 11.059 -8.374 -0.113 1.00 0.00 H new ATOM 0 HB3 ARG A 38 10.513 -7.206 -1.301 1.00 0.00 H new ATOM 0 HG2 ARG A 38 8.542 -7.199 -0.156 1.00 0.00 H new ATOM 0 HG3 ARG A 38 8.225 -8.737 -0.933 1.00 0.00 H new ATOM 0 HD2 ARG A 38 7.949 -8.831 1.567 1.00 0.00 H new ATOM 0 HD3 ARG A 38 9.139 -9.972 0.973 1.00 0.00 H new ATOM 0 HE ARG A 38 10.795 -8.833 2.176 1.00 0.00 H new ATOM 0 HH11 ARG A 38 8.019 -6.684 1.660 1.00 0.00 H new ATOM 0 HH12 ARG A 38 8.687 -5.386 2.655 1.00 0.00 H new ATOM 0 HH21 ARG A 38 11.659 -7.154 3.462 1.00 0.00 H new ATOM 0 HH22 ARG A 38 10.754 -5.653 3.677 1.00 0.00 H new ATOM 561 N ILE A 39 8.468 -10.606 -2.261 1.00 0.00 N ATOM 562 CA ILE A 39 7.578 -11.725 -2.001 1.00 0.00 C ATOM 563 C ILE A 39 7.559 -12.649 -3.221 1.00 0.00 C ATOM 564 O ILE A 39 7.412 -13.862 -3.082 1.00 0.00 O ATOM 565 CB ILE A 39 6.193 -11.222 -1.589 1.00 0.00 C ATOM 566 CG1 ILE A 39 5.526 -10.452 -2.730 1.00 0.00 C ATOM 567 CG2 ILE A 39 6.270 -10.393 -0.306 1.00 0.00 C ATOM 568 CD1 ILE A 39 4.078 -10.100 -2.382 1.00 0.00 C ATOM 0 H ILE A 39 8.137 -9.954 -2.972 1.00 0.00 H new ATOM 0 HA ILE A 39 7.941 -12.315 -1.159 1.00 0.00 H new ATOM 0 HB ILE A 39 5.566 -12.088 -1.376 1.00 0.00 H new ATOM 0 HG12 ILE A 39 6.087 -9.540 -2.934 1.00 0.00 H new ATOM 0 HG13 ILE A 39 5.550 -11.051 -3.640 1.00 0.00 H new ATOM 0 HG21 ILE A 39 5.272 -10.048 -0.035 1.00 0.00 H new ATOM 0 HG22 ILE A 39 6.673 -11.006 0.500 1.00 0.00 H new ATOM 0 HG23 ILE A 39 6.920 -9.533 -0.467 1.00 0.00 H new ATOM 0 HD11 ILE A 39 3.627 -9.553 -3.210 1.00 0.00 H new ATOM 0 HD12 ILE A 39 3.514 -11.015 -2.202 1.00 0.00 H new ATOM 0 HD13 ILE A 39 4.060 -9.481 -1.485 1.00 0.00 H new ATOM 580 N GLY A 40 7.709 -12.039 -4.388 1.00 0.00 N ATOM 581 CA GLY A 40 7.711 -12.792 -5.630 1.00 0.00 C ATOM 582 C GLY A 40 6.392 -12.610 -6.384 1.00 0.00 C ATOM 583 O GLY A 40 5.988 -13.479 -7.155 1.00 0.00 O ATOM 0 H GLY A 40 7.830 -11.032 -4.499 1.00 0.00 H new ATOM 0 HA2 GLY A 40 8.540 -12.464 -6.257 1.00 0.00 H new ATOM 0 HA3 GLY A 40 7.870 -13.849 -5.418 1.00 0.00 H new ATOM 587 N TRP A 41 5.758 -11.474 -6.135 1.00 0.00 N ATOM 588 CA TRP A 41 4.493 -11.166 -6.780 1.00 0.00 C ATOM 589 C TRP A 41 3.474 -12.224 -6.352 1.00 0.00 C ATOM 590 O TRP A 41 2.684 -12.695 -7.169 1.00 0.00 O ATOM 591 CB TRP A 41 4.660 -11.076 -8.298 1.00 0.00 C ATOM 592 CG TRP A 41 5.816 -10.179 -8.745 1.00 0.00 C ATOM 593 CD1 TRP A 41 7.129 -10.371 -8.559 1.00 0.00 C ATOM 594 CD2 TRP A 41 5.708 -8.933 -9.466 1.00 0.00 C ATOM 595 NE1 TRP A 41 7.872 -9.344 -9.104 1.00 0.00 N ATOM 596 CE2 TRP A 41 6.981 -8.442 -9.673 1.00 0.00 C ATOM 597 CE3 TRP A 41 4.573 -8.244 -9.928 1.00 0.00 C ATOM 598 CZ2 TRP A 41 7.240 -7.242 -10.347 1.00 0.00 C ATOM 599 CZ3 TRP A 41 4.848 -7.046 -10.598 1.00 0.00 C ATOM 600 CH2 TRP A 41 6.124 -6.538 -10.815 1.00 0.00 C ATOM 0 H TRP A 41 6.097 -10.755 -5.495 1.00 0.00 H new ATOM 0 HA TRP A 41 4.129 -10.187 -6.469 1.00 0.00 H new ATOM 0 HB2 TRP A 41 4.817 -12.079 -8.696 1.00 0.00 H new ATOM 0 HB3 TRP A 41 3.734 -10.701 -8.734 1.00 0.00 H new ATOM 0 HD1 TRP A 41 7.552 -11.222 -8.047 1.00 0.00 H new ATOM 0 HE1 TRP A 41 8.889 -9.262 -9.092 1.00 0.00 H new ATOM 0 HE3 TRP A 41 3.568 -8.610 -9.778 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 8.246 -6.879 -10.498 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 4.010 -6.476 -10.973 1.00 0.00 H new ATOM 0 HH2 TRP A 41 6.254 -5.604 -11.342 1.00 0.00 H new ATOM 611 N ARG A 42 3.525 -12.566 -5.073 1.00 0.00 N ATOM 612 CA ARG A 42 2.616 -13.559 -4.527 1.00 0.00 C ATOM 613 C ARG A 42 2.192 -13.169 -3.110 1.00 0.00 C ATOM 614 O ARG A 42 2.930 -12.484 -2.404 1.00 0.00 O ATOM 615 CB ARG A 42 3.268 -14.943 -4.494 1.00 0.00 C ATOM 616 CG ARG A 42 2.246 -16.038 -4.806 1.00 0.00 C ATOM 617 CD ARG A 42 2.848 -17.428 -4.589 1.00 0.00 C ATOM 618 NE ARG A 42 2.218 -18.402 -5.507 1.00 0.00 N ATOM 619 CZ ARG A 42 2.573 -19.691 -5.594 1.00 0.00 C ATOM 620 NH1 ARG A 42 3.556 -20.169 -4.819 1.00 0.00 N ATOM 621 NH2 ARG A 42 1.945 -20.502 -6.456 1.00 0.00 N ATOM 0 H ARG A 42 4.182 -12.173 -4.399 1.00 0.00 H new ATOM 0 HA ARG A 42 1.740 -13.598 -5.174 1.00 0.00 H new ATOM 0 HB2 ARG A 42 4.082 -14.983 -5.218 1.00 0.00 H new ATOM 0 HB3 ARG A 42 3.707 -15.119 -3.512 1.00 0.00 H new ATOM 0 HG2 ARG A 42 1.369 -15.914 -4.170 1.00 0.00 H new ATOM 0 HG3 ARG A 42 1.908 -15.941 -5.838 1.00 0.00 H new ATOM 0 HD2 ARG A 42 3.924 -17.398 -4.760 1.00 0.00 H new ATOM 0 HD3 ARG A 42 2.698 -17.741 -3.556 1.00 0.00 H new ATOM 0 HE ARG A 42 1.466 -18.071 -6.112 1.00 0.00 H new ATOM 0 HH11 ARG A 42 4.034 -19.552 -4.163 1.00 0.00 H new ATOM 0 HH12 ARG A 42 3.826 -21.150 -4.885 1.00 0.00 H new ATOM 0 HH21 ARG A 42 1.197 -20.138 -7.046 1.00 0.00 H new ATOM 0 HH22 ARG A 42 2.215 -21.483 -6.522 1.00 0.00 H new ATOM 635 N ILE A 43 1.004 -13.621 -2.736 1.00 0.00 N ATOM 636 CA ILE A 43 0.473 -13.328 -1.416 1.00 0.00 C ATOM 637 C ILE A 43 0.291 -14.635 -0.642 1.00 0.00 C ATOM 638 O ILE A 43 -0.334 -15.572 -1.137 1.00 0.00 O ATOM 639 CB ILE A 43 -0.806 -12.495 -1.526 