USER MOD reduce.3.24.130724 H: found=0, std=0, add=926, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 927 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 4 ASN : amide:sc= -0.804 K(o=-0.8,f=-2.5!) USER MOD Single : A 8 ASN : amide:sc= -0.0154 X(o=-0.015,f=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 24 SER OG : rot -69:sc= 0.994 USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 HIS : no HE2:sc= 0.189 K(o=0.19,f=-1.4) USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 THR OG1 : rot 55:sc= 0.64 USER MOD Single : A 38 ASN : amide:sc= -0.219 X(o=-0.22,f=-0.039) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0.0342 USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 170:sc= -0.0732 (180deg=-0.242) USER MOD Single : A 46 SER OG : rot 180:sc= 0.108 USER MOD Single : A 49 CYS SG : rot 54:sc= 0.517 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 SER OG : rot -139:sc= 1.26 USER MOD Single : A 64 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 ASN : amide:sc= -7.47! C(o=-7.5!,f=-10!) USER MOD Single : A 68 ASN : amide:sc= 0 X(o=0,f=0.25) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 GLN : amide:sc= 0 K(o=0,f=0.57) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 83 ASN : amide:sc= 0 X(o=0,f=-0.009) USER MOD Single : A 84 HIS : no HD1:sc= -0.866 K(o=-0.87,f=-3.6!) USER MOD Single : A 91 GLN : amide:sc= -0.0403 X(o=-0.04,f=0) USER MOD Single : A 95 THR OG1 : rot 180:sc= -1.04 USER MOD Single : A 98 THR OG1 : rot 180:sc= 0.00337 USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 SER OG : rot 65:sc= 0.0368 USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 106 SER OG : rot 180:sc= 0.0152 USER MOD Single : A 108 THR OG1 : rot 180:sc= 0.116 USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 LYS NZ :NH3+ -175:sc= -0.674 (180deg=-0.816) USER MOD ----------------------------------------------------------------- ATOM 40 N ASN A 4 -5.240 -11.864 -10.281 1.00 0.00 N ATOM 41 CA ASN A 4 -5.187 -10.666 -9.445 1.00 0.00 C ATOM 42 C ASN A 4 -4.609 -10.988 -8.065 1.00 0.00 C ATOM 43 O ASN A 4 -5.226 -11.708 -7.281 1.00 0.00 O ATOM 44 CB ASN A 4 -6.583 -10.054 -9.297 1.00 0.00 C ATOM 45 CG ASN A 4 -6.537 -8.550 -9.112 1.00 0.00 C ATOM 46 OD1 ASN A 4 -6.800 -8.039 -8.024 1.00 0.00 O ATOM 47 ND2 ASN A 4 -6.203 -7.833 -10.178 1.00 0.00 N ATOM 0 HA ASN A 4 -4.533 -9.944 -9.934 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -7.176 -10.291 -10.180 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -7.087 -10.507 -8.443 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -6.156 -6.816 -10.114 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -5.993 -8.299 -11.061 1.00 0.00 H new ATOM 54 N PRO A 5 -3.411 -10.453 -7.747 1.00 0.00 N ATOM 55 CA PRO A 5 -2.760 -10.692 -6.453 1.00 0.00 C ATOM 56 C PRO A 5 -3.661 -10.347 -5.272 1.00 0.00 C ATOM 57 O PRO A 5 -3.549 -10.942 -4.200 1.00 0.00 O ATOM 58 CB PRO A 5 -1.545 -9.762 -6.485 1.00 0.00 C ATOM 59 CG PRO A 5 -1.264 -9.554 -7.933 1.00 0.00 C ATOM 60 CD PRO A 5 -2.600 -9.582 -8.619 1.00 0.00 C ATOM 0 HA PRO A 5 -2.506 -11.743 -6.318 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -1.756 -8.818 -5.983 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -0.691 -10.209 -5.976 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -0.759 -8.603 -8.100 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -0.610 -10.335 -8.320 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -3.030 -8.584 -8.703 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -2.525 -9.983 -9.630 1.00 0.00 H new ATOM 68 N ALA A 6 -4.555 -9.383 -5.475 1.00 0.00 N ATOM 69 CA ALA A 6 -5.474 -8.961 -4.424 1.00 0.00 C ATOM 70 C ALA A 6 -6.462 -10.071 -4.082 1.00 0.00 C ATOM 71 O ALA A 6 -6.822 -10.258 -2.919 1.00 0.00 O ATOM 72 CB ALA A 6 -6.214 -7.700 -4.847 1.00 0.00 C ATOM 0 H ALA A 6 -4.662 -8.881 -6.356 1.00 0.00 H new ATOM 0 HA ALA A 6 -4.891 -8.743 -3.529 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -6.897 -7.395 -4.054 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -5.496 -6.902 -5.034 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -6.780 -7.898 -5.757 1.00 0.00 H new ATOM 78 N GLU A 7 -6.896 -10.804 -5.102 1.00 0.00 N ATOM 79 CA GLU A 7 -7.842 -11.898 -4.909 1.00 0.00 C ATOM 80 C GLU A 7 -7.167 -13.084 -4.229 1.00 0.00 C ATOM 81 O GLU A 7 -7.693 -13.642 -3.265 1.00 0.00 O ATOM 82 CB GLU A 7 -8.432 -12.332 -6.252 1.00 0.00 C ATOM 83 CG GLU A 7 -9.667 -11.545 -6.657 1.00 0.00 C ATOM 84 CD GLU A 7 -10.296 -12.062 -7.935 1.00 0.00 C ATOM 85 OE1 GLU A 7 -9.802 -11.708 -9.025 1.00 0.00 O ATOM 86 OE2 GLU A 7 -11.284 -12.821 -7.846 1.00 0.00 O ATOM 0 H GLU A 7 -6.608 -10.661 -6.070 1.00 0.00 H new ATOM 0 HA GLU A 7 -8.647 -11.542 -4.265 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -7.672 -12.223 -7.026 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -8.686 -13.391 -6.202 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -10.401 -11.589 -5.852 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -9.398 -10.497 -6.787 1.00 0.00 H new ATOM 93 N ASN A 8 -5.998 -13.465 -4.736 1.00 0.00 N ATOM 94 CA ASN A 8 -5.248 -14.583 -4.175 1.00 0.00 C ATOM 95 C ASN A 8 -4.847 -14.292 -2.733 1.00 0.00 C ATOM 96 O ASN A 8 -4.701 -15.205 -1.921 1.00 0.00 O ATOM 97 CB ASN A 8 -4.003 -14.864 -5.017 1.00 0.00 C ATOM 98 CG ASN A 8 -3.659 -16.341 -5.067 1.00 0.00 C ATOM 99 OD1 ASN A 8 -4.346 -17.129 -5.717 1.00 0.00 O ATOM 100 ND2 ASN A 8 -2.591 -16.723 -4.377 1.00 0.00 N ATOM 0 H ASN A 8 -5.550 -13.015 -5.535 1.00 0.00 H new ATOM 0 HA ASN A 8 -5.889 -15.464 -4.187 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -4.163 -14.497 -6.031 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -3.158 -14.311 -4.607 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -2.311 -17.704 -4.372 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -2.050 -16.036 -3.852 1.00 0.00 H new ATOM 107 N PHE A 9 -4.669 -13.011 -2.426 1.00 0.00 N ATOM 108 CA PHE A 9 -4.288 -12.589 -1.084 1.00 0.00 C ATOM 109 C PHE A 9 -5.460 -12.741 -0.120 1.00 0.00 C ATOM 110 O PHE A 9 -5.332 -13.358 0.938 1.00 0.00 O ATOM 111 CB PHE A 9 -3.809 -11.134 -1.110 1.00 0.00 C ATOM 112 CG PHE A 9 -3.610 -10.532 0.253 1.00 0.00 C ATOM 113 CD1 PHE A 9 -2.483 -10.832 1.000 1.00 0.00 C ATOM 114 CD2 PHE A 9 -4.550 -9.663 0.783 1.00 0.00 C ATOM 115 CE1 PHE A 9 -2.297 -10.276 2.252 1.00 0.00 C ATOM 116 CE2 PHE A 9 -4.369 -9.104 2.033 1.00 0.00 C ATOM 117 CZ PHE A 9 -3.242 -9.411 2.769 1.00 0.00 C ATOM 0 H PHE A 9 -4.783 -12.246 -3.091 1.00 0.00 H new ATOM 0 HA PHE A 9 -3.474 -13.225 -0.737 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -2.869 -11.081 -1.660 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -4.534 -10.533 -1.659 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -1.741 -11.508 0.600 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -5.434 -9.420 0.212 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -1.414 -10.518 2.825 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -5.109 -8.427 2.434 1.00 0.00 H new ATOM 0 HZ PHE A 9 -3.099 -8.976 3.747 1.00 0.00 H new ATOM 127 N ARG A 10 -6.601 -12.168 -0.495 1.00 0.00 N ATOM 128 CA ARG A 10 -7.803 -12.238 0.329 1.00 0.00 C ATOM 129 C ARG A 10 -8.194 -13.687 0.604 1.00 0.00 C ATOM 130 O ARG A 10 -8.694 -14.010 1.682 1.00 0.00 O ATOM 131 CB ARG A 10 -8.960 -11.510 -0.358 1.00 0.00 C ATOM 132 CG ARG A 10 -8.944 -10.004 -0.142 1.00 0.00 C ATOM 133 CD ARG A 10 -10.037 -9.317 -0.945 1.00 0.00 C ATOM 134 NE ARG A 10 -10.080 -7.879 -0.689 1.00 0.00 N ATOM 135 CZ ARG A 10 -9.987 -6.957 -1.642 1.00 0.00 C ATOM 136 NH1 ARG A 10 -9.844 -7.320 -2.910 1.00 0.00 N ATOM 137 NH2 ARG A 10 -10.036 -5.670 -1.328 1.00 0.00 N ATOM 0 H ARG A 10 -6.718 -11.650 -1.366 1.00 0.00 H new ATOM 0 HA ARG A 10 -7.588 -11.752 1.281 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -8.924 -11.716 -1.428 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -9.903 -11.912 0.013 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -9.077 -9.785 0.918 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -7.972 -9.604 -0.431 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -9.871 -9.492 -2.008 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -11.002 -9.759 -0.697 1.00 0.00 H new ATOM 0 HE ARG A 10 -10.187 -7.565 0.275 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -9.805 -8.309 -3.156 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -9.773 -6.610 -3.639 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -10.145 -5.386 -0.354 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -9.965 -4.963 -2.060 1.00 0.00 H new ATOM 151 N VAL A 11 -7.965 -14.556 -0.376 1.00 0.00 N ATOM 152 CA VAL A 11 -8.293 -15.969 -0.232 1.00 0.00 C ATOM 153 C VAL A 11 -7.244 -16.691 0.608 1.00 0.00 C ATOM 154 O VAL A 11 -7.580 -17.466 1.504 1.00 0.00 O ATOM 155 CB VAL A 11 -8.409 -16.665 -1.602 1.00 0.00 C ATOM 156 CG1 VAL A 11 -8.727 -18.142 -1.431 1.00 0.00 C ATOM 157 CG2 VAL A 11 -9.465 -15.982 -2.458 1.00 0.00 C ATOM 0 H VAL A 11 -7.555 -14.307 -1.276 1.00 0.00 H new ATOM 0 HA VAL A 11 -9.258 -16.020 0.272 1.00 0.00 H new ATOM 0 HB VAL A 11 -7.449 -16.583 -2.111 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -8.804 -18.613 -2.411 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -7.932 -18.621 -0.859 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -9.673 -18.251 -0.900 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -9.534 -16.486 -3.422 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -10.430 -16.031 -1.953 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -9.189 -14.939 -2.613 1.00 0.00 H new ATOM 167 N LEU A 12 -5.975 -16.434 0.308 1.00 0.00 N ATOM 168 CA LEU A 12 -4.870 -17.056 1.033 1.00 0.00 C ATOM 169 C LEU A 12 -5.027 -16.874 2.540 1.00 0.00 C ATOM 170 O LEU A 12 -4.617 -17.733 3.321 1.00 0.00 O ATOM 171 CB LEU A 12 -3.534 -16.467 0.575 1.00 0.00 C ATOM 172 CG LEU A 12 -2.758 -17.324 -0.425 1.00 0.00 C ATOM 173 CD1 LEU A 12 -1.786 -16.468 -1.221 1.00 0.00 C ATOM 174 CD2 LEU A 12 -2.021 -18.444 0.293 1.00 0.00 C ATOM 0 H LEU A 12 -5.685 -15.798 -0.434 1.00 0.00 H new ATOM 0 HA LEU A 12 -4.886 -18.123 0.813 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -3.719 -15.491 0.127 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -2.908 -16.302 1.452 1.00 0.00 H new ATOM 0 HG LEU A 12 -3.469 -17.771 -1.120 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -1.243 -17.096 -1.928 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -2.338 -15.702 -1.766 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -1.080 -15.992 -0.541 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -1.474 -19.044 -0.434 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -1.321 -18.017 1.011 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -2.739 -19.075 0.817 1.00 0.00 H new ATOM 186 N VAL A 13 -5.620 -15.754 2.941 1.00 0.00 N ATOM 187 CA VAL A 13 -5.824 -15.473 4.359 1.00 0.00 C ATOM 188 C VAL A 13 -7.157 -16.034 4.844 1.00 0.00 C ATOM 189 O VAL A 13 -7.251 -16.569 5.948 1.00 0.00 O ATOM 190 CB VAL A 13 -5.772 -13.961 4.657 1.00 0.00 C ATOM 191 CG1 VAL A 13 -4.360 -13.428 4.477 1.00 0.00 C ATOM 192 CG2 VAL A 13 -6.752 -13.201 3.776 1.00 0.00 C ATOM 0 H VAL A 13 -5.966 -15.031 2.310 1.00 0.00 H new ATOM 0 HA VAL A 13 -5.010 -15.962 4.894 1.00 0.00 H new ATOM 0 HB VAL A 13 -6.065 -13.809 5.696 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -4.344 -12.360 4.692 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -3.686 -13.945 5.160 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -4.036 -13.596 3.450 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -6.697 -12.137 4.005 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -6.498 -13.361 2.728 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -7.764 -13.560 3.963 1.00 0.00 H new ATOM 202 N LYS A 14 -8.186 -15.904 4.012 1.00 0.00 N ATOM 203 CA LYS A 14 -9.514 -16.400 4.354 1.00 0.00 C ATOM 204 C LYS A 14 -9.634 -17.895 4.067 1.00 0.00 C ATOM 205 O LYS A 14 -10.520 -18.326 3.327 1.00 0.00 O ATOM 206 CB LYS A 14 -10.584 -15.631 3.574 1.00 0.00 C ATOM 207 CG LYS A 14 -11.940 -15.617 4.258 1.00 0.00 C ATOM 208 CD LYS A 14 -13.030 -15.116 3.322 1.00 0.00 C ATOM 209 CE LYS A 14 -14.408 -15.260 3.946 1.00 0.00 C ATOM 210 NZ LYS A 14 -15.449 -14.533 3.168 1.00 0.00 N ATOM 0 H LYS A 14 -8.125 -15.459 3.096 1.00 0.00 H new ATOM 0 HA LYS A 14 -9.667 -16.243 5.422 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -10.249 -14.604 3.429 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -10.690 -16.075 2.584 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -12.186 -16.622 4.601 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -11.897 -14.981 5.142 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -12.848 -14.070 3.077 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -12.993 -15.674 2.386 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -14.671 -16.316 4.006 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -14.386 -14.879 4.967 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -16.374 -14.656 3.627 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -15.212 -13.521 3.132 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -15.489 -14.913 2.201 1.00 0.00 H new ATOM 224 N GLN A 15 -8.738 -18.682 4.657 1.00 0.00 N ATOM 225 CA GLN A 15 -8.750 -20.128 4.467 1.00 0.00 C ATOM 226 C GLN A 15 -9.032 -20.844 5.784 1.00 0.00 C ATOM 227 O GLN A 15 -9.878 -21.737 5.846 1.00 0.00 O ATOM 228 CB GLN A 15 -7.413 -20.600 3.894 1.00 0.00 C ATOM 229 CG GLN A 15 -7.316 -20.464 2.384 1.00 0.00 C ATOM 230 CD GLN A 15 -7.707 -21.736 1.658 1.00 0.00 C ATOM 231 OE1 GLN A 15 -8.805 -21.840 1.111 1.00 0.00 O ATOM 232 NE2 GLN A 15 -6.807 -22.713 