USER MOD reduce.3.24.130724 H: found=0, std=0, add=563, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 560 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 53 HIS : no HE2:sc= 0.742 K(o=1.4,f=-4.2!) USER MOD Set 1.2: A 56 GLN : amide:sc= 0.66 K(o=1.4,f=-3.4!) USER MOD Set 2.1: A 25 ASN : amide:sc= 0.00869 X(o=0.022,f=0) USER MOD Set 2.2: A 27 SER OG : rot 180:sc= 0.0137 USER MOD Single : A 1 GLY N :NH3+ -130:sc= 0.0134 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 HIS : no HD1:sc= -0.0288 X(o=-0.029,f=-0.029) USER MOD Single : A 4 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 11 ASN : amide:sc= 0.546 K(o=0.55,f=-2.9!) USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=-0.49) USER MOD Single : A 14 GLN : amide:sc= 1.03 K(o=1,f=0) USER MOD Single : A 16 GLN : amide:sc= 1.08 K(o=1.1,f=-3.4!) USER MOD Single : A 17 GLN : amide:sc= 0.872 K(o=0.87,f=0) USER MOD Single : A 18 MET CE :methyl -114:sc= -0.0249 (180deg=-0.202) USER MOD Single : A 20 GLN : amide:sc= 0.987 K(o=0.99,f=-0.15) USER MOD Single : A 23 GLN : amide:sc= 1.35 K(o=1.4,f=-0.022) USER MOD Single : A 24 GLN : amide:sc= 0.817 K(o=0.82,f=0) USER MOD Single : A 34 GLN : amide:sc= 0.569 K(o=0.57,f=-0.0013) USER MOD Single : A 35 GLN : amide:sc= 0.982 K(o=0.98,f=0) USER MOD Single : A 40 ASN : amide:sc= 0 X(o=0,f=-0.18) USER MOD Single : A 42 GLN : amide:sc= 0.605 K(o=0.6,f=-4.3!) USER MOD Single : A 45 GLN : amide:sc= -0.0793 X(o=-0.079,f=-0.079) USER MOD Single : A 46 GLN : amide:sc= 0.655 K(o=0.66,f=0) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 49 GLN : amide:sc= 0.98 K(o=0.98,f=0) USER MOD Single : A 50 HIS : no HE2:sc= 0.814 K(o=0.81,f=-2.8!) USER MOD Single : A 51 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 57 MET CE :methyl -136:sc=-0.00514 (180deg=-1.15) USER MOD Single : A 59 ASN : amide:sc= 0 K(o=0,f=-0.61) USER MOD Single : A 63 GLN : amide:sc= 0.879 K(o=0.88,f=-0.19) USER MOD Single : A 68 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 17.019 -2.858 9.945 1.00 10.00 N ATOM 2 CA GLY A 1 16.141 -3.044 8.767 1.00 10.00 C ATOM 3 C GLY A 1 16.566 -4.252 7.945 1.00 10.00 C ATOM 4 O GLY A 1 16.964 -5.269 8.510 1.00 10.00 O ATOM 0 H1 GLY A 1 16.436 -2.746 10.799 1.00 10.00 H new ATOM 0 H2 GLY A 1 17.635 -3.689 10.054 1.00 10.00 H new ATOM 0 H3 GLY A 1 17.604 -2.009 9.811 1.00 10.00 H new ATOM 0 HA2 GLY A 1 15.110 -3.170 9.096 1.00 10.00 H new ATOM 0 HA3 GLY A 1 16.170 -2.150 8.145 1.00 10.00 H new ATOM 10 N SER A 2 16.482 -4.152 6.613 1.00 10.00 N ATOM 11 CA SER A 2 16.982 -5.132 5.615 1.00 10.00 C ATOM 12 C SER A 2 16.382 -6.556 5.654 1.00 10.00 C ATOM 13 O SER A 2 16.833 -7.429 4.908 1.00 10.00 O ATOM 14 CB SER A 2 18.519 -5.189 5.641 1.00 10.00 C ATOM 15 OG SER A 2 19.075 -3.885 5.512 1.00 10.00 O ATOM 0 H SER A 2 16.042 -3.346 6.169 1.00 10.00 H new ATOM 0 HA SER A 2 16.618 -4.736 4.667 1.00 10.00 H new ATOM 0 HB2 SER A 2 18.855 -5.642 6.574 1.00 10.00 H new ATOM 0 HB3 SER A 2 18.878 -5.824 4.831 1.00 10.00 H new ATOM 0 HG SER A 2 20.053 -3.943 5.533 1.00 10.00 H new ATOM 21 N HIS A 3 15.354 -6.803 6.476 1.00 10.00 N ATOM 22 CA HIS A 3 14.752 -8.127 6.721 1.00 10.00 C ATOM 23 C HIS A 3 13.206 -8.062 6.788 1.00 10.00 C ATOM 24 O HIS A 3 12.566 -8.821 7.521 1.00 10.00 O ATOM 25 CB HIS A 3 15.367 -8.730 8.003 1.00 10.00 C ATOM 26 CG HIS A 3 16.864 -8.931 7.948 1.00 10.00 C ATOM 27 ND1 HIS A 3 17.548 -9.770 7.095 1.00 10.00 N ATOM 28 CD2 HIS A 3 17.798 -8.330 8.751 1.00 10.00 C ATOM 29 CE1 HIS A 3 18.860 -9.670 7.367 1.00 10.00 C ATOM 30 NE2 HIS A 3 19.065 -8.802 8.375 1.00 10.00 N ATOM 0 H HIS A 3 14.900 -6.062 7.010 1.00 10.00 H new ATOM 0 HA HIS A 3 14.980 -8.781 5.879 1.00 10.00 H new ATOM 0 HB2 HIS A 3 15.132 -8.078 8.844 1.00 10.00 H new ATOM 0 HB3 HIS A 3 14.892 -9.691 8.201 1.00 10.00 H new ATOM 0 HD2 HIS A 3 17.594 -7.617 9.536 1.00 10.00 H new ATOM 0 HE1 HIS A 3 19.640 -10.210 6.850 1.00 10.00 H new ATOM 0 HE2 HIS A 3 19.962 -8.540 8.784 1.00 10.00 H new ATOM 38 N MET A 4 12.597 -7.116 6.061 1.00 10.00 N ATOM 39 CA MET A 4 11.147 -6.859 6.078 1.00 10.00 C ATOM 40 C MET A 4 10.323 -8.100 5.662 1.00 10.00 C ATOM 41 O MET A 4 10.693 -8.777 4.698 1.00 10.00 O ATOM 42 CB MET A 4 10.796 -5.685 5.145 1.00 10.00 C ATOM 43 CG MET A 4 11.514 -4.376 5.476 1.00 10.00 C ATOM 44 SD MET A 4 11.241 -3.738 7.151 1.00 10.00 S ATOM 45 CE MET A 4 12.261 -2.243 7.050 1.00 10.00 C ATOM 0 H MET A 4 13.106 -6.495 5.432 1.00 10.00 H new ATOM 0 HA MET A 4 10.887 -6.610 7.107 1.00 10.00 H new ATOM 0 HB2 MET A 4 11.036 -5.967 4.120 1.00 10.00 H new ATOM 0 HB3 MET A 4 9.720 -5.515 5.185 1.00 10.00 H new ATOM 0 HG2 MET A 4 12.584 -4.523 5.332 1.00 10.00 H new ATOM 0 HG3 MET A 4 11.197 -3.617 4.761 1.00 10.00 H new ATOM 0 HE1 MET A 4 12.219 -1.709 7.999 1.00 10.00 H new ATOM 0 HE2 MET A 4 13.293 -2.520 6.835 1.00 10.00 H new ATOM 0 HE3 MET A 4 11.885 -1.599 6.255 1.00 10.00 H new ATOM 55 N PRO A 5 9.164 -8.373 6.297 1.00 10.00 N ATOM 56 CA PRO A 5 8.303 -9.515 5.958 1.00 10.00 C ATOM 57 C PRO A 5 7.594 -9.389 4.594 1.00 10.00 C ATOM 58 O PRO A 5 6.988 -10.353 4.124 1.00 10.00 O ATOM 59 CB PRO A 5 7.300 -9.618 7.114 1.00 10.00 C ATOM 60 CG PRO A 5 7.189 -8.179 7.607 1.00 10.00 C ATOM 61 CD PRO A 5 8.601 -7.633 7.417 1.00 10.00 C ATOM 0 HA PRO A 5 8.904 -10.417 5.844 1.00 10.00 H new ATOM 0 HB2 PRO A 5 6.337 -10.004 6.779 1.00 10.00 H new ATOM 0 HB3 PRO A 5 7.656 -10.286 7.898 1.00 10.00 H new ATOM 0 HG2 PRO A 5 6.458 -7.612 7.031 1.00 10.00 H new ATOM 0 HG3 PRO A 5 6.877 -8.134 8.651 1.00 10.00 H new ATOM 0 HD2 PRO A 5 8.582 -6.563 7.209 1.00 10.00 H new ATOM 0 HD3 PRO A 5 9.199 -7.772 8.318 1.00 10.00 H new ATOM 69 N LEU A 6 7.687 -8.221 3.945 1.00 10.00 N ATOM 70 CA LEU A 6 7.087 -7.900 2.643 1.00 10.00 C ATOM 71 C LEU A 6 8.137 -7.770 1.518 1.00 10.00 C ATOM 72 O LEU A 6 7.803 -7.395 0.394 1.00 10.00 O ATOM 73 CB LEU A 6 6.259 -6.606 2.796 1.00 10.00 C ATOM 74 CG LEU A 6 5.100 -6.678 3.811 1.00 10.00 C ATOM 75 CD1 LEU A 6 4.483 -5.289 3.963 1.00 10.00 C ATOM 76 CD2 LEU A 6 4.006 -7.659 3.386 1.00 10.00 C ATOM 0 H LEU A 6 8.209 -7.435 4.333 1.00 10.00 H new ATOM 0 HA LEU A 6 6.440 -8.724 2.342 1.00 10.00 H new ATOM 0 HB2 LEU A 6 6.929 -5.799 3.092 1.00 10.00 H new ATOM 0 HB3 LEU A 6 5.850 -6.339 1.822 1.00 10.00 H new ATOM 0 HG LEU A 6 5.515 -7.033 4.754 1.00 10.00 H new ATOM 0 HD11 LEU A 6 3.663 -5.332 4.679 1.00 10.00 H new ATOM 0 HD12 LEU A 6 5.241 -4.591 4.320 1.00 10.00 H new ATOM 0 HD13 LEU A 6 4.105 -4.951 2.998 1.00 10.00 H new ATOM 0 HD21 LEU A 6 3.215 -7.670 4.136 1.00 10.00 H new ATOM 0 HD22 LEU A 6 3.592 -7.349 2.427 1.00 10.00 H new ATOM 0 HD23 LEU A 6 4.430 -8.659 3.292 1.00 10.00 H new ATOM 88 N GLU A 7 9.415 -8.075 1.788 1.00 10.00 N ATOM 89 CA GLU A 7 10.519 -7.876 0.832 1.00 10.00 C ATOM 90 C GLU A 7 10.401 -8.689 -0.473 1.00 10.00 C ATOM 91 O GLU A 7 11.024 -8.333 -1.471 1.00 10.00 O ATOM 92 CB GLU A 7 11.879 -8.057 1.533 1.00 10.00 C ATOM 93 CG GLU A 7 12.297 -9.507 1.835 1.00 10.00 C ATOM 94 CD GLU A 7 