1.00 0.00 C ATOM 640 CG1 ILE A 43 -0.535 -11.163 -2.228 1.00 0.00 C ATOM 641 CG2 ILE A 43 -1.453 -12.299 -0.153 1.00 0.00 C ATOM 642 CD1 ILE A 43 -1.667 -10.812 -3.196 1.00 0.00 C ATOM 0 H ILE A 43 0.394 -14.188 -3.325 1.00 0.00 H new ATOM 0 HA ILE A 43 1.176 -12.717 -0.850 1.00 0.00 H new ATOM 0 HB ILE A 43 -1.519 -13.044 -2.142 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -0.428 -10.372 -1.486 1.00 0.00 H new ATOM 0 HG13 ILE A 43 0.408 -11.220 -2.771 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -2.360 -11.704 -0.260 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -1.705 -13.270 0.273 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -0.756 -11.783 0.507 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -1.449 -9.861 -3.681 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -1.755 -11.593 -3.951 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -2.605 -10.732 -2.646 1.00 0.00 H new ATOM 654 N GLN A 44 0.849 -14.656 0.560 1.00 0.00 N ATOM 655 CA GLN A 44 0.756 -15.833 1.407 1.00 0.00 C ATOM 656 C GLN A 44 0.428 -15.427 2.845 1.00 0.00 C ATOM 657 O GLN A 44 0.243 -14.246 3.134 1.00 0.00 O ATOM 658 CB GLN A 44 2.046 -16.653 1.349 1.00 0.00 C ATOM 659 CG GLN A 44 2.094 -17.513 0.085 1.00 0.00 C ATOM 660 CD GLN A 44 2.219 -18.997 0.435 1.00 0.00 C ATOM 661 OE1 GLN A 44 1.455 -19.544 1.212 1.00 0.00 O ATOM 662 NE2 GLN A 44 3.224 -19.615 -0.180 1.00 0.00 N ATOM 0 H GLN A 44 1.367 -13.877 0.967 1.00 0.00 H new ATOM 0 HA GLN A 44 -0.052 -16.462 1.035 1.00 0.00 H new ATOM 0 HB2 GLN A 44 2.907 -15.985 1.371 1.00 0.00 H new ATOM 0 HB3 GLN A 44 2.115 -17.291 2.230 1.00 0.00 H new ATOM 0 HG2 GLN A 44 1.192 -17.350 -0.505 1.00 0.00 H new ATOM 0 HG3 GLN A 44 2.938 -17.209 -0.534 1.00 0.00 H new ATOM 0 HE21 GLN A 44 3.827 -19.097 -0.819 1.00 0.00 H new ATOM 0 HE22 GLN A 44 3.392 -20.607 -0.012 1.00 0.00 H new ATOM 671 N ARG A 45 0.365 -16.429 3.709 1.00 0.00 N ATOM 672 CA ARG A 45 0.063 -16.191 5.111 1.00 0.00 C ATOM 673 C ARG A 45 1.329 -15.779 5.864 1.00 0.00 C ATOM 674 O ARG A 45 1.291 -15.555 7.073 1.00 0.00 O ATOM 675 CB ARG A 45 -0.529 -17.441 5.766 1.00 0.00 C ATOM 676 CG ARG A 45 -1.053 -17.128 7.169 1.00 0.00 C ATOM 677 CD ARG A 45 -0.267 -17.898 8.232 1.00 0.00 C ATOM 678 NE ARG A 45 -0.643 -17.423 9.583 1.00 0.00 N ATOM 679 CZ ARG A 45 -0.085 -16.367 10.190 1.00 0.00 C ATOM 680 NH1 ARG A 45 0.877 -15.669 9.571 1.00 0.00 N ATOM 681 NH2 ARG A 45 -0.490 -16.008 11.416 1.00 0.00 N ATOM 0 H ARG A 45 0.518 -17.408 3.466 1.00 0.00 H new ATOM 0 HA ARG A 45 -0.671 -15.386 5.161 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -1.339 -17.830 5.150 1.00 0.00 H new ATOM 0 HB3 ARG A 45 0.231 -18.221 5.823 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -0.976 -16.057 7.359 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -2.110 -17.388 7.233 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -0.469 -18.965 8.143 1.00 0.00 H new ATOM 0 HD3 ARG A 45 0.803 -17.762 8.074 1.00 0.00 H new ATOM 0 HE ARG A 45 -1.372 -17.931 10.083 1.00 0.00 H new ATOM 0 HH11 ARG A 45 1.185 -15.942 8.637 1.00 0.00 H new ATOM 0 HH12 ARG A 45 1.302 -14.865 10.033 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -1.223 -16.539 11.887 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -0.065 -15.204 11.878 1.00 0.00 H new ATOM 695 N GLN A 46 2.421 -15.690 5.119 1.00 0.00 N ATOM 696 CA GLN A 46 3.696 -15.309 5.702 1.00 0.00 C ATOM 697 C GLN A 46 3.998 -13.839 5.402 1.00 0.00 C ATOM 698 O GLN A 46 4.652 -13.162 6.193 1.00 0.00 O ATOM 699 CB GLN A 46 4.822 -16.214 5.198 1.00 0.00 C ATOM 700 CG GLN A 46 4.561 -17.674 5.574 1.00 0.00 C ATOM 701 CD GLN A 46 5.815 -18.320 6.168 1.00 0.00 C ATOM 702 OE1 GLN A 46 6.588 -18.975 5.488 1.00 0.00 O ATOM 703 NE2 GLN A 46 5.973 -18.099 7.470 1.00 0.00 N ATOM 0 H GLN A 46 2.449 -15.875 4.116 1.00 0.00 H new ATOM 0 HA GLN A 46 3.631 -15.434 6.783 1.00 0.00 H new ATOM 0 HB2 GLN A 46 4.909 -16.123 4.115 1.00 0.00 H new ATOM 0 HB3 GLN A 46 5.772 -15.890 5.623 1.00 0.00 H new ATOM 0 HG2 GLN A 46 3.744 -17.727 6.294 1.00 0.00 H new ATOM 0 HG3 GLN A 46 4.245 -18.230 4.691 1.00 0.00 H new ATOM 0 HE21 GLN A 46 5.288 -17.541 7.979 1.00 0.00 H new ATOM 0 HE22 GLN A 46 6.780 -18.487 7.959 1.00 0.00 H new ATOM 712 N ASP A 47 3.507 -13.389 4.256 1.00 0.00 N ATOM 713 CA ASP A 47 3.717 -12.013 3.841 1.00 0.00 C ATOM 714 C ASP A 47 2.562 -11.149 4.354 1.00 0.00 C ATOM 715 O ASP A 47 2.637 -9.922 4.318 1.00 0.00 O ATOM 716 CB ASP A 47 3.754 -11.896 2.316 1.00 0.00 C ATOM 717 CG ASP A 47 4.748 -12.828 1.620 1.00 0.00 C ATOM 718 OD1 ASP A 47 5.770 -13.150 2.264 1.00 0.00 O ATOM 719 OD2 ASP A 47 4.464 -13.196 0.460 1.00 0.00 O ATOM 0 H ASP A 47 2.964 -13.954 3.602 1.00 0.00 H new ATOM 0 HA ASP A 47 4.670 -11.679 4.251 1.00 0.00 H new ATOM 0 HB2 ASP A 47 2.756 -12.098 1.927 1.00 0.00 H new ATOM 0 HB3 ASP A 47 3.997 -10.867 2.051 1.00 0.00 H new ATOM 724 N ASP A 48 1.521 -11.824 4.818 1.00 0.00 N ATOM 725 CA ASP A 48 0.353 -11.134 5.337 1.00 0.00 C ATOM 726 C ASP A 48 0.804 -9.946 