1.649 1.00 0.00 N ATOM 0 H GLN A 15 -7.996 -18.343 5.269 1.00 0.00 H new ATOM 0 HA GLN A 15 -9.545 -20.371 3.762 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -6.608 -20.028 4.354 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -7.259 -21.644 4.167 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -7.960 -19.649 2.054 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -6.296 -20.194 2.112 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -5.909 -22.584 2.115 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -7.014 -23.593 1.176 1.00 0.00 H new ATOM 241 N LYS A 16 -8.322 -20.438 6.834 1.00 0.00 N ATOM 242 CA LYS A 16 -8.490 -21.031 8.158 1.00 0.00 C ATOM 243 C LYS A 16 -7.544 -20.381 9.164 1.00 0.00 C ATOM 244 O LYS A 16 -7.970 -19.926 10.225 1.00 0.00 O ATOM 245 CB LYS A 16 -8.242 -22.543 8.112 1.00 0.00 C ATOM 246 CG LYS A 16 -6.933 -22.931 7.443 1.00 0.00 C ATOM 247 CD LYS A 16 -6.545 -24.363 7.771 1.00 0.00 C ATOM 248 CE LYS A 16 -5.664 -24.965 6.688 1.00 0.00 C ATOM 249 NZ LYS A 16 -5.393 -26.408 6.931 1.00 0.00 N ATOM 0 H LYS A 16 -7.622 -19.697 6.793 1.00 0.00 H new ATOM 0 HA LYS A 16 -9.517 -20.854 8.476 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -8.249 -22.934 9.130 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -9.066 -23.021 7.582 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -7.027 -22.816 6.363 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -6.142 -22.255 7.768 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -6.019 -24.389 8.725 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -7.445 -24.967 7.887 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -6.147 -24.845 5.718 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -4.721 -24.421 6.644 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -4.789 -26.781 6.171 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -4.909 -26.521 7.844 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -6.291 -26.932 6.948 1.00 0.00 H new ATOM 263 N LYS A 17 -6.260 -20.338 8.816 1.00 0.00 N ATOM 264 CA LYS A 17 -5.247 -19.748 9.682 1.00 0.00 C ATOM 265 C LYS A 17 -3.881 -19.752 9.002 1.00 0.00 C ATOM 266 O LYS A 17 -2.937 -20.379 9.485 1.00 0.00 O ATOM 267 CB LYS A 17 -5.171 -20.507 11.009 1.00 0.00 C ATOM 268 CG LYS A 17 -4.491 -19.725 12.120 1.00 0.00 C ATOM 269 CD LYS A 17 -5.126 -20.012 13.471 1.00 0.00 C ATOM 270 CE LYS A 17 -4.512 -19.158 14.568 1.00 0.00 C ATOM 271 NZ LYS A 17 -4.645 -19.794 15.908 1.00 0.00 N ATOM 0 H LYS A 17 -5.897 -20.707 7.937 1.00 0.00 H new ATOM 0 HA LYS A 17 -5.533 -18.715 9.880 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -6.180 -20.769 11.326 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -4.633 -21.442 10.853 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -3.432 -19.982 12.152 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -4.554 -18.658 11.906 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -6.198 -19.822 13.418 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -5.001 -21.067 13.716 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -3.458 -18.990 14.349 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -4.995 -18.181 14.580 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -4.214 -19.180 16.628 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -5.652 -19.932 16.128 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -4.162 -20.715 15.905 1.00 0.00 H new ATOM 285 N ALA A 18 -3.781 -19.051 7.877 1.00 0.00 N ATOM 286 CA ALA A 18 -2.530 -18.975 7.131 1.00 0.00 C ATOM 287 C ALA A 18 -1.629 -17.876 7.683 1.00 0.00 C ATOM 288 O ALA A 18 -0.509 -17.683 7.207 1.00 0.00 O ATOM 289 CB ALA A 18 -2.810 -18.739 5.655 1.00 0.00 C ATOM 0 H ALA A 18 -4.552 -18.527 7.462 1.00 0.00 H new ATOM 0 HA ALA A 18 -2.010 -19.926 7.243 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -1.868 -18.684 5.110 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -3.409 -19.561 5.262 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -3.354 -17.803 5.533 1.00 0.00 H new ATOM 295 N SER A 19 -2.131 -17.158 8.686 1.00 0.00 N ATOM 296 CA SER A 19 -1.382 -16.073 9.316 1.00 0.00 C ATOM 297 C SER A 19 -1.216 -14.896 8.359 1.00 0.00 C ATOM 298 O SER A 19 -0.757 -15.059 7.229 1.00 0.00 O ATOM 299 CB SER A 19 -0.010 -16.565 9.788 1.00 0.00 C ATOM 300 OG SER A 19 -0.106 -17.846 10.387 1.00 0.00 O ATOM 0 H SER A 19 -3.059 -17.310 9.082 1.00 0.00 H new ATOM 0 HA SER A 19 -1.950 -15.735 10.183 1.00 0.00 H new ATOM 0 HB2 SER A 19 0.676 -16.606 8.942 1.00 0.00 H new ATOM 0 HB3 SER A 19 0.408 -15.856 10.503 1.00 0.00 H new ATOM 0 HG SER A 19 0.783 -18.138 10.678 1.00 0.00 H new ATOM 306 N PHE A 20 -1.595 -13.710 8.825 1.00 0.00 N ATOM 307 CA PHE A 20 -1.496 -12.499 8.017 1.00 0.00 C ATOM 308 C PHE A 20 -0.044 -12.188 7.665 1.00 0.00 C ATOM 309 O PHE A 20 0.238 -11.638 6.603 1.00 0.00 O ATOM 310 CB PHE A 20 -2.116 -11.316 8.763 1.00 0.00 C ATOM 311 CG PHE A 20 -2.717 -10.278 7.858 1.00 0.00 C ATOM 312 CD1 PHE A 20 -3.891 -10.535 7.168 1.00 0.00 C ATOM 313 CD2 PHE A 20 -2.110 -9.042 7.702 1.00 0.00 C ATOM 314 CE1 PHE A 20 -4.447 -9.579 6.337 1.00 0.00 C ATOM 315 CE2 PHE A 20 -2.661 -8.083 6.873 1.00 0.00 C ATOM 316 CZ PHE A 20 -3.831 -8.352 6.191 1.00 0.00 C ATOM 0 H PHE A 20 -1.974 -13.562 9.760 1.00 0.00 H new ATOM 0 HA PHE A 20 -2.043 -12.667 7.089 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -2.887 -11.687 9.438 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -1.351 -10.847 9.381 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -4.377 -11.493 7.280 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -1.196 -8.826 8.234 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -5.361 -9.792 5.803 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -2.177 -7.124 6.759 1.00 0.00 H new ATOM 0 HZ PHE A 20 -4.264 -7.603 5.544 1.00 0.00 H new ATOM 326 N GLU A 21 0.868 -12.531 8.570 1.00 0.00 N ATOM 327 CA GLU A 21 2.295 -12.288 8.365 1.00 0.00 C ATOM 328 C GLU A 21 2.773 -12.769 6.994 1.00 0.00 C ATOM 329 O GLU A 21 3.193 -11.967 6.160 1.00 0.00 O ATOM 330 CB GLU A 21 3.107 -12.975 9.463 1.00 0.00 C ATOM 331 CG GLU A 21 4.267 -12.137 9.977 1.00 0.00 C ATOM 332 CD GLU A 21 4.801 -12.635 11.306 1.00 0.00 C ATOM 333 OE1 GLU A 21 5.715 -13.486 11.297 1.00 0.00 O ATOM 334 OE2 GLU A 21 4.306 -12.173 12.355 1.00 0.00 O ATOM 0 H GLU A 21 0.644 -12.981 9.458 1.00 0.00 H new ATOM 0 HA GLU A 21 2.448 -11.210 8.409 1.00 0.00 H new ATOM 0 HB2 GLU A 21 2.446 -13.215 10.296 1.00 0.00 H new ATOM 0 HB3 GLU A 21 3.494 -13.920 9.080 1.00 0.00 H new ATOM 0 HG2 GLU A 21 5.071 -12.145 9.241 1.00 0.00 H new ATOM 0 HG3 GLU A 21 3.943 -11.102 10.084 1.00 0.00 H new ATOM 341 N GLU A 22 2.716 -14.080 6.770 1.00 0.00 N ATOM 342 CA GLU A 22 3.159 -14.666 5.505 1.00 0.00 C ATOM 343 C GLU A 22 2.504 -13.990 4.303 1.00 0.00 C ATOM 344 O GLU A 22 3.188 -13.580 3.363 1.00 0.00 O ATOM 345 CB GLU A 22 2.853 -16.165 5.486 1.00 0.00 C ATOM 346 CG GLU A 22 3.982 -17.024 6.030 1.00 0.00 C ATOM 347 CD GLU A 22 3.814 -18.491 5.690 1.00 0.00 C ATOM 348 OE1 GLU A 22 2.844 -19.107 6.180 1.00 0.00 O ATOM 349 OE2 GLU A 22 4.652 -19.025 4.933 1.00 0.00 O ATOM 0 H GLU A 22 2.367 -14.758 7.448 1.00 0.00 H new ATOM 0 HA GLU A 22 4.235 -14.509 5.430 1.00 0.00 H new ATOM 0 HB2 GLU A 22 1.952 -16.351 6.071 1.00 0.00 H new ATOM 0 HB3 GLU A 22 2.637 -16.470 4.462 1.00 0.00 H new ATOM 0 HG2 GLU A 22 4.931 -16.668 5.628 1.00 0.00 H new ATOM 0 HG3 GLU A 22 4.032 -16.909 7.113 1.00 0.00 H new ATOM 356 N ALA A 23 1.179 -13.880 4.335 1.00 0.00 N ATOM 357 CA ALA A 23 0.434 -13.263 3.244 1.00 0.00 C ATOM 358 C ALA A 23 0.866 -11.818 3.017 1.00 0.00 C ATOM 359 O ALA A 23 0.968 -11.361 1.877 1.00 0.00 O ATOM 360 CB ALA A 23 -1.059 -13.330 3.523 1.00 0.00 C ATOM 0 H ALA A 23 0.599 -14.211 5.106 1.00 0.00 H new ATOM 0 HA ALA A 23 0.652 -13.821 2.334 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -1.604 -12.866 2.701 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -1.365 -14.372 3.619 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -1.280 -12.800 4.450 1.00 0.00 H new ATOM 366 N SER A 24 1.127 -11.105 4.107 1.00 0.00 N ATOM 367 CA SER A 24 1.542 -9.709 4.028 1.00 0.00 C ATOM 368 C SER A 24 2.906 -9.593 3.365 1.00 0.00 C ATOM 369 O SER A 24 3.077 -8.842 2.405 1.00 0.00 O ATOM 370 CB SER A 24 1.587 -9.089 5.426 1.00 0.00 C ATOM 371 OG SER A 24 0.324 -8.561 5.791 1.00 0.00 O ATOM 0 H SER A 24 1.059 -11.471 5.057 1.00 0.00 H new ATOM 0 HA SER A 24 0.813 -9.169 3.424 1.00 0.00 H new ATOM 0 HB2 SER A 24 1.893 -9.843 6.152 1.00 0.00 H new ATOM 0 HB3 SER A 24 2.337 -8.298 5.452 1.00 0.00 H new ATOM 0 HG SER A 24 0.125 -7.776 5.238 1.00 0.00 H new ATOM 377 N ASN A 25 3.875 -10.339 3.886 1.00 0.00 N ATOM 378 CA ASN A 25 5.225 -10.328 3.340 1.00 0.00 C ATOM 379 C ASN A 25 5.199 -10.619 1.846 1.00 0.00 C ATOM 380 O ASN A 25 5.808 -9.900 1.053 1.00 0.00 O ATOM 381 CB ASN A 25 6.098 -11.360 4.059 1.00 0.00 C ATOM 382 CG ASN A 25 6.991 -10.730 5.110 1.00 0.00 C ATOM 383 OD1 ASN A 25 8.045 -10.177 4.795 1.00 0.00 O ATOM 384 ND2 ASN A 25 6.573 -10.814 6.368 1.00 0.00 N ATOM 0 H ASN A 25 3.749 -10.959 4.686 1.00 0.00 H new ATOM 0 HA ASN A 25 5.650 -9.336 3.496 1.00 0.00 H new ATOM 0 HB2 ASN A 25 5.459 -12.107 4.530 1.00 0.00 H new ATOM 0 HB3 ASN A 25 6.715 -11.883 3.328 1.00 0.00 H new ATOM 0 HD21 ASN A 25 7.133 -10.411 7.119 1.00 0.00 H new ATOM 0 HD22 ASN A 25 5.692 -11.282 6.583 1.00 0.00 H new ATOM 391 N GLN A 26 4.490 -11.681 1.468 1.00 0.00 N ATOM 392 CA GLN A 26 4.380 -12.063 0.063 1.00 0.00 C ATOM 393 C GLN A 26 3.829 -10.912 -0.771 1.00 0.00 C ATOM 394 O GLN A 26 4.371 -10.578 -1.825 1.00 0.00 O ATOM 395 CB GLN A 26 3.479 -13.291 -0.083 1.00 0.00 C ATOM 396 CG GLN A 26 4.023 -14.334 -1.044 1.00 0.00 C ATOM 397 CD GLN A 26 3.251 -15.638 -0.986 1.00 0.00 C ATOM 398 OE1 GLN A 26 2.088 -15.702 -1.382 1.00 0.00 O ATOM 399 NE2 GLN A 26 3.898 -16.686 -0.489 1.00 0.00 N ATOM 0 H GLN A 26 3.985 -12.290 2.113 1.00 0.00 H new ATOM 0 HA GLN A 26 5.378 -12.307 -0.302 1.00 0.00 H new ATOM 0 HB2 GLN A 26 3.341 -13.749 0.897 1.00 0.00 H new ATOM 0 HB3 GLN A 26 2.495 -12.971 -0.426 1.00 0.00 H new ATOM 0 HG2 GLN A 26 3.988 -13.940 -2.060 1.00 0.00 H new ATOM 0 HG3 GLN A 26 5.071 -14.525 -0.812 1.00 0.00 H new ATOM 0 HE21 GLN A 26 4.863 -16.587 -0.172 1.00 0.00 H new ATOM 0 HE22 GLN A 26 3.430 -17.590 -0.424 1.00 0.00 H new ATOM 408 N LEU A 27 2.742 -10.313 -0.293 1.00 0.00 N ATOM 409 CA LEU A 27 2.115 -9.195 -0.988 1.00 0.00 C ATOM 410 C LEU A 27 3.112 -8.062 -1.209 1.00 0.00 C ATOM 411 O LEU A 27 3.237 -7.543 -2.320 1.00 0.00 O ATOM 412 CB LEU A 27 0.909 -8.684 -0.192 1.00 0.00 C ATOM 413 CG LEU A 27 -0.295 -8.245 -1.033 1.00 0.00 C ATOM 414 CD1 LEU A 27 0.056 -7.034 -1.883 1.00 0.00 C ATOM 415 CD2 LEU A 27 -0.786 -9.389 -1.909 1.00 0.00 C ATOM 0 H LEU A 27 2.277 -10.584 0.574 1.00 0.00 H new ATOM 0 HA LEU A 27 1.776 -9.549 -1.961 1.00 0.00 H new ATOM 0 HB2 LEU A 27 0.587 -9.470 0.491 1.00 0.00 H new ATOM 0 HB3 LEU A 27 1.230 -7.841 0.420 1.00 0.00 H new ATOM 0 HG LEU A 27 -1.100 -7.965 -0.353 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -0.812 -6.739 -2.472 1.00 0.00 H new ATOM 0 HD12 LEU A 27 0.353 -6.209 -1.236 1.00 0.00 H new ATOM 0 HD13 LEU A 27 0.880 -7.285 -2.552 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -1.641 -9.056 -2.497 1.00 0.00 H new ATOM 0 HD22 LEU A 27 0.014 -9.704 -2.578 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -1.084 -10.227 -1.279 1.00 0.00 H new ATOM 427 N ILE A 28 3.819 -7.679 -0.148 1.00 0.00 N ATOM 428 CA ILE A 28 4.802 -6.605 -0.229 1.00 0.00 C ATOM 429 C ILE A 28 5.890 -6.916 -1.251 1.00 0.00 C ATOM 430 O ILE A 28 6.282 -6.046 -2.030 1.00 0.00 O ATOM 431 CB ILE A 28 5.459 -6.341 1.142 1.00 0.00 C ATOM 432 CG1 ILE A 28 4.402 -5.936 2.174 1.00 0.00 C ATOM 433 CG2 ILE A 28 6.532 -5.266 1.022 1.00 0.00 C ATOM 434 CD1 ILE A 28 3.700 -4.632 1.854 1.00 0.00 C ATOM 0 H ILE A 28 3.728 -8.098 0.778 1.00 0.00 H new ATOM 0 HA ILE A 28 4.262 -5.713 -0.547 1.00 0.00 H new ATOM 0 HB ILE A 28 5.934 -7.262 1.480 1.00 0.00 H new ATOM 0 HG12 ILE A 28 3.658 -6.729 2.248 1.00 0.00 H new ATOM 0 HG13 ILE A 28 4.876 -5.852 3.152 1.00 0.00 H new ATOM 0 HG21 ILE A 28 6.984 -5.093 1.998 1.00 0.00 H new ATOM 0 HG22 ILE A 28 7.299 -5.594 0.320 1.00 0.00 H new ATOM 0 HG23 ILE A 28 6.082 -4.341 0.662 1.00 0.00 H new ATOM 0 HD11 ILE A 28 2.967 -4.413 2.630 1.00 0.00 H new ATOM 0 HD12 ILE A 28 4.432 -3.826 1.809 1.00 0.00 H new ATOM 0 HD13 ILE A 28 3.195 -4.717 0.892 1.00 0.00 H new ATOM 446 N ASN A 29 6.375 -8.156 -1.251 1.00 0.00 N ATOM 447 CA ASN A 29 7.419 -8.561 -2.184 1.00 0.00 C ATOM 448 C ASN A 29 6.924 -8.444 -3.617 1.00 0.00 C ATOM 449 O ASN A 29 7.624 -7.918 -4.484 1.00 0.00 O ATOM 450 CB ASN A 29 7.859 -9.999 -1.898 1.00 0.00 C ATOM 451 CG ASN A 29 9.316 -10.237 -2.243 1.00 0.00 C ATOM 452 OD1 ASN A 29 9.639 -10.696 -3.339 1.00 0.00 O ATOM 453 ND2 ASN A 29 10.205 -9.926 -1.306 1.00 0.00 N ATOM 0 H ASN A 29 6.063 -8.893 -0.618 1.00 0.00 H new ATOM 0 HA ASN A 29 8.274 -7.898 -2.053 1.00 0.00 H new ATOM 0 HB2 ASN A 29 7.697 -10.223 -0.844 1.00 0.00 H new ATOM 0 HB3 ASN A 29 7.236 -10.687 -2.469 1.00 0.00 H new ATOM 0 HD21 ASN A 29 11.200 -10.065 -1.481 1.00 0.00 H new ATOM 0 HD22 ASN A 29 9.892 -9.548 -0.412 1.00 0.00 H new ATOM 460 N HIS A 30 5.716 -8.943 -3.860 1.00 0.00 N ATOM 461 CA HIS A 30 5.120 -8.879 -5.187 1.00 0.00 C ATOM 462 C HIS A 30 5.120 -7.442 -5.686 1.00 0.00 C ATOM 463 O HIS A 30 5.516 -7.164 -6.818 1.00 0.00 O ATOM 464 CB HIS A 30 3.692 -9.427 -5.159 1.00 0.00 C ATOM 465 CG HIS A 30 3.453 -10.523 -6.152 1.00 0.00 C ATOM 466 ND1 HIS A 30 3.600 -10.352 -7.512 1.00 0.00 N ATOM 467 CD2 HIS A 30 3.074 -11.811 -5.976 1.00 0.00 C ATOM 468 CE1 HIS A 30 3.322 -11.486 -8.129 1.00 0.00 C ATOM 469 NE2 HIS A 30 3.001 -12.387 -7.221 1.00 0.00 N ATOM 0 H HIS A 30 5.133 -9.395 -3.156 1.00 0.00 H new ATOM 0 HA HIS A 30 5.712 -9.492 -5.867 1.00 0.00 H new ATOM 0 HB2 HIS A 30 3.474 -9.800 -4.158 1.00 0.00 H new ATOM 0 HB3 HIS A 30 2.995 -8.612 -5.354 1.00 0.00 H new ATOM 0 HD1 HIS A 30 3.880 -9.485 -7.970 1.00 0.00 H new ATOM 0 HD2 HIS A 30 2.868 -12.295 -5.033 1.00 0.00 H new ATOM 0 HE1 HIS A 30 3.352 -11.648 -9.196 1.00 0.00 H new ATOM 478 N ILE A 31 4.670 -6.532 -4.827 1.00 0.00 N ATOM 479 CA ILE A 31 4.631 -5.115 -5.168 1.00 0.00 C ATOM 480 C ILE A 31 6.026 -4.610 -5.521 1.00 0.00 C ATOM 481 O ILE A 31 6.220 -3.953 -6.545 1.00 0.00 O ATOM 482 CB ILE A 31 4.065 -4.266 -4.010 1.00 0.00 C ATOM 483 CG1 ILE A 31 2.641 -4.709 -3.672 1.00 0.00 C ATOM 484 CG2 ILE A 31 4.095 -2.788 -4.370 1.00 0.00 C ATOM 485 CD1 ILE A 31 2.132 -4.151 -2.360 1.00 0.00 C ATOM 0 H ILE A 31 4.328 -6.751 -3.891 1.00 0.00 H new ATOM 0 HA ILE A 31 3.972 -5.011 -6.030 1.00 0.00 H new ATOM 0 HB ILE A 31 4.691 -4.417 -3.130 1.00 0.00 H new ATOM 0 HG12 ILE A 31 1.972 -4.398 -4.474 1.00 0.00 H new ATOM 0 HG13 ILE A 31 2.607 -5.798 -3.633 1.00 0.00 H new ATOM 0 HG21 ILE A 31 3.692 -2.204 -3.543 1.00 0.00 H new ATOM 0 HG22 ILE A 31 5.123 -2.482 -4.564 1.00 0.00 H new ATOM 0 HG23 ILE A 31 3.491 -2.618 -5.261 1.00 0.00 H new ATOM 0 HD11 ILE A 31 1.117 -4.506 -2.183 1.00 0.00 H new ATOM 0 HD12 ILE A 31 2.779 -4.483 -1.548 1.00 0.00 H new ATOM 0 HD13 ILE A 31 2.134 -3.062 -2.403 1.00 0.00 H new ATOM 497 N GLU A 32 6.994 -4.925 -4.662 1.00 0.00 N ATOM 498 CA GLU A 32 8.376 -4.511 -4.878 1.00 0.00 C ATOM 499 C GLU A 32 8.866 -4.959 -6.250 1.00 0.00 C ATOM 500 O GLU A 32 9.539 -4.208 -6.956 1.00 0.00 O ATOM 501 CB GLU A 32 9.280 -5.088 -3.786 1.00 0.00 C ATOM 502 CG GLU A 32 9.384 -4.204 -2.554 1.00 0.00 C ATOM 503 CD GLU A 32 10.331 -4.767 -1.511 1.00 0.00 C ATOM 504 OE1 GLU A 32 9.875 -5.563 -0.664 1.00 0.00 O ATOM 505 OE2 GLU A 32 11.528 -4.413 -1.544 1.00 0.00 O ATOM 0 H GLU A 32 6.845 -5.466 -3.810 1.00 0.00 H new ATOM 0 HA GLU A 32 8.416 -3.423 -4.834 1.00 0.00 H new ATOM 0 HB2 GLU A 32 8.900 -6.066 -3.490 1.00 0.00 H new ATOM 0 HB3 GLU A 32 10.278 -5.244 -4.196 1.00 0.00 H new ATOM 0 HG2 GLU A 32 9.724 -3.212 -2.851 1.00 0.00 H new ATOM 0 HG3 GLU A 32 8.394 -4.083 -2.113 1.00 0.00 H new ATOM 512 N GLN A 33 8.526 -6.189 -6.621 1.00 0.00 N ATOM 513 CA GLN A 33 8.923 -6.732 -7.913 1.00 0.00 C ATOM 514 C GLN A 33 8.293 -5.922 -9.039 1.00 0.00 C ATOM 515 O GLN A 33 8.974 -5.508 -9.977 1.00 0.00 O ATOM 516 CB GLN A 33 8.507 -8.200 -8.027 1.00 0.00 C ATOM 517 CG GLN A 33 9.543 -9.169 -7.482 1.00 0.00 C ATOM 518 CD GLN A 33 9.037 -10.598 -7.436 1.00 0.00 C ATOM 519 OE1 GLN A 33 8.250 -10.963 -6.563 1.00 0.00 O ATOM 520 NE2 GLN A 33 9.489 -11.415 -8.380 1.00 0.00 N ATOM 0 H GLN A 33 7.977 -6.827 -6.045 1.00 0.00 H new ATOM 0 HA GLN A 33 10.008 -6.670 -7.996 1.00 0.00 H new ATOM 0 HB2 GLN A 33 7.568 -8.346 -7.492 1.00 0.00 H new ATOM 0 HB3 GLN A 33 8.317 -8.435 -9.074 1.00 0.00 H new ATOM 0 HG2 GLN A 33 10.439 -9.124 -8.102 1.00 0.00 H new ATOM 0 HG3 GLN A 33 9.834 -8.858 -6.479 1.00 0.00 H new ATOM 0 HE21 GLN A 33 10.141 -11.069 -9.084 1.00 0.00 H new ATOM 0 HE22 GLN A 33 9.184 -12.388 -8.401 1.00 0.00 H new ATOM 529 N PHE A 34 6.985 -5.704 -8.935 1.00 0.00 N ATOM 530 CA PHE A 34 6.255 -4.932 -9.935 1.00 0.00 C ATOM 531 C PHE A 34 6.916 -3.575 -10.155 1.00 0.00 C ATOM 532 O PHE A 34 6.790 -2.977 -11.225 1.00 0.00 O ATOM 533 CB PHE A 34 4.798 -4.738 -9.503 1.00 0.00 C ATOM 534 CG PHE A 34 3.970 -5.992 -9.578 1.00 0.00 C ATOM 535 CD1 PHE A 34 4.017 -6.809 -10.697 1.00 0.00 C ATOM 536 CD2 PHE A 34 3.141 -6.351 -8.526 1.00 0.00 C ATOM 537 CE1 PHE A 34 3.255 -7.960 -10.764 1.00 0.00 C ATOM 538 CE2 PHE A 34 2.377 -7.501 -8.589 1.00 0.00 C ATOM 539 CZ PHE A 34 2.433 -8.306 -9.710 1.00 0.00 C ATOM 0 H PHE A 34 6.409 -6.051 -8.168 1.00 0.00 H new ATOM 0 HA PHE A 34 6.275 -5.487 -10.873 1.00 0.00 H new ATOM 0 HB2 PHE A 34 4.779 -4.362 -8.480 1.00 0.00 H new ATOM 0 HB3 PHE A 34 4.341 -3.974 -10.132 1.00 0.00 H new ATOM 0 HD1 PHE A 34 4.656 -6.543 -11.526 1.00 0.00 H new ATOM 0 HD2 PHE A 34 3.092 -5.725 -7.647 1.00 0.00 H new ATOM 0 HE1 PHE A 34 3.302 -8.589 -11.641 1.00 0.00 H new ATOM 0 HE2 PHE A 34 1.737 -7.770 -7.762 1.00 0.00 H new ATOM 0 HZ PHE A 34 1.835 -9.204 -9.762 1.00 0.00 H new ATOM 549 N LEU A 35 7.621 -3.094 -9.135 1.00 0.00 N ATOM 550 CA LEU A 35 8.310 -1.811 -9.216 1.00 0.00 C ATOM 551 C LEU A 35 9.620 -1.950 -9.986 1.00 0.00 C ATOM 552 O LEU A 35 9.989 -1.072 -10.766 1.00 0.00 O ATOM 553 CB LEU A 35 8.586 -1.264 -7.814 1.00 0.00 C ATOM 554 CG LEU A 35 7.359 -0.730 -7.072 1.00 0.00 C ATOM 555 CD1 LEU A 35 7.408 -1.127 -5.605 1.00 0.00 C ATOM 556 CD2 LEU A 35 7.269 0.781 -7.214 1.00 0.00 C ATOM 0 H LEU A 35 7.730 -3.574 -8.242 1.00 0.00 H new ATOM 0 HA LEU A 35 7.665 -1.112 -9.748 1.00 0.00 H new ATOM 0 HB2 LEU A 35 9.038 -2.055 -7.215 1.00 0.00 H new ATOM 0 HB3 LEU A 35 9.321 -0.463 -7.892 1.00 0.00 H new ATOM 0 HG LEU A 35 6.467 -1.172 -7.517 1.00 0.00 H new ATOM 0 HD11 LEU A 35 6.527 -0.739 -5.093 1.00 0.00 H new ATOM 0 HD12 LEU A 35 7.426 -2.214 -5.523 1.00 0.00 H new ATOM 0 HD13 LEU A 35 8.306 -0.714 -5.146 1.00 0.00 H new ATOM 0 HD21 LEU A 35 6.391 1.145 -6.681 1.00 0.00 H new ATOM 0 HD22 LEU A 35 8.164 1.240 -6.795 1.00 0.00 H new ATOM 0 HD23 LEU A 35 7.187 1.043 -8.269 1.00 0.00 H new ATOM 568 N ASP A 36 10.316 -3.060 -9.758 1.00 0.00 N ATOM 569 CA ASP A 36 11.586 -3.320 -10.427 1.00 0.00 C ATOM 570 C ASP A 36 11.411 -3.346 -11.943 1.00 0.00 C ATOM 571 O ASP A 36 12.227 -2.794 -12.680 1.00 0.00 O ATOM 572 CB ASP A 36 12.174 -4.650 -9.949 1.00 0.00 C ATOM 573 CG ASP A 36 13.576 -4.885 -10.476 1.00 0.00 C ATOM 574 OD1 ASP A 36 13.710 -5.305 -11.643 1.00 0.00 O ATOM 575 OD2 ASP A 36 14.541 -4.646 -9.719 1.00 0.00 O ATOM 0 H ASP A 36 10.021 -3.794 -9.114 1.00 0.00 H new ATOM 0 HA ASP A 36 12.272 -2.512 -10.173 1.00 0.00 H new ATOM 0 HB2 ASP A 36 12.191 -4.666 -8.859 1.00 0.00 H new ATOM 0 HB3 ASP A 36 11.527 -5.466 -10.270 1.00 0.00 H new ATOM 580 N THR A 37 10.341 -3.991 -12.400 1.00 0.00 N ATOM 581 CA THR A 37 10.059 -4.087 -13.827 1.00 0.00 C ATOM 582 C THR A 37 9.923 -2.704 -14.455 1.00 0.00 C ATOM 583 O THR A 37 10.238 -2.511 -15.629 1.00 0.00 O ATOM 584 CB THR A 37 8.769 -4.886 -14.092 1.00 0.00 C ATOM 585 OG1 THR A 37 7.939 -4.879 -12.925 1.00 0.00 O ATOM 586 CG2 THR A 37 9.092 -6.321 -14.481 1.00 0.00 C ATOM 0 H THR A 37 9.656 -4.454 -11.802 1.00 0.00 H new ATOM 0 HA THR A 37 10.902 -4.609 -14.281 1.00 0.00 H new ATOM 0 HB THR A 37 8.238 -4.412 -14.918 1.00 0.00 H new ATOM 0 HG1 THR A 37 7.773 -3.954 -12.647 1.00 0.00 H new ATOM 0 HG21 THR A 37 8.166 -6.866 -14.663 1.00 0.00 H new ATOM 0 HG22 THR A 37 9.699 -6.325 -15.386 1.00 0.00 H new ATOM 0 HG23 THR A 37 9.643 -6.802 -13.673 1.00 0.00 H new ATOM 594 N ASN A 38 9.449 -1.746 -13.662 1.00 0.00 N ATOM 595 CA ASN A 38 9.271 -0.376 -14.131 1.00 0.00 C ATOM 596 C ASN A 38 8.320 -0.326 -15.323 1.00 0.00 C ATOM 597 O ASN A 38 8.534 0.429 -16.273 1.00 0.00 O ATOM 598 CB ASN A 38 10.621 0.237 -14.511 1.00 0.00 C ATOM 599 CG ASN A 38 10.703 1.713 -14.170 1.00 0.00 C ATOM 600 OD1 ASN A 38 10.978 2.547 -15.032 1.00 0.00 O ATOM 601 ND2 ASN A 38 10.464 2.042 -12.905 1.00 0.00 N ATOM 0 H ASN A 38 9.181 -1.895 -12.689 1.00 0.00 H new ATOM 0 HA ASN A 38 8.834 0.204 -13.318 1.00 0.00 H new ATOM 0 HB2 ASN A 38 11.418 -0.297 -13.994 1.00 0.00 H new ATOM 0 HB3 ASN A 38 10.789 0.104 -15.580 1.00 0.00 H new ATOM 0 HD21 ASN A 38 10.505 3.019 -12.616 1.00 0.00 H new ATOM 0 HD22 ASN A 38 10.240 1.317 -12.223 1.00 0.00 H new ATOM 608 N GLU A 39 7.268 -1.136 -15.267 1.00 0.00 N ATOM 609 CA GLU A 39 6.281 -1.185 -16.340 1.00 0.00 C ATOM 610 C GLU A 39 5.045 -0.367 -15.978 1.00 0.00 C ATOM 611 O GLU A 39 4.458 -0.550 -14.912 1.00 0.00 O ATOM 612 CB GLU A 39 5.882 -2.633 -16.628 1.00 0.00 C ATOM 613 CG GLU A 39 6.898 -3.388 -17.469 1.00 0.00 C ATOM 614 CD GLU A 39 6.250 -4.221 -18.558 1.00 0.00 C ATOM 615 OE1 GLU A 39 5.590 -3.635 -19.441 1.00 0.00 O ATOM 616 OE2 GLU A 39 6.404 -5.460 -18.529 1.00 0.00 O ATOM 0 H GLU A 39 7.077 -1.768 -14.490 1.00 0.00 H new ATOM 0 HA GLU A 39 6.731 -0.755 -17.235 1.00 0.00 H new ATOM 0 HB2 GLU A 39 5.743 -3.158 -15.683 1.00 0.00 H new ATOM 0 HB3 GLU A 39 4.920 -2.641 -17.141 1.00 0.00 H new ATOM 0 HG2 GLU A 39 7.588 -2.677 -17.923 1.00 0.00 H new ATOM 0 HG3 GLU A 39 7.488 -4.037 -16.823 1.00 0.00 H new ATOM 623 N THR A 40 4.658 0.536 -16.875 1.00 0.00 N ATOM 624 CA THR A 40 3.494 1.388 -16.655 1.00 0.00 C ATOM 625 C THR A 40 2.239 0.568 -16.338 1.00 0.00 C ATOM 626 O THR A 40 1.528 0.873 -15.379 1.00 0.00 O ATOM 627 CB THR A 40 3.215 2.290 -17.873 1.00 0.00 C ATOM 628 OG1 THR A 40 4.448 2.660 -18.502 1.00 0.00 O ATOM 629 CG2 THR A 40 2.457 3.541 -17.458 1.00 0.00 C ATOM 0 H THR A 40 5.135 0.696 -17.762 1.00 0.00 H new ATOM 0 HA THR A 40 3.731 2.014 -15.794 1.00 0.00 H new ATOM 0 HB THR A 40 2.601 1.730 -18.578 1.00 0.00 H new ATOM 0 HG1 THR A 40 4.262 3.232 -19.276 1.00 0.00 H new ATOM 0 HG21 THR A 40 2.272 4.162 -18.335 1.00 0.00 H new ATOM 0 HG22 THR A 40 1.506 3.257 -17.007 1.00 0.00 H new ATOM 0 HG23 THR A 40 3.049 4.102 -16.735 1.00 0.00 H new ATOM 637 N PRO A 41 1.939 -0.479 -17.134 1.00 0.00 N ATOM 638 CA PRO A 41 0.758 -1.322 -16.905 1.00 0.00 C ATOM 639 C PRO A 41 0.735 -1.927 -15.505 1.00 0.00 C ATOM 640 O PRO A 41 -0.148 -1.623 -14.703 1.00 0.00 O ATOM 641 CB PRO A 41 0.890 -2.426 -17.960 1.00 0.00 C ATOM 642 CG PRO A 41 1.754 -1.842 -19.021 1.00 0.00 C ATOM 643 CD PRO A 41 2.709 -0.923 -18.313 1.00 0.00 C ATOM 0 HA PRO A 41 -0.166 -0.749 -16.983 1.00 0.00 H new ATOM 0 HB2 PRO A 41 1.338 -3.325 -17.537 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -0.084 -2.711 -18.357 1.00 0.00 H new ATOM 0 HG2 PRO A 41 2.290 -2.622 -19.562 1.00 0.00 H new ATOM 0 HG3 PRO A 41 1.159 -1.298 -19.754 1.00 0.00 H new ATOM 0 HD2 PRO A 41 3.625 -1.439 -18.025 1.00 0.00 H new ATOM 0 HD3 PRO A 41 3.001 -0.083 -18.943 1.00 0.00 H new ATOM 651 N TYR A 42 1.704 -2.796 -15.226 1.00 0.00 N ATOM 652 CA TYR A 42 1.810 -3.455 -13.925 1.00 0.00 C ATOM 653 C TYR A 42 1.629 -2.481 -12.760 1.00 0.00 C ATOM 654 O TYR A 42 1.138 -2.866 -11.699 1.00 0.00 O ATOM 655 CB TYR A 42 3.163 -4.160 -13.803 1.00 0.00 C ATOM 656 CG TYR A 42 3.285 -5.390 -14.674 1.00 0.00 C ATOM 657 CD1 TYR A 42 3.637 -5.285 -16.014 1.00 0.00 C ATOM 658 CD2 TYR A 42 3.049 -6.657 -14.155 1.00 0.00 C ATOM 659 CE1 TYR A 42 3.749 -6.408 -16.811 1.00 0.00 C ATOM 660 CE2 TYR A 42 3.160 -7.784 -14.947 1.00 0.00 C ATOM 661 CZ TYR A 42 3.511 -7.654 -16.274 1.00 0.00 C ATOM 662 OH TYR A 42 3.622 -8.774 -17.065 1.00 0.00 O ATOM 0 H TYR A 42 2.432 -3.062 -15.889 1.00 0.00 H new ATOM 0 HA TYR A 42 1.003 -4.185 -13.869 1.00 0.00 H new ATOM 0 HB2 TYR A 42 3.954 -3.458 -14.067 1.00 0.00 H new ATOM 0 HB3 TYR A 42 3.323 -4.444 -12.763 1.00 0.00 H new ATOM 0 HD1 TYR A 42 3.826 -4.310 -16.439 1.00 0.00 H new ATOM 0 HD2 TYR A 42 2.774 -6.763 -13.116 1.00 0.00 H new ATOM 0 HE1 TYR A 42 4.022 -6.309 -17.851 1.00 0.00 H new ATOM 0 HE2 TYR A 42 2.973 -8.762 -14.529 1.00 0.00 H new ATOM 0 HH TYR A 42 3.423 -9.572 -16.532 1.00 0.00 H new ATOM 672 N PHE A 43 2.026 -1.225 -12.952 1.00 0.00 N ATOM 673 CA PHE A 43 1.895 -0.223 -11.896 1.00 0.00 C ATOM 674 C PHE A 43 0.439 -0.085 -11.458 1.00 0.00 C ATOM 675 O PHE A 43 0.150 0.088 -10.272 1.00 0.00 O ATOM 676 CB PHE A 43 2.433 1.132 -12.364 1.00 0.00 C ATOM 677 CG PHE A 43 3.837 1.411 -11.905 1.00 0.00 C ATOM 678 CD1 PHE A 43 4.145 1.451 -10.554 1.00 0.00 C ATOM 679 CD2 PHE A 43 4.850 1.632 -12.826 1.00 0.00 C ATOM 680 CE1 PHE A 43 5.434 1.706 -10.130 1.00 0.00 C ATOM 681 CE2 PHE A 43 6.142 1.888 -12.407 1.00 0.00 C ATOM 682 CZ PHE A 43 6.435 1.925 -11.058 1.00 0.00 C ATOM 0 H PHE A 43 2.437 -0.879 -13.819 1.00 0.00 H new ATOM 0 HA PHE A 43 2.485 -0.557 -11.043 1.00 0.00 H new ATOM 0 HB2 PHE A 43 2.401 1.170 -13.453 1.00 0.00 H new ATOM 0 HB3 PHE A 43 1.776 1.921 -11.998 1.00 0.00 H new ATOM 0 HD1 PHE A 43 3.367 1.281 -9.824 1.00 0.00 H new ATOM 0 HD2 PHE A 43 4.627 1.604 -13.882 1.00 0.00 H new ATOM 0 HE1 PHE A 43 5.660 1.734 -9.074 1.00 0.00 H new ATOM 0 HE2 PHE A 43 6.922 2.059 -13.134 1.00 0.00 H new ATOM 0 HZ PHE A 43 7.444 2.125 -10.729 1.00 0.00 H new ATOM 692 N MET A 44 -0.475 -0.162 -12.422 1.00 0.00 N ATOM 693 CA MET A 44 -1.902 -0.059 -12.135 1.00 0.00 C ATOM 694 C MET A 44 -2.322 -1.122 -11.126 1.00 0.00 C ATOM 695 O MET A 44 -3.303 -0.952 -10.399 1.00 0.00 O ATOM 696 CB MET A 44 -2.716 -0.209 -13.421 1.00 0.00 C ATOM 697 CG MET A 44 -2.497 0.920 -14.415 1.00 0.00 C ATOM 698 SD MET A 44 -3.997 1.347 -15.321 1.00 0.00 S ATOM 699 CE MET A 44 -3.669 3.059 -15.732 1.00 0.00 C ATOM 0 H MET A 44 -0.252 -0.295 -13.408 1.00 0.00 H new ATOM 0 HA MET A 44 -2.095 0.925 -11.708 1.00 0.00 H new ATOM 0 HB2 MET A 44 -2.458 -1.155 -13.896 1.00 0.00 H new ATOM 0 HB3 MET A 44 -3.775 -0.258 -13.167 1.00 0.00 H new ATOM 0 HG2 MET A 44 -2.134 1.801 -13.885 1.00 0.00 H new ATOM 0 HG3 MET A 44 -1.720 0.631 -15.122 1.00 0.00 H new ATOM 0 HE1 MET A 44 -4.509 3.465 -16.296 1.00 0.00 H new ATOM 0 HE2 MET A 44 -3.535 3.634 -14.816 1.00 0.00 H new ATOM 0 HE3 MET A 44 -2.763 3.121 -16.335 1.00 0.00 H new ATOM 709 N LYS A 45 -1.570 -2.217 -11.088 1.00 0.00 N ATOM 710 CA LYS A 45 -1.852 -3.309 -10.164 1.00 0.00 C ATOM 711 C LYS A 45 -1.380 -2.944 -8.762 1.00 0.00 C ATOM 712 O LYS A 45 -2.153 -2.994 -7.805 1.00 0.00 O ATOM 713 CB LYS A 45 -1.168 -4.595 -10.632 1.00 0.00 C ATOM 714 CG LYS A 45 -2.001 -5.845 -10.402 1.00 0.00 C ATOM 715 CD LYS A 45 -2.027 -6.731 -11.636 1.00 0.00 C ATOM 716 CE LYS A 45 -3.186 -7.714 -11.591 1.00 0.00 C ATOM 717 NZ LYS A 45 -2.790 -9.063 -12.083 1.00 0.00 N ATOM 0 H LYS A 45 -0.759 -2.372 -11.687 1.00 0.00 H new ATOM 0 HA LYS A 45 -2.929 -3.477 -10.142 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -0.941 -4.510 -11.695 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -0.217 -4.701 -10.111 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -1.595 -6.405 -9.559 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -3.019 -5.561 -10.135 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -2.109 -6.111 -12.529 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -1.087 -7.278 -11.713 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -3.554 -7.794 -10.568 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -4.008 -7.334 -12.197 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -3.550 -9.743 -11.880 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -2.625 -9.024 -13.109 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -1.918 -9.365 -11.603 1.00 0.00 H new ATOM 731 N SER A 46 -0.099 -2.590 -8.652 1.00 0.00 N ATOM 732 CA SER A 46 0.480 -2.193 -7.372 1.00 0.00 C ATOM 733 C SER A 46 -0.468 -1.266 -6.618 1.00 0.00 C ATOM 734 O SER A 46 -0.700 -1.446 -5.425 1.00 0.00 O ATOM 735 CB SER A 46 1.827 -1.502 -7.587 1.00 0.00 C ATOM 736 OG SER A 46 2.461 -1.977 -8.762 1.00 0.00 O ATOM 0 H SER A 46 0.555 -2.571 -9.434 1.00 0.00 H new ATOM 0 HA SER A 46 0.637 -3.092 -6.775 1.00 0.00 H new ATOM 0 HB2 SER A 46 1.679 -0.425 -7.660 1.00 0.00 H new ATOM 0 HB3 SER A 46 2.471 -1.678 -6.726 1.00 0.00 H new ATOM 0 HG SER A 46 3.319 -1.519 -8.879 1.00 0.00 H new ATOM 742 N ILE A 47 -0.999 -0.264 -7.312 1.00 0.00 N ATOM 743 CA ILE A 47 -1.951 0.654 -6.697 1.00 0.00 C ATOM 744 C ILE A 47 -3.138 -0.124 -6.138 1.00 0.00 C ATOM 745 O ILE A 47 -3.527 0.052 -4.981 1.00 0.00 O ATOM 746 CB ILE A 47 -2.459 1.705 -7.701 1.00 0.00 C ATOM 747 CG1 ILE A 47 -1.281 2.412 -8.371 1.00 0.00 C ATOM 748 CG2 ILE A 47 -3.361 2.712 -7.002 1.00 0.00 C ATOM 749 CD1 ILE A 47 -1.658 3.143 -9.639 1.00 0.00 C ATOM 0 H ILE A 47 -0.789 -0.068 -8.291 1.00 0.00 H new ATOM 0 HA ILE A 47 -1.432 1.174 -5.892 1.00 0.00 H new ATOM 0 HB ILE A 47 -3.041 1.199 -8.472 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -0.846 3.122 -7.668 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -0.509 1.677 -8.601 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -3.712 3.449 -7.724 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -4.216 2.194 -6.567 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -2.802 3.215 -6.213 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -0.774 3.621 -10.060 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -2.066 2.434 -10.360 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -2.407 3.902 -9.413 1.00 0.00 H new ATOM 761 N ASP A 48 -3.709 -0.989 -6.974 1.00 0.00 N ATOM 762 CA ASP A 48 -4.840 -1.817 -6.567 1.00 0.00 C ATOM 763 C ASP A 48 -4.417 -2.767 -5.452 1.00 0.00 C ATOM 764 O ASP A 48 -5.252 -3.309 -4.724 1.00 0.00 O ATOM 765 CB ASP A 48 -5.377 -2.610 -7.760 1.00 0.00 C ATOM 766 CG ASP A 48 -6.860 -2.899 -7.642 1.00 0.00 C ATOM 767 OD1 ASP A 48 -7.217 -3.946 -7.061 1.00 0.00 O ATOM 768 OD2 ASP A 48 -7.666 -2.079 -8.131 1.00 0.00 O ATOM 0 H ASP A 48 -3.406 -1.134 -7.937 1.00 0.00 H new ATOM 0 HA ASP A 48 -5.633 -1.168 -6.197 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -5.190 -2.052 -8.677 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -4.832 -3.550 -7.843 1.00 0.00 H new ATOM 773 N CYS A 49 -3.107 -2.955 -5.330 1.00 0.00 N ATOM 774 CA CYS A 49 -2.548 -3.829 -4.309 1.00 0.00 C ATOM 775 C CYS A 49 -2.462 -3.082 -2.986 1.00 0.00 C ATOM 776 O CYS A 49 -2.864 -3.600 -1.942 1.00 0.00 O ATOM 777 CB CYS A 49 -1.166 -4.340 -4.722 1.00 0.00 C ATOM 778 SG CYS A 49 -1.173 -5.366 -6.211 1.00 0.00 S ATOM 0 H CYS A 49 -2.411 -2.511 -5.929 1.00 0.00 H new ATOM 0 HA CYS A 49 -3.204 -4.692 -4.193 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -0.509 -3.486 -4.885 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -0.742 -4.916 -3.899 1.00 0.00 H new ATOM 0 HG CYS A 49 -1.751 -4.720 -7.180 1.00 0.00 H new ATOM 784 N ILE A 50 -1.937 -1.858 -3.035 1.00 0.00 N ATOM 785 CA ILE A 50 -1.815 -1.025 -1.848 1.00 0.00 C ATOM 786 C ILE A 50 -3.191 -0.761 -1.250 1.00 0.00 C ATOM 787 O ILE A 50 -3.326 -0.496 -0.057 1.00 0.00 O ATOM 788 CB ILE A 50 -1.121 0.318 -2.184 1.00 0.00 C ATOM 789 CG1 ILE A 50 -0.097 0.684 -1.109 1.00 0.00 C ATOM 790 CG2 ILE A 50 -2.141 1.439 -2.351 1.00 0.00 C ATOM 791 CD1 ILE A 50 1.048 1.523 -1.632 1.00 0.00 C ATOM 0 H ILE A 50 -1.589 -1.424 -3.890 1.00 0.00 H new ATOM 0 HA ILE A 50 -1.202 -1.557 -1.120 1.00 0.00 H new ATOM 0 HB ILE A 50 -0.598 0.192 -3.132 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -0.600 1.227 -0.309 1.00 0.00 H new ATOM 0 HG13 ILE A 50 0.303 -0.231 -0.672 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -1.624 2.369 -2.586 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -2.826 1.190 -3.161 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -2.703 1.560 -1.425 1.00 0.00 H new ATOM 0 HD11 ILE A 50 1.737 1.747 -0.817 1.00 0.00 H new ATOM 0 HD12 ILE A 50 1.575 0.974 -2.412 1.00 0.00 H new ATOM 0 HD13 ILE A 50 0.658 2.454 -2.044 1.00 0.00 H new ATOM 803 N ARG A 51 -4.209 -0.843 -2.101 1.00 0.00 N ATOM 804 CA ARG A 51 -5.583 -0.624 -1.673 1.00 0.00 C ATOM 805 C ARG A 51 -6.106 -1.859 -0.954 1.00 0.00 C ATOM 806 O ARG A 51 -6.621 -1.774 0.162 1.00 0.00 O ATOM 807 CB ARG A 51 -6.473 -0.295 -2.874 1.00 0.00 C ATOM 808 CG ARG A 51 -6.333 1.139 -3.360 1.00 0.00 C ATOM 809 CD ARG A 51 -7.679 1.843 -3.412 1.00 0.00 C ATOM 810 NE ARG A 51 -7.589 3.148 -4.062 1.00 0.00 N ATOM 811 CZ ARG A 51 -8.644 3.824 -4.510 1.00 0.00 C ATOM 812 NH1 ARG A 51 -9.864 3.320 -4.379 1.00 0.00 N ATOM 813 NH2 ARG A 51 -8.478 5.005 -5.089 1.00 0.00 N ATOM 0 H ARG A 51 -4.106 -1.060 -3.092 1.00 0.00 H new ATOM 0 HA ARG A 51 -5.604 0.222 -0.986 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -6.230 -0.973 -3.692 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -7.513 -0.479 -2.606 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -5.661 1.685 -2.698 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -5.879 1.146 -4.351 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -8.394 1.219 -3.949 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -8.062 1.968 -2.399 1.00 0.00 H new ATOM 0 HE ARG A 51 -6.665 3.565 -4.179 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -9.995 2.412 -3.934 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -10.671 3.841 -4.723 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -7.541 5.396 -5.191 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -9.287 5.523 -5.432 1.00 0.00 H new ATOM 827 N ALA A 52 -5.978 -3.008 -1.607 1.00 0.00 N ATOM 828 CA ALA A 52 -6.424 -4.267 -1.023 1.00 0.00 C ATOM 829 C ALA A 52 -5.706 -4.539 0.297 1.00 0.00 C ATOM 830 O ALA A 52 -6.273 -5.129 1.216 1.00 0.00 O ATOM 831 CB ALA A 52 -6.195 -5.412 -1.998 1.00 0.00 C ATOM 0 H ALA A 52 -5.570 -3.094 -2.538 1.00 0.00 H new ATOM 0 HA ALA A 52 -7.492 -4.190 -0.819 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -6.533 -6.346 -1.548 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -6.755 -5.227 -2.914 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -5.133 -5.485 -2.231 1.00 0.00 H new ATOM 837 N PHE A 53 -4.452 -4.102 0.376 1.00 0.00 N ATOM 838 CA PHE A 53 -3.643 -4.295 1.575 1.00 0.00 C ATOM 839 C PHE A 53 -4.095 -3.385 2.716 1.00 0.00 C ATOM 840 O PHE A 53 -4.359 -3.856 3.823 1.00 0.00 O ATOM 841 CB PHE A 53 -2.168 -4.039 1.260 1.00 0.00 C ATOM 842 CG PHE A 53 -1.222 -4.754 2.183 1.00 0.00 C ATOM 843 CD1 PHE A 53 -1.021 -4.301 3.478 1.00 0.00 C ATOM 844 CD2 PHE A 53 -0.532 -5.877 1.756 1.00 0.00 C ATOM 845 CE1 PHE A 53 -0.151 -4.956 4.328 1.00 0.00 C ATOM 846 CE2 PHE A 53 0.339 -6.536 2.603 1.00 0.00 C ATOM 847 CZ PHE A 53 0.531 -6.075 3.890 1.00 0.00 C ATOM 0 H PHE A 53 -3.973 -3.610 -0.379 1.00 0.00 H new ATOM 0 HA PHE A 53 -3.774 -5.327 1.899 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -1.965 -4.349 0.235 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -1.974 -2.968 1.314 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -1.550 -3.426 3.826 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -0.676 -6.242 0.750 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -0.004 -4.593 5.335 1.00 0.00 H new ATOM 0 HE2 PHE A 53 0.869 -7.411 2.258 1.00 0.00 H new ATOM 0 HZ PHE A 53 1.212 -6.588 4.553 1.00 0.00 H new ATOM 857 N ARG A 54 -4.180 -2.082 2.449 1.00 0.00 N ATOM 858 CA ARG A 54 -4.595 -1.125 3.472 1.00 0.00 C ATOM 859 C ARG A 54 -5.978 -1.466 4.009 1.00 0.00 C ATOM 860 O ARG A 54 -6.282 -1.208 5.171 1.00 0.00 O ATOM 861 CB ARG A 54 -4.582 0.306 2.926 1.00 0.00 C ATOM 862 CG ARG A 54 -5.550 0.539 1.781 1.00 0.00 C ATOM 863 CD ARG A 54 -6.391 1.784 2.009 1.00 0.00 C ATOM 864 NE ARG A 54 -7.822 1.505 1.909 1.00 0.00 N ATOM 865 CZ ARG A 54 -8.765 2.311 2.388 1.00 0.00 C ATOM 866 NH1 ARG A 54 -8.432 3.440 2.999 1.00 0.00 N ATOM 867 NH2 ARG A 54 -10.044 1.988 2.256 1.00 0.00 N ATOM 0 H ARG A 54 -3.969 -1.668 1.541 1.00 0.00 H new ATOM 0 HA ARG A 54 -3.878 -1.189 4.291 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -4.821 0.995 3.736 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -3.573 0.547 2.590 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -4.995 0.639 0.848 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -6.202 -0.327 1.672 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -6.170 2.195 2.994 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -6.118 2.545 1.277 1.00 0.00 H new ATOM 0 HE ARG A 54 -8.114 0.644 1.446 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -7.449 3.693 3.103 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -9.159 4.055 3.365 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -10.305 1.121 1.787 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -10.767 2.607 2.624 1.00 0.00 H new ATOM 881 N GLU A 55 -6.815 -2.047 3.159 1.00 0.00 N ATOM 882 CA GLU A 55 -8.164 -2.422 3.563 1.00 0.00 C ATOM 883 C GLU A 55 -8.126 -3.595 4.538 1.00 0.00 C ATOM 884 O GLU A 55 -8.691 -3.528 5.629 1.00 0.00 O ATOM 885 CB GLU A 55 -9.002 -2.787 2.337 1.00 0.00 C ATOM 886 CG GLU A 55 -9.693 -1.595 1.695 1.00 0.00 C ATOM 887 CD GLU A 55 -11.172 -1.531 2.023 1.00 0.00 C ATOM 888 OE1 GLU A 55 -11.951 -2.276 1.394 1.00 0.00 O ATOM 889 OE2 GLU A 55 -11.549 -0.736 2.909 1.00 0.00 O ATOM 0 H GLU A 55 -6.585 -2.268 2.190 1.00 0.00 H new ATOM 0 HA GLU A 55 -8.622 -1.569 4.063 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -8.360 -3.265 1.598 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -9.755 -3.520 2.627 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -9.211 -0.677 2.030 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -9.566 -1.646 0.614 1.00 0.00 H new ATOM 896 N GLU A 56 -7.448 -4.664 4.134 1.00 0.00 N ATOM 897 CA GLU A 56 -7.338 -5.860 4.963 1.00 0.00 C ATOM 898 C GLU A 56 -6.527 -5.593 6.230 1.00 0.00 C ATOM 899 O GLU A 56 -6.686 -6.290 7.235 1.00 0.00 O ATOM 900 CB GLU A 56 -6.696 -6.997 4.166 1.00 0.00 C ATOM 901 CG GLU A 56 -7.572 -7.519 3.039 1.00 0.00 C ATOM 902 CD GLU A 56 -8.131 -8.899 3.327 1.00 0.00 C ATOM 903 OE1 GLU A 56 -7.379 -9.886 3.180 1.00 0.00 O ATOM 904 OE2 GLU A 56 -9.319 -8.992 3.700 1.00 0.00 O ATOM 0 H GLU A 56 -6.966 -4.727 3.237 1.00 0.00 H new ATOM 0 HA GLU A 56 -8.346 -6.149 5.262 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -5.751 -6.649 3.749 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -6.462 -7.818 4.844 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -8.396 -6.825 2.873 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -6.991 -7.551 2.117 1.00 0.00 H new ATOM 911 N ALA A 57 -5.666 -4.579 6.184 1.00 0.00 N ATOM 912 CA ALA A 57 -4.828 -4.238 7.328 1.00 0.00 C ATOM 913 C ALA A 57 -5.547 -3.293 8.285 1.00 0.00 C ATOM 914 O ALA A 57 -5.728 -3.608 9.465 1.00 0.00 O ATOM 915 CB ALA A 57 -3.523 -3.615 6.855 1.00 0.00 C ATOM 0 H ALA A 57 -5.531 -3.981 5.369 1.00 0.00 H new ATOM 0 HA ALA A 57 -4.610 -5.159 7.869 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -2.906 -3.365 7.718 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -2.990 -4.324 6.221 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -3.737 -2.710 6.287 1.00 0.00 H new ATOM 921 N ILE A 58 -5.958 -2.136 7.772 1.00 0.00 N ATOM 922 CA ILE A 58 -6.652 -1.144 8.586 1.00 0.00 C ATOM 923 C ILE A 58 -7.879 -1.755 9.251 1.00 0.00 C ATOM 924 O ILE A 58 -8.141 -1.512 10.430 1.00 0.00 O ATOM 925 CB ILE A 58 -7.088 0.079 7.753 1.00 0.00 C ATOM 926 CG1 ILE A 58 -5.867 0.828 7.219 1.00 0.00 C ATOM 927 CG2 ILE A 58 -7.957 1.010 8.588 1.00 0.00 C ATOM 928 CD1 ILE A 58 -6.166 1.675 6.001 1.00 0.00 C ATOM 0 H ILE A 58 -5.822 -1.863 6.798 1.00 0.00 H new ATOM 0 HA ILE A 58 -5.947 -0.812 9.348 1.00 0.00 H new ATOM 0 HB ILE A 58 -7.674 -0.275 6.905 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -5.468 1.467 8.007 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -5.089 0.107 6.969 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -8.256 1.867 7.985 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -8.846 0.475 8.923 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -7.393 1.355 9.454 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -5.256 2.178 5.675 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -6.536 1.039 5.197 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -6.922 2.419 6.252 1.00 0.00 H new ATOM 940 N LYS A 59 -8.627 -2.544 8.486 1.00 0.00 N ATOM 941 CA LYS A 59 -9.822 -3.195 9.004 1.00 0.00 C ATOM 942 C LYS A 59 -9.516 -3.904 10.318 1.00 0.00 C ATOM 943 O LYS A 59 -10.183 -3.668 11.326 1.00 0.00 O ATOM 944 CB LYS A 59 -10.378 -4.188 7.983 1.00 0.00 