12.924 -10.207 0.616 1.00 10.00 C ATOM 95 OE1 GLU A 7 13.926 -9.702 0.059 1.00 10.00 O ATOM 96 OE2 GLU A 7 12.419 -11.266 0.176 1.00 10.00 O ATOM 0 H GLU A 7 9.715 -8.469 2.680 1.00 10.00 H new ATOM 0 HA GLU A 7 10.443 -6.843 0.491 1.00 10.00 H new ATOM 0 HB2 GLU A 7 12.649 -7.600 0.911 1.00 10.00 H new ATOM 0 HB3 GLU A 7 11.858 -7.503 2.472 1.00 10.00 H new ATOM 0 HG2 GLU A 7 13.010 -9.512 2.659 1.00 10.00 H new ATOM 0 HG3 GLU A 7 11.425 -10.072 2.165 1.00 10.00 H new ATOM 103 N PHE A 8 9.560 -9.727 -0.521 1.00 10.00 N ATOM 104 CA PHE A 8 9.245 -10.469 -1.752 1.00 10.00 C ATOM 105 C PHE A 8 8.636 -9.593 -2.871 1.00 10.00 C ATOM 106 O PHE A 8 8.679 -9.967 -4.045 1.00 10.00 O ATOM 107 CB PHE A 8 8.335 -11.661 -1.413 1.00 10.00 C ATOM 108 CG PHE A 8 6.963 -11.299 -0.866 1.00 10.00 C ATOM 109 CD1 PHE A 8 5.894 -11.044 -1.749 1.00 10.00 C ATOM 110 CD2 PHE A 8 6.742 -11.240 0.524 1.00 10.00 C ATOM 111 CE1 PHE A 8 4.620 -10.726 -1.247 1.00 10.00 C ATOM 112 CE2 PHE A 8 5.466 -10.923 1.025 1.00 10.00 C ATOM 113 CZ PHE A 8 4.406 -10.660 0.141 1.00 10.00 C ATOM 0 H PHE A 8 9.072 -10.082 0.301 1.00 10.00 H new ATOM 0 HA PHE A 8 10.189 -10.831 -2.160 1.00 10.00 H new ATOM 0 HB2 PHE A 8 8.202 -12.262 -2.312 1.00 10.00 H new ATOM 0 HB3 PHE A 8 8.845 -12.289 -0.682 1.00 10.00 H new ATOM 0 HD1 PHE A 8 6.055 -11.093 -2.816 1.00 10.00 H new ATOM 0 HD2 PHE A 8 7.554 -11.439 1.207 1.00 10.00 H new ATOM 0 HE1 PHE A 8 3.805 -10.532 -1.928 1.00 10.00 H new ATOM 0 HE2 PHE A 8 5.301 -10.882 2.092 1.00 10.00 H new ATOM 0 HZ PHE A 8 3.429 -10.408 0.527 1.00 10.00 H new ATOM 123 N LEU A 9 8.095 -8.417 -2.530 1.00 10.00 N ATOM 124 CA LEU A 9 7.554 -7.434 -3.477 1.00 10.00 C ATOM 125 C LEU A 9 8.629 -6.647 -4.256 1.00 10.00 C ATOM 126 O LEU A 9 8.296 -6.030 -5.268 1.00 10.00 O ATOM 127 CB LEU A 9 6.650 -6.450 -2.708 1.00 10.00 C ATOM 128 CG LEU A 9 5.436 -7.075 -1.992 1.00 10.00 C ATOM 129 CD1 LEU A 9 4.693 -6.006 -1.191 1.00 10.00 C ATOM 130 CD2 LEU A 9 4.453 -7.693 -2.986 1.00 10.00 C ATOM 0 H LEU A 9 8.019 -8.114 -1.559 1.00 10.00 H new ATOM 0 HA LEU A 9 6.994 -7.994 -4.225 1.00 10.00 H new ATOM 0 HB2 LEU A 9 7.258 -5.931 -1.967 1.00 10.00 H new ATOM 0 HB3 LEU A 9 6.287 -5.697 -3.407 1.00 10.00 H new ATOM 0 HG LEU A 9 5.817 -7.856 -1.334 1.00 10.00 H new ATOM 0 HD11 LEU A 9 3.837 -6.457 -0.689 1.00 10.00 H new ATOM 0 HD12 LEU A 9 5.364 -5.576 -0.448 1.00 10.00 H new ATOM 0 HD13 LEU A 9 4.347 -5.222 -1.864 1.00 10.00 H new ATOM 0 HD21 LEU A 9 3.611 -8.124 -2.445 1.00 10.00 H new ATOM 0 HD22 LEU A 9 4.091 -6.922 -3.667 1.00 10.00 H new ATOM 0 HD23 LEU A 9 4.955 -8.474 -3.556 1.00 10.00 H new ATOM 142 N ARG A 10 9.901 -6.659 -3.817 1.00 10.00 N ATOM 143 CA ARG A 10 10.982 -5.733 -4.242 1.00 10.00 C ATOM 144 C ARG A 10 11.220 -5.579 -5.758 1.00 10.00 C ATOM 145 O ARG A 10 11.784 -4.569 -6.178 1.00 10.00 O ATOM 146 CB ARG A 10 12.295 -6.115 -3.519 1.00 10.00 C ATOM 147 CG ARG A 10 12.982 -7.323 -4.181 1.00 10.00 C ATOM 148 CD ARG A 10 14.100 -7.989 -3.363 1.00 10.00 C ATOM 149 NE ARG A 10 13.667 -9.243 -2.717 1.00 10.00 N ATOM 150 CZ ARG A 10 13.373 -10.397 -3.289 1.00 10.00 C ATOM 151 NH1 ARG A 10 13.404 -10.582 -4.582 1.00 10.00 N ATOM 152 NH2 ARG A 10 13.032 -11.415 -2.555 1.00 10.00 N ATOM 0 H ARG A 10 10.223 -7.339 -3.129 1.00 10.00 H new ATOM 0 HA ARG A 10 10.629 -4.745 -3.948 1.00 10.00 H new ATOM 0 HB2 ARG A 10 12.974 -5.263 -3.525 1.00 10.00 H new ATOM 0 HB3 ARG A 10 12.081 -6.345 -2.475 1.00 10.00 H new ATOM 0 HG2 ARG A 10 12.222 -8.073 -4.401 1.00 10.00 H new ATOM 0 HG3 ARG A 10 13.398 -7.002 -5.136 1.00 10.00 H new ATOM 0 HD2 ARG A 10 14.948 -8.196 -4.016 1.00 10.00 H new ATOM 0 HD3 ARG A 10 14.449 -7.294 -2.599 1.00 10.00 H new ATOM 0 HE ARG A 10 13.584 -9.215 -1.701 1.00 10.00 H new ATOM 0 HH11 ARG A 10 13.665 -9.814 -5.201 1.00 10.00 H new ATOM 0 HH12 ARG A 10 13.168 -11.494 -4.972 1.00 10.00 H new ATOM 0 HH21 ARG A 10 12.992 -11.321 -1.540 1.00 10.00 H new ATOM 0 HH22 ARG A 10 12.805 -12.307 -2.994 1.00 10.00 H new ATOM 166 N ASN A 11 10.820 -6.562 -6.571 1.00 10.00 N ATOM 167 CA ASN A 11 11.040 -6.603 -8.025 1.00 10.00 C ATOM 168 C ASN A 11 9.740 -6.475 -8.850 1.00 10.00 C ATOM 169 O ASN A 11 9.802 -6.450 -10.082 1.00 10.00 O ATOM 170 CB ASN A 11 11.779 -7.913 -8.380 1.00 10.00 C ATOM 171 CG ASN A 11 13.167 -8.033 -7.775 1.00 10.00 C ATOM 172 OD1 ASN A 11 13.418 -8.837 -6.885 1.00 10.00 O ATOM 173 ND2 ASN A 11 14.118 -7.248 -8.228 1.00 10.00 N ATOM 0 H ASN A 11 10.317 -7.380 -6.226 1.00 10.00 H new ATOM 0 HA ASN A 11 11.644 -5.735 -8.290 1.00 10.00 H new ATOM 0 HB2 ASN A 11 11.176 -8.758 -8.047 1.00 10.00 H new ATOM 0 HB3 ASN A 11 11.861 -7.988 -9.464 1.00 10.00 H new ATOM 0 HD21 ASN A 11 15.059 -7.310 -7.839 1.00 10.00 H new ATOM 0 HD22 ASN A 11 13.915 -6.577 -8.969 1.00 10.00 H new ATOM 180 N GLN A 12 8.564 -6.424 -8.213 1.00 10.00 N ATOM 181 CA GLN A 12 7.270 -6.463 -8.907 1.00 10.00 C ATOM 182 C GLN A 12 6.963 -5.122 -9.616 1.00 10.00 C ATOM 183 O GLN A 12 7.049 -4.072 -8.970 1.00 10.00 O ATOM 184 CB GLN A 12 6.153 -6.844 -7.919 1.00 10.00 C ATOM 185 CG GLN A 12 6.375 -8.254 -7.335 1.00 10.00 C ATOM 186 CD GLN A 12 5.196 -8.791 -6.523 1.00 10.00 C ATOM 187 OE1 GLN A 12 4.101 -8.245 -6.486 1.00 10.00 O ATOM 188 NE2 GLN A 12 5.375 -9.906 -5.843 1.00 10.00 N ATOM 0 H GLN A 12 8.482 -6.354 -7.199 1.00 10.00 H new ATOM 0 HA GLN A 12 7.321 -7.227 -9.683 1.00 10.00 H new ATOM 0 HB2 GLN A 12 6.117 -6.115 -7.110 1.00 10.00 H new ATOM 0 HB3 GLN A 12 5.189 -6.806 -8.426 1.00 10.00 H new ATOM 0 HG2 GLN A 12 6.583 -8.945 -8.152 1.00 10.00 H new ATOM 0 HG3 GLN A 12 7.261 -8.236 -6.700 1.00 10.00 H new ATOM 0 HE21 GLN A 12 6.281 -10.375 -5.862 1.00 10.00 H new ATOM 0 HE22 GLN A 12 4.608 -10.300 -5.298 1.00 10.00 H new ATOM 197 N PRO A 13 6.580 -5.112 -10.913 1.00 10.00 N ATOM 198 CA PRO A 13 6.348 -3.889 -11.696 1.00 10.00 C ATOM 199 C PRO A 13 5.420 -2.842 -11.062 1.00 10.00 C ATOM 200 O PRO A 13 5.673 -1.643 -11.193 1.00 10.00 O ATOM 201 CB PRO A 13 5.788 -4.366 -13.040 1.00 10.00 C ATOM 202 CG PRO A 13 6.429 -5.736 -13.216 1.00 10.00 C ATOM 203 CD PRO A 13 6.463 -6.274 -11.789 1.00 10.00 C ATOM 0 HA PRO A 13 7.293 -3.352 -11.775 1.00 10.00 H new ATOM 0 HB2 PRO A 13 4.700 -4.429 -13.023 1.00 10.00 H new ATOM 0 HB3 PRO A 13 6.056 -3.689 -13.851 1.00 10.00 H new ATOM 0 HG2 PRO A 13 5.843 -6.376 -13.876 1.00 10.00 H new ATOM 0 HG3 PRO A 13 7.428 -5.664 -13.646 1.00 10.00 H new ATOM 0 HD2 PRO A 13 5.558 -6.839 -11.565 1.00 10.00 H new ATOM 0 HD3 PRO A 13 7.305 -6.952 -11.649 1.00 10.00 H new ATOM 211 N GLN A 14 4.359 -3.261 -10.362 1.00 10.00 N ATOM 212 CA GLN A 14 3.454 -2.341 -9.656 1.00 10.00 C ATOM 213 C GLN A 14 4.083 -1.761 -8.377 1.00 10.00 C ATOM 214 O GLN A 14 3.859 -0.595 -8.055 1.00 10.00 O ATOM 215 CB GLN A 14 2.135 -3.054 -9.309 1.00 10.00 C ATOM 216 CG GLN A 14 1.316 -3.441 -10.551 1.00 10.00 C ATOM 217 CD GLN A 14 -0.032 -4.049 -10.161 1.00 10.00 C ATOM 218 OE1 GLN A 14 -0.173 -5.254 -9.987 1.00 10.00 O ATOM 219 NE2 GLN A 14 -1.065 -3.248 -9.999 1.00 10.00 N ATOM 0 H GLN A 14 4.103 -4.244 -10.268 1.00 10.00 H new ATOM 0 HA GLN A 14 3.259 -1.508 -10.331 1.00 10.00 H new ATOM 0 HB2 GLN A 14 2.355 -3.952 -8.731 1.00 10.00 H new ATOM 0 HB3 GLN A 14 1.534 -2.405 -8.672 1.00 10.00 H new ATOM 0 HG2 GLN A 14 1.154 -2.560 -11.171 1.00 10.00 H new ATOM 0 HG3 GLN A 14 1.879 -4.155 -11.152 1.00 10.00 H new ATOM 0 HE21 GLN A 14 -0.959 -2.244 -10.141 1.00 10.00 H new ATOM 0 HE22 GLN A 14 -1.971 -3.632 -9.731 1.00 10.00 H new ATOM 228 N PHE A 15 4.897 -2.542 -7.658 1.00 10.00 N ATOM 229 CA PHE A 15 5.535 -2.134 -6.396 1.00 10.00 C ATOM 230 C PHE A 15 6.639 -1.093 -6.620 1.00 10.00 C ATOM 231 O PHE A 15 6.904 -0.245 -5.768 1.00 10.00 O ATOM 232 CB PHE A 15 6.090 -3.378 -5.690 1.00 10.00 C ATOM 233 CG PHE A 15 6.586 -3.121 -4.280 1.00 10.00 C ATOM 234 CD1 PHE A 15 5.662 -2.892 -3.243 1.00 10.00 C ATOM 235 CD2 PHE A 15 7.964 -3.151 -3.992 1.00 10.00 C ATOM 236 CE1 PHE A 15 6.110 -2.717 -1.922 1.00 10.00 C ATOM 237 CE2 PHE A 15 8.413 -2.983 -2.669 1.00 10.00 C ATOM 238 CZ PHE A 15 7.484 -2.770 -1.635 1.00 10.00 C ATOM 0 H PHE A 15 5.137 -3.493 -7.940 1.00 10.00 H new ATOM 0 HA PHE A 15 4.783 -1.659 -5.766 1.00 10.00 H new ATOM 0 HB2 PHE A 15 5.312 -4.141 -5.656 1.00 10.00 H new ATOM 0 HB3 PHE A 15 6.909 -3.784 -6.283 1.00 10.00 H new ATOM 0 HD1 PHE A 15 4.605 -2.851 -3.463 1.00 10.00 H new ATOM 0 HD2 PHE A 15 8.678 -3.303 -4.788 1.00 10.00 H new ATOM 0 HE1 PHE A 15 5.398 -2.542 -1.129 1.00 10.00 H new ATOM 0 HE2 PHE A 15 9.470 -3.018 -2.448 1.00 10.00 H new ATOM 0 HZ PHE A 15 7.828 -2.647 -0.619 1.00 10.00 H new ATOM 248 N GLN A 16 7.241 -1.108 -7.808 1.00 10.00 N ATOM 249 CA GLN A 16 8.182 -0.097 -8.287 1.00 10.00 C ATOM 250 C GLN A 16 7.522 1.233 -8.709 1.00 10.00 C ATOM 251 O GLN A 16 8.232 2.198 -8.994 1.00 10.00 O ATOM 252 CB GLN A 16 8.996 -0.730 -9.431 1.00 10.00 C ATOM 253 CG GLN A 16 9.906 -1.882 -8.961 1.00 10.00 C ATOM 254 CD GLN A 16 10.865 -1.450 -7.854 1.00 10.00 C ATOM 255 OE1 GLN A 16 10.535 -1.455 -6.674 1.00 10.00 O ATOM 256 NE2 GLN A 16 12.057 -1.004 -8.187 1.00 10.00 N ATOM 0 H GLN A 16 7.081 -1.851 -8.488 1.00 10.00 H new ATOM 0 HA GLN A 16 8.833 0.192 -7.462 1.00 10.00 H new ATOM 0 HB2 GLN A 16 8.311 -1.103 -10.192 1.00 10.00 H new ATOM 0 HB3 GLN A 16 9.608 0.039 -9.902 1.00 10.00 H new ATOM 0 HG2 GLN A 16 9.289 -2.706 -8.603 1.00 10.00 H new ATOM 0 HG3 GLN A 16 10.479 -2.258 -9.809 1.00 10.00 H new ATOM 0 HE21 GLN A 16 12.343 -0.995 -9.166 1.00 10.00 H new ATOM 0 HE22 GLN A 16 12.695 -0.667 -7.466 1.00 10.00 H new ATOM 265 N GLN A 17 6.184 1.322 -8.714 1.00 10.00 N ATOM 266 CA GLN A 17 5.429 2.500 -9.162 1.00 10.00 C ATOM 267 C GLN A 17 4.483 3.059 -8.088 1.00 10.00 C ATOM 268 O GLN A 17 4.496 4.264 -7.856 1.00 10.00 O ATOM 269 CB GLN A 17 4.657 2.145 -10.442 1.00 10.00 C ATOM 270 CG GLN A 17 5.605 1.803 -11.601 1.00 10.00 C ATOM 271 CD GLN A 17 4.840 1.468 -12.878 1.00 10.00 C ATOM 272 OE1 GLN A 17 4.402 2.333 -13.628 1.00 10.00 O ATOM 273 NE2 GLN A 17 4.647 0.199 -13.173 1.00 10.00 N ATOM 0 H GLN A 17 5.584 0.560 -8.400 1.00 10.00 H new ATOM 0 HA GLN A 17 6.147 3.295 -9.365 1.00 10.00 H new ATOM 0 HB2 GLN A 17 4.000 1.297 -10.247 1.00 10.00 H new ATOM 0 HB3 GLN A 17 4.021 2.983 -10.727 1.00 10.00 H new ATOM 0 HG2 GLN A 17 6.271 2.646 -11.787 1.00 10.00 H new ATOM 0 HG3 GLN A 17 6.232 0.957 -11.320 1.00 10.00 H new ATOM 0 HE21 GLN A 17 5.007 -0.529 -12.556 1.00 10.00 H new ATOM 0 HE22 GLN A 17 4.137 -0.056 -14.019 1.00 10.00 H new ATOM 282 N MET A 18 3.714 2.224 -7.377 1.00 10.00 N ATOM 283 CA MET A 18 2.730 2.669 -6.379 1.00 10.00 C ATOM 284 C MET A 18 3.329 3.515 -5.246 1.00 10.00 C ATOM 285 O MET A 18 2.722 4.487 -4.805 1.00 10.00 O ATOM 286 CB MET A 18 1.971 1.445 -5.848 1.00 10.00 C ATOM 287 CG MET A 18 2.832 0.473 -5.016 1.00 10.00 C ATOM 288 SD MET A 18 1.995 -0.962 -4.274 1.00 10.00 S ATOM 289 CE MET A 18 1.449 -1.883 -5.736 1.00 10.00 C ATOM 0 H MET A 18 3.757 1.210 -7.479 1.00 10.00 H new ATOM 0 HA MET A 18 2.035 3.345 -6.877 1.00 10.00 H new ATOM 0 HB2 MET A 18 1.137 1.788 -5.236 1.00 10.00 H new ATOM 0 HB3 MET A 18 1.545 0.902 -6.692 1.00 10.00 H new ATOM 0 HG2 MET A 18 3.634 0.102 -5.655 1.00 10.00 H new ATOM 0 HG3 MET A 18 3.301 1.042 -4.213 1.00 10.00 H new ATOM 0 HE1 MET A 18 0.360 -1.885 -5.779 1.00 10.00 H new ATOM 0 HE2 MET A 18 1.847 -1.410 -6.634 1.00 10.00 H new ATOM 0 HE3 MET A 18 1.812 -2.909 -5.676 1.00 10.00 H new ATOM 299 N ARG A 19 4.555 3.201 -4.815 1.00 10.00 N ATOM 300 CA ARG A 19 5.268 3.910 -3.735 1.00 10.00 C ATOM 301 C ARG A 19 5.674 5.327 -4.139 1.00 10.00 C ATOM 302 O ARG A 19 5.632 6.240 -3.315 1.00 10.00 O ATOM 303 CB ARG A 19 6.504 3.085 -3.327 1.00 10.00 C ATOM 304 CG ARG A 19 6.134 1.629 -2.992 1.00 10.00 C ATOM 305 CD ARG A 19 7.302 0.876 -2.332 1.00 10.00 C ATOM 306 NE ARG A 19 8.288 0.397 -3.327 1.00 10.00 N ATOM 307 CZ ARG A 19 9.579 0.179 -3.142 1.00 10.00 C ATOM 308 NH1 ARG A 19 10.204 0.488 -2.043 1.00 10.00 N ATOM 309 NH2 ARG A 19 10.309 -0.363 -4.074 1.00 10.00 N ATOM 0 H ARG A 19 5.095 2.432 -5.212 1.00 10.00 H new ATOM 0 HA ARG A 19 4.591 4.013 -2.887 1.00 10.00 H new ATOM 0 HB2 ARG A 19 7.233 3.098 -4.137 1.00 10.00 H new ATOM 0 HB3 ARG A 19 6.980 3.547 -2.462 1.00 10.00 H new ATOM 0 HG2 ARG A 19 5.272 1.618 -2.325 1.00 10.00 H new ATOM 0 HG3 ARG A 19 5.838 1.111 -3.904 1.00 10.00 H new ATOM 0 HD2 ARG A 19 7.798 1.532 -1.617 1.00 10.00 H new ATOM 0 HD3 ARG A 19 6.914 0.027 -1.769 1.00 10.00 H new ATOM 0 HE ARG A 19 7.930 0.214 -4.264 1.00 10.00 H new ATOM 0 HH11 ARG A 19 9.696 0.920 -1.272 1.00 10.00 H new ATOM 0 HH12 ARG A 19 11.202 0.298 -1.953 1.00 10.00 H new ATOM 0 HH21 ARG A 19 9.886 -0.627 -4.964 1.00 10.00 H new ATOM 0 HH22 ARG A 19 11.303 -0.524 -3.914 1.00 10.00 H new ATOM 323 N GLN A 20 5.965 5.531 -5.425 1.00 10.00 N ATOM 324 CA GLN A 20 6.225 6.858 -6.005 1.00 10.00 C ATOM 325 C GLN A 20 5.005 7.781 -5.897 1.00 10.00 C ATOM 326 O GLN A 20 5.156 8.998 -5.797 1.00 10.00 O ATOM 327 CB GLN A 20 6.615 6.769 -7.490 1.00 10.00 C ATOM 328 CG GLN A 20 7.821 5.859 -7.786 1.00 10.00 C ATOM 329 CD GLN A 20 8.296 5.978 -9.239 1.00 10.00 C ATOM 330 OE1 GLN A 20 8.448 7.060 -9.793 1.00 10.00 O ATOM 331 NE2 GLN A 20 8.555 4.884 -9.924 1.00 10.00 N ATOM 0 H GLN A 20 6.028 4.773 -6.104 1.00 10.00 H new ATOM 0 HA GLN A 20 7.053 7.270 -5.428 1.00 10.00 H new ATOM 0 HB2 GLN A 20 5.757 6.407 -8.056 1.00 10.00 H new ATOM 0 HB3 GLN A 20 6.836 7.772 -7.854 1.00 10.00 H new ATOM 0 HG2 GLN A 20 8.641 6.117 -7.116 1.00 10.00 H new ATOM 0 HG3 GLN A 20 7.552 4.823 -7.578 1.00 10.00 H new ATOM 0 HE21 GLN A 20 8.437 3.969 -9.488 1.00 10.00 H new ATOM 0 HE22 GLN A 20 8.873 4.951 -10.891 1.00 10.00 H new ATOM 340 N ILE A 21 3.794 7.214 -5.916 1.00 10.00 N ATOM 341 CA ILE A 21 2.539 7.956 -5.781 1.00 10.00 C ATOM 342 C ILE A 21 2.391 8.463 -4.340 1.00 10.00 C ATOM 343 O ILE A 21 2.121 9.641 -4.098 1.00 10.00 O ATOM 344 CB ILE A 21 1.323 7.074 -6.172 1.00 10.00 C ATOM 345 CG1 ILE A 21 1.600 6.266 -7.460 1.00 10.00 C