6.190 1.00 0.00 C ATOM 727 O ASP A 48 0.300 -8.836 6.030 1.00 0.00 O ATOM 728 CB ASP A 48 -0.485 -12.059 6.222 1.00 0.00 C ATOM 729 CG ASP A 48 -1.964 -12.153 5.841 1.00 0.00 C ATOM 730 OD1 ASP A 48 -2.251 -12.857 4.848 1.00 0.00 O ATOM 731 OD2 ASP A 48 -2.775 -11.518 6.550 1.00 0.00 O ATOM 0 H ASP A 48 1.462 -12.842 4.845 1.00 0.00 H new ATOM 0 HA ASP A 48 -0.247 -10.804 4.489 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -0.052 -13.059 6.189 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -0.412 -11.714 7.254 1.00 0.00 H new ATOM 736 N GLU A 49 1.750 -10.220 7.076 1.00 0.00 N ATOM 737 CA GLU A 49 2.274 -9.188 7.954 1.00 0.00 C ATOM 738 C GLU A 49 2.788 -8.004 7.133 1.00 0.00 C ATOM 739 O GLU A 49 2.563 -6.850 7.493 1.00 0.00 O ATOM 740 CB GLU A 49 3.374 -9.745 8.860 1.00 0.00 C ATOM 741 CG GLU A 49 2.905 -9.814 10.314 1.00 0.00 C ATOM 742 CD GLU A 49 4.081 -10.070 11.259 1.00 0.00 C ATOM 743 OE1 GLU A 49 4.843 -11.019 10.972 1.00 0.00 O ATOM 744 OE2 GLU A 49 4.192 -9.312 12.246 1.00 0.00 O ATOM 0 H GLU A 49 2.167 -11.142 7.205 1.00 0.00 H new ATOM 0 HA GLU A 49 1.464 -8.838 8.594 1.00 0.00 H new ATOM 0 HB2 GLU A 49 3.661 -10.740 8.519 1.00 0.00 H new ATOM 0 HB3 GLU A 49 4.261 -9.115 8.790 1.00 0.00 H new ATOM 0 HG2 GLU A 49 2.413 -8.880 10.585 1.00 0.00 H new ATOM 0 HG3 GLU A 49 2.166 -10.608 10.424 1.00 0.00 H new ATOM 751 N VAL A 50 3.469 -8.331 6.044 1.00 0.00 N ATOM 752 CA VAL A 50 4.017 -7.309 5.169 1.00 0.00 C ATOM 753 C VAL A 50 2.887 -6.694 4.340 1.00 0.00 C ATOM 754 O VAL A 50 2.836 -5.479 4.158 1.00 0.00 O ATOM 755 CB VAL A 50 5.135 -7.901 4.309 1.00 0.00 C ATOM 756 CG1 VAL A 50 5.962 -6.796 3.647 1.00 0.00 C ATOM 757 CG2 VAL A 50 6.026 -8.833 5.133 1.00 0.00 C ATOM 0 H VAL A 50 3.654 -9.290 5.748 1.00 0.00 H new ATOM 0 HA VAL A 50 4.466 -6.506 5.754 1.00 0.00 H new ATOM 0 HB VAL A 50 4.672 -8.492 3.519 1.00 0.00 H new ATOM 0 HG11 VAL A 50 6.750 -7.244 3.042 1.00 0.00 H new ATOM 0 HG12 VAL A 50 5.317 -6.190 3.012 1.00 0.00 H new ATOM 0 HG13 VAL A 50 6.409 -6.166 4.416 1.00 0.00 H new ATOM 0 HG21 VAL A 50 6.812 -9.240 4.498 1.00 0.00 H new ATOM 0 HG22 VAL A 50 6.476 -8.275 5.954 1.00 0.00 H new ATOM 0 HG23 VAL A 50 5.425 -9.649 5.535 1.00 0.00 H new ATOM 767 N ILE A 51 2.008 -7.562 3.861 1.00 0.00 N ATOM 768 CA ILE A 51 0.882 -7.120 3.056 1.00 0.00 C ATOM 769 C ILE A 51 0.074 -6.085 3.841 1.00 0.00 C ATOM 770 O ILE A 51 -0.010 -4.925 3.442 1.00 0.00 O ATOM 771 CB ILE A 51 0.055 -8.319 2.587 1.00 0.00 C ATOM 772 CG1 ILE A 51 0.928 -9.329 1.840 1.00 0.00 C ATOM 773 CG2 ILE A 51 -1.142 -7.865 1.749 1.00 0.00 C ATOM 774 CD1 ILE A 51 0.950 -9.031 0.339 1.00 0.00 C ATOM 0 H ILE A 51 2.053 -8.569 4.015 1.00 0.00 H new ATOM 0 HA ILE A 51 1.233 -6.629 2.148 1.00 0.00 H new ATOM 0 HB ILE A 51 -0.342 -8.826 3.467 1.00 0.00 H new ATOM 0 HG12 ILE A 51 1.943 -9.300 2.235 1.00 0.00 H new ATOM 0 HG13 ILE A 51 0.549 -10.337 2.009 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -1.713 -8.736 1.428 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -1.779 -7.214 2.347 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -0.788 -7.321 0.873 1.00 0.00 H new ATOM 0 HD11 ILE A 51 1.578 -9.764 -0.168 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -0.064 -9.085 -0.058 1.00 0.00 H new ATOM 0 HD13 ILE A 51 1.352 -8.032 0.172 1.00 0.00 H new ATOM 786 N GLN A 52 -0.499 -6.542 4.945 1.00 0.00 N ATOM 787 CA GLN A 52 -1.297 -5.671 5.790 1.00 0.00 C ATOM 788 C GLN A 52 -0.487 -4.437 6.195 1.00 0.00 C ATOM 789 O GLN A 52 -0.968 -3.311 6.084 1.00 0.00 O ATOM 790 CB GLN A 52 -1.808 -6.420 7.022 1.00 0.00 C ATOM 791 CG GLN A 52 -3.249 -6.020 7.348 1.00 0.00 C ATOM 792 CD GLN A 52 -3.425 -5.782 8.849 1.00 0.00 C ATOM 793 OE1 GLN A 52 -3.747 -6.678 9.612 1.00 0.00 O ATOM 794 NE2 GLN A 52 -3.198 -4.528 9.229 1.00 0.00 N ATOM 0 H GLN A 52 -0.426 -7.505 5.274 1.00 0.00 H new ATOM 0 HA GLN A 52 -2.166 -5.341 5.220 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -1.756 -7.494 6.846 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -1.165 -6.205 7.876 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -3.512 -5.116 6.799 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -3.931 -6.803 7.018 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -2.931 -3.826 8.539 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -3.290 -4.268 10.211 1.00 0.00 H new ATOM 803 N ARG A 53 0.729 -4.692 6.656 1.00 0.00 N ATOM 804 CA ARG A 53 1.610 -3.616 7.078 1.00 0.00 C ATOM 805 C ARG A 53 1.817 -2.620 5.935 1.00 0.00 C ATOM 806 O ARG A 53 1.673 -1.414 6.124 1.00 0.00 O ATOM 807 CB ARG A 53 2.969 -4.160 7.523 1.00 0.00 C ATOM 808 CG ARG A 53 4.001 -3.036 7.631 1.00 0.00 C ATOM 809 CD ARG A 53 3.590 -2.014 8.693 1.00 0.00 C ATOM 810 NE ARG A 53 3.627 -2.636 10.035 1.00 0.00 N ATOM 811 CZ ARG A 53 3.733 -1.948 11.180 1.00 0.00 C ATOM 812 NH1 ARG A 53 3.812 -0.610 11.152 1.00 0.00 N ATOM 813 NH2 ARG A 53 3.760 -2.596 12.352 1.00 0.00 N ATOM 0 H ARG A 53 1.125 -5.628 6.747 1.00 0.00 H new ATOM 0 HA ARG A 53 1.138 -3.113 7.922 1.00 0.00 H new ATOM 0 HB2 ARG A 53 2.867 -4.659 8.487 1.00 0.00 H new ATOM 0 HB3 ARG A 53 3.315 -4.909 6.811 1.00 0.00 H new ATOM 0 HG2 ARG A 53 4.975 -3.455 7.882 1.00 0.00 H new ATOM 0 HG3 ARG A 53 4.107 -2.540 6.666 1.00 0.00 H new ATOM 0 HD2 ARG A 53 4.261 -1.156 8.662 1.00 0.00 H new ATOM 0 HD3 ARG A 53 2.587 -1.642 8.483 1.00 0.00 H new ATOM 0 HE ARG A 53 3.568 -3.653 10.092 1.00 0.00 H new ATOM 0 HH11 ARG A 53 3.791 -0.116 10.260 1.00 0.00 H new ATOM 0 HH12 ARG A 53 3.893 -0.086 12.023 1.00 0.00 H new ATOM 0 HH21 ARG A 53 3.700 -3.614 12.373 1.00 0.00 H new ATOM 0 HH22 ARG A 53 3.841 -2.071 13.223 1.00 0.00 H new ATOM 827 N PHE A 54 2.151 -3.163 4.773 1.00 0.00 N ATOM 828 CA PHE A 54 2.379 -2.337 3.599 1.00 0.00 C ATOM 829 C PHE A 54 1.178 -1.430 3.325 1.00 0.00 C ATOM 830 O PHE A 54 1.338 -0.311 2.841 1.00 0.00 O ATOM 831 CB PHE A 54 2.567 -3.286 2.414 1.00 0.00 C ATOM 832 CG PHE A 54 2.507 -2.597 1.050 1.00 0.00 C ATOM 833 CD1 PHE A 54 1.309 -2.208 0.537 1.00 0.00 C ATOM 834 CD2 PHE A 54 3.652 -2.373 0.349 1.00 0.00 C ATOM 835 CE1 PHE A 54 1.253 -1.568 -0.730 1.00 0.00 C ATOM 836 CE2 PHE A 54 3.596 -1.734 -0.917 1.00 0.00 C ATOM 837 CZ PHE A 54 2.398 -1.345 -1.430 1.00 0.00 C ATOM 0 H PHE A 54 2.269 -4.164 4.620 1.00 0.00 H new ATOM 0 HA PHE A 54 3.251 -1.702 3.755 1.00 0.00 H new ATOM 0 HB2 PHE A 54 3.529 -3.789 2.514 1.00 0.00 H new ATOM 0 HB3 PHE A 54 1.798 -4.058 2.454 1.00 0.00 H new ATOM 0 HD1 PHE A 54 0.400 -2.386 1.093 1.00 0.00 H new ATOM 0 HD2 PHE A 54 4.603 -2.682 0.756 1.00 0.00 H new ATOM 0 HE1 PHE A 54 0.302 -1.259 -1.137 1.00 0.00 H new ATOM 0 HE2 PHE A 54 4.505 -1.557 -1.473 1.00 0.00 H new ATOM 0 HZ PHE A 54 2.356 -0.859 -2.393 1.00 0.00 H new ATOM 847 N CYS A 55 0.001 -1.947 3.647 1.00 0.00 N ATOM 848 CA CYS A 55 -1.227 -1.198 3.441 1.00 0.00 C ATOM 849 C CYS A 55 -1.294 -0.087 4.492 1.00 0.00 C ATOM 850 O CYS A 55 -2.056 0.866 4.344 1.00 0.00 O ATOM 851 CB CYS A 55 -2.458 -2.105 3.491 1.00 0.00 C ATOM 852 SG CYS A 55 -3.983 -1.096 3.409 1.00 0.00 S ATOM 0 H CYS A 55 -0.128 -2.876 4.049 1.00 0.00 H new ATOM 0 HA CYS A 55 -1.223 -0.755 2.445 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -2.434 -2.811 2.661 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -2.450 -2.693 4.409 1.00 0.00 H new ATOM 0 HG CYS A 55 -4.338 -0.946 2.167 1.00 0.00 H new ATOM 858 N GLN A 56 -0.485 -0.248 5.529 1.00 0.00 N ATOM 859 CA GLN A 56 -0.442 0.729 6.603 1.00 0.00 C ATOM 860 C GLN A 56 0.459 1.904 6.217 1.00 0.00 C ATOM 861 O GLN A 56 0.186 3.046 6.581 1.00 0.00 O ATOM 862 CB GLN A 56 0.024 0.086 7.911 1.00 0.00 C ATOM 863 CG GLN A 56 1.353 0.688 8.374 1.00 0.00 C ATOM 864 CD GLN A 56 1.154 2.106 8.912 1.00 0.00 C ATOM 865 OE1 GLN A 56 0.077 2.493 9.335 1.00 0.00 O ATOM 866 NE2 GLN A 56 2.251 2.859 8.872 1.00 0.00 N ATOM 0 H GLN A 56 0.146 -1.041 5.648 1.00 0.00 H new ATOM 0 HA GLN A 56 -1.451 1.109 6.763 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -0.733 0.231 8.682 1.00 0.00 H new ATOM 0 HB3 GLN A 56 0.136 -0.989 7.772 1.00 0.00 H new ATOM 0 HG2 GLN A 56 1.791 0.059 9.149 1.00 0.00 H new ATOM 0 HG3 GLN A 56 2.058 0.706 7.543 1.00 0.00 H new ATOM 0 HE21 GLN A 56 3.121 2.473 8.505 1.00 0.00 H new ATOM 0 HE22 GLN A 56 2.221 3.822 9.208 1.00 0.00 H new ATOM 875 N GLU A 57 1.515 1.582 5.485 1.00 0.00 N ATOM 876 CA GLU A 57 2.458 2.596 5.045 1.00 0.00 C ATOM 877 C GLU A 57 1.951 3.277 3.772 1.00 0.00 C ATOM 878 O GLU A 57 2.126 4.481 3.596 1.00 0.00 O ATOM 879 CB GLU A 57 3.849 1.995 4.829 1.00 0.00 C ATOM 880 CG GLU A 57 3.925 1.258 3.491 1.00 0.00 C ATOM 881 CD GLU A 57 5.360 0.821 3.187 1.00 0.00 C ATOM 882 OE1 GLU A 57 5.735 -0.269 3.672 1.00 0.00 O ATOM 883 OE2 GLU A 57 6.048 1.585 2.478 1.00 0.00 O ATOM 0 H GLU A 57 1.739 0.633 5.185 1.00 0.00 H new ATOM 0 HA GLU A 57 2.542 3.350 5.828 1.00 0.00 H new ATOM 0 HB2 GLU A 57 4.599 2.786 4.856 1.00 0.00 H new ATOM 0 HB3 GLU A 57 4.082 1.307 5.641 1.00 0.00 H new ATOM 0 HG2 GLU A 57 3.272 0.385 3.515 1.00 0.00 H new ATOM 0 HG3 GLU A 57 3.562 1.906 2.693 1.00 0.00 H new ATOM 890 N THR A 58 1.333 2.475 2.917 1.00 0.00 N ATOM 891 CA THR A 58 0.800 2.985 1.666 1.00 0.00 C ATOM 892 C THR A 58 -0.676 3.357 1.827 1.00 0.00 C ATOM 893 O THR A 58 -1.024 4.536 1.843 1.00 0.00 O ATOM 894 CB THR A 58 1.046 1.932 0.583 1.00 0.00 C ATOM 895 OG1 THR A 58 0.296 0.803 1.020 1.00 0.00 O ATOM 896 CG2 THR A 58 2.493 1.436 0.568 1.00 0.00 C ATOM 0 H THR A 58 1.190 1.476 3.066 1.00 0.00 H new ATOM 0 HA THR A 58 1.304 3.904 1.367 1.00 0.00 H new ATOM 0 HB THR A 58 0.795 2.349 -0.393 1.00 0.00 H new ATOM 0 HG1 THR A 58 0.908 0.073 1.251 1.00 0.00 H new ATOM 0 HG21 THR A 58 2.614 0.691 -0.218 1.00 0.00 H new ATOM 0 HG22 THR A 58 3.163 2.275 0.379 1.00 0.00 H new ATOM 0 HG23 THR A 58 2.734 0.989 1.532 1.00 0.00 H new ATOM 904 N GLY A 59 -1.503 2.328 1.942 1.00 0.00 N ATOM 905 CA GLY A 59 -2.933 2.532 2.102 1.00 0.00 C ATOM 906 C GLY A 59 -3.718 1.774 1.029 1.00 0.00 C ATOM 907 O GLY A 59 -4.944 1.857 0.977 1.00 0.00 O ATOM 0 H GLY A 59 -1.210 1.351 1.928 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -3.244 2.195 3.091 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -3.161 3.596 2.041 1.00 0.00 H new ATOM 911 N VAL A 60 -2.978 1.053 0.198 1.00 0.00 N ATOM 912 CA VAL A 60 -3.589 0.282 -0.871 1.00 0.00 C ATOM 913 C VAL A 60 -4.274 -0.951 -0.277 1.00 0.00 C ATOM 914 O VAL A 60 -3.768 -1.551 0.670 1.00 0.00 O ATOM 915 CB VAL A 60 -2.541 -0.068 -1.929 1.00 0.00 C ATOM 916 CG1 VAL A 60 -3.125 -1.002 -2.991 1.00 0.00 C ATOM 917 CG2 VAL A 60 -1.964 1.196 -2.568 1.00 0.00 C ATOM 0 H VAL A 60 -1.961 0.987 0.244 1.00 0.00 H new ATOM 0 HA VAL A 60 -4.356 0.869 -1.375 1.00 0.00 H new ATOM 0 HB VAL A 60 -1.726 -0.594 -1.432 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -2.359 -1.235 -3.731 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -3.465 -1.923 -2.518 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -3.967 -0.514 -3.482 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -1.222 0.919 -3.316 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -2.765 1.761 -3.044 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -1.493 1.810 -1.800 1.00 0.00 H new ATOM 927 N PRO A 61 -5.445 -1.301 -0.873 1.00 0.00 N ATOM 928 CA PRO A 61 -6.205 -2.451 -0.413 1.00 0.00 C ATOM 929 C PRO A 61 -5.546 -3.757 -0.861 1.00 0.00 C ATOM 930 O PRO A 61 -5.048 -3.853 -1.982 1.00 0.00 O ATOM 931 CB PRO A 61 -7.598 -2.259 -0.991 1.00 0.00 C ATOM 932 CG PRO A 61 -7.444 -1.262 -2.127 1.00 0.00 C ATOM 933 CD PRO A 61 -6.075 -0.613 -1.997 1.00 0.00 C ATOM 0 HA PRO A 61 -6.246 -2.521 0.674 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -8.004 -3.204 -1.353 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -8.287 -1.885 -0.234 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -7.539 -1.763 -3.090 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -8.230 -0.508 -2.082 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -5.492 -0.731 -2.911 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -6.160 0.457 -1.809 1.00 0.00 H new ATOM 941 N ARG A 62 -5.565 -4.731 0.038 1.00 0.00 N ATOM 942 CA ARG A 62 -4.976 -6.027 -0.251 1.00 0.00 C ATOM 943 C ARG A 62 -5.452 -6.535 -1.613 1.00 0.00 C ATOM 944 O ARG A 62 -4.639 -6.835 -2.486 1.00 0.00 O ATOM 945 CB ARG A 62 -5.345 -7.051 0.825 1.00 0.00 C ATOM 946 CG ARG A 62 -5.009 -8.472 0.367 1.00 0.00 C ATOM 947 CD ARG A 62 -4.399 -9.286 1.510 1.00 0.00 C ATOM 948 NE ARG A 62 -5.443 -10.116 2.153 1.00 0.00 N ATOM 949 CZ ARG A 62 -5.328 -10.654 3.375 1.00 0.00 C ATOM 950 NH1 ARG A 62 -4.216 -10.452 4.094 1.00 0.00 N ATOM 951 NH2 ARG A 62 -6.326 -11.393 3.878 1.00 0.00 N ATOM 0 H ARG A 62 -5.979 -4.648 0.966 1.00 0.00 H new ATOM 0 HA ARG A 62 -3.893 -5.904 -0.264 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -4.808 -6.825 1.746 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -6.409 -6.980 1.051 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -5.912 -8.965 0.006 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -4.311 -8.433 -0.469 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -3.600 -9.922 1.129 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -3.950 -8.617 2.245 1.00 0.00 H new ATOM 0 HE ARG A 62 -6.303 -10.289 1.633 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -3.457 -9.889 3.711 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -4.129 -10.862 5.024 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -7.173 -11.546 3.331 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -6.239 -11.803 4.808 1.00 0.00 H new ATOM 965 N GLN A 63 -6.767 -6.616 -1.753 1.00 0.00 N ATOM 966 CA GLN A 63 -7.360 -7.082 -2.994 1.00 0.00 C ATOM 967 C GLN A 63 -6.692 -6.402 -4.191 1.00 0.00 C ATOM 968 O GLN A 63 -6.527 -7.014 -5.245 1.00 0.00 O ATOM 969 CB GLN A 63 -8.872 -6.844 -3.003 1.00 0.00 C ATOM 970 CG GLN A 63 -9.601 -7.978 -3.726 1.00 0.00 C ATOM 971 CD GLN A 63 -11.114 -7.747 -3.723 1.00 0.00 C ATOM 972 OE1 GLN A 63 -11.756 -7.683 -2.688 1.00 0.00 O ATOM 973 NE2 GLN A 63 -11.644 -7.626 -4.936 1.00 0.00 N ATOM 0 H GLN A 63 -7.438 -6.367 -1.027 1.00 0.00 H new ATOM 0 HA GLN A 63 -7.193 -8.156 -3.072 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -9.238 -6.766 -1.979 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -9.092 -5.895 -3.493 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -9.242 -8.049 -4.753 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -9.374 -8.928 -3.242 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -11.048 -7.690 -5.762 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -12.646 -7.469 -5.041 1.00 0.00 H new ATOM 982 N VAL A 64 -6.324 -5.145 -3.987 1.00 0.00 N ATOM 983 CA VAL A 64 -5.677 -4.375 -5.036 1.00 0.00 C ATOM 984 C VAL A 64 -4.217 -4.817 -5.160 1.00 0.00 C ATOM 985 O VAL A 64 -3.736 -5.080 -6.261 1.00 0.00 O ATOM 986 CB VAL A 64 -5.827 -2.879 -4.755 1.00 0.00 C ATOM 987 CG1 VAL A 64 -4.665 -2.088 -5.359 1.00 0.00 C ATOM 988 CG2 VAL A 64 -7.171 -2.357 -5.269 1.00 0.00 C ATOM 0 H VAL A 64 -6.462 -4.641 -3.111 1.00 0.00 