C ATOM 945 CG LYS A 59 -11.392 -3.577 7.030 1.00 0.00 C ATOM 946 CD LYS A 59 -12.248 -4.644 6.367 1.00 0.00 C ATOM 947 CE LYS A 59 -13.532 -4.058 5.804 1.00 0.00 C ATOM 948 NZ LYS A 59 -14.187 -4.982 4.838 1.00 0.00 N ATOM 0 H LYS A 59 -8.426 -2.747 7.507 1.00 0.00 H new ATOM 0 HA LYS A 59 -10.576 -2.430 9.189 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -9.552 -4.602 7.405 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -10.844 -5.018 8.513 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -12.032 -2.882 7.574 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -10.872 -2.999 6.266 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -11.682 -5.120 5.566 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -12.489 -5.421 7.092 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -14.220 -3.839 6.621 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -13.313 -3.112 5.310 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -15.059 -4.546 4.477 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -13.541 -5.171 4.045 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -14.419 -5.876 5.316 1.00 0.00 H new ATOM 962 N PHE A 60 -8.498 -4.767 10.308 1.00 0.00 N ATOM 963 CA PHE A 60 -8.104 -5.496 11.512 1.00 0.00 C ATOM 964 C PHE A 60 -6.896 -6.387 11.238 1.00 0.00 C ATOM 965 O PHE A 60 -7.034 -7.544 10.843 1.00 0.00 O ATOM 966 CB PHE A 60 -9.272 -6.326 12.076 1.00 0.00 C ATOM 967 CG PHE A 60 -9.870 -7.321 11.114 1.00 0.00 C ATOM 968 CD1 PHE A 60 -10.715 -6.905 10.099 1.00 0.00 C ATOM 969 CD2 PHE A 60 -9.591 -8.674 11.234 1.00 0.00 C ATOM 970 CE1 PHE A 60 -11.269 -7.816 9.221 1.00 0.00 C ATOM 971 CE2 PHE A 60 -10.141 -9.590 10.358 1.00 0.00 C ATOM 972 CZ PHE A 60 -10.982 -9.161 9.350 1.00 0.00 C ATOM 0 H PHE A 60 -7.935 -4.976 9.484 1.00 0.00 H new ATOM 0 HA PHE A 60 -7.825 -4.759 12.265 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -8.924 -6.861 12.959 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -10.057 -5.645 12.405 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -10.944 -5.855 9.993 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -8.936 -9.016 12.022 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -11.926 -7.477 8.434 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -9.913 -10.641 10.461 1.00 0.00 H new ATOM 0 HZ PHE A 60 -11.414 -9.875 8.665 1.00 0.00 H new ATOM 982 N SER A 61 -5.705 -5.836 11.444 1.00 0.00 N ATOM 983 CA SER A 61 -4.476 -6.584 11.222 1.00 0.00 C ATOM 984 C SER A 61 -3.258 -5.800 11.694 1.00 0.00 C ATOM 985 O SER A 61 -2.953 -5.773 12.887 1.00 0.00 O ATOM 986 CB SER A 61 -4.333 -6.952 9.743 1.00 0.00 C ATOM 987 OG SER A 61 -4.705 -8.299 9.515 1.00 0.00 O ATOM 0 H SER A 61 -5.566 -4.877 11.763 1.00 0.00 H new ATOM 0 HA SER A 61 -4.533 -7.501 11.808 1.00 0.00 H new ATOM 0 HB2 SER A 61 -4.956 -6.292 9.139 1.00 0.00 H new ATOM 0 HB3 SER A 61 -3.302 -6.797 9.424 1.00 0.00 H new ATOM 0 HG SER A 61 -4.075 -8.711 8.887 1.00 0.00 H new ATOM 993 N GLU A 62 -2.562 -5.164 10.759 1.00 0.00 N ATOM 994 CA GLU A 62 -1.371 -4.394 11.095 1.00 0.00 C ATOM 995 C GLU A 62 -1.412 -3.010 10.462 1.00 0.00 C ATOM 996 O GLU A 62 -0.598 -2.687 9.598 1.00 0.00 O ATOM 997 CB GLU A 62 -0.114 -5.140 10.641 1.00 0.00 C ATOM 998 CG GLU A 62 0.147 -6.420 11.417 1.00 0.00 C ATOM 999 CD GLU A 62 1.442 -7.095 11.007 1.00 0.00 C ATOM 1000 OE1 GLU A 62 2.521 -6.563 11.342 1.00 0.00 O ATOM 1001 OE2 GLU A 62 1.376 -8.156 10.351 1.00 0.00 O ATOM 0 H GLU A 62 -2.800 -5.166 9.767 1.00 0.00 H new ATOM 0 HA GLU A 62 -1.345 -4.272 12.178 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -0.206 -5.380 9.582 1.00 0.00 H new ATOM 0 HB3 GLU A 62 0.747 -4.480 10.745 1.00 0.00 H new ATOM 0 HG2 GLU A 62 0.181 -6.194 12.483 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -0.683 -7.110 11.263 1.00 0.00 H new ATOM 1008 N GLU A 63 -2.375 -2.203 10.885 1.00 0.00 N ATOM 1009 CA GLU A 63 -2.515 -0.844 10.370 1.00 0.00 C ATOM 1010 C GLU A 63 -1.203 -0.065 10.497 1.00 0.00 C ATOM 1011 O GLU A 63 -0.867 0.745 9.631 1.00 0.00 O ATOM 1012 CB GLU A 63 -3.631 -0.108 11.115 1.00 0.00 C ATOM 1013 CG GLU A 63 -3.517 -0.204 12.628 1.00 0.00 C ATOM 1014 CD GLU A 63 -4.815 0.142 13.333 1.00 0.00 C ATOM 1015 OE1 GLU A 63 -5.653 -0.766 13.513 1.00 0.00 O ATOM 1016 OE2 GLU A 63 -4.991 1.321 13.707 1.00 0.00 O ATOM 0 H GLU A 63 -3.072 -2.464 11.583 1.00 0.00 H new ATOM 0 HA GLU A 63 -2.771 -0.912 9.313 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -3.620 0.942 10.824 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -4.594 -0.515 10.805 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -3.217 -1.215 12.903 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -2.730 0.467 12.973 1.00 0.00 H new ATOM 1023 N GLN A 64 -0.466 -0.322 11.575 1.00 0.00 N ATOM 1024 CA GLN A 64 0.807 0.358 11.816 1.00 0.00 C ATOM 1025 C GLN A 64 1.861 -0.073 10.801 1.00 0.00 C ATOM 1026 O GLN A 64 2.840 0.640 10.560 1.00 0.00 O ATOM 1027 CB GLN A 64 1.302 0.073 13.236 1.00 0.00 C ATOM 1028 CG GLN A 64 0.233 0.256 14.301 1.00 0.00 C ATOM 1029 CD GLN A 64 0.777 0.096 15.707 1.00 0.00 C ATOM 1030 OE1 GLN A 64 0.688 1.010 16.527 1.00 0.00 O ATOM 1031 NE2 GLN A 64 1.345 -1.070 15.993 1.00 0.00 N ATOM 0 H GLN A 64 -0.727 -0.995 12.296 1.00 0.00 H new ATOM 0 HA GLN A 64 0.641 1.429 11.704 1.00 0.00 H new ATOM 0 HB2 GLN A 64 1.678 -0.949 13.282 1.00 0.00 H new ATOM 0 HB3 GLN A 64 2.141 0.732 13.458 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -0.212 1.246 14.198 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -0.564 -0.470 14.139 1.00 0.00 H new ATOM 0 HE21 GLN A 64 1.397 -1.800 15.282 1.00 0.00 H new ATOM 0 HE22 GLN A 64 1.729 -1.236 16.923 1.00 0.00 H new ATOM 1040 N ARG A 65 1.657 -1.242 10.207 1.00 0.00 N ATOM 1041 CA ARG A 65 2.585 -1.761 9.211 1.00 0.00 C ATOM 1042 C ARG A 65 2.441 -0.978 7.913 1.00 0.00 C ATOM 1043 O ARG A 65 3.348 -0.959 7.074 1.00 0.00 O ATOM 1044 CB ARG A 65 2.328 -3.250 8.963 1.00 0.00 C ATOM 1045 CG ARG A 65 3.124 -3.822 7.802 1.00 0.00 C ATOM 1046 CD ARG A 65 2.812 -5.293 7.584 1.00 0.00 C ATOM 1047 NE ARG A 65 3.989 -6.044 7.155 1.00 0.00 N ATOM 1048 CZ ARG A 65 4.468 -7.100 7.806 1.00 0.00 C ATOM 1049 NH1 ARG A 65 3.870 -7.532 8.908 1.00 0.00 N ATOM 1050 NH2 ARG A 65 5.547 -7.725 7.354 1.00 0.00 N ATOM 0 H ARG A 65 0.859 -1.848 10.397 1.00 0.00 H new ATOM 0 HA ARG A 65 3.602 -1.646 9.585 1.00 0.00 H new ATOM 0 HB2 ARG A 65 2.571 -3.807 9.868 1.00 0.00 H new ATOM 0 HB3 ARG A 65 1.265 -3.399 8.772 1.00 0.00 H new ATOM 0 HG2 ARG A 65 2.898 -3.263 6.894 1.00 0.00 H new ATOM 0 HG3 ARG A 65 4.190 -3.700 7.995 1.00 0.00 H new ATOM 0 HD2 ARG A 65 2.425 -5.722 8.508 1.00 0.00 H new ATOM 0 HD3 ARG A 65 2.027 -5.390 6.834 1.00 0.00 H new ATOM 0 HE ARG A 65 4.471 -5.741 6.308 1.00 0.00 H new ATOM 0 HH11 ARG A 65 3.040 -7.054 9.259 1.00 0.00 H new ATOM 0 HH12 ARG A 65 4.240 -8.342 9.405 1.00 0.00 H new ATOM 0 HH21 ARG A 65 6.010 -7.396 6.507 1.00 0.00 H new ATOM 0 HH22 ARG A 65 5.914 -8.535 7.854 1.00 0.00 H new ATOM 1064 N PHE A 66 1.300 -0.309 7.764 1.00 0.00 N ATOM 1065 CA PHE A 66 1.033 0.479 6.573 1.00 0.00 C ATOM 1066 C PHE A 66 1.580 1.888 6.738 1.00 0.00 C ATOM 1067 O PHE A 66 2.226 2.414 5.835 1.00 0.00 O ATOM 1068 CB PHE A 66 -0.460 0.521 6.258 1.00 0.00 C ATOM 1069 CG PHE A 66 -0.740 0.425 4.787 1.00 0.00 C ATOM 1070 CD1 PHE A 66 -0.797 -0.809 4.161 1.00 0.00 C ATOM 1071 CD2 PHE A 66 -0.929 1.568 4.028 1.00 0.00 C ATOM 1072 CE1 PHE A 66 -1.040 -0.901 2.805 1.00 0.00 C ATOM 1073 CE2 PHE A 66 -1.174 1.481 2.672 1.00 0.00 C ATOM 1074 CZ PHE A 66 -1.229 0.245 2.060 1.00 0.00 C ATOM 0 H PHE A 66 0.549 -0.300 8.454 1.00 0.00 H new ATOM 0 HA PHE A 66 1.538 0.000 5.734 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -0.960 -0.299 6.774 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -0.884 1.447 6.646 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -0.650 -1.709 4.740 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -0.884 2.537 4.502 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -1.082 -1.869 2.328 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -1.322 2.379 2.091 1.00 0.00 H new ATOM 0 HZ PHE A 66 -1.420 0.175 0.999 1.00 0.00 H new ATOM 1084 N ASN A 67 1.321 2.503 7.893 1.00 0.00 N ATOM 1085 CA ASN A 67 1.834 3.840 8.149 1.00 0.00 C ATOM 1086 C ASN A 67 3.351 3.775 8.215 1.00 0.00 C ATOM 1087 O ASN A 67 4.044 4.785 8.089 1.00 0.00 O ATOM 1088 CB ASN A 67 1.266 4.438 9.444 1.00 0.00 C ATOM 1089 CG ASN A 67 0.936 3.406 10.490 1.00 0.00 C ATOM 1090 OD1 ASN A 67 1.824 2.922 11.190 1.00 0.00 O ATOM 1091 ND2 ASN A 67 -0.345 3.085 10.621 1.00 0.00 N ATOM 0 H ASN A 67 0.769 2.102 8.651 1.00 0.00 H new ATOM 0 HA ASN A 67 1.519 4.494 7.336 1.00 0.00 H new ATOM 0 HB2 ASN A 67 1.988 5.143 9.856 1.00 0.00 H new ATOM 0 HB3 ASN A 67 0.366 5.005 9.208 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -0.631 2.408 11.328 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -1.043 3.516 10.015 1.00 0.00 H new ATOM 1098 N ASN A 68 3.853 2.557 8.414 1.00 0.00 N ATOM 1099 CA ASN A 68 5.290 2.327 8.476 1.00 0.00 C ATOM 1100 C ASN A 68 5.871 2.331 7.066 1.00 0.00 C ATOM 1101 O ASN A 68 6.763 3.121 6.749 1.00 0.00 O ATOM 1102 CB ASN A 68 5.594 0.996 9.166 1.00 0.00 C ATOM 1103 CG ASN A 68 6.127 1.182 10.573 1.00 0.00 C ATOM 1104 OD1 ASN A 68 5.404 1.616 11.470 1.00 0.00 O ATOM 1105 ND2 ASN A 68 7.399 0.856 10.773 1.00 0.00 N ATOM 0 H ASN A 68 3.285 1.718 8.534 1.00 0.00 H new ATOM 0 HA ASN A 68 5.749 3.127 9.058 1.00 0.00 H new ATOM 0 HB2 ASN A 68 4.687 0.393 9.201 1.00 0.00 H new ATOM 0 HB3 ASN A 68 6.323 0.442 8.575 1.00 0.00 H new ATOM 0 HD21 ASN A 68 7.813 0.962 11.699 1.00 0.00 H new ATOM 0 HD22 ASN A 68 7.962 0.500 10.000 1.00 0.00 H new ATOM 1112 N PHE A 69 5.358 1.437 6.225 1.00 0.00 N ATOM 1113 CA PHE A 69 5.806 1.343 4.837 1.00 0.00 C ATOM 1114 C PHE A 69 5.498 2.631 4.075 1.00 0.00 C ATOM 1115 O PHE A 69 6.248 3.032 3.186 1.00 0.00 O ATOM 1116 CB PHE A 69 5.138 0.155 4.143 1.00 0.00 C ATOM 1117 CG PHE A 69 5.920 -0.378 2.976 1.00 0.00 C ATOM 1118 CD1 PHE A 69 6.916 -1.320 3.165 1.00 0.00 C ATOM 1119 CD2 PHE A 69 5.656 0.065 1.689 1.00 0.00 C ATOM 1120 CE1 PHE A 69 7.637 -1.813 2.093 1.00 0.00 C ATOM 1121 CE2 PHE A 69 6.373 -0.423 0.613 1.00 0.00 C ATOM 1122 CZ PHE A 69 7.365 -1.362 0.816 1.00 0.00 C ATOM 0 H PHE A 69 4.632 0.767 6.479 1.00 0.00 H new ATOM 0 HA PHE A 69 6.886 1.194 4.840 1.00 0.00 H new ATOM 0 HB2 PHE A 69 4.994 -0.645 4.869 1.00 0.00 H new ATOM 0 HB3 PHE A 69 4.148 0.455 3.799 1.00 0.00 H new ATOM 0 HD1 PHE A 69 7.133 -1.674 4.162 1.00 0.00 H new ATOM 0 HD2 PHE A 69 4.881 0.800 1.526 1.00 0.00 H new ATOM 0 HE1 PHE A 69 8.411 -2.549 2.254 1.00 0.00 H new ATOM 0 HE2 PHE A 69 6.158 -0.071 -0.385 1.00 0.00 H new ATOM 0 HZ PHE A 69 7.928 -1.744 -0.023 1.00 0.00 H new ATOM 1132 N LEU A 70 4.388 3.269 4.433 1.00 0.00 N ATOM 1133 CA LEU A 70 3.983 4.516 3.790 1.00 0.00 C ATOM 1134 C LEU A 70 4.996 5.614 4.091 1.00 0.00 C ATOM 1135 O LEU A 70 5.436 6.333 3.192 1.00 0.00 O ATOM 1136 CB LEU A 70 2.588 4.951 4.260 1.00 0.00 C ATOM 1137 CG LEU A 70 1.402 4.255 3.577 1.00 0.00 C ATOM 1138 CD1 LEU A 70 0.104 4.974 3.912 1.00 0.00 C ATOM 1139 CD2 LEU A 70 1.592 4.192 2.067 1.00 0.00 C ATOM 0 H LEU A 70 3.754 2.945 5.163 1.00 0.00 H new ATOM 0 HA LEU A 70 3.945 4.345 2.714 1.00 0.00 H new ATOM 0 HB2 LEU A 70 2.517 4.777 5.334 1.00 0.00 H new ATOM 0 HB3 LEU A 70 2.492 6.026 4.104 1.00 0.00 H new ATOM 0 HG LEU A 70 1.351 3.233 3.954 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -0.728 4.470 3.421 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -0.050 4.963 4.991 1.00 0.00 H new ATOM 0 HD13 LEU A 70 0.159 6.006 3.564 1.00 0.00 H new ATOM 0 HD21 LEU A 70 0.736 3.694 1.613 1.00 0.00 H new ATOM 0 HD22 LEU A 70 1.677 5.203 1.668 1.00 0.00 H new ATOM 0 HD23 LEU A 70 2.500 3.634 1.837 1.00 0.00 H new ATOM 1151 N LYS A 71 5.357 5.739 5.366 1.00 0.00 N ATOM 1152 CA LYS A 71 6.329 6.738 5.790 1.00 0.00 C ATOM 1153 C LYS A 71 7.619 6.599 4.991 1.00 0.00 C ATOM 1154 O LYS A 71 8.189 7.591 4.533 1.00 0.00 O ATOM 1155 CB LYS A 71 6.622 6.593 7.285 1.00 0.00 C ATOM 1156 CG LYS A 71 5.847 7.568 8.155 1.00 0.00 C ATOM 1157 CD LYS A 71 6.266 7.466 9.613 1.00 0.00 C ATOM 1158 CE LYS A 71 5.298 8.203 10.524 1.00 0.00 C ATOM 1159 NZ LYS A 71 5.746 9.597 10.798 1.00 0.00 N ATOM 0 H LYS A 71 4.990 5.160 6.122 1.00 0.00 H new ATOM 0 HA LYS A 71 5.908 7.727 5.607 1.00 0.00 H new ATOM 0 HB2 LYS A 71 6.386 5.575 7.596 1.00 0.00 H new ATOM 0 HB3 LYS A 71 7.689 6.738 7.453 1.00 0.00 H new ATOM 0 HG2 LYS A 71 6.010 8.585 7.798 1.00 0.00 H new ATOM 0 HG3 LYS A 71 4.779 7.367 8.067 1.00 0.00 H new ATOM 0 HD2 LYS A 71 6.316 6.417 9.906 1.00 0.00 H new ATOM 0 HD3 LYS A 71 7.267 7.879 9.735 1.00 0.00 H new ATOM 0 HE2 LYS A 71 4.310 8.223 10.064 1.00 0.00 H new ATOM 0 HE3 LYS A 71 5.201 7.661 11.465 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 5.059 10.066 11.423 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 6.678 9.578 11.260 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 5.814 10.122 9.903 1.00 0.00 H new ATOM 1173 N ALA A 72 8.075 5.359 4.830 1.00 0.00 N ATOM 1174 CA ALA A 72 9.294 5.088 4.077 1.00 0.00 C ATOM 1175 C ALA A 72 9.093 5.391 2.598 1.00 0.00 C ATOM 1176 O ALA A 72 9.946 6.009 1.959 1.00 0.00 O ATOM 1177 CB ALA A 72 9.721 3.641 4.270 1.00 0.00 C ATOM 0 H ALA A 72 7.619 4.529 5.210 1.00 0.00 H new ATOM 0 HA ALA A 72 10.083 5.739 4.453 1.00 0.00 H new ATOM 0 HB1 ALA A 72 10.632 3.452 3.703 1.00 0.00 H new ATOM 0 HB2 ALA A 72 9.907 3.454 5.328 1.00 0.00 H new ATOM 0 HB3 ALA A 72 8.930 2.978 3.918 1.00 0.00 H new ATOM 1183 N LEU A 73 7.960 4.946 2.059 1.00 0.00 N ATOM 1184 CA LEU A 73 7.633 5.172 0.655 1.00 0.00 C ATOM 1185 C LEU A 73 7.776 