ATOM 346 CG2 ILE A 21 0.086 7.972 -6.323 1.00 10.00 C ATOM 347 CD1 ILE A 21 0.436 5.401 -7.955 1.00 10.00 C ATOM 0 H ILE A 21 3.658 6.209 -6.028 1.00 10.00 H new ATOM 0 HA ILE A 21 2.565 8.807 -6.461 1.00 10.00 H new ATOM 0 HB ILE A 21 1.141 6.344 -5.384 1.00 10.00 H new ATOM 0 HG12 ILE A 21 1.877 6.961 -8.253 1.00 10.00 H new ATOM 0 HG13 ILE A 21 2.462 5.621 -7.286 1.00 10.00 H new ATOM 0 HG21 ILE A 21 -0.775 7.362 -6.598 1.00 10.00 H new ATOM 0 HG22 ILE A 21 -0.114 8.478 -5.378 1.00 10.00 H new ATOM 0 HG23 ILE A 21 0.268 8.714 -7.100 1.00 10.00 H new ATOM 0 HD11 ILE A 21 0.733 4.876 -8.863 1.00 10.00 H new ATOM 0 HD12 ILE A 21 0.170 4.675 -7.187 1.00 10.00 H new ATOM 0 HD13 ILE A 21 -0.424 6.036 -8.168 1.00 10.00 H new ATOM 359 N ILE A 22 2.636 7.576 -3.371 1.00 10.00 N ATOM 360 CA ILE A 22 2.489 7.850 -1.927 1.00 10.00 C ATOM 361 C ILE A 22 3.538 8.863 -1.441 1.00 10.00 C ATOM 362 O ILE A 22 3.251 9.708 -0.595 1.00 10.00 O ATOM 363 CB ILE A 22 2.547 6.530 -1.121 1.00 10.00 C ATOM 364 CG1 ILE A 22 1.552 5.455 -1.623 1.00 10.00 C ATOM 365 CG2 ILE A 22 2.279 6.758 0.377 1.00 10.00 C ATOM 366 CD1 ILE A 22 0.148 5.964 -1.970 1.00 10.00 C ATOM 0 H ILE A 22 2.949 6.625 -3.566 1.00 10.00 H new ATOM 0 HA ILE A 22 1.512 8.302 -1.759 1.00 10.00 H new ATOM 0 HB ILE A 22 3.563 6.165 -1.274 1.00 10.00 H new ATOM 0 HG12 ILE A 22 1.975 4.978 -2.507 1.00 10.00 H new ATOM 0 HG13 ILE A 22 1.461 4.684 -0.858 1.00 10.00 H new ATOM 0 HG21 ILE A 22 2.329 5.806 0.905 1.00 10.00 H new ATOM 0 HG22 ILE A 22 3.029 7.437 0.782 1.00 10.00 H new ATOM 0 HG23 ILE A 22 1.288 7.193 0.507 1.00 10.00 H new ATOM 0 HD11 ILE A 22 -0.467 5.131 -2.310 1.00 10.00 H new ATOM 0 HD12 ILE A 22 -0.305 6.412 -1.086 1.00 10.00 H new ATOM 0 HD13 ILE A 22 0.217 6.711 -2.761 1.00 10.00 H new ATOM 378 N GLN A 23 4.724 8.852 -2.052 1.00 10.00 N ATOM 379 CA GLN A 23 5.797 9.841 -1.875 1.00 10.00 C ATOM 380 C GLN A 23 5.459 11.271 -2.372 1.00 10.00 C ATOM 381 O GLN A 23 6.272 12.183 -2.205 1.00 10.00 O ATOM 382 CB GLN A 23 7.056 9.276 -2.556 1.00 10.00 C ATOM 383 CG GLN A 23 7.700 8.192 -1.674 1.00 10.00 C ATOM 384 CD GLN A 23 8.834 7.433 -2.362 1.00 10.00 C ATOM 385 OE1 GLN A 23 9.628 7.966 -3.128 1.00 10.00 O ATOM 386 NE2 GLN A 23 8.961 6.155 -2.087 1.00 10.00 N ATOM 0 H GLN A 23 4.978 8.120 -2.716 1.00 10.00 H new ATOM 0 HA GLN A 23 5.954 9.984 -0.806 1.00 10.00 H new ATOM 0 HB2 GLN A 23 6.795 8.856 -3.527 1.00 10.00 H new ATOM 0 HB3 GLN A 23 7.771 10.079 -2.737 1.00 10.00 H new ATOM 0 HG2 GLN A 23 8.084 8.656 -0.766 1.00 10.00 H new ATOM 0 HG3 GLN A 23 6.932 7.481 -1.368 1.00 10.00 H new ATOM 0 HE21 GLN A 23 8.305 5.703 -1.450 1.00 10.00 H new ATOM 0 HE22 GLN A 23 9.716 5.615 -2.510 1.00 10.00 H new ATOM 395 N GLN A 24 4.266 11.491 -2.939 1.00 10.00 N ATOM 396 CA GLN A 24 3.752 12.801 -3.394 1.00 10.00 C ATOM 397 C GLN A 24 2.373 13.102 -2.789 1.00 10.00 C ATOM 398 O GLN A 24 2.076 14.240 -2.423 1.00 10.00 O ATOM 399 CB GLN A 24 3.632 12.824 -4.929 1.00 10.00 C ATOM 400 CG GLN A 24 4.933 12.445 -5.634 1.00 10.00 C ATOM 401 CD GLN A 24 4.764 12.352 -7.148 1.00 10.00 C ATOM 402 OE1 GLN A 24 4.574 13.338 -7.851 1.00 10.00 O ATOM 403 NE2 GLN A 24 4.825 11.162 -7.708 1.00 10.00 N ATOM 0 H GLN A 24 3.601 10.735 -3.102 1.00 10.00 H new ATOM 0 HA GLN A 24 4.459 13.561 -3.062 1.00 10.00 H new ATOM 0 HB2 GLN A 24 2.844 12.136 -5.237 1.00 10.00 H new ATOM 0 HB3 GLN A 24 3.328 13.821 -5.250 1.00 10.00 H new ATOM 0 HG2 GLN A 24 5.699 13.184 -5.401 1.00 10.00 H new ATOM 0 HG3 GLN A 24 5.286 11.488 -5.250 1.00 10.00 H new ATOM 0 HE21 GLN A 24 4.983 10.335 -7.132 1.00 10.00 H new ATOM 0 HE22 GLN A 24 4.715 11.067 -8.718 1.00 10.00 H new ATOM 412 N ASN A 25 1.560 12.055 -2.633 1.00 10.00 N ATOM 413 CA ASN A 25 0.240 12.074 -1.999 1.00 10.00 C ATOM 414 C ASN A 25 0.099 10.941 -0.960 1.00 10.00 C ATOM 415 O ASN A 25 -0.491 9.896 -1.256 1.00 10.00 O ATOM 416 CB ASN A 25 -0.861 12.049 -3.079 1.00 10.00 C ATOM 417 CG ASN A 25 -1.234 13.447 -3.530 1.00 10.00 C ATOM 418 OD1 ASN A 25 -0.901 13.897 -4.618 1.00 10.00 O ATOM 419 ND2 ASN A 25 -1.940 14.179 -2.694 1.00 10.00 N ATOM 0 H ASN A 25 1.817 11.124 -2.962 1.00 10.00 H new ATOM 0 HA ASN A 25 0.123 13.002 -1.439 1.00 10.00 H new ATOM 0 HB2 ASN A 25 -0.517 11.469 -3.936 1.00 10.00 H new ATOM 0 HB3 ASN A 25 -1.744 11.545 -2.687 1.00 10.00 H new ATOM 0 HD21 ASN A 25 -2.213 15.127 -2.952 1.00 10.00 H new ATOM 0 HD22 ASN A 25 -2.214 13.798 -1.789 1.00 10.00 H new ATOM 426 N PRO A 26 0.593 11.130 0.282 1.00 10.00 N ATOM 427 CA PRO A 26 0.406 10.162 1.366 1.00 10.00 C ATOM 428 C PRO A 26 -1.071 9.996 1.769 1.00 10.00 C ATOM 429 O PRO A 26 -1.462 8.944 2.274 1.00 10.00 O ATOM 430 CB PRO A 26 1.275 10.672 2.519 1.00 10.00 C ATOM 431 CG PRO A 26 1.340 12.176 2.282 1.00 10.00 C ATOM 432 CD PRO A 26 1.344 12.285 0.761 1.00 10.00 C ATOM 0 HA PRO A 26 0.704 9.161 1.055 1.00 10.00 H new ATOM 0 HB2 PRO A 26 0.833 10.438 3.488 1.00 10.00 H new ATOM 0 HB3 PRO A 26 2.267 10.221 2.503 1.00 10.00 H new ATOM 0 HG2 PRO A 26 0.485 12.691 2.721 1.00 10.00 H new ATOM 0 HG3 PRO A 26 2.236 12.615 2.720 1.00 10.00 H new ATOM 0 HD2 PRO A 26 0.882 13.216 0.434 1.00 10.00 H new ATOM 0 HD3 PRO A 26 2.362 12.280 0.371 1.00 10.00 H new ATOM 440 N SER A 27 -1.916 10.987 1.459 1.00 10.00 N ATOM 441 CA SER A 27 -3.384 10.915 1.524 1.00 10.00 C ATOM 442 C SER A 27 -4.011 9.799 0.671 1.00 10.00 C ATOM 443 O SER A 27 -5.160 9.421 0.915 1.00 10.00 O ATOM 444 CB SER A 27 -3.974 12.271 1.115 1.00 10.00 C ATOM 445 OG SER A 27 -3.465 12.702 -0.145 1.00 10.00 O ATOM 0 H SER A 27 -1.584 11.898 1.143 1.00 10.00 H new ATOM 0 HA SER A 27 -3.629 10.668 2.557 1.00 10.00 H new ATOM 0 HB2 SER A 27 -5.060 12.196 1.064 1.00 10.00 H new ATOM 0 HB3 SER A 27 -3.741 13.015 1.877 1.00 10.00 H new ATOM 0 HG SER A 27 -3.861 13.568 -0.379 1.00 10.00 H new ATOM 451 N LEU A 28 -3.267 9.227 -0.287 1.00 10.00 N ATOM 452 CA LEU A 28 -3.702 8.118 -1.147 1.00 10.00 C ATOM 453 C LEU A 28 -3.098 6.757 -0.752 1.00 10.00 C ATOM 454 O LEU A 28 -3.321 5.772 -1.451 1.00 10.00 O ATOM 455 CB LEU A 28 -3.423 8.464 -2.623 1.00 10.00 C ATOM 456 CG LEU A 28 -4.166 9.704 -3.158 1.00 10.00 C ATOM 457 CD1 LEU A 28 -3.854 9.855 -4.646 1.00 10.00 C ATOM 458 CD2 LEU A 28 -5.688 9.617 -3.009 1.00 10.00 C ATOM 0 H LEU A 28 -2.316 9.534 -0.491 1.00 10.00 H new ATOM 0 HA LEU A 28 -4.776 8.000 -1.004 1.00 10.00 H new ATOM 0 HB2 LEU A 28 -2.351 8.621 -2.746 1.00 10.00 H new ATOM 0 HB3 LEU A 28 -3.692 7.605 -3.238 1.00 10.00 H new ATOM 0 HG LEU A 28 -3.823 10.554 -2.568 1.00 10.00 H new ATOM 0 HD11 LEU A 28 -4.373 10.729 -5.040 1.00 10.00 H new ATOM 0 HD12 LEU A 28 -2.780 9.979 -4.782 1.00 10.00 H new ATOM 0 HD13 LEU A 28 -4.187 8.965 -5.180 1.00 10.00 H new ATOM 0 HD21 LEU A 28 -6.145 10.523 -3.406 1.00 10.00 H new ATOM 0 HD22 LEU A 28 -6.059 8.752 -3.560 1.00 10.00 H new ATOM 0 HD23 LEU A 28 -5.945 9.513 -1.955 1.00 10.00 H new ATOM 470 N LEU A 29 -2.388 6.653 0.378 1.00 10.00 N ATOM 471 CA LEU A 29 -2.042 5.358 0.986 1.00 10.00 C ATOM 