H new ATOM 0 HA VAL A 64 -6.156 -4.561 -5.997 1.00 0.00 H new ATOM 0 HB VAL A 64 -5.803 -2.737 -3.675 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -4.796 -1.027 -5.145 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -3.726 -2.432 -4.925 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -4.643 -2.240 -6.438 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -7.253 -1.291 -5.057 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -7.237 -2.519 -6.345 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -7.982 -2.889 -4.772 1.00 0.00 H new ATOM 998 N LEU A 65 -3.553 -4.884 -4.015 1.00 0.00 N ATOM 999 CA LEU A 65 -2.158 -5.289 -3.982 1.00 0.00 C ATOM 1000 C LEU A 65 -2.018 -6.671 -4.622 1.00 0.00 C ATOM 1001 O LEU A 65 -0.934 -7.045 -5.067 1.00 0.00 O ATOM 1002 CB LEU A 65 -1.613 -5.213 -2.554 1.00 0.00 C ATOM 1003 CG LEU A 65 -0.098 -5.367 -2.406 1.00 0.00 C ATOM 1004 CD1 LEU A 65 0.345 -6.790 -2.755 1.00 0.00 C ATOM 1005 CD2 LEU A 65 0.644 -4.316 -3.235 1.00 0.00 C ATOM 0 H LEU A 65 -3.955 -4.665 -3.104 1.00 0.00 H new ATOM 0 HA LEU A 65 -1.547 -4.603 -4.569 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -1.904 -4.254 -2.125 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -2.097 -5.988 -1.960 1.00 0.00 H new ATOM 0 HG LEU A 65 0.162 -5.195 -1.362 1.00 0.00 H new ATOM 0 HD11 LEU A 65 1.426 -6.873 -2.642 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -0.145 -7.498 -2.087 1.00 0.00 H new ATOM 0 HD13 LEU A 65 0.070 -7.014 -3.786 1.00 0.00 H new ATOM 0 HD21 LEU A 65 1.719 -4.448 -3.112 1.00 0.00 H new ATOM 0 HD22 LEU A 65 0.382 -4.431 -4.287 1.00 0.00 H new ATOM 0 HD23 LEU A 65 0.360 -3.319 -2.898 1.00 0.00 H new ATOM 1017 N LYS A 66 -3.129 -7.392 -4.647 1.00 0.00 N ATOM 1018 CA LYS A 66 -3.143 -8.725 -5.225 1.00 0.00 C ATOM 1019 C LYS A 66 -3.271 -8.616 -6.746 1.00 0.00 C ATOM 1020 O LYS A 66 -2.325 -8.909 -7.475 1.00 0.00 O ATOM 1021 CB LYS A 66 -4.234 -9.579 -4.576 1.00 0.00 C ATOM 1022 CG LYS A 66 -4.658 -10.722 -5.501 1.00 0.00 C ATOM 1023 CD LYS A 66 -5.484 -11.763 -4.742 1.00 0.00 C ATOM 1024 CE LYS A 66 -6.982 -11.502 -4.910 1.00 0.00 C ATOM 1025 NZ LYS A 66 -7.445 -11.970 -6.236 1.00 0.00 N ATOM 0 H LYS A 66 -4.026 -7.078 -4.276 1.00 0.00 H new ATOM 0 HA LYS A 66 -2.204 -9.239 -5.020 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -3.870 -9.986 -3.633 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -5.097 -8.956 -4.342 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -5.241 -10.325 -6.332 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -3.774 -11.195 -5.929 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -5.242 -12.761 -5.107 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -5.223 -11.738 -3.684 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -7.537 -12.014 -4.123 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -7.186 -10.437 -4.802 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -8.286 -11.428 -6.521 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -6.689 -11.831 -6.937 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -7.686 -12.980 -6.183 1.00 0.00 H new ATOM 1039 N VAL A 67 -4.449 -8.192 -7.180 1.00 0.00 N ATOM 1040 CA VAL A 67 -4.713 -8.040 -8.600 1.00 0.00 C ATOM 1041 C VAL A 67 -3.603 -7.199 -9.234 1.00 0.00 C ATOM 1042 O VAL A 67 -3.082 -7.548 -10.292 1.00 0.00 O ATOM 1043 CB VAL A 67 -6.108 -7.447 -8.813 1.00 0.00 C ATOM 1044 CG1 VAL A 67 -7.193 -8.418 -8.345 1.00 0.00 C ATOM 1045 CG2 VAL A 67 -6.242 -6.095 -8.110 1.00 0.00 C ATOM 0 H VAL A 67 -5.231 -7.949 -6.572 1.00 0.00 H new ATOM 0 HA VAL A 67 -4.708 -9.011 -9.095 1.00 0.00 H new ATOM 0 HB VAL A 67 -6.243 -7.283 -9.882 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -8.175 -7.973 -8.507 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -7.118 -9.347 -8.910 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -7.061 -8.627 -7.284 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -7.242 -5.696 -8.277 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -6.077 -6.223 -7.040 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -5.503 -5.402 -8.511 1.00 0.00 H new ATOM 1055 N TRP A 68 -3.274 -6.107 -8.560 1.00 0.00 N ATOM 1056 CA TRP A 68 -2.236 -5.213 -9.044 1.00 0.00 C ATOM 1057 C TRP A 68 -1.111 -6.069 -9.630 1.00 0.00 C ATOM 1058 O TRP A 68 -0.823 -5.989 -10.823 1.00 0.00 O ATOM 1059 CB TRP A 68 -1.757 -4.277 -7.933 1.00 0.00 C ATOM 1060 CG TRP A 68 -0.663 -3.300 -8.370 1.00 0.00 C ATOM 1061 CD1 TRP A 68 -0.809 -2.051 -8.833 1.00 0.00 C ATOM 1062 CD2 TRP A 68 0.759 -3.545 -8.366 1.00 0.00 C ATOM 1063 NE1 TRP A 68 0.410 -1.475 -9.127 1.00 0.00 N ATOM 1064 CE2 TRP A 68 1.394 -2.412 -8.834 1.00 0.00 C ATOM 1065 CE3 TRP A 68 1.486 -4.685 -7.980 1.00 0.00 C ATOM 1066 CZ2 TRP A 68 2.785 -2.309 -8.959 1.00 0.00 C ATOM 1067 CZ3 TRP A 68 2.874 -4.566 -8.112 1.00 0.00 C ATOM 1068 CH2 TRP A 68 3.529 -3.433 -8.581 1.00 0.00 C ATOM 0 H TRP A 68 -3.708 -5.821 -7.682 1.00 0.00 H new ATOM 0 HA TRP A 68 -2.623 -4.561 -9.827 1.00 0.00 H new ATOM 0 HB2 