6.648 0.308 1.00 0.00 C ATOM 1186 O LEU A 73 8.262 7.000 -0.765 1.00 0.00 O ATOM 1187 CB LEU A 73 6.208 4.699 0.359 1.00 0.00 C ATOM 1188 CG LEU A 73 5.880 4.521 -1.125 1.00 0.00 C ATOM 1189 CD1 LEU A 73 6.131 3.084 -1.557 1.00 0.00 C ATOM 1190 CD2 LEU A 73 4.439 4.920 -1.403 1.00 0.00 C ATOM 0 H LEU A 73 7.252 4.425 2.576 1.00 0.00 H new ATOM 0 HA LEU A 73 8.328 4.599 0.042 1.00 0.00 H new ATOM 0 HB2 LEU A 73 6.043 3.749 0.868 1.00 0.00 H new ATOM 0 HB3 LEU A 73 5.507 5.416 0.787 1.00 0.00 H new ATOM 0 HG LEU A 73 6.534 5.173 -1.704 1.00 0.00 H new ATOM 0 HD11 LEU A 73 5.893 2.975 -2.615 1.00 0.00 H new ATOM 0 HD12 LEU A 73 7.179 2.833 -1.393 1.00 0.00 H new ATOM 0 HD13 LEU A 73 5.502 2.413 -0.972 1.00 0.00 H new ATOM 0 HD21 LEU A 73 4.223 4.787 -2.463 1.00 0.00 H new ATOM 0 HD22 LEU A 73 3.768 4.294 -0.815 1.00 0.00 H new ATOM 0 HD23 LEU A 73 4.292 5.965 -1.131 1.00 0.00 H new ATOM 1202 N GLN A 74 7.334 7.505 1.222 1.00 0.00 N ATOM 1203 CA GLN A 74 7.430 8.946 1.028 1.00 0.00 C ATOM 1204 C GLN A 74 8.892 9.374 0.988 1.00 0.00 C ATOM 1205 O GLN A 74 9.322 10.092 0.082 1.00 0.00 O ATOM 1206 CB GLN A 74 6.699 9.685 2.150 1.00 0.00 C ATOM 1207 CG GLN A 74 6.281 11.097 1.778 1.00 0.00 C ATOM 1208 CD GLN A 74 6.729 12.125 2.798 1.00 0.00 C ATOM 1209 OE1 GLN A 74 6.045 12.370 3.792 1.00 0.00 O ATOM 1210 NE2 GLN A 74 7.885 12.734 2.557 1.00 0.00 N ATOM 0 H GLN A 74 6.906 7.226 2.105 1.00 0.00 H new ATOM 0 HA GLN A 74 6.960 9.200 0.078 1.00 0.00 H new ATOM 0 HB2 GLN A 74 5.813 9.115 2.432 1.00 0.00 H new ATOM 0 HB3 GLN A 74 7.344 9.726 3.027 1.00 0.00 H new ATOM 0 HG2 GLN A 74 6.699 11.351 0.804 1.00 0.00 H new ATOM 0 HG3 GLN A 74 5.196 11.137 1.680 1.00 0.00 H new ATOM 0 HE21 GLN A 74 8.420 12.500 1.721 1.00 0.00 H new ATOM 0 HE22 GLN A 74 8.238 13.435 3.208 1.00 0.00 H new ATOM 1219 N GLU A 75 9.649 8.934 1.984 1.00 0.00 N ATOM 1220 CA GLU A 75 11.069 9.261 2.064 1.00 0.00 C ATOM 1221 C GLU A 75 11.829 8.695 0.867 1.00 0.00 C ATOM 1222 O GLU A 75 12.883 9.209 0.492 1.00 0.00 O ATOM 1223 CB GLU A 75 11.665 8.718 3.364 1.00 0.00 C ATOM 1224 CG GLU A 75 11.812 9.769 4.452 1.00 0.00 C ATOM 1225 CD GLU A 75 12.476 9.224 5.702 1.00 0.00 C ATOM 1226 OE1 GLU A 75 11.817 8.462 6.440 1.00 0.00 O ATOM 1227 OE2 GLU A 75 13.654 9.558 5.942 1.00 0.00 O ATOM 0 H GLU A 75 9.306 8.351 2.747 1.00 0.00 H new ATOM 0 HA GLU A 75 11.167 10.347 2.051 1.00 0.00 H new ATOM 0 HB2 GLU A 75 11.033 7.910 3.734 1.00 0.00 H new ATOM 0 HB3 GLU A 75 12.643 8.286 3.153 1.00 0.00 H new ATOM 0 HG2 GLU A 75 12.398 10.604 4.069 1.00 0.00 H new ATOM 0 HG3 GLU A 75 10.828 10.161 4.709 1.00 0.00 H new ATOM 1234 N LYS A 76 11.283 7.640 0.268 1.00 0.00 N ATOM 1235 CA LYS A 76 11.913 6.995 -0.879 1.00 0.00 C ATOM 1236 C LYS A 76 11.584 7.735 -2.167 1.00 0.00 C ATOM 1237 O LYS A 76 12.477 8.097 -2.936 1.00 0.00 O ATOM 1238 CB LYS A 76 11.457 5.537 -0.985 1.00 0.00 C ATOM 1239 CG LYS A 76 12.413 4.553 -0.331 1.00 0.00 C ATOM 1240 CD LYS A 76 11.948 3.118 -0.521 1.00 0.00 C ATOM 1241 CE LYS A 76 12.752 2.155 0.339 1.00 0.00 C ATOM 1242 NZ LYS A 76 12.210 0.770 0.274 1.00 0.00 N ATOM 0 H LYS A 76 10.404 7.213 0.559 1.00 0.00 H new ATOM 0 HA LYS A 76 12.993 7.022 -0.731 1.00 0.00 H new ATOM 0 HB2 LYS A 76 10.474 5.438 -0.524 1.00 0.00 H new ATOM 0 HB3 LYS A 76 11.343 5.276 -2.037 1.00 0.00 H new ATOM 0 HG2 LYS A 76 13.409 4.674 -0.757 1.00 0.00 H new ATOM 0 HG3 LYS A 76 12.492 4.773 0.734 1.00 0.00 H new ATOM 0 HD2 LYS A 76 10.891 3.040 -0.266 1.00 0.00 H new ATOM 0 HD3 LYS A 76 12.045 2.839 -1.570 1.00 0.00 H new ATOM 0 HE2 LYS A 76 13.791 2.154 0.009 1.00 0.00 H new ATOM 0 HE3 LYS A 76 12.746 2.499 1.373 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 12.785 0.144 0.873 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 11.227 0.766 0.612 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 12.239 0.431 -0.709 1.00 0.00 H new ATOM 1256 N VAL A 77 10.292 7.955 -2.393 1.00 0.00 N ATOM 1257 CA VAL A 77 9.834 8.652 -3.583 1.00 0.00 C ATOM 1258 C VAL A 77 10.530 9.999 -3.713 1.00 0.00 C ATOM 1259 O VAL A 77 10.764 10.483 -4.822 1.00 0.00 O ATOM 1260 CB VAL A 77 8.307 8.853 -3.573 1.00 0.00 C ATOM 1261 CG1 VAL A 77 7.877 9.699 -2.386 1.00 0.00 C ATOM 1262 CG2 VAL A 77 7.845 9.482 -4.874 1.00 0.00 C ATOM 0 H VAL A 77 9.545 7.659 -1.764 1.00 0.00 H new ATOM 0 HA VAL A 77 10.088 8.030 -4.441 1.00 0.00 H new ATOM 0 HB VAL A 77 7.837 7.874 -3.476 1.00 0.00 H new ATOM 0 HG11 VAL A 77 6.795 9.826 -2.403 1.00 0.00 H new ATOM 0 HG12 VAL A 77 8.170 9.203 -1.461 1.00 0.00 H new ATOM 0 HG13 VAL A 77 8.358 10.676 -2.442 1.00 0.00 H new ATOM 0 HG21 VAL A 77 6.764 9.617 -4.849 1.00 0.00 H new ATOM 0 HG22 VAL A 77 8.328 10.451 -5.002 1.00 0.00 H new ATOM 0 HG23 VAL A 77 8.111 8.831 -5.707 1.00 0.00 H new ATOM 1272 N GLU A 78 10.861 10.605 -2.575 1.00 0.00 N ATOM 1273 CA GLU A 78 11.557 11.884 -2.576 1.00 0.00 C ATOM 1274 C GLU A 78 12.932 11.703 -3.202 1.00 0.00 C ATOM 1275 O GLU A 78 13.383 12.529 -3.995 1.00 0.00 O ATOM 1276 CB GLU A 78 11.690 12.425 -1.151 1.00 0.00 C ATOM 1277 CG GLU A 78 10.632 13.453 -0.789 1.00 0.00 C ATOM 1278 CD GLU A 78 10.942 14.178 0.505 1.00 0.00 C ATOM 1279 OE1 GLU A 78 10.660 13.615 1.584 1.00 0.00 O ATOM 1280 OE2 GLU A 78 11.466 15.310 0.442 1.00 0.00 O ATOM 0 H GLU A 78 10.659 10.232 -1.647 1.00 0.00 H new ATOM 0 HA GLU A 78 10.983 12.605 -3.159 1.00 0.00 H new ATOM 0 HB2 GLU A 78 11.632 11.593 -0.449 1.00 0.00 H new ATOM 0 HB3 GLU A 78 12.676 12.874 -1.032 1.00 0.00 H new ATOM 0 HG2 GLU A 78 10.546 14.180 -1.597 1.00 0.00 H new ATOM 0 HG3 GLU A 78 9.665 12.958 -0.701 1.00 0.00 H new ATOM 1287 N ILE A 79 13.590 10.607 -2.830 1.00 0.00 N ATOM 1288 CA ILE A 79 14.910 10.284 -3.372 1.00 0.00 C ATOM 1289 C ILE A 79 14.850 10.150 -4.894 1.00 0.00 C ATOM 1290 O ILE A 79 15.877 9.994 -5.555 1.00 0.00 O ATOM 1291 CB ILE A 79 15.469 8.976 -2.771 1.00 0.00 C ATOM 1292 CG1 ILE A 79 15.348 8.993 -1.245 1.00 0.00 C ATOM 1293 CG2 ILE A 79 16.917 8.768 -3.190 1.00 0.00 C ATOM 1294 CD1 ILE A 79 16.120 10.114 -0.581 1.00 0.00 C ATOM 0 H ILE A 79 13.233 9.929 -2.157 1.00 0.00 H new ATOM 0 HA ILE A 79 15.575 11.104 -3.101 1.00 0.00 H new ATOM 0 HB ILE A 79 14.880 8.143 -3.155 1.00 0.00 H new ATOM 0 HG12 ILE A 79 14.296 9.080 -0.975 1.00 0.00 H new ATOM 0 HG13 ILE A 79 15.700 8.040 -0.852 1.00 0.00 H new ATOM 0 HG21 ILE A 79 17.292 7.841 -2.756 1.00 0.00 H new ATOM 0 HG22 ILE A 79 16.977 8.710 -4.277 1.00 0.00 H new ATOM 0 HG23 ILE A 79 17.521 9.604 -2.838 1.00 0.00 H new ATOM 0 HD11 ILE A 79 15.985 10.059 0.499 1.00 0.00 H new ATOM 0 HD12 ILE A 79 17.179 10.017 -0.819 1.00 0.00 H new ATOM 0 HD13 ILE A 79 15.753 11.074 -0.944 1.00 0.00 H new ATOM 1306 N LYS A 80 13.631 10.210 -5.433 1.00 0.00 N ATOM 1307 CA LYS A 80 13.397 10.104 -6.870 1.00 0.00 C ATOM 1308 C LYS A 80 13.511 8.655 -7.339 1.00 0.00 C ATOM 1309 O LYS A 80 14.574 8.038 -7.262 1.00 0.00 O ATOM 1310 CB LYS A 80 14.345 11.038 -7.636 1.00 0.00 C ATOM 1311 CG LYS A 80 15.375 10.337 -8.513 1.00 0.00 C ATOM 1312 CD LYS A 80 16.027 11.304 -9.487 1.00 0.00 C ATOM 1313 CE LYS A 80 17.454 11.631 -9.074 1.00 0.00 C ATOM 1314 NZ LYS A 80 17.932 12.902 -9.685 1.00 0.00 N ATOM 0 H LYS A 80 12.780 10.333 -4.884 1.00 0.00 H new ATOM 0 HA LYS A 80 12.377 10.424 -7.084 1.00 0.00 H new ATOM 0 HB2 LYS A 80 13.749 11.701 -8.263 1.00 0.00 H new ATOM 0 HB3 LYS A 80 14.871 11.666 -6.917 1.00 0.00 H new ATOM 0 HG2 LYS A 80 16.140 9.881 -7.884 1.00 0.00 H new ATOM 0 HG3 LYS A 80 14.895 9.530 -9.066 1.00 0.00 H new ATOM 0 HD2 LYS A 80 16.026 10.871 -10.487 1.00 0.00 H new ATOM 0 HD3 LYS A 80 15.442 12.222 -9.537 1.00 0.00 H new ATOM 0 HE2 LYS A 80 17.509 11.707 -7.988 1.00 0.00 H new ATOM 0 HE3 LYS A 80 18.114 10.815 -9.370 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 18.908 13.089 -9.379 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 17.904 12.821 -10.721 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 17.318 13.685 -9.382 1.00 0.00 H new ATOM 1328 N GLN A 81 12.382 8.117 -7.801 1.00 0.00 N ATOM 1329 CA GLN A 81 12.313 6.742 -8.287 1.00 0.00 C ATOM 1330 C GLN A 81 10.884 6.377 -8.679 1.00 0.00 C ATOM 1331 O GLN A 81 10.658 5.703 -9.685 1.00 0.00 O ATOM 1332 CB GLN A 81 12.815 5.768 -7.220 1.00 0.00 C ATOM 1333 CG GLN A 81 14.110 5.070 -7.598 1.00 0.00 C ATOM 1334 CD GLN A 81 14.645 4.190 -6.486 1.00 0.00 C ATOM 1335 OE1 GLN A 81 14.622 2.963 -6.585 1.00 0.00 O ATOM 1336 NE2 GLN A 81 15.131 4.814 -5.418 1.00 0.00 N ATOM 0 H GLN A 81 11.496 8.620 -7.848 1.00 0.00 H new ATOM 0 HA GLN A 81 12.951 6.667 -9.167 1.00 0.00 H new ATOM 0 HB2 GLN A 81 12.963 6.310 -6.286 1.00 0.00 H new ATOM 0 HB3 GLN A 81 12.047 5.017 -7.035 1.00 0.00 H new ATOM 0 HG2 GLN A 81 13.945 4.463 -8.488 1.00 0.00 H new ATOM 0 HG3 GLN A 81 14.859 5.818 -7.856 1.00 0.00 H new ATOM 0 HE21 GLN A 81 15.130 5.833 -5.379 1.00 0.00 H new ATOM 0 HE22 GLN A 81 15.505 4.274 -4.638 1.00 0.00 H new ATOM 1345 N LEU A 82 9.922 6.829 -7.878 1.00 0.00 N ATOM 1346 CA LEU A 82 8.515 6.544 -8.137 1.00 0.00 C ATOM 1347 C LEU A 82 7.678 7.821 -8.119 1.00 0.00 C ATOM 1348 O LEU A 82 6.608 7.863 -7.511 1.00 0.00 O ATOM 1349 CB LEU A 82 7.978 5.553 -7.101 1.00 0.00 C ATOM 1350 CG LEU A 82 8.201 5.956 -5.643 1.00 0.00 C ATOM 1351 CD1 LEU A 82 6.919 5.789 -4.842 1.00 0.00 C ATOM 1352 CD2 LEU A 82 9.326 5.135 -5.031 1.00 0.00 C ATOM 0 H LEU A 82 10.092 7.393 -7.045 1.00 0.00 H new ATOM 0 HA LEU A 82 8.440 6.103 -9.131 1.00 0.00 H new ATOM 0 HB2 LEU A 82 6.909 5.422 -7.266 1.00 0.00 H new ATOM 0 HB3 LEU A 82 8.448 4.584 -7.270 1.00 0.00 H new ATOM 0 HG LEU A 82 8.488 7.007 -5.615 1.00 0.00 H new ATOM 0 HD11 LEU A 82 7.096 6.080 -3.807 1.00 0.00 H new ATOM 0 HD12 LEU A 82 6.139 6.420 -5.268 1.00 0.00 H new ATOM 0 HD13 LEU A 82 6.602 4.747 -4.876 1.00 0.00 H new ATOM 0 HD21 LEU A 82 9.472 5.434 -3.993 1.00 0.00 H new ATOM 0 HD22 LEU A 82 9.067 4.077 -5.071 1.00 0.00 H new ATOM 0 HD23 LEU A 82 10.246 5.305 -5.590 1.00 0.00 H new ATOM 1364 N ASN A 83 8.172 8.859 -8.787 1.00 0.00 N ATOM 1365 CA ASN A 83 7.465 10.135 -8.847 1.00 0.00 C ATOM 1366 C ASN A 83 6.083 9.962 -9.470 1.00 0.00 C ATOM 1367 O ASN A 83 5.158 10.723 -9.178 1.00 0.00 O ATOM 1368 CB ASN A 83 8.275 11.153 -9.651 1.00 0.00 C ATOM 1369 CG ASN A 83 7.810 12.576 -9.418 1.00 0.00 C ATOM 1370 OD1 ASN A 83 7.806 13.064 -8.287 1.00 0.00 O ATOM 1371 ND2 ASN A 83 7.414 13.253 -10.490 1.00 0.00 N ATOM 0 H ASN A 83 9.057 8.842 -9.294 1.00 0.00 H new ATOM 0 HA ASN A 83 7.342 10.502 -7.828 1.00 0.00 H new ATOM 0 HB2 ASN A 83 9.328 11.069 -9.382 1.00 0.00 H new ATOM 0 HB3 ASN A 83 8.198 10.918 -10.712 1.00 0.00 H new ATOM 0 HD21 ASN A 83 7.090 14.216 -10.394 1.00 0.00 H new ATOM 0 HD22 ASN A 83 7.434 12.810 -11.409 1.00 0.00 H new ATOM 1378 N HIS A 84 5.949 8.956 -10.328 1.00 0.00 N ATOM 1379 CA HIS A 84 4.678 8.680 -10.991 1.00 0.00 C ATOM 1380 C HIS A 84 3.731 7.933 -10.057 1.00 0.00 C ATOM 1381 O HIS A 84 2.524 8.184 -10.052 1.00 0.00 O ATOM 1382 CB HIS A 84 4.900 7.868 -12.271 1.00 0.00 C ATOM 1383 CG HIS A 84 6.063 6.929 -12.197 1.00 0.00 C ATOM 1384 ND1 HIS A 84 6.185 5.955 -11.228 1.00 0.00 N ATOM 1385 CD2 HIS A 84 7.163 6.818 -12.979 1.00 0.00 C ATOM 1386 CE1 HIS A 84 7.310 5.287 -11.416 1.00 0.00 C ATOM 1387 NE2 HIS A 84 7.921 5.790 -12.473 1.00 0.00 N ATOM 0 H HIS A 84 6.704 8.318 -10.581 1.00 0.00 H new ATOM 0 HA HIS A 84 4.224 9.635 -11.256 1.00 0.00 H new ATOM 0 HB2 HIS A 84 3.997 7.297 -12.489 1.00 0.00 H new ATOM 0 HB3 HIS A 84 5.052 8.555 -13.104 1.00 0.00 H new ATOM 0 HD2 HIS A 84 7.400 7.425 -13.840 1.00 0.00 H new ATOM 0 HE1 HIS A 84 7.668 4.469 -10.809 1.00 0.00 H new ATOM 0 HE2 HIS A 84 8.811 5.468 -12.852 1.00 0.00 H new ATOM 1396 N PHE A 85 4.285 7.015 -9.268 1.00 0.00 N ATOM 1397 CA PHE A 85 3.487 6.237 -8.327 1.00 0.00 C ATOM 1398 C PHE A 85 2.816 7.148 -7.306 1.00 0.00 C ATOM 1399 O PHE A 85 1.788 6.797 -6.726 1.00 0.00 O ATOM 1400 CB PHE A 85 4.353 5.198 -7.613 1.00 0.00 C ATOM 1401 CG PHE A 85 3.555 4.102 -6.966 1.00 0.00 C ATOM 1402 CD1 PHE A 85 2.951 3.119 -7.735 1.00 0.00 C ATOM 1403 CD2 PHE A 85 3.405 4.054 -5.589 1.00 0.00 C ATOM 1404 CE1 PHE A 85 2.213 2.112 -7.143 1.00 0.00 C ATOM 1405 CE2 PHE A 85 2.669 3.049 -4.991 1.00 0.00 C ATOM 1406 CZ PHE A 85 2.072 2.077 -5.769 1.00 0.00 C ATOM 0 H PHE A 85 5.281 6.793 -9.262 1.00 0.00 H new ATOM 0 HA PHE A 85 2.713 5.718 -8.892 1.00 0.00 H new ATOM 0 HB2 PHE A 85 5.046 4.758 -8.330 1.00 0.00 H new ATOM 0 HB3 PHE A 85 4.955 5.697 -6.853 1.00 0.00 H new ATOM 0 HD1 PHE A 85 3.059 3.141 -8.809 1.00 0.00 H new ATOM 0 HD2 PHE A 85 3.869 4.812 -4.975 1.00 0.00 H new ATOM 0 HE1 PHE A 85 1.747 1.353 -7.754 1.00 0.00 H new ATOM 0 HE2 PHE A 85 2.561 3.024 -3.917 1.00 0.00 H new ATOM 0 HZ PHE A 85 1.496 1.291 -5.304 1.00 0.00 H new ATOM 1416 N TRP A 86 3.407 8.321 -7.091 1.00 0.00 N ATOM 1417 CA TRP A 86 2.862 9.289 -6.152 1.00 0.00 C ATOM 1418 C TRP A 86 1.835 10.175 -6.842 1.00 0.00 C ATOM 1419 O TRP A 86 0.732 10.372 -6.335 1.00 0.00 O ATOM 1420 CB TRP A 86 3.984 10.142 -5.562 1.00 0.00 C ATOM 1421 CG TRP A 86 3.561 10.919 -4.356 1.00 0.00 C ATOM 1422 CD1 TRP A 86 3.345 12.262 -4.286 1.00 0.00 C ATOM 1423 CD2 TRP A 86 3.302 10.399 -3.047 1.00 0.00 C ATOM 1424 NE1 TRP A 86 2.967 12.614 -3.012 1.00 0.00 N ATOM 1425 CE2 TRP A 86 2.934 11.487 -2.233 1.00 0.00 C ATOM 1426 CE3 TRP A 86 3.345 9.120 -2.485 1.00 0.00 C ATOM 1427 CZ2 TRP A 86 2.610 11.332 -0.887 1.00 0.00 C ATOM 1428 CZ3 TRP A 86 3.024 8.969 -1.149 1.00 0.00 C ATOM 1429 CH2 TRP A 86 2.660 10.070 -0.364 1.00 0.00 C ATOM 0 H TRP A 86 4.264 8.621 -7.556 1.00 0.00 H new ATOM 0 HA TRP A 86 2.369 8.750 -5.343 1.00 0.00 H new ATOM 0 HB2 TRP A 86 4.821 9.496 -5.295 1.00 0.00 H new ATOM 0 HB3 TRP A 86 4.345 10.833 -6.323 1.00 0.00 H new ATOM 0 HD1 TRP A 86 3.455 12.950 -5.111 1.00 0.00 H new ATOM 0 HE1 TRP A 86 2.747 13.559 -2.698 1.00 0.00 H new ATOM 0 HE3 TRP A 86 3.624 8.265 -3.084 1.00 0.00 H new ATOM 0 HZ2 TRP A 86 2.329 12.179 -0.278 1.00 0.00 H new ATOM 0 HZ3 TRP A 86 3.054 7.986 -0.703 1.00 0.00 H new ATOM 0 HH2 TRP A 86 2.414 9.919 0.677 1.00 0.00 H new ATOM 1440 N GLU A 87 2.204 10.702 -8.006 1.00 0.00 N ATOM 1441 CA GLU A 87 1.310 11.562 -8.772 1.00 0.00 C ATOM 1442 C GLU A 87 0.030 10.815 -9.131 1.00 0.00 C ATOM 1443 O GLU A 87 -1.004 11.427 -9.402 1.00 0.00 O ATOM 1444 CB GLU A 87 2.004 12.051 -10.044 1.00 0.00 C ATOM 1445 CG GLU A 87 2.792 13.337 -9.852 1.00 0.00 C ATOM 1446 CD GLU A 87 3.430 13.827 -11.137 1.00 0.00 C ATOM 1447 OE1 GLU A 87 4.544 13.364 -11.461 1.00 0.00 O ATOM 1448 OE2 GLU A 87 2.816 14.673 -11.821 1.00 0.00 O ATOM 0 H GLU A 87 3.115 10.548 -8.438 1.00 0.00 H new ATOM 0 HA GLU A 87 1.052 12.424 -8.157 1.00 0.00 H new ATOM 0 HB2 GLU A 87 2.677 11.272 -10.403 1.00 0.00 H new ATOM 0 HB3 GLU A 87 1.254 12.207 -10.820 1.00 0.00 H new ATOM 0 HG2 GLU A 87 2.130 14.110 -9.462 1.00 0.00 H new ATOM 0 HG3 GLU A 87 3.568 13.175 -9.104 1.00 0.00 H new ATOM 1455 N ILE A 88 0.108 9.487 -9.128 1.00 0.00 N ATOM 1456 CA ILE A 88 -1.054 8.666 -9.452 1.00 0.00 C ATOM 1457 C ILE A 88 -1.906 8.406 -8.208 1.00 0.00 C ATOM 1458 O ILE A 88 -3.091 8.731 -8.184 1.00 0.00 O ATOM 1459 CB ILE A 88 -0.672 7.328 -10.127 1.00 0.00 C ATOM 1460 CG1 ILE A 88 -1.931 6.532 -10.475 1.00 0.00 C ATOM 1461 CG2 ILE A 88 0.249 6.505 -9.243 1.00 0.00 C ATOM 1462 CD1 ILE A 88 -1.856 5.837 -11.817 1.00 0.00 C ATOM 0 H ILE A 88 0.954 8.961 -8.907 1.00 0.00 H new ATOM 0 HA ILE A 88 -1.640 9.235 -10.173 1.00 0.00 H new ATOM 0 HB ILE A 88 -0.133 7.557 -11.046 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -2.106 5.787 -9.699 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -2.789 7.205 -10.471 1.00 0.00 H new ATOM 0 HG21 ILE A 88 0.498 5.571 -9.747 1.00 0.00 H new ATOM 0 HG22 ILE A 88 1.162 7.066 -9.047 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -0.252 6.286 -8.300 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -2.783 5.292 -11.997 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -1.712 6.578 -12.603 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -1.019 5.139 -11.819 1.00 0.00 H new ATOM 1474 N VAL A 89 -1.299 7.815 -7.179 1.00 0.00 N ATOM 1475 CA VAL A 89 -2.014 7.519 -5.939 1.00 0.00 C ATOM 1476 C VAL A 89 -2.623 8.778 -5.337 1.00 0.00 C ATOM 1477 O VAL A 89 -3.715 8.742 -4.771 1.00 0.00 O ATOM 1478 CB VAL A 89 -1.104 6.854 -4.890 1.00 0.00 C ATOM 1479 CG1 VAL A 89 -0.648 5.486 -5.370 1.00 0.00 C ATOM 1480 CG2 VAL A 89 0.088 7.742 -4.567 1.00 0.00 C ATOM 0 H VAL A 89 -0.319 7.533 -7.180 1.00 0.00 H new ATOM 0 HA VAL A 89 -2.808 6.822 -6.206 1.00 0.00 H new ATOM 0 HB VAL A 89 -1.679 6.719 -3.974 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -0.006 5.031 -4.616 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -1.518 4.851 -5.537 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -0.093 5.594 -6.302 1.00 0.00 H new ATOM 0 HG21 VAL A 89 0.716 7.251 -3.824 1.00 0.00 H new ATOM 0 HG22 VAL A 89 0.667 7.917 -5.473 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -0.265 8.695 -4.172 1.00 0.00 H new ATOM 1490 N VAL A 90 -1.914 9.890 -5.466 1.00 0.00 N ATOM 1491 CA VAL A 90 -2.392 11.156 -4.935 1.00 0.00 C ATOM 1492 C VAL A 90 -3.607 11.629 -5.731 1.00 0.00 C ATOM 1493 O VAL A 90 -4.686 11.828 -5.175 1.00 0.00 O ATOM 1494 CB VAL A 90 -1.272 12.224 -4.956 1.00 0.00 C ATOM 1495 CG1 VAL A 90 -1.790 13.576 -5.417 1.00 0.00 C ATOM 1496 CG2 VAL A 90 -0.625 12.339 -3.584 1.00 0.00 C ATOM 0 H VAL A 90 -1.008 9.940 -5.933 1.00 0.00 H new ATOM 0 HA VAL A 90 -2.689 11.007 -3.897 1.00 0.00 H new ATOM 0 HB VAL A 90 -0.520 11.900 -5.676 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -0.973 14.298 -5.418 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -2.195 13.486 -6.425 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -2.574 13.916 -4.740 1.00 0.00 H new ATOM 0 HG21 VAL A 90 0.161 13.094 -3.614 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -1.377 12.628 -2.850 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -0.194 11.378 -3.303 1.00 0.00 H new ATOM 1506 N GLN A 91 -3.411 11.820 -7.033 1.00 0.00 N ATOM 1507 CA GLN A 91 -4.492 12.243 -7.920 1.00 0.00 C ATOM 1508 C GLN A 91 -5.705 11.325 -7.784 1.00 0.00 C ATOM 1509 O GLN A 91 -6.845 11.763 -7.946 1.00 0.00 O ATOM 1510 CB GLN A 91 -4.011 12.258 -9.372 1.00 0.00 C ATOM 1511 CG GLN A 91 -3.433 13.595 -9.807 1.00 0.00 C ATOM 1512 CD GLN A 91 -2.982 13.592 -11.254 1.00 0.00 C ATOM 1513 OE1 GLN A 91 -1.826 13.886 -11.558 1.00 0.00 O ATOM 1514 NE2 GLN A 91 -3.897 13.259 -12.157 1.00 0.00 N ATOM 0 H GLN A 91 -2.513 11.688 -7.498 1.00 0.00 H new ATOM 0 HA GLN A 91 -4.790 13.251 -7.630 1.00 0.00 H new ATOM 0 HB2 GLN A 91 -3.255 11.484 -9.504 1.00 0.00 H new ATOM 0 HB3 GLN A 91 -4.845 12.002 -10.025 1.00 0.00 H new ATOM 0 HG2 GLN A 91 -4.182 14.374 -9.665 1.00 0.00 H new ATOM 0 HG3 GLN A 91 -2.587 13.846 -9.167 1.00 0.00 H new ATOM 0 HE21 GLN A 91 -4.844 13.022 -11.860 1.00 0.00 H new ATOM 0 HE22 GLN A 91 -3.653 13.240 -13.147 1.00 0.00 H new ATOM 1523 N ASP A 92 -5.455 10.052 -7.486 1.00 0.00 N ATOM 1524 CA ASP A 92 -6.528 9.072 -7.330 1.00 0.00 C ATOM 1525 C ASP A 92 -7.325 9.317 -6.050 1.00 0.00 C ATOM 1526 O ASP A 92 -8.219 8.542 -5.708 1.00 0.00 O ATOM 1527 CB ASP A 92 -5.953 7.653 -7.320 1.00 0.00 C ATOM 1528 CG ASP A 92 -5.896 7.044 -8.706 1.00 0.00 C ATOM 1529 OD1 ASP A 92 -5.119 7.548 -9.544 1.00 0.00 O ATOM 1530 OD2 ASP A 92 -6.626 6.062 -8.954 1.00 0.00 O ATOM 0 H ASP A 92 -4.518 9.674 -7.348 1.00 0.00 H new ATOM 0 HA ASP A 92 -7.204 9.182 -8.178 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -4.950 7.673 -6.893 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -6.562 7.021 -6.673 1.00 0.00 H new ATOM 1535 N GLY A 93 -6.996 10.396 -5.350 1.00 0.00 N ATOM 1536 CA GLY A 93 -7.695 10.729 -4.121 1.00 0.00 C ATOM 1537 C GLY A 93 -7.274 9.871 -2.941 1.00 0.00 C ATOM 1538 O GLY A 93 -7.809 10.022 -1.843 1.00 0.00 O ATOM 0 H GLY A 93 -6.256 11.048 -5.611 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -7.516 11.777 -3.882 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -8.768 10.617 -4.279 1.00 0.00 H new ATOM 1542 N ILE A 94 -6.318 8.970 -3.157 1.00 0.00 N ATOM 1543 CA ILE A 94 -5.844 8.100 -2.086 1.00 0.00 C ATOM 1544 C ILE A 94 -5.105 8.903 -1.021 1.00 0.00 C ATOM 1545 O ILE A 94 -4.272 9.752 -1.338 1.00 0.00 O ATOM 1546 CB ILE A 94 -4.912 6.995 -2.622 1.00 0.00 C ATOM 1547 CG1 ILE A 94 -5.490 6.384 -3.900 1.00 0.00 C ATOM 1548 CG2 ILE A 94 -4.699 5.923 -1.563 1.00 0.00 C ATOM 1549 CD1 ILE A 94 -4.536 5.445 -4.609 1.00 0.00 C ATOM 0 H ILE A 94 -5.860 8.825 -4.057 1.00 0.00 H new ATOM 0 HA ILE A 94 -6.724 7.632 -1.645 1.00 0.00 H new ATOM 0 HB ILE A 94 -3.946 7.439 -2.861 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -6.403 5.842 -3.653 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -5.770 7.187 -4.582 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -4.039 5.150 -1.956 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -4.247 6.371 -0.678 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -5.658 5.480 -1.296 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -5.013 5.050 -5.506 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -3.632 5.987 -4.888 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -4.275 4.621 -3.944 1.00 0.00 H new ATOM 1561 N THR A 95 -5.414 8.633 0.245 1.00 0.00 N ATOM 1562 CA THR A 95 -4.782 9.340 1.352 1.00 0.00 C ATOM 1563 C THR A 95 -4.226 8.374 2.391 1.00 0.00 C ATOM 1564 O THR A 95 -4.630 7.213 2.458 1.00 0.00 O ATOM 1565 CB THR A 95 -5.768 10.304 2.039 1.00 0.00 C ATOM 1566 OG1 THR A 95 -5.172 10.860 3.217 1.00 0.00 O ATOM 1567 CG2 THR A 95 -7.058 9.587 2.407 1.00 0.00 C ATOM 0 H THR A 95 -6.097 7.931 0.528 1.00 0.00 H new ATOM 0 HA THR A 95 -3.959 9.913 0.924 1.00 0.00 H new ATOM 0 HB THR A 95 -6.003 11.106 1.339 1.00 0.00 H new ATOM 0 HG1 THR A 95 -5.805 11.473 3.646 1.00 0.00 H new ATOM 0 HG21 THR A 95 -7.739 10.288 2.891 1.00 0.00 H new ATOM 0 HG22 THR A 95 -7.525 9.192 1.505 1.00 0.00 H new ATOM 0 HG23 THR A 95 -6.836 8.767 3.090 1.00 0.00 H new ATOM 1575 N LEU A 96 -3.293 8.869 3.198 1.00 0.00 N ATOM 1576 CA LEU A 96 -2.662 8.067 4.241 1.00 0.00 C ATOM 1577 C LEU A 96 -3.689 7.518 5.225 1.00 0.00 C ATOM 1578 O LEU A 96 -4.880 7.817 5.138 1.00 0.00 O ATOM 1579 CB LEU A 96 -1.625 8.906 4.994 1.00 0.00 C ATOM 1580 CG LEU A 96 -0.227 8.977 4.362 1.00 0.00 C ATOM 1581 CD1 LEU A 96 0.731 8.043 5.084 1.00 0.00 C ATOM 1582 CD2 LEU A 96 -0.271 8.650 2.874 1.00 0.00 C ATOM 0 H LEU A 96 -2.955 9.830 3.149 1.00 0.00 H new ATOM 0 HA LEU A 96 -2.171 7.223 3.757 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -2.010 9.921 5.091 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -1.526 8.505 6.003 1.00 0.00 H new ATOM 0 HG LEU A 96 0.134 10.000 4.467 1.00 0.00 H new ATOM 0 HD11 LEU A 96 1.717 8.106 4.623 1.00 0.00 H new ATOM 0 HD12 LEU A 96 0.801 8.333 6.132 1.00 0.00 H new ATOM 0 HD13 LEU A 96 0.363 7.019 5.015 1.00 0.00 H new ATOM 0 HD21 LEU A 96 0.735 8.710 2.458 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -0.662 7.642 2.734 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -0.917 9.364 2.364 1.00 0.00 H new ATOM 1594 N ILE A 97 -3.206 6.712 6.164 1.00 0.00 N ATOM 1595 CA ILE A 97 -4.057 6.109 7.179 1.00 0.00 C ATOM 1596 C ILE A 97 -4.513 7.148 8.205 1.00 0.00 C ATOM 1597 O ILE A 97 -3.691 7.798 8.852 1.00 0.00 O ATOM 1598 CB ILE A 97 -3.315 4.955 7.894 1.00 0.00 C ATOM 1599 CG1 ILE A 97 -3.658 3.617 7.234 1.00 0.00 C ATOM 1600 CG2 ILE A 97 -3.643 4.920 9.382 1.00 0.00 C ATOM 1601 CD1 ILE A 97 -3.100 3.471 5.833 1.00 0.00 C ATOM 0 H ILE A 97 -2.221 6.461 6.242 1.00 0.00 H new ATOM 0 HA ILE A 97 -4.939 5.709 6.678 1.00 0.00 H new ATOM 0 HB ILE A 97 -2.244 5.131 7.797 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -3.276 2.807 7.855 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -4.742 3.507 7.198 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -3.105 4.098 9.854 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -3.343 5.861 9.843 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -4.715 4.776 9.515 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -3.383 2.499 5.428 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -3.502 4.260 5.197 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -2.013 3.549 5.864 1.00 0.00 H new ATOM 1613 N THR A 98 -5.828 7.307 8.338 1.00 0.00 N ATOM 1614 CA THR A 98 -6.389 8.261 9.288 1.00 0.00 C ATOM 1615 C THR A 98 -6.883 7.557 10.548 1.00 0.00 C ATOM 1616 O THR A 98 -7.418 6.450 10.485 1.00 0.00 O ATOM 1617 CB THR A 98 -7.551 9.058 8.668 1.00 0.00 C ATOM 1618 OG1 THR A 98 -7.708 8.704 7.288 1.00 0.00 O ATOM 1619 CG2 THR A 98 -7.305 10.554 8.787 1.00 0.00 C ATOM 0 H THR A 98 -6.523 6.788 7.801 1.00 0.00 H new ATOM 0 HA THR A 98 -5.588 8.951 9.551 1.00 0.00 H new ATOM 0 HB THR A 98 -8.462 8.811 9.212 1.00 0.00 H new ATOM 0 HG1 THR A 98 -8.450 9.214 6.902 1.00 0.00 H new ATOM 0 HG21 THR A 98 -8.139 11.096 8.342 1.00 0.00 H new ATOM 0 HG22 THR A 98 -7.215 10.825 9.839 1.00 0.00 H new ATOM 0 HG23 THR A 98 -6.384 10.814 8.265 1.00 0.00 H new ATOM 1627 N LYS A 99 -6.684 8.210 11.692 1.00 0.00 N ATOM 1628 CA LYS A 99 -7.096 7.673 12.989 1.00 0.00 C ATOM 1629 C LYS A 99 -8.448 6.961 12.929 1.00 0.00 C ATOM 1630 O LYS A 99 -8.511 5.740 12.777 1.00 0.00 O ATOM 1631 CB LYS A 99 -7.152 8.797 14.028 1.00 0.00 C ATOM 1632 CG LYS A 99 -7.482 10.160 13.439 1.00 0.00 C ATOM 1633 CD LYS A 99 -7.353 11.261 14.479 1.00 0.00 C ATOM 1634 CE LYS A 99 -8.697 11.906 14.779 1.00 0.00 C ATOM 1635 NZ LYS A 99 -8.676 12.661 16.062 1.00 0.00 N ATOM 0 H LYS A 99 -6.234 9.124 11.747 1.00 0.00 H new ATOM 0 HA LYS A 99 -6.351 6.932 13.278 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -7.899 8.546 14.781 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -6.191 8.855 14.539 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -6.814 10.368 12.603 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -8.497 10.150 13.042 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -6.934 10.849 15.397 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -6.656 12.019 14.123 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -8.966 12.580 13.966 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -9.467 11.136 14.823 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -9.610 13.086 16.230 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -8.444 12.013 16.842 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -7.959 13.412 16.011 1.00 0.00 H new ATOM 1649 N GLU A 100 -9.526 7.731 13.057 1.00 0.00 N ATOM 1650 CA GLU A 100 -10.879 7.179 13.044 1.00 0.00 C ATOM 1651 C GLU A 100 -11.132 6.310 11.812 1.00 0.00 C ATOM 1652 O GLU A 100 -12.042 5.481 11.808 1.00 0.00 O ATOM 1653 CB GLU A 100 -11.904 8.309 13.118 1.00 0.00 C ATOM 1654 CG GLU A 100 -13.348 7.833 13.081 1.00 0.00 C ATOM 1655 CD GLU A 100 -14.312 8.851 13.659 1.00 0.00 C ATOM 1656 OE1 GLU A 100 -14.084 9.302 14.801 1.00 0.00 O ATOM 1657 OE2 GLU A 100 -15.293 9.198 12.969 1.00 0.00 O ATOM 0 H GLU A 100 -9.488 8.744 13.171 1.00 0.00 H new ATOM 0 HA GLU A 100 -10.983 6.537 13.919 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -11.741 8.875 14.035 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -11.736 8.994 12.287 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -13.629 7.616 12.050 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -13.434 6.900 13.638 1.00 0.00 H new ATOM 1664 N GLU A 101 -10.328 6.499 10.769 1.00 0.00 N ATOM 1665 CA GLU A 101 -10.476 5.715 9.543 1.00 0.00 C ATOM 