472 C LEU A 29 -3.289 4.480 1.256 1.00 10.00 C ATOM 473 O LEU A 29 -3.319 3.344 0.773 1.00 10.00 O ATOM 474 CB LEU A 29 -1.173 5.603 2.235 1.00 10.00 C ATOM 475 CG LEU A 29 -0.789 4.340 3.028 1.00 10.00 C ATOM 476 CD1 LEU A 29 -0.120 3.285 2.151 1.00 10.00 C ATOM 477 CD2 LEU A 29 0.179 4.710 4.154 1.00 10.00 C ATOM 0 H LEU A 29 -2.038 7.459 0.896 1.00 10.00 H new ATOM 0 HA LEU A 29 -1.453 4.774 0.279 1.00 10.00 H new ATOM 0 HB2 LEU A 29 -0.259 6.111 1.927 1.00 10.00 H new ATOM 0 HB3 LEU A 29 -1.706 6.282 2.901 1.00 10.00 H new ATOM 0 HG LEU A 29 -1.714 3.923 3.426 1.00 10.00 H new ATOM 0 HD11 LEU A 29 0.131 2.414 2.757 1.00 10.00 H new ATOM 0 HD12 LEU A 29 -0.802 2.988 1.354 1.00 10.00 H new ATOM 0 HD13 LEU A 29 0.789 3.698 1.715 1.00 10.00 H new ATOM 0 HD21 LEU A 29 0.448 3.813 4.712 1.00 10.00 H new ATOM 0 HD22 LEU A 29 1.078 5.156 3.729 1.00 10.00 H new ATOM 0 HD23 LEU A 29 -0.299 5.425 4.824 1.00 10.00 H new ATOM 489 N PRO A 30 -4.356 4.988 1.913 1.00 10.00 N ATOM 490 CA PRO A 30 -5.653 4.305 1.995 1.00 10.00 C ATOM 491 C PRO A 30 -6.171 3.821 0.640 1.00 10.00 C ATOM 492 O PRO A 30 -6.578 2.673 0.472 1.00 10.00 O ATOM 493 CB PRO A 30 -6.625 5.337 2.574 1.00 10.00 C ATOM 494 CG PRO A 30 -5.769 6.388 3.264 1.00 10.00 C ATOM 495 CD PRO A 30 -4.357 6.205 2.712 1.00 10.00 C ATOM 0 HA PRO A 30 -5.555 3.410 2.609 1.00 10.00 H new ATOM 0 HB2 PRO A 30 -7.231 5.785 1.787 1.00 10.00 H new ATOM 0 HB3 PRO A 30 -7.313 4.871 3.280 1.00 10.00 H new ATOM 0 HG2 PRO A 30 -6.142 7.392 3.059 1.00 10.00 H new ATOM 0 HG3 PRO A 30 -5.786 6.257 4.346 1.00 10.00 H new ATOM 0 HD2 PRO A 30 -4.068 7.063 2.105 1.00 10.00 H new ATOM 0 HD3 PRO A 30 -3.634 6.131 3.524 1.00 10.00 H new ATOM 503 N ALA A 31 -6.102 4.715 -0.343 1.00 10.00 N ATOM 504 CA ALA A 31 -6.525 4.492 -1.716 1.00 10.00 C ATOM 505 C ALA A 31 -5.619 3.520 -2.506 1.00 10.00 C ATOM 506 O ALA A 31 -5.999 3.109 -3.604 1.00 10.00 O ATOM 507 CB ALA A 31 -6.639 5.870 -2.378 1.00 10.00 C ATOM 0 H ALA A 31 -5.733 5.654 -0.194 1.00 10.00 H new ATOM 0 HA ALA A 31 -7.489 3.983 -1.718 1.00 10.00 H new ATOM 0 HB1 ALA A 31 -6.955 5.751 -3.414 1.00 10.00 H new ATOM 0 HB2 ALA A 31 -7.373 6.472 -1.842 1.00 10.00 H new ATOM 0 HB3 ALA A 31 -5.670 6.369 -2.349 1.00 10.00 H new ATOM 513 N LEU A 32 -4.461 3.102 -1.971 1.00 10.00 N ATOM 514 CA LEU A 32 -3.590 2.088 -2.572 1.00 10.00 C ATOM 515 C LEU A 32 -3.797 0.734 -1.892 1.00 10.00 C ATOM 516 O LEU A 32 -3.913 -0.281 -2.572 1.00 10.00 O ATOM 517 CB LEU A 32 -2.135 2.558 -2.440 1.00 10.00 C ATOM 518 CG LEU A 32 -1.065 1.545 -2.881 1.00 10.00 C ATOM 519 CD1 LEU A 32 -1.280 1.081 -4.323 1.00 10.00 C ATOM 520 CD2 LEU A 32 0.316 2.188 -2.717 1.00 10.00 C ATOM 0 H LEU A 32 -4.100 3.469 -1.091 1.00 10.00 H new ATOM 0 HA LEU A 32 -3.835 1.962 -3.627 1.00 10.00 H new ATOM 0 HB2 LEU A 32 -2.012 3.468 -3.027 1.00 10.00 H new ATOM 0 HB3 LEU A 32 -1.951 2.823 -1.399 1.00 10.00 H new ATOM 0 HG LEU A 32 -1.140 0.657 -2.253 1.00 10.00 H new ATOM 0 HD11 LEU A 32 -0.503 0.367 -4.595 1.00 10.00 H new ATOM 0 HD12 LEU A 32 -2.257 0.606 -4.410 1.00 10.00 H new ATOM 0 HD13 LEU A 32 -1.233 1.940 -4.992 1.00 10.00 H new ATOM 0 HD21 LEU A 32 1.086 1.481 -3.026 1.00 10.00 H new ATOM 0 HD22 LEU A 32 0.376 3.083 -3.336 1.00 10.00 H new ATOM 0 HD23 LEU A 32 0.470 2.458 -1.672 1.00 10.00 H new ATOM 532 N LEU A 33 -3.949 0.725 -0.567 1.00 10.00 N ATOM 533 CA LEU A 33 -4.419 -0.437 0.190 1.00 10.00 C ATOM 534 C LEU A 33 -5.770 -0.931 -0.358 1.00 10.00 C ATOM 535 O LEU A 33 -5.948 -2.125 -0.595 1.00 10.00 O ATOM 536 CB LEU A 33 -4.494 -0.040 1.673 1.00 10.00 C ATOM 537 CG LEU A 33 -3.110 0.236 2.296 1.00 10.00 C ATOM 538 CD1 LEU A 33 -3.248 1.215 3.457 1.00 10.00 C ATOM 539 CD2 LEU A 33 -2.454 -1.051 2.794 1.00 10.00 C ATOM 0 H LEU A 33 -3.747 1.535 0.019 1.00 10.00 H new ATOM 0 HA LEU A 33 -3.727 -1.272 0.085 1.00 10.00 H new ATOM 0 HB2 LEU A 33 -5.115 0.850 1.774 1.00 10.00 H new ATOM 0 HB3 LEU A 33 -4.985 -0.837 2.232 1.00 10.00 H new ATOM 0 HG LEU A 33 -2.476 0.666 1.520 1.00 10.00 H new ATOM 0 HD11 LEU A 33 -2.267 1.405 3.892 1.00 10.00 H new ATOM 0 HD12 LEU A 33 -3.672 2.152 3.095 1.00 10.00 H new ATOM 0 HD13 LEU A 33 -3.905 0.789 4.216 1.00 10.00 H new ATOM 0 HD21 LEU A 33 -1.481 -0.819 3.227 1.00 10.00 H new ATOM 0 HD22 LEU A 33 -3.087 -1.513 3.551 1.00 10.00 H new ATOM 0 HD23 LEU A 33 -2.325 -1.740 1.959 1.00 10.00 H new ATOM 551 N GLN A 34 -6.683 -0.011 -0.685 1.00 10.00 N ATOM 552 CA GLN A 34 -7.928 -0.315 -1.399 1.00 10.00 C ATOM 553 C GLN A 34 -7.697 -0.948 -2.786 1.00 10.00 C ATOM 554 O GLN A 34 -8.462 -1.836 -3.169 1.00 10.00 O ATOM 555 CB GLN A 34 -8.767 0.974 -1.502 1.00 10.00 C ATOM 556 CG GLN A 34 -10.126 0.814 -2.209 1.00 10.00 C ATOM 557 CD GLN A 34 -11.070 -0.164 -1.509 1.00 10.00 C ATOM 558 OE1 GLN A 34 -11.883 0.204 -0.670 1.00 10.00 O ATOM 559 NE2 GLN A 34 -11.009 -1.442 -1.823 1.00 10.00 N ATOM 0 H GLN A 34 -6.577 0.978 -0.459 1.00 10.00 H new ATOM 0 HA GLN A 34 -8.469 -1.069 -0.828 1.00 10.00 H new ATOM 0 HB2 GLN A 34 -8.941 1.357 -0.497 1.00 10.00 H new ATOM 0 HB3 GLN A 34 -8.185 1.727 -2.034 1.00 10.00 H new ATOM 0 HG2 GLN A 34 -10.609 1.789 -2.274 1.00 10.00 H new ATOM 0 HG3 GLN A 34 -9.957 0.474 -3.231 1.00 10.00 H new ATOM 0 HE21 GLN A 34 -10.337 -1.764 -2.520 1.00 10.00 H new ATOM 0 HE22 GLN A 34 -11.633 -2.109 -1.369 1.00 10.00 H new ATOM 568 N GLN A 35 -6.663 -0.543 -3.536 1.00 10.00 N ATOM 569 CA GLN A 35 -6.400 -1.108 -4.874 1.00 10.00 C ATOM 570 C GLN A 35 -5.734 -2.486 -4.801 1.00 10.00 C ATOM 571 O GLN A 35 -6.085 -3.383 -5.571 1.00 10.00 O ATOM 572 CB GLN A 35 -5.547 -0.143 -5.713 1.00 10.00 C ATOM 573 CG GLN A 35 -6.379 1.035 -6.238 1.00 10.00 C ATOM 574 CD GLN A 35 -5.511 2.057 -6.971 1.00 10.00 C ATOM 575 OE1 GLN A 35 -5.166 1.907 -8.137 1.00 10.00 O ATOM 576 NE2 GLN A 35 -5.120 3.131 -6.319 1.00 10.00 N ATOM 0 H GLN A 35 -5.995 0.171 -3.244 1.00 10.00 H new ATOM 0 HA GLN A 35 -7.366 -1.241 -5.360 1.00 10.00 H new ATOM 0 HB2 GLN A 35 -4.722 0.234 -5.108 1.00 10.00 H new ATOM 0 HB3 GLN A 35 -5.107 -0.681 -6.552 1.00 10.00 H new ATOM 0 HG2 GLN A 35 -7.151 0.664 -6.912 1.00 10.00 H new ATOM 0 HG3 GLN A 35 -6.888 1.520 -5.406 1.00 10.00 H new ATOM 0 HE21 GLN A 35 -5.400 3.268 -5.348 1.00 10.00 H new ATOM 0 HE22 GLN A 35 -4.537 3.826 -6.785 1.00 10.00 H new ATOM 585 N ILE A 36 -4.852 -2.695 -3.821 1.00 10.00 N ATOM 586 CA ILE A 36 -4.344 -4.023 -3.460 1.00 10.00 C ATOM 587 C ILE A 36 -5.526 -4.923 -3.060 1.00 10.00 C ATOM 588 O ILE A 36 -5.608 -6.049 -3.530 1.00 10.00 O ATOM 589 CB ILE A 36 -3.267 -3.914 -2.361 1.00 10.00 C ATOM 590 CG1 ILE A 36 -2.063 -3.076 -2.860 1.00 10.00 C ATOM 591 CG2 ILE A 36 -2.767 -5.311 -1.925 1.00 10.00 C ATOM 592 CD1 ILE A 36 -1.215 -2.523 -1.713 1.00 10.00 C ATOM 0 H ILE A 36 -4.467 -1.942 -3.251 1.00 10.00 H new ATOM 0 HA ILE A 36 -3.853 -4.484 -4.317 1.00 10.00 H new ATOM 0 HB ILE A 36 -3.725 -3.421 -1.504 1.00 10.00 H new ATOM 0 HG12 ILE A 36 -1.437 -3.694 -3.504 1.00 10.00 H new ATOM 0 HG13 ILE A 36 -2.428 -2.249 -3.468 1.00 10.00 H new ATOM 0 HG21 ILE A 36 -2.009 -5.200 -1.150 1.00 10.00 H new ATOM 0 HG22 ILE A 36 -3.603 -5.891 -1.535 1.00 10.00 H new ATOM 0 HG23 ILE A 36 -2.336 -5.827 -2.783 1.00 10.00 H new ATOM 0 HD11 ILE A 36 -0.386 -1.944 -2.120 1.00 10.00 H new ATOM 0 HD12 ILE A 36 -1.830 -1.881 -1.082 1.00 10.00 H new ATOM 0 HD13 ILE A 36 -0.824 -3.349 -1.119 1.00 10.00 H new ATOM 604 N GLY A 37 -6.507 -4.422 -2.298 1.00 10.00 N ATOM 605 CA GLY A 37 -7.737 -5.154 -1.967 1.00 10.00 C ATOM 606 C GLY A 37 -8.613 -5.543 -3.169 1.00 10.00 C ATOM 607 O GLY A 37 -9.280 -6.579 -3.118 1.00 10.00 O ATOM 0 H GLY A 37 -6.469 -3.488 -1.890 1.00 10.00 H new ATOM 0 HA2 GLY A 37 -7.466 -6.061 -1.427 1.00 10.00 H new ATOM 0 HA3 GLY A 37 -8.332 -4.544 -1.287 1.00 10.00 H new ATOM 611 N ARG A 38 -8.606 -4.762 -4.259 1.00 10.00 N ATOM 612 CA ARG A 38 -9.314 -5.096 -5.512 1.00 10.00 C ATOM 613 C ARG A 38 -8.624 -6.201 -6.320 1.00 10.00 C ATOM 614 O ARG A 38 -9.299 -7.116 -6.791 1.00 10.00 O ATOM 615 CB ARG A 38 -9.499 -3.841 -6.381 1.00 10.00 C ATOM 616 CG ARG A 38 -10.548 -2.860 -5.838 1.00 10.00 C ATOM 617 CD ARG A 38 -11.978 -3.415 -5.812 1.00 10.00 C ATOM 618 NE ARG A 38 -12.446 -3.840 -7.148 1.00 10.00 N ATOM 619 CZ ARG A 38 -13.399 -4.715 -7.418 1.00 10.00 C ATOM 620 NH1 ARG A 38 -14.085 -5.311 -6.481 1.00 10.00 N ATOM 621 NH2 ARG A 38 -13.690 -5.010 -8.652 1.00 10.00 N ATOM 0 H ARG A 38 -8.106 -3.874 -4.300 1.00 10.00 H new ATOM 0 HA ARG A 38 -10.289 -5.484 -5.218 1.00 10.00 H new ATOM 0 HB2 ARG A 38 -8.543 -3.325 -6.466 1.00 10.00 H new ATOM 0 HB3 ARG A 38 -9.787 -4.146 -7.387 1.00 10.00 H new ATOM 0 HG2 ARG A 38 -10.266 -2.568 -4.827 1.00 10.00 H new ATOM 0 HG3 ARG A 38 -10.533 -1.956 -6.447 1.00 10.00 H new ATOM 0 HD2 ARG A 38 -12.023 -4.263 -5.129 1.00 10.00 H new ATOM 0 HD3 ARG A 38 -12.652 -2.654 -5.420 1.00 10.00 H new ATOM 0 HE ARG A 38 -11.983 -3.411 -7.949 1.00 10.00 H new ATOM 0 HH11 ARG A 38 -13.893 -5.107 -5.500 1.00 10.00 H new ATOM 0 HH12 ARG A 38 -14.813 -5.981 -6.730 1.00 10.00 H new ATOM 0 HH21 ARG A 38 -13.182 -4.565 -9.416 1.00 10.00 H new ATOM 0 HH22 ARG A 38 -14.426 -5.686 -8.855 1.00 10.00 H new ATOM 635 N GLU A 39 -7.302 -6.138 -6.488 1.00 10.00 N ATOM 636 CA GLU A 39 -6.541 -7.051 -7.343 1.00 10.00 C ATOM 637 C GLU A 39 -5.998 -8.293 -6.607 1.00 10.00 C ATOM 638 O GLU A 39 -5.887 -9.373 -7.194 1.00 10.00 O ATOM 639 CB GLU A 39 -5.367 -6.257 -7.927 1.00 10.00 C ATOM 640 CG GLU A 39 -5.804 -5.166 -8.915 1.00 10.00 C ATOM 641 CD GLU A 39 -4.610 -4.653 -9.746 1.00 10.00 C ATOM 642 OE1 GLU A 39 -3.680 -4.030 -9.180 1.00 10.00 O ATOM 643 OE2 GLU A 39 -4.597 -4.864 -10.986 1.00 10.00 O ATOM 0 H GLU A 39 -6.720 -5.439 -6.026 1.00 10.00 H new ATOM 0 HA GLU A 39 -7.216 -7.430 -8.110 1.00 10.00 H new ATOM 0 HB2 GLU A 39 -4.807 -5.797 -7.112 1.00 10.00 H new ATOM 0 HB3 GLU A 39 -4.688 -6.944 -8.432 1.00 10.00 H new ATOM 0 HG2 GLU A 39 -6.571 -5.561 -9.581 1.00 10.00 H new ATOM 0 HG3 GLU A 39 -6.253 -4.336 -8.369 1.00 10.00 H new ATOM 650 N ASN A 40 -5.677 -8.144 -5.321 1.00 10.00 N ATOM 651 CA ASN A 40 -4.977 -9.106 -4.466 1.00 10.00 C ATOM 652 C ASN A 40 -5.446 -8.984 -2.991 1.00 10.00 C ATOM 653 O ASN A 40 -4.643 -8.626 -2.122 1.00 10.00 O ATOM 654 CB ASN A 40 -3.457 -8.851 -4.535 1.00 10.00 C ATOM 655 CG ASN A 40 -2.755 -9.154 -5.840 1.00 10.00 C ATOM 656 OD1 ASN A 40 -2.829 -8.427 -6.821 1.00 10.00 O ATOM 657 ND2 ASN A 40 -1.954 -10.196 -5.848 1.00 10.00 N ATOM 0 H ASN A 40 -5.915 -7.291 -4.815 1.00 10.00 H new ATOM 0 HA ASN A 40 -5.206 -10.110 -4.825 1.00 10.00 H new ATOM 0 HB2 ASN A 40 -3.281 -7.803 -4.294 1.00 10.00 H new ATOM 0 HB3 ASN A 40 -2.981 -9.442 -3.752 1.00 10.00 H new ATOM 0 HD21 ASN A 40 -1.392 -10.401 -6.674 1.00 10.00 H new ATOM 0 HD22 ASN A 40 -1.895 -10.800 -5.028 1.00 10.00 H new ATOM 664 N PRO A 41 -6.715 -9.277 -2.645 1.00 10.00 N ATOM 665 CA PRO A 41 -7.194 -9.208 -1.258 1.00 10.00 C ATOM 666 C PRO A 41 -6.367 -10.049 -0.265 1.00 10.00 C ATOM 667 O PRO A 41 -6.322 -9.746 0.927 1.00 10.00 O ATOM 668 CB PRO A 41 -8.667 -9.625 -1.314 1.00 10.00 C ATOM 669 CG PRO A 41 -8.759 -10.461 -2.585 1.00 10.00 C ATOM 670 CD PRO A 41 -7.769 -9.768 -3.517 1.00 10.00 C ATOM 0 HA PRO A 41 -7.078 -8.198 -0.865 1.00 10.00 H new ATOM 0 HB2 PRO A 41 -8.954 -10.201 -0.434 1.00 10.00 H new ATOM 0 HB3 PRO A 41 -9.327 -8.759 -1.356 1.00 10.00 H new ATOM 0 HG2 PRO A 41 -8.486 -11.501 -2.406 1.00 10.00 H new ATOM 0 HG3 PRO A 41 -9.769 -10.463 -2.996 1.00 10.00 H new ATOM 0 HD2 PRO A 41 -7.376 -10.461 -4.261 1.00 10.00 H new ATOM 0 HD3 PRO A 41 -8.244 -8.952 -4.061 1.00 10.00 H new ATOM 678 N GLN A 42 -5.650 -11.064 -0.752 1.00 10.00 N ATOM 679 CA GLN A 42 -4.772 -11.943 0.027 1.00 10.00 C ATOM 680 C GLN A 42 -3.433 -11.278 0.359 1.00 10.00 C ATOM 681 O GLN A 42 -2.943 -11.391 1.484 1.00 10.00 O ATOM 682 CB GLN A 42 -4.510 -13.239 -0.759 1.00 10.00 C ATOM 683 CG GLN A 42 -5.787 -13.803 -1.405 1.00 10.00 C ATOM 684 CD GLN A 42 -5.953 -13.419 -2.880 1.00 10.00 C ATOM 685 OE1 GLN A 42 -5.598 -12.330 -3.317 1.00 10.00 O ATOM 686 NE2 GLN A 42 -6.505 -14.282 -3.705 1.00 10.00 N ATOM 0 H GLN A 42 -5.665 -11.307 -1.742 1.00 10.00 H new ATOM 0 HA GLN A 42 -5.280 -12.161 0.967 1.00 10.00 H new ATOM 0 HB2 GLN A 42 -3.769 -13.046 -1.535 1.00 10.00 H new ATOM 0 HB3 GLN A 42 -4.084 -13.987 -0.090 1.00 10.00 H new ATOM 0 HG2 GLN A 42 -5.777 -14.890 -1.321 1.00 10.00 H new ATOM 0 HG3 GLN A 42 -6.653 -13.448 -0.847 1.00 10.00 H new ATOM 0 HE21 GLN A 42 -6.807 -15.194 -3.362 1.00 10.00 H new ATOM 0 HE22 GLN A 42 -6.631 -14.040 -4.688 1.00 10.00 H new ATOM 695 N LEU A 43 -2.850 -10.546 -0.596 1.00 10.00 N ATOM 696 CA LEU A 43 -1.732 -9.637 -0.331 1.00 10.00 C ATOM 697 C LEU A 43 -2.172 -8.482 0.566 1.00 10.00 C ATOM 698 O LEU A 43 -1.380 -7.989 1.363 1.00 10.00 O ATOM 699 CB LEU A 43 -1.185 -9.088 -1.663 1.00 10.00 C ATOM 700 CG LEU A 43 0.053 -8.185 -1.535 1.00 10.00 C ATOM 701 CD1 LEU A 43 1.202 -8.839 -0.764 1.00 10.00 C ATOM 702 CD2 LEU A 43 0.551 -7.788 -2.923 1.00 10.00 C ATOM 0 H LEU A 43 -3.140 -10.568 -1.574 1.00 10.00 H new ATOM 0 HA LEU A 43 -0.948 -10.191 0.185 1.00 10.00 H new ATOM 0 HB2 LEU A 43 -0.937 -9.929 -2.311 1.00 10.00 H new ATOM 0 HB3 LEU A 43 -1.976 -8.526 -2.159 1.00 10.00 H new ATOM 0 HG LEU A 43 -0.262 -7.309 -0.968 1.00 10.00 H new ATOM 0 HD11 LEU A 43 2.044 -8.149 -0.710 1.00 10.00 H new ATOM 0 HD12 LEU A 43 0.870 -9.085 0.245 1.00 10.00 H new ATOM 0 HD13 LEU A 43 1.512 -9.750 -1.276 1.00 10.00 H new ATOM 0 HD21 LEU A 43 1.428 -7.148 -2.826 1.00 10.00 H new ATOM 0 HD22 LEU A 43 0.816 -8.684 -3.485 1.00 10.00 H new ATOM 0 HD23 LEU A 43 -0.235 -7.248 -3.451 1.00 10.00 H new ATOM 714 N LEU A 44 -3.436 -8.074 0.469 1.00 10.00 N ATOM 715 CA LEU A 44 -3.927 -6.926 1.244 1.00 10.00 C ATOM 716 C LEU A 44 -3.996 -7.258 2.734 1.00 10.00 C ATOM 717 O LEU A 44 -3.381 -6.593 3.564 1.00 10.00 O ATOM 718 CB LEU A 44 -5.297 -6.478 0.720 1.00 10.00 C ATOM 719 CG LEU A 44 -5.754 -5.072 1.158 1.00 10.00 C ATOM 720 CD1 LEU A 44 -6.775 -5.121 2.284 1.00 10.00 C ATOM 721 CD2 LEU A 44 -4.651 -4.081 1.545 1.00 10.00 C ATOM 0 H LEU A 44 -4.135 -8.513 -0.130 1.00 10.00 H new ATOM 0 HA LEU A 44 -3.223 -6.103 1.120 1.00 10.00 H new ATOM 0 HB2 LEU A 44 -5.277 -6.510 -0.369 1.00 10.00 H new ATOM 0 HB3 LEU A 44 -6.044 -7.201 1.047 1.00 10.00 H new ATOM 0 HG LEU A 44 -6.200 -4.687 0.241 1.00 10.00 H new ATOM 0 HD11 LEU A 44 -7.065 -4.106 2.556 1.00 10.00 H new ATOM 0 HD12 LEU A 44 -7.655 -5.674 1.954 1.00 10.00 H new ATOM 0 HD13 LEU A 44 -6.338 -5.618 3.150 1.00 10.00 H new ATOM 0 HD21 LEU A 44 -5.100 -3.131 1.833 1.00 10.00 H new ATOM 0 HD22 LEU A 44 -4.080 -4.481 2.383 1.00 10.00 H new ATOM 0 HD23 LEU A 44 -3.987 -3.925 0.695 1.00 10.00 H new ATOM 733 N GLN A 45 -4.685 -8.353 3.040 1.00 10.00 N ATOM 734 CA GLN A 45 -4.722 -8.963 4.379 1.00 10.00 C ATOM 735 C GLN A 45 -3.326 -9.274 4.962 1.00 10.00 C ATOM 736 O GLN A 45 -3.150 -9.242 6.180 1.00 10.00 O ATOM 737 CB GLN A 45 -5.591 -10.233 4.349 1.00 10.00 C ATOM 738 CG GLN A 45 -7.095 -9.937 4.200 1.00 10.00 C ATOM 739 CD GLN A 45 -7.681 -9.212 5.413 1.00 10.00 C ATOM 740 OE1 GLN A 45 -7.636 -9.683 6.543 1.00 10.00 O ATOM 741 NE2 GLN A 45 -8.255 -8.039 5.236 1.00 10.00 N ATOM 0 H GLN A 45 -5.247 -8.857 2.354 1.00 10.00 H new ATOM 0 HA GLN A 45 -5.163 -8.223 5.046 1.00 10.00 H new ATOM 0 HB2 GLN A 45 -5.269 -10.866 3.523 1.00 10.00 H new ATOM 0 HB3 GLN A 45 -5.428 -10.799 5.266 1.00 10.00 H new ATOM 0 HG2 GLN A 45 -7.254 -9.331 3.308 1.00 10.00 H new ATOM 0 HG3 GLN A 45 -7.631 -10.874 4.049 1.00 10.00 H new ATOM 0 HE21 GLN A 45 -8.302 -7.630 4.303 1.00 10.00 H new ATOM 0 HE22 GLN A 45 -8.652 -7.540 6.032 1.00 10.00 H new ATOM 750 N GLN A 46 -2.319 -9.559 4.131 1.00 10.00 N ATOM 751 CA GLN A 46 -0.922 -9.714 4.558 1.00 10.00 C ATOM 752 C GLN A 46 -0.202 -8.381 4.805 1.00 10.00 C ATOM 753 O GLN A 46 0.514 -8.251 5.798 1.00 10.00 O ATOM 754 CB GLN A 46 -0.182 -10.503 3.471 1.00 10.00 C ATOM 755 CG GLN A 46 -0.455 -12.005 3.610 1.00 10.00 C ATOM 756 CD GLN A 46 0.198 -12.804 2.488 1.00 10.00 C ATOM 757 OE1 GLN A 46 1.311 -13.305 2.598 1.00 10.00 O ATOM 758 NE2 GLN A 46 -0.470 -12.945 1.363 1.00 10.00 N ATOM 0 H GLN A 46 -2.451 -9.691 3.128 1.00 10.00 H new ATOM 0 HA GLN A 46 -0.923 -10.238 5.514 1.00 10.00 H new ATOM 0 HB2 GLN A 46 -0.500 -10.160 2.486 1.00 10.00 H new ATOM 0 HB3 GLN A 46 0.889 -10.315 3.544 1.00 10.00 H new ATOM 0 HG2 GLN A 46 -0.080 -12.355 4.572 1.00 10.00 H new ATOM 0 HG3 GLN A 46 -1.531 -12.181 3.604 1.00 10.00 H new ATOM 0 HE21 GLN A 46 -1.397 -12.531 1.265 1.00 10.00 H new ATOM 0 HE22 GLN A 46 -0.061 -13.469 0.589 1.00 10.00 H new ATOM 767 N ILE A 47 -0.388 -7.381 3.943 1.00 10.00 N ATOM 768 CA ILE A 47 0.170 -6.032 4.113 1.00 10.00 C ATOM 769 C ILE A 47 -0.414 -5.346 5.352 1.00 10.00 C ATOM 770 O ILE A 47 0.332 -4.714 6.097 1.00 10.00 O ATOM 771 CB ILE A 47 -0.027 -5.212 2.816 1.00 10.00 C ATOM 772 CG1 ILE A 47 1.034 -5.696 1.799 1.00 10.00 C ATOM 773 CG2 ILE A 47 0.091 -3.697 3.052 1.00 10.00 C ATOM 774 CD1 ILE A 47 0.901 -5.075 0.409 1.00 10.00 C ATOM 0 H ILE A 47 -0.940 -7.484 3.091 1.00 10.00 H new ATOM 0 HA ILE A 47 1.243 -6.104 4.289 1.00 10.00 H new ATOM 0 HB ILE A 47 -1.036 -5.373 2.437 1.00 10.00 H new ATOM 0 HG12 ILE A 47 2.026 -5.471 2.191 1.00 10.00 H new ATOM 0 HG13 ILE A 47 0.965 -6.780 1.708 1.00 10.00 H new ATOM 0 HG21 ILE A 47 -0.056 -3.169 2.109 1.00 10.00 H new ATOM 0 HG22 ILE A 47 -0.668 -3.380 3.767 1.00 10.00 H new ATOM 0 HG23 ILE A 47 1.080 -3.466 3.447 1.00 10.00 H new ATOM 0 HD11 ILE A 47 1.683 -5.468 -0.241 1.00 10.00 H new ATOM 0 HD12 ILE A 47 -0.076 -5.321 -0.008 1.00 10.00 H new ATOM 0 HD13 ILE A 47 1.001 -3.992 0.483 1.00 10.00 H new ATOM 786 N SER A 48 -1.711 -5.505 5.630 1.00 10.00 N ATOM 787 CA SER A 48 -2.351 -4.899 6.811 1.00 10.00 C ATOM 788 C SER A 48 -1.852 -5.505 8.131 1.00 10.00 C ATOM 789 O SER A 48 -1.696 -4.792 9.126 1.00 10.00 O ATOM 790 CB SER A 48 -3.879 -4.978 6.717 1.00 10.00 C ATOM 791 OG SER A 48 -4.333 -6.320 6.765 1.00 10.00 O ATOM 0 H SER A 48 -2.347 -6.053 5.050 1.00 10.00 H new ATOM 0 HA SER A 48 -2.060 -3.849 6.815 1.00 10.00 H new ATOM 0 HB2 SER A 48 -4.325 -4.412 7.535 1.00 10.00 H new ATOM 0 HB3 SER A 48 -4.212 -4.513 5.789 1.00 10.00 H new ATOM 0 HG SER A 48 -5.311 -6.337 6.704 1.00 10.00 H new ATOM 797 N GLN A 49 -1.502 -6.796 8.125 1.00 10.00 N ATOM 798 CA GLN A 49 -0.817 -7.502 9.217 1.00 10.00 C ATOM 799 C GLN A 49 0.638 -7.038 9.463 1.00 10.00 C ATOM 800 O GLN A 49 1.216 -7.378 10.498 1.00 10.00 O ATOM 801 CB GLN A 49 -0.878 -9.017 8.932 1.00 10.00 C ATOM 802 CG GLN A 49 -2.216 -9.611 9.394 1.00 10.00 C ATOM 803 CD GLN A 49 -2.304 -11.105 9.090 1.00 10.00 C ATOM 804 OE1 GLN A 49 -1.994 -11.961 9.911 1.00 10.00 O ATOM 805 NE2 GLN A 49 -2.723 -11.476 7.900 1.00 10.00 N ATOM 0 H GLN A 49 -1.695 -7.403 7.328 1.00 10.00 H new ATOM 0 HA GLN A 49 -1.340 -7.259 10.142 1.00 10.00 H new ATOM 0 HB2 GLN A 49 -0.746 -9.195 7.865 1.00 10.00 H new ATOM 0 HB3 GLN A 49 -0.057 -9.520 9.443 1.00 10.00 H new ATOM 0 HG2 GLN A 49 -2.336 -9.450 10.465 1.00 10.00 H new ATOM 0 HG3 GLN A 49 -3.036 -9.090 8.900 1.00 10.00 H new ATOM 0 HE21 GLN A 49 -2.984 -10.773 7.209 1.00 10.00 H new ATOM 0 HE22 GLN A 49 -2.787 -12.467 7.668 1.00 10.00 H new ATOM 814 N HIS A 50 1.224 -6.242 8.558 1.00 10.00 N ATOM 815 CA HIS A 50 2.628 -5.798 8.592 1.00 10.00 C ATOM 816 C HIS A 50 2.788 -4.317 8.181 1.00 10.00 C ATOM 817 O HIS A 50 3.832 -3.914 7.663 1.00 10.00 O ATOM 818 CB HIS A 50 3.463 -6.730 7.694 1.00 10.00 C ATOM 819 CG HIS A 50 3.396 -8.189 8.077 1.00 10.00 C ATOM 820 ND1 HIS A 50 2.617 -9.147 7.472 1.00 10.00 N ATOM 821 CD2 HIS A 50 4.070 -8.807 9.097 1.00 10.00 C ATOM 822 CE1 HIS A 50 2.818 -10.317 8.102 1.00 10.00 C ATOM 823 NE2 HIS A 50 3.705 -10.161 9.102 1.00 10.00 N ATOM 0 H HIS A 50 0.717 -5.875 7.753 1.00 10.00 H new ATOM 0 HA HIS A 50 2.990 -5.859 9.618 1.00 10.00 H new ATOM 0 HB2 HIS A 50 3.124 -6.621 6.664 1.00 10.00 H new ATOM 0 HB3 HIS A 50 4.503 -6.407 7.723 1.00 10.00 H new ATOM 0 HD1 HIS A 50 1.993 -8.995 6.680 1.00 10.00 H new ATOM 0 HD2 HIS A 50 4.762 -8.334 9.778 1.00 10.00 H new ATOM 0 HE1 HIS A 50 2.337 -11.249 7.843 1.00 10.00 H new ATOM 831 N GLN A 51 1.746 -3.495 8.359 1.00 10.00 N ATOM 832 CA GLN A 51 1.627 -2.187 7.704 1.00 10.00 C ATOM 833 C GLN A 51 2.689 -1.154 8.134 1.00 10.00 C ATOM 834 O GLN A 51 3.009 -0.246 7.370 1.00 10.00 O ATOM 835 CB GLN A 51 0.194 -1.659 7.895 1.00 10.00 C ATOM 836 CG GLN A 51 -0.226 -0.749 6.734 1.00 10.00 C ATOM 837 CD GLN A 51 -1.688 -0.319 6.845 1.00 10.00 C ATOM 838 OE1 GLN A 51 -2.613 -1.116 6.747 1.00 10.00 O ATOM 839 NE2 GLN A 51 -1.962 0.953 7.059 1.00 10.00 N ATOM 0 H GLN A 51 0.957 -3.721 8.965 1.00 10.00 H new ATOM 0 HA GLN A 51 1.829 -2.339 6.644 1.00 10.00 H new ATOM 0 HB2 GLN A 51 -0.498 -2.498 7.970 1.00 10.00 H new ATOM 0 HB3 GLN A 51 0.130 -1.108 8.833 1.00 10.00 H new ATOM 0 HG2 GLN A 51 0.412 0.135 6.717 1.00 10.00 H new ATOM 0 HG3 GLN A 51 -0.072 -1.271 5.790 1.00 10.00 H new ATOM 0 HE21 