TRP A 68 -2.609 -3.709 -7.558 1.00 0.00 H new ATOM 0 HB3 TRP A 68 -1.384 -4.877 -7.103 1.00 0.00 H new ATOM 0 HD1 TRP A 68 -1.761 -1.557 -8.960 1.00 0.00 H new ATOM 0 HE1 TRP A 68 0.561 -0.535 -9.492 1.00 0.00 H new ATOM 0 HE3 TRP A 68 1.011 -5.582 -7.611 1.00 0.00 H new ATOM 0 HZ2 TRP A 68 3.258 -1.411 -9.327 1.00 0.00 H new ATOM 0 HZ3 TRP A 68 3.479 -5.415 -7.829 1.00 0.00 H new ATOM 0 HH2 TRP A 68 4.606 -3.420 -8.653 1.00 0.00 H new ATOM 1079 N LEU A 69 -0.506 -6.869 -8.764 1.00 0.00 N ATOM 1080 CA LEU A 69 0.580 -7.739 -9.182 1.00 0.00 C ATOM 1081 C LEU A 69 0.220 -8.391 -10.518 1.00 0.00 C ATOM 1082 O LEU A 69 1.038 -8.425 -11.436 1.00 0.00 O ATOM 1083 CB LEU A 69 0.917 -8.743 -8.078 1.00 0.00 C ATOM 1084 CG LEU A 69 1.246 -8.148 -6.707 1.00 0.00 C ATOM 1085 CD1 LEU A 69 0.865 -9.114 -5.584 1.00 0.00 C ATOM 1086 CD2 LEU A 69 2.716 -7.730 -6.630 1.00 0.00 C ATOM 0 H LEU A 69 -0.747 -6.933 -7.775 1.00 0.00 H new ATOM 0 HA LEU A 69 1.490 -7.162 -9.344 1.00 0.00 H new ATOM 0 HB2 LEU A 69 0.073 -9.424 -7.964 1.00 0.00 H new ATOM 0 HB3 LEU A 69 1.767 -9.341 -8.406 1.00 0.00 H new ATOM 0 HG LEU A 69 0.647 -7.247 -6.573 1.00 0.00 H new ATOM 0 HD11 LEU A 69 1.109 -8.667 -4.621 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -0.205 -9.319 -5.628 1.00 0.00 H new ATOM 0 HD13 LEU A 69 1.418 -10.046 -5.702 1.00 0.00 H new ATOM 0 HD21 LEU A 69 2.924 -7.310 -5.646 1.00 0.00 H new ATOM 0 HD22 LEU A 69 3.351 -8.601 -6.795 1.00 0.00 H new ATOM 0 HD23 LEU A 69 2.922 -6.981 -7.395 1.00 0.00 H new ATOM 1098 N HIS A 70 -1.004 -8.894 -10.584 1.00 0.00 N ATOM 1099 CA HIS A 70 -1.482 -9.543 -11.793 1.00 0.00 C ATOM 1100 C HIS A 70 -1.632 -8.506 -12.908 1.00 0.00 C ATOM 1101 O HIS A 70 -1.344 -8.792 -14.069 1.00 0.00 O ATOM 1102 CB HIS A 70 -2.776 -10.313 -11.521 1.00 0.00 C ATOM 1103 CG HIS A 70 -3.045 -11.428 -12.503 1.00 0.00 C ATOM 1104 ND1 HIS A 70 -2.542 -12.707 -12.342 1.00 0.00 N ATOM 1105 CD2 HIS A 70 -3.771 -11.442 -13.658 1.00 0.00 C ATOM 1106 CE1 HIS A 70 -2.952 -13.449 -13.360 1.00 0.00 C ATOM 1107 NE2 HIS A 70 -3.713 -12.663 -14.175 1.00 0.00 N ATOM 0 H HIS A 70 -1.679 -8.865 -9.820 1.00 0.00 H new ATOM 0 HA HIS A 70 -0.752 -10.281 -12.127 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -2.733 -10.731 -10.515 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -3.613 -9.615 -11.541 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -4.303 -10.602 -14.080 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -2.724 -14.493 -13.517 1.00 0.00 H new ATOM 0 HE2 HIS A 70 -4.163 -12.964 -15.039 1.00 0.00 H new ATOM 1115 N ASN A 71 -2.083 -7.324 -12.516 1.00 0.00 N ATOM 1116 CA ASN A 71 -2.275 -6.243 -13.468 1.00 0.00 C ATOM 1117 C ASN A 71 -0.911 -5.734 -13.936 1.00 0.00 C ATOM 1118 O ASN A 71 -0.814 -5.059 -14.960 1.00 0.00 O ATOM 1119 CB ASN A 71 -3.023 -5.072 -12.827 1.00 0.00 C ATOM 1120 CG ASN A 71 -4.454 -4.979 -13.360 1.00 0.00 C ATOM 1121 OD1 ASN A 71 -4.698 -4.629 -14.503 1.00 0.00 O ATOM 1122 ND2 ASN A 71 -5.385 -5.310 -12.469 1.00 0.00 N ATOM 0 H ASN A 71 -2.321 -7.091 -11.552 1.00 0.00 H new ATOM 0 HA ASN A 71 -2.858 -6.629 -14.304 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -3.042 -5.196 -11.744 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -2.493 -4.142 -13.032 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -6.371 -5.279 -12.727 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -5.112 -5.594 -11.528 1.00 0.00 H new ATOM 1129 N ASN A 72 0.110 -6.076 -13.164 1.00 0.00 N ATOM 1130 CA ASN A 72 1.465 -5.661 -13.487 1.00 0.00 C ATOM 1131 C ASN A 72 2.185 -6.803 -14.207 1.00 0.00 C ATOM 1132 O ASN A 72 2.486 -6.701 -15.395 1.00 0.00 O ATOM 1133 CB ASN A 72 2.255 -5.327 -12.220 1.00 0.00 C ATOM 1134 CG ASN A 72 1.826 -3.976 -11.646 1.00 0.00 C ATOM 1135 OD1 ASN A 72 2.581 -3.017 -11.614 1.00 0.00 O ATOM 1136 ND2 ASN A 72 0.575 -3.952 -11.196 1.00 0.00 N ATOM 0 H ASN A 72 0.026 -6.636 -12.316 1.00 0.00 H new ATOM 0 HA ASN A 72 1.405 -4.775 -14.119 1.00 0.00 H new ATOM 0 HB2 ASN A 72 2.101 -6.108 -11.475 1.00 0.00 H new ATOM 0 HB3 ASN A 72 3.321 -5.308 -12.446 1.00 0.00 H new ATOM 0 HD21 ASN A 72 0.194 -3.095 -10.794 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -0.004 -4.790 -11.253 1.00 0.00 H new ATOM 1143 N LYS A 73 2.441 -7.865 -13.456 1.00 0.00 N ATOM 1144 CA LYS A 73 3.120 -9.025 -14.008 1.00 0.00 C ATOM 1145 C LYS A 73 2.256 -9.641 -15.109 1.00 0.00 C ATOM 1146 O LYS A 73 1.317 -10.384 -14.824 1.00 0.00 O ATOM 1147 CB LYS A 73 3.491 -10.007 -12.895 1.00 0.00 C ATOM 1148 CG LYS A 73 2.268 -10.803 -12.436 1.00 0.00 C ATOM 1149 CD LYS A 73 2.355 -11.130 -10.944 1.00 0.00 C ATOM 1150 CE LYS A 73 1.438 -12.301 -10.585 1.00 0.00 C ATOM 1151 NZ LYS A 73 2.195 -13.348 -9.862 1.00 0.00 N ATOM 0 H LYS A 73 2.190 -7.946 -12.471 1.00 0.00 H new ATOM 0 HA LYS A 73 4.062 -8.731 -14.470 1.00 0.00 H new ATOM 0 HB2 LYS A 73 4.262 -10.691 -13.250 1.00 0.00 H new ATOM 0 HB3 LYS A 73 3.913 -9.462 -12.050 1.00 0.00 H new ATOM 0 HG2 LYS A 73 1.362 -10.231 -12.634 1.00 0.00 H