1666 C GLU A 101 -10.104 4.249 9.775 1.00 0.00 C ATOM 1667 O GLU A 101 -9.899 3.495 8.824 1.00 0.00 O ATOM 1668 CB GLU A 101 -9.609 6.303 8.430 1.00 0.00 C ATOM 1669 CG GLU A 101 -10.153 6.045 7.034 1.00 0.00 C ATOM 1670 CD GLU A 101 -9.058 5.927 5.993 1.00 0.00 C ATOM 1671 OE1 GLU A 101 -8.230 4.999 6.104 1.00 0.00 O ATOM 1672 OE2 GLU A 101 -9.027 6.765 5.066 1.00 0.00 O ATOM 0 H GLU A 101 -9.572 7.183 10.746 1.00 0.00 H new ATOM 0 HA GLU A 101 -11.523 5.758 9.243 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -9.517 7.378 8.582 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -8.605 5.884 8.503 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -10.742 5.128 7.042 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -10.828 6.855 6.756 1.00 0.00 H new ATOM 1679 N ALA A 102 -10.021 3.854 11.043 1.00 0.00 N ATOM 1680 CA ALA A 102 -9.681 2.483 11.400 1.00 0.00 C ATOM 1681 C ALA A 102 -10.780 1.851 12.250 1.00 0.00 C ATOM 1682 O ALA A 102 -11.377 0.848 11.861 1.00 0.00 O ATOM 1683 CB ALA A 102 -8.352 2.444 12.140 1.00 0.00 C ATOM 0 H ALA A 102 -10.185 4.467 11.841 1.00 0.00 H new ATOM 0 HA ALA A 102 -9.589 1.905 10.480 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -8.111 1.413 12.400 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -7.568 2.850 11.501 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -8.424 3.041 13.049 1.00 0.00 H new ATOM 1689 N SER A 103 -11.045 2.456 13.408 1.00 0.00 N ATOM 1690 CA SER A 103 -12.070 1.963 14.326 1.00 0.00 C ATOM 1691 C SER A 103 -12.102 2.804 15.598 1.00 0.00 C ATOM 1692 O SER A 103 -13.169 3.111 16.129 1.00 0.00 O ATOM 1693 CB SER A 103 -11.811 0.496 14.684 1.00 0.00 C ATOM 1694 OG SER A 103 -12.839 -0.340 14.183 1.00 0.00 O ATOM 0 H SER A 103 -10.561 3.293 13.733 1.00 0.00 H new ATOM 0 HA SER A 103 -13.036 2.041 13.826 1.00 0.00 H new ATOM 0 HB2 SER A 103 -10.851 0.182 14.274 1.00 0.00 H new ATOM 0 HB3 SER A 103 -11.746 0.389 15.767 1.00 0.00 H new ATOM 0 HG SER A 103 -12.834 -0.313 13.203 1.00 0.00 H new ATOM 1700 N GLY A 104 -10.918 3.169 16.078 1.00 0.00 N ATOM 1701 CA GLY A 104 -10.808 3.970 17.284 1.00 0.00 C ATOM 1702 C GLY A 104 -9.371 4.092 17.744 1.00 0.00 C ATOM 1703 O GLY A 104 -9.075 3.970 18.933 1.00 0.00 O ATOM 0 H GLY A 104 -10.026 2.922 15.650 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -11.217 4.963 17.100 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -11.407 3.520 18.076 1.00 0.00 H new ATOM 1707 N SER A 105 -8.478 4.335 16.791 1.00 0.00 N ATOM 1708 CA SER A 105 -7.055 4.461 17.087 1.00 0.00 C ATOM 1709 C SER A 105 -6.522 5.811 16.676 1.00 0.00 C ATOM 1710 O SER A 105 -6.724 6.261 15.549 1.00 0.00 O ATOM 1711 CB SER A 105 -6.264 3.350 16.394 1.00 0.00 C ATOM 1712 OG SER A 105 -5.205 2.889 17.215 1.00 0.00 O ATOM 0 H SER A 105 -8.715 4.449 15.805 1.00 0.00 H new ATOM 0 HA SER A 105 -6.933 4.365 18.166 1.00 0.00 H new ATOM 0 HB2 SER A 105 -6.930 2.521 16.154 1.00 0.00 H new ATOM 0 HB3 SER A 105 -5.862 3.720 15.450 1.00 0.00 H new ATOM 0 HG SER A 105 -4.716 2.178 16.750 1.00 0.00 H new ATOM 1718 N SER A 106 -5.832 6.455 17.607 1.00 0.00 N ATOM 1719 CA SER A 106 -5.258 7.755 17.357 1.00 0.00 C ATOM 1720 C SER A 106 -4.168 7.660 16.303 1.00 0.00 C ATOM 1721 O SER A 106 -3.385 6.710 16.276 1.00 0.00 O ATOM 1722 CB SER A 106 -4.689 8.345 18.648 1.00 0.00 C ATOM 1723 OG SER A 106 -3.942 7.378 19.366 1.00 0.00 O ATOM 0 H SER A 106 -5.660 6.090 18.544 1.00 0.00 H new ATOM 0 HA SER A 106 -6.045 8.413 16.989 1.00 0.00 H new ATOM 0 HB2 SER A 106 -4.053 9.198 18.412 1.00 0.00 H new ATOM 0 HB3 SER A 106 -5.503 8.716 19.271 1.00 0.00 H new ATOM 0 HG SER A 106 -3.588 7.781 20.186 1.00 0.00 H new ATOM 1729 N VAL A 107 -4.134 8.655 15.444 1.00 0.00 N ATOM 1730 CA VAL A 107 -3.143 8.725 14.377 1.00 0.00 C ATOM 1731 C VAL A 107 -2.636 10.148 14.224 1.00 0.00 C ATOM 1732 O VAL A 107 -3.405 11.108 14.284 1.00 0.00 O ATOM 1733 CB VAL A 107 -3.698 8.216 13.029 1.00 0.00 C ATOM 1734 CG1 VAL A 107 -2.926 8.806 11.856 1.00 0.00 C ATOM 1735 CG2 VAL A 107 -3.646 6.700 12.982 1.00 0.00 C ATOM 0 H VAL A 107 -4.787 9.438 15.460 1.00 0.00 H new ATOM 0 HA VAL A 107 -2.318 8.071 14.660 1.00 0.00 H new ATOM 0 HB VAL A 107 -4.735 8.541 12.946 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -3.340 8.429 10.921 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -3.007 9.893 11.877 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -1.877 8.519 11.930 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -4.040 6.352 12.027 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -2.614 6.368 13.092 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -4.247 6.290 13.794 1.00 0.00 H new ATOM 1745 N THR A 108 -1.335 10.269 14.026 1.00 0.00 N ATOM 1746 CA THR A 108 -0.696 11.564 13.884 1.00 0.00 C ATOM 1747 C THR A 108 -1.314 12.395 12.762 1.00 0.00 C ATOM 1748 O THR A 108 -1.798 11.861 11.765 1.00 0.00 O ATOM 1749 CB THR A 108 0.805 11.389 13.605 1.00 0.00 C ATOM 1750 OG1 THR A 108 1.239 10.101 14.059 1.00 0.00 O ATOM 1751 CG2 THR A 108 1.610 12.471 14.301 1.00 0.00 C ATOM 0 H THR A 108 -0.696 9.477 13.960 1.00 0.00 H new ATOM 0 HA THR A 108 -0.847 12.095 14.824 1.00 0.00 H new ATOM 0 HB THR A 108 0.966 11.470 12.530 1.00 0.00 H new ATOM 0 HG1 THR A 108 2.196 9.995 13.877 1.00 0.00 H new ATOM 0 HG21 THR A 108 2.670 12.328 14.090 1.00 0.00 H new ATOM 0 HG22 THR A 108 1.296 13.449 13.937 1.00 0.00 H new ATOM 0 HG23 THR A 108 1.443 12.414 15.377 1.00 0.00 H new ATOM 1759 N ALA A 109 -1.285 13.712 12.946 1.00 0.00 N ATOM 1760 CA ALA A 109 -1.809 14.654 11.963 1.00 0.00 C ATOM 1761 C ALA A 109 -0.774 14.906 10.875 1.00 0.00 C ATOM 1762 O ALA A 109 -1.070 15.483 9.830 1.00 0.00 O ATOM 1763 CB ALA A 109 -2.209 15.959 12.634 1.00 0.00 C ATOM 0 H ALA A 109 -0.898 14.155 13.779 1.00 0.00 H new ATOM 0 HA ALA A 109 -2.698 14.221 11.504 1.00 0.00 H new ATOM 0 HB1 ALA A 109 -2.597 16.649 11.885 1.00 0.00 H new ATOM 0 HB2 ALA A 109 -2.978 15.763 13.381 1.00 0.00 H new ATOM 0 HB3 ALA A 109 -1.338 16.401 13.118 1.00 0.00 H new ATOM 1769 N GLU A 110 0.448 14.465 11.147 1.00 0.00 N ATOM 1770 CA GLU A 110 1.560 14.639 10.225 1.00 0.00 C ATOM 1771 C GLU A 110 1.565 13.524 9.186 1.00 0.00 C ATOM 1772 O GLU A 110 2.217 13.622 8.149 1.00 0.00 O ATOM 1773 CB GLU A 110 2.888 14.656 10.984 1.00 0.00 C ATOM 1774 CG GLU A 110 3.585 16.006 10.962 1.00 0.00 C ATOM 1775 CD GLU A 110 4.554 16.180 12.114 1.00 0.00 C ATOM 1776 OE1 GLU A 110 5.507 15.380 12.215 1.00 0.00 O ATOM 1777 OE2 GLU A 110 4.362 17.119 12.916 1.00 0.00 O ATOM 0 H GLU A 110 0.694 13.979 12.009 1.00 0.00 H new ATOM 0 HA GLU A 110 1.438 15.595 9.715 1.00 0.00 H new ATOM 0 HB2 GLU A 110 2.709 14.366 12.019 1.00 0.00 H new ATOM 0 HB3 GLU A 110 3.552 13.907 10.554 1.00 0.00 H new ATOM 0 HG2 GLU A 110 4.122 16.118 10.020 1.00 0.00 H new ATOM 0 HG3 GLU A 110 2.837 16.798 10.999 1.00 0.00 H new ATOM 1784 N GLU A 111 0.834 12.458 9.483 1.00 0.00 N ATOM 1785 CA GLU A 111 0.763 11.314 8.593 1.00 0.00 C ATOM 1786 C GLU A 111 -0.256 11.549 7.482 1.00 0.00 C ATOM 1787 O GLU A 111 0.036 11.334 6.307 1.00 0.00 O ATOM 1788 CB GLU A 111 0.397 10.053 9.383 1.00 0.00 C ATOM 1789 CG GLU A 111 -0.246 8.968 8.537 1.00 0.00 C ATOM 1790 CD GLU A 111 -0.218 7.610 9.210 1.00 0.00 C ATOM 1791 OE1 GLU A 111 0.639 7.403 10.095 1.00 0.00 O ATOM 1792 OE2 GLU A 111 -1.053 6.753 8.854 1.00 0.00 O ATOM 0 H GLU A 111 0.282 12.365 10.336 1.00 0.00 H new ATOM 0 HA GLU A 111 1.743 11.178 8.135 1.00 0.00 H new ATOM 0 HB2 GLU A 111 1.297 9.653 9.849 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -0.285 10.325 10.189 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -1.279 9.243 8.325 1.00 0.00 H new ATOM 0 HG3 GLU A 111 0.271 8.905 7.579 1.00 0.00 H new ATOM 1799 N ALA A 112 -1.449 11.998 7.856 1.00 0.00 N ATOM 1800 CA ALA A 112 -2.512 12.227 6.887 1.00 0.00 C ATOM 1801 C ALA A 112 -2.486 13.630 6.278 1.00 0.00 C ATOM 1802 O ALA A 112 -2.657 13.789 5.069 1.00 0.00 O ATOM 1803 CB ALA A 112 -3.862 11.970 7.538 1.00 0.00 C ATOM 0 H ALA A 112 -1.703 12.210 8.821 1.00 0.00 H new ATOM 0 HA ALA A 112 -2.346 11.529 6.066 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -4.655 12.142 6.811 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -3.907 10.938 7.887 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -3.992 12.645 8.384 1.00 0.00 H new ATOM 1809 N LYS A 113 -2.272 14.645 7.112 1.00 0.00 N ATOM 1810 CA LYS A 113 -2.281 16.031 6.644 1.00 0.00 C ATOM 1811 C LYS A 113 -0.971 16.451 5.981 1.00 0.00 C ATOM 1812 O LYS A 113 -0.984 17.041 4.901 1.00 0.00 O ATOM 1813 CB LYS A 113 -2.599 16.978 7.803 1.00 0.00 C ATOM 1814 CG LYS A 113 -3.783 16.533 8.646 1.00 0.00 C ATOM 1815 CD LYS A 113 -4.242 17.636 9.587 1.00 0.00 C ATOM 1816 CE LYS A 113 -5.758 17.726 9.644 1.00 0.00 C ATOM 1817 NZ LYS A 113 -6.292 17.291 10.964 1.00 0.00 N ATOM 0 H LYS A 113 -2.091 14.536 8.110 1.00 0.00 H new ATOM 0 HA LYS A 113 -3.058 16.094 5.882 1.00 0.00 H new ATOM 0 HB2 LYS A 113 -1.720 17.064 8.442 1.00 0.00 H new ATOM 0 HB3 LYS A 113 -2.801 17.972 7.404 1.00 0.00 H new ATOM 0 HG2 LYS A 113 -4.607 16.243 7.994 1.00 0.00 H new ATOM 0 HG3 LYS A 113 -3.508 15.651 9.224 1.00 0.00 H new ATOM 0 HD2 LYS A 113 -3.850 17.449 10.587 1.00 0.00 H new ATOM 0 HD3 LYS A 113 -3.832 18.591 9.257 1.00 0.00 H new ATOM 0 HE2 LYS A 113 -6.068 18.752 9.448 1.00 0.00 H new ATOM 0 HE3 LYS A 113 -6.188 17.107 8.857 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 -7.329 17.368 10.961 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 -6.018 16.303 11.141 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 -5.902 17.898 11.713 1.00 0.00 H new ATOM 1831 N LYS A 114 0.156 16.154 6.618 1.00 0.00 N ATOM 1832 CA LYS A 114 1.449 16.545 6.084 1.00 0.00 C ATOM 1833 C LYS A 114 1.745 15.856 4.755 1.00 0.00 C ATOM 1834 O LYS A 114 2.383 16.435 3.877 1.00 0.00 O ATOM 1835 CB LYS A 114 2.533 16.221 7.103 1.00 0.00 C ATOM 1836 CG LYS A 114 3.337 17.425 7.562 1.00 0.00 C ATOM 1837 CD LYS A 114 2.442 18.583 7.978 1.00 0.00 C ATOM 1838 CE LYS A 114 3.234 19.679 8.672 1.00 0.00 C ATOM 1839 NZ LYS A 114 3.976 19.162 9.855 1.00 0.00 N ATOM 0 H LYS A 114 0.198 15.646 7.501 1.00 0.00 H new ATOM 0 HA LYS A 114 1.431 17.618 5.893 1.00 0.00 H new ATOM 0 HB2 LYS A 114 2.070 15.754 7.973 1.00 0.00 H new ATOM 0 HB3 LYS A 114 3.214 15.487 6.672 1.00 0.00 H new ATOM 0 HG2 LYS A 114 3.972 17.139 8.400 1.00 0.00 H new ATOM 0 HG3 LYS A 114 3.997 17.748 6.757 1.00 0.00 H new ATOM 0 HD2 LYS A 114 1.944 18.993 7.099 1.00 0.00 H new ATOM 0 HD3 LYS A 114 1.661 18.219 8.646 1.00 0.00 H new ATOM 0 HE2 LYS A 114 3.938 20.121 7.967 1.00 0.00 H new ATOM 0 HE3 LYS A 114 2.557 20.473 8.987 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 4.435 19.953 10.350 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 3.313 18.688 10.501 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 4.699 18.484 9.542 1.00 0.00 H new ATOM 1853 N PHE A 115 1.280 14.621 4.610 1.00 0.00 N ATOM 1854 CA PHE A 115 1.504 13.864 3.384 1.00 0.00 C ATOM 1855 C PHE A 115 0.731 14.466 2.215 1.00 0.00 C ATOM 1856 O PHE A 115 1.279 14.656 1.129 1.00 0.00 O ATOM 1857 CB PHE A 115 1.092 12.405 3.580 1.00 0.00 C ATOM 1858 CG PHE A 115 2.203 11.527 4.081 1.00 0.00 C ATOM 1859 CD1 PHE A 115 2.799 11.771 5.309 1.00 0.00 C ATOM 1860 CD2 PHE A 115 2.645 10.455 3.327 1.00 0.00 C ATOM 1861 CE1 PHE A 115 3.815 10.958 5.774 1.00 0.00 C ATOM 1862 CE2 PHE A 115 3.662 9.640 3.785 1.00 0.00 C ATOM 1863 CZ PHE A 115 4.247 9.891 5.010 1.00 0.00 C ATOM 0 H PHE A 115 0.747 14.124 5.323 1.00 0.00 H new ATOM 0 HA PHE A 115 2.568 13.910 3.152 1.00 0.00 H new ATOM 0 HB2 PHE A 115 0.261 12.363 4.284 1.00 0.00 H new ATOM 0 HB3 PHE A 115 0.727 12.009 2.632 1.00 0.00 H new ATOM 0 HD1 PHE A 115 2.466 12.605 5.908 1.00 0.00 H new ATOM 0 HD2 PHE A 115 2.190 10.253 2.369 1.00 0.00 H new ATOM 0 HE1 PHE A 115 4.271 11.156 6.733 1.00 0.00 H new ATOM 0 HE2 PHE A 115 3.999 8.807 3.185 1.00 0.00 H new ATOM 0 HZ PHE A 115 5.041 9.254 5.371 1.00 0.00 H new ATOM 1873 N LEU A 116 -0.545 14.765 2.442 1.00 0.00 N ATOM 1874 CA LEU A 116 -1.392 15.341 1.404 1.00 0.00 C ATOM 1875 C LEU A 116 -1.734 16.794 1.718 1.00 0.00 C ATOM 1876 O LEU A 116 -2.902 17.145 1.891 1.00 0.00 O ATOM 1877 CB LEU A 116 -2.676 14.522 1.252 1.00 0.00 C ATOM 1878 CG LEU A 116 -2.475 13.090 0.751 1.00 0.00 C ATOM 1879 CD1 LEU A 116 -2.556 12.105 1.908 1.00 0.00 C ATOM 1880 CD2 LEU A 116 -3.505 12.749 -0.316 1.00 0.00 C ATOM 0 H LEU A 116 -1.014 14.618 3.336 1.00 0.00 H new ATOM 0 HA LEU A 116 -0.839 15.315 0.465 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -3.182 14.486 2.217 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -3.341 15.042 0.563 1.00 0.00 H new ATOM 0 HG LEU A 116 -1.483 13.016 0.306 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -2.411 11.092 1.534 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -1.781 12.337 2.638 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -3.535 12.180 2.382 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -3.347 11.727 -0.661 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -4.507 12.840 0.103 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -3.400 13.436 -1.156 1.00 0.00 H new ATOM 1892 N ALA A 117 -0.709 17.637 1.791 1.00 0.00 N ATOM 1893 CA ALA A 117 -0.902 19.054 2.081 1.00 0.00 C ATOM 1894 C ALA A 117 -1.274 19.825 0.816 1.00 0.00 C ATOM 1895 O ALA A 117 -0.920 19.418 -0.292 1.00 0.00 O ATOM 1896 CB ALA A 117 0.353 19.638 2.709 1.00 0.00 C ATOM 0 H ALA A 117 0.264 17.364 1.653 1.00 0.00 H new ATOM 0 HA ALA A 117 -1.726 19.149 2.789 1.00 0.00 H new ATOM 0 HB1 ALA A 117 0.196 20.696 2.920 1.00 0.00 H new ATOM 0 HB2 ALA A 117 0.574 19.111 3.637 1.00 0.00 H new ATOM 0 HB3 ALA A 117 1.190 19.526 2.020 1.00 0.00 H new