new ATOM 0 HG3 LYS A 73 2.194 -11.726 -13.011 1.00 0.00 H new ATOM 0 HD2 LYS A 73 3.384 -11.375 -10.681 1.00 0.00 H new ATOM 0 HD3 LYS A 73 2.077 -10.253 -10.359 1.00 0.00 H new ATOM 0 HE2 LYS A 73 0.612 -11.948 -9.967 1.00 0.00 H new ATOM 0 HE3 LYS A 73 1.001 -12.720 -11.491 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 1.708 -14.261 -9.964 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 3.153 -13.420 -10.259 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 2.256 -13.099 -8.854 1.00 0.00 H new ATOM 1165 N HIS A 74 2.602 -9.310 -16.344 1.00 0.00 N ATOM 1166 CA HIS A 74 1.869 -9.821 -17.490 1.00 0.00 C ATOM 1167 C HIS A 74 2.747 -9.735 -18.740 1.00 0.00 C ATOM 1168 O HIS A 74 3.773 -9.057 -18.738 1.00 0.00 O ATOM 1169 CB HIS A 74 0.535 -9.091 -17.651 1.00 0.00 C ATOM 1170 CG HIS A 74 -0.656 -10.010 -17.782 1.00 0.00 C ATOM 1171 ND1 HIS A 74 -1.414 -10.096 -18.936 1.00 0.00 N ATOM 1172 CD2 HIS A 74 -1.211 -10.882 -16.891 1.00 0.00 C ATOM 1173 CE1 HIS A 74 -2.379 -10.982 -18.739 1.00 0.00 C ATOM 1174 NE2 HIS A 74 -2.252 -11.468 -17.470 1.00 0.00 N ATOM 0 H HIS A 74 3.381 -8.694 -16.577 1.00 0.00 H new ATOM 0 HA HIS A 74 1.625 -10.871 -17.331 1.00 0.00 H new ATOM 0 HB2 HIS A 74 0.384 -8.438 -16.792 1.00 0.00 H new ATOM 0 HB3 HIS A 74 0.586 -8.452 -18.532 1.00 0.00 H new ATOM 0 HD2 HIS A 74 -0.862 -11.064 -15.885 1.00 0.00 H new ATOM 0 HE1 HIS A 74 -3.133 -11.269 -19.456 1.00 0.00 H new ATOM 0 HE2 HIS A 74 -2.857 -12.166 -17.038 1.00 0.00 H new ATOM 1182 N SER A 75 2.311 -10.433 -19.779 1.00 0.00 N ATOM 1183 CA SER A 75 3.044 -10.444 -21.034 1.00 0.00 C ATOM 1184 C SER A 75 2.408 -9.461 -22.020 1.00 0.00 C ATOM 1185 O SER A 75 3.112 -8.710 -22.693 1.00 0.00 O ATOM 1186 CB SER A 75 3.082 -11.850 -21.637 1.00 0.00 C ATOM 1187 OG SER A 75 1.784 -12.430 -21.721 1.00 0.00 O ATOM 0 H SER A 75 1.460 -10.995 -19.777 1.00 0.00 H new ATOM 0 HA SER A 75 4.070 -10.136 -20.834 1.00 0.00 H new ATOM 0 HB2 SER A 75 3.524 -11.806 -22.632 1.00 0.00 H new ATOM 0 HB3 SER A 75 3.725 -12.487 -21.030 1.00 0.00 H new ATOM 0 HG SER A 75 1.851 -13.326 -22.112 1.00 0.00 H new ATOM 1193 N GLY A 76 1.085 -9.498 -22.073 1.00 0.00 N ATOM 1194 CA GLY A 76 0.347 -8.620 -22.966 1.00 0.00 C ATOM 1195 C GLY A 76 -0.566 -7.680 -22.177 1.00 0.00 C ATOM 1196 O GLY A 76 -1.679 -8.053 -21.811 1.00 0.00 O ATOM 0 H GLY A 76 0.505 -10.122 -21.512 1.00 0.00 H new ATOM 0 HA2 GLY A 76 1.045 -8.036 -23.567 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -0.248 -9.216 -23.658 1.00 0.00 H new ATOM 1200 N PRO A 77 -0.049 -6.446 -21.934 1.00 0.00 N ATOM 1201 CA PRO A 77 -0.806 -5.449 -21.196 1.00 0.00 C ATOM 1202 C PRO A 77 -1.915 -4.851 -22.063 1.00 0.00 C ATOM 1203 O PRO A 77 -1.989 -5.125 -23.260 1.00 0.00 O ATOM 1204 CB PRO A 77 0.223 -4.421 -20.755 1.00 0.00 C ATOM 1205 CG PRO A 77 1.434 -4.632 -21.650 1.00 0.00 C ATOM 1206 CD PRO A 77 1.266 -5.969 -22.353 1.00 0.00 C ATOM 0 HA PRO A 77 -1.325 -5.868 -20.334 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -0.167 -3.409 -20.859 1.00 0.00 H new ATOM 0 HB3 PRO A 77 0.485 -4.556 -19.706 1.00 0.00 H new ATOM 0 HG2 PRO A 77 1.516 -3.825 -22.378 1.00 0.00 H new ATOM 0 HG3 PRO A 77 2.351 -4.623 -21.060 1.00 0.00 H new ATOM 0 HD2 PRO A 77 1.320 -5.856 -23.436 1.00 0.00 H new ATOM 0 HD3 PRO A 77 2.051 -6.669 -22.066 1.00 0.00 H new ATOM 1214 N SER A 78 -2.750 -4.043 -21.425 1.00 0.00 N ATOM 1215 CA SER A 78 -3.852 -3.404 -22.123 1.00 0.00 C ATOM 1216 C SER A 78 -3.316 -2.534 -23.262 1.00 0.00 C ATOM 1217 O SER A 78 -2.518 -1.627 -23.032 1.00 0.00 O ATOM 1218 CB SER A 78 -4.697 -2.562 -21.165 1.00 0.00 C ATOM 1219 OG SER A 78 -3.945 -1.500 -20.583 1.00 0.00 O ATOM 0 H SER A 78 -2.685 -3.817 -20.433 1.00 0.00 H new ATOM 0 HA SER A 78 -4.491 -4.183 -22.539 1.00 0.00 H new ATOM 0 HB2 SER A 78 -5.551 -2.150 -21.702 1.00 0.00 H new ATOM 0 HB3 SER A 78 -5.094 -3.200 -20.376 1.00 0.00 H new ATOM 0 HG SER A 78 -3.286 -1.173 -21.230 1.00 0.00 H new ATOM 1225 N SER A 79 -3.776 -2.841 -24.466 1.00 0.00 N ATOM 1226 CA SER A 79 -3.353 -2.099 -25.641 1.00 0.00 C ATOM 1227 C SER A 79 -4.512 -1.253 -26.171 1.00 0.00 C ATOM 1228 O SER A 79 -5.674 -1.534 -25.882 1.00 0.00 O ATOM 1229 CB SER A 79 -2.841 -3.041 -26.733 1.00 0.00 C ATOM 1230 OG SER A 79 -1.680 -3.757 -26.319 1.00 0.00 O ATOM 0 H SER A 79 -4.438 -3.594 -24.653 1.00 0.00 H new ATOM 0 HA SER A 79 -2.533 -1.441 -25.353 1.00 0.00 H new ATOM 0 HB2 SER A 79 -3.627 -3.748 -27.000 1.00 0.00 H new ATOM 0 HB3 SER A 79 -2.612 -2.466 -27.630 1.00 0.00 H new ATOM 0 HG SER A 79 -1.385 -4.348 -27.043 1.00 0.00 H new ATOM 1236 N GLY A 80 -4.155 -0.232 -26.937 1.00 0.00 N ATOM 1237 CA GLY A 80 -5.151 0.657 -27.510 1.00 0.00 C ATOM 1238 C GLY A 80 -4.772 1.059 -28.937 1.00 0.00 C ATOM 1239 O GLY A 80 -4.051 2.034 -29.140 1.00 0.00 O ATOM 0 H GLY A 80 -3.190 -0.001 -27.174 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -6.124 0.165 -27.513 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -5.247 1.549 -26.891 1.00 0.00 H new TER 1243 GLY A 80