GLN A 51 -1.204 1.631 7.143 1.00 10.00 H new ATOM 0 HE22 GLN A 51 -2.932 1.259 7.140 1.00 10.00 H new ATOM 848 N GLU A 52 3.299 -1.312 9.312 1.00 10.00 N ATOM 849 CA GLU A 52 4.475 -0.522 9.717 1.00 10.00 C ATOM 850 C GLU A 52 5.684 -0.784 8.801 1.00 10.00 C ATOM 851 O GLU A 52 6.356 0.154 8.375 1.00 10.00 O ATOM 852 CB GLU A 52 4.848 -0.831 11.175 1.00 10.00 C ATOM 853 CG GLU A 52 3.772 -0.371 12.168 1.00 10.00 C ATOM 854 CD GLU A 52 4.210 -0.635 13.621 1.00 10.00 C ATOM 855 OE1 GLU A 52 4.861 0.246 14.235 1.00 10.00 O ATOM 856 OE2 GLU A 52 3.902 -1.724 14.166 1.00 10.00 O ATOM 0 H GLU A 52 2.996 -1.988 10.013 1.00 10.00 H new ATOM 0 HA GLU A 52 4.208 0.531 9.625 1.00 10.00 H new ATOM 0 HB2 GLU A 52 5.006 -1.904 11.287 1.00 10.00 H new ATOM 0 HB3 GLU A 52 5.792 -0.343 11.416 1.00 10.00 H new ATOM 0 HG2 GLU A 52 3.577 0.693 12.031 1.00 10.00 H new ATOM 0 HG3 GLU A 52 2.838 -0.895 11.965 1.00 10.00 H new ATOM 863 N HIS A 53 5.930 -2.046 8.432 1.00 10.00 N ATOM 864 CA HIS A 53 6.985 -2.424 7.488 1.00 10.00 C ATOM 865 C HIS A 53 6.641 -2.027 6.045 1.00 10.00 C ATOM 866 O HIS A 53 7.529 -1.631 5.290 1.00 10.00 O ATOM 867 CB HIS A 53 7.267 -3.929 7.592 1.00 10.00 C ATOM 868 CG HIS A 53 7.672 -4.354 8.983 1.00 10.00 C ATOM 869 ND1 HIS A 53 8.679 -3.801 9.742 1.00 10.00 N ATOM 870 CD2 HIS A 53 7.081 -5.325 9.747 1.00 10.00 C ATOM 871 CE1 HIS A 53 8.705 -4.428 10.928 1.00 10.00 C ATOM 872 NE2 HIS A 53 7.747 -5.373 10.980 1.00 10.00 N ATOM 0 H HIS A 53 5.396 -2.841 8.784 1.00 10.00 H new ATOM 0 HA HIS A 53 7.886 -1.874 7.758 1.00 10.00 H new ATOM 0 HB2 HIS A 53 6.377 -4.482 7.293 1.00 10.00 H new ATOM 0 HB3 HIS A 53 8.058 -4.195 6.891 1.00 10.00 H new ATOM 0 HD1 HIS A 53 9.299 -3.045 9.452 1.00 10.00 H new ATOM 0 HD2 HIS A 53 6.248 -5.945 9.451 1.00 10.00 H new ATOM 0 HE1 HIS A 53 9.396 -4.206 11.728 1.00 10.00 H new ATOM 880 N PHE A 54 5.354 -2.047 5.676 1.00 10.00 N ATOM 881 CA PHE A 54 4.878 -1.436 4.430 1.00 10.00 C ATOM 882 C PHE A 54 5.223 0.050 4.385 1.00 10.00 C ATOM 883 O PHE A 54 5.865 0.462 3.427 1.00 10.00 O ATOM 884 CB PHE A 54 3.377 -1.711 4.240 1.00 10.00 C ATOM 885 CG PHE A 54 2.794 -1.356 2.880 1.00 10.00 C ATOM 886 CD1 PHE A 54 3.381 -1.843 1.694 1.00 10.00 C ATOM 887 CD2 PHE A 54 1.606 -0.600 2.802 1.00 10.00 C ATOM 888 CE1 PHE A 54 2.799 -1.556 0.445 1.00 10.00 C ATOM 889 CE2 PHE A 54 1.015 -0.330 1.553 1.00 10.00 C ATOM 890 CZ PHE A 54 1.618 -0.798 0.373 1.00 10.00 C ATOM 0 H PHE A 54 4.618 -2.485 6.230 1.00 10.00 H new ATOM 0 HA PHE A 54 5.394 -1.895 3.586 1.00 10.00 H new ATOM 0 HB2 PHE A 54 3.197 -2.770 4.423 1.00 10.00 H new ATOM 0 HB3 PHE A 54 2.829 -1.158 5.002 1.00 10.00 H new ATOM 0 HD1 PHE A 54 4.281 -2.438 1.744 1.00 10.00 H new ATOM 0 HD2 PHE A 54 1.147 -0.226 3.705 1.00 10.00 H new ATOM 0 HE1 PHE A 54 3.262 -1.919 -0.461 1.00 10.00 H new ATOM 0 HE2 PHE A 54 0.097 0.237 1.502 1.00 10.00 H new ATOM 0 HZ PHE A 54 1.175 -0.576 -0.587 1.00 10.00 H new ATOM 900 N ILE A 55 4.923 0.827 5.433 1.00 10.00 N ATOM 901 CA ILE A 55 5.326 2.241 5.551 1.00 10.00 C ATOM 902 C ILE A 55 6.855 2.420 5.463 1.00 10.00 C ATOM 903 O ILE A 55 7.319 3.308 4.750 1.00 10.00 O ATOM 904 CB ILE A 55 4.686 2.891 6.792 1.00 10.00 C ATOM 905 CG1 ILE A 55 3.184 3.093 6.476 1.00 10.00 C ATOM 906 CG2 ILE A 55 5.355 4.233 7.169 1.00 10.00 C ATOM 907 CD1 ILE A 55 2.351 3.492 7.690 1.00 10.00 C ATOM 0 H ILE A 55 4.388 0.491 6.234 1.00 10.00 H new ATOM 0 HA ILE A 55 4.936 2.783 4.689 1.00 10.00 H new ATOM 0 HB ILE A 55 4.824 2.241 7.656 1.00 10.00 H new ATOM 0 HG12 ILE A 55 3.083 3.861 5.709 1.00 10.00 H new ATOM 0 HG13 ILE A 55 2.782 2.170 6.058 1.00 10.00 H new ATOM 0 HG21 ILE A 55 4.866 4.649 8.050 1.00 10.00 H new ATOM 0 HG22 ILE A 55 6.410 4.066 7.385 1.00 10.00 H new ATOM 0 HG23 ILE A 55 5.261 4.932 6.338 1.00 10.00 H new ATOM 0 HD11 ILE A 55 1.310 3.616 7.392 1.00 10.00 H new ATOM 0 HD12 ILE A 55 2.421 2.714 8.451 1.00 10.00 H new ATOM 0 HD13 ILE A 55 2.726 4.431 8.096 1.00 10.00 H new ATOM 919 N GLN A 56 7.657 1.560 6.103 1.00 10.00 N ATOM 920 CA GLN A 56 9.125 1.613 5.997 1.00 10.00 C ATOM 921 C GLN A 56 9.637 1.404 4.555 1.00 10.00 C ATOM 922 O GLN A 56 10.534 2.128 4.118 1.00 10.00 O ATOM 923 CB GLN A 56 9.773 0.600 6.956 1.00 10.00 C ATOM 924 CG GLN A 56 9.661 1.032 8.428 1.00 10.00 C ATOM 925 CD GLN A 56 10.191 -0.026 9.398 1.00 10.00 C ATOM 926 OE1 GLN A 56 9.847 -1.200 9.350 1.00 10.00 O ATOM 927 NE2 GLN A 56 11.055 0.338 10.325 1.00 10.00 N ATOM 0 H GLN A 56 7.312 0.812 6.705 1.00 10.00 H new ATOM 0 HA GLN A 56 9.421 2.621 6.286 1.00 10.00 H new ATOM 0 HB2 GLN A 56 9.298 -0.373 6.828 1.00 10.00 H new ATOM 0 HB3 GLN A 56 10.824 0.478 6.695 1.00 10.00 H new ATOM 0 HG2 GLN A 56 10.214 1.960 8.573 1.00 10.00 H new ATOM 0 HG3 GLN A 56 8.617 1.243 8.662 1.00 10.00 H new ATOM 0 HE21 GLN A 56 11.358 1.310 10.386 1.00 10.00 H new ATOM 0 HE22 GLN A 56 11.421 -0.352 10.981 1.00 10.00 H new ATOM 936 N MET A 57 9.058 0.468 3.790 1.00 10.00 N ATOM 937 CA MET A 57 9.395 0.248 2.369 1.00 10.00 C ATOM 938 C MET A 57 8.786 1.304 1.425 1.00 10.00 C ATOM 939 O MET A 57 9.351 1.608 0.374 1.00 10.00 O ATOM 940 CB MET A 57 8.929 -1.149 1.928 1.00 10.00 C ATOM 941 CG MET A 57 9.681 -2.280 2.644 1.00 10.00 C ATOM 942 SD MET A 57 9.253 -3.947 2.061 1.00 10.00 S ATOM 943 CE MET A 57 10.207 -4.003 0.517 1.00 10.00 C ATOM 0 H MET A 57 8.337 -0.164 4.138 1.00 10.00 H new ATOM 0 HA MET A 57 10.479 0.336 2.295 1.00 10.00 H new ATOM 0 HB2 MET A 57 7.861 -1.249 2.122 1.00 10.00 H new ATOM 0 HB3 MET A 57 9.068 -1.251 0.852 1.00 10.00 H new ATOM 0 HG2 MET A 57 10.752 -2.127 2.516 1.00 10.00 H new ATOM 0 HG3 MET A 57 9.476 -2.218 3.713 1.00 10.00 H new ATOM 0 HE1 MET A 57 9.593 -4.431 -0.275 1.00 10.00 H new ATOM 0 HE2 MET A 57 10.507 -2.993 0.238 1.00 10.00 H new ATOM 0 HE3 MET A 57 11.095 -4.618 0.660 1.00 10.00 H new ATOM 953 N LEU A 58 7.635 1.870 1.783 1.00 10.00 N ATOM 954 CA LEU A 58 6.906 2.922 1.063 1.00 10.00 C ATOM 955 C LEU A 58 7.640 4.268 1.027 1.00 10.00 C ATOM 956 O LEU A 58 7.528 5.015 0.056 1.00 10.00 O ATOM 957 CB LEU A 58 5.564 3.124 1.793 1.00 10.00 C ATOM 958 CG LEU A 58 4.378 2.367 1.197 1.00 10.00 C ATOM 959 CD1 LEU A 58 3.224 2.417 2.194 1.00 10.00 C ATOM 960 CD2 LEU A 58 3.937 3.049 -0.094 1.00 10.00 C ATOM 0 H LEU A 58 7.153 1.591 2.637 1.00 10.00 H new ATOM 0 HA LEU A 58 6.791 2.600 0.028 1.00 10.00 H new ATOM 0 HB2 LEU A 58 5.684 2.818 2.832 1.00 10.00 H new ATOM 0 HB3 LEU A 58 5.329 4.188 1.799 1.00 10.00 H new ATOM 0 HG LEU A 58 4.663 1.336 0.989 1.00 10.00 H new ATOM 0 HD11 LEU A 58 2.367 1.881 1.786 1.00 10.00 H new ATOM 0 HD12 LEU A 58 3.531 1.951 3.130 1.00 10.00 H new ATOM 0 HD13 LEU A 58 2.948 3.455 2.379 1.00 10.00 H new ATOM 0 HD21 LEU A 58 3.091 2.510 -0.520 1.00 10.00 H new ATOM 0 HD22 LEU A 58 3.642 4.076 0.120 1.00 10.00 H new ATOM 0 HD23 LEU A 58 4.763 3.049 -0.806 1.00 10.00 H new ATOM 972 N ASN A 59 8.359 4.581 2.101 1.00 10.00 N ATOM 973 CA ASN A 59 8.866 5.916 2.431 1.00 10.00 C ATOM 974 C ASN A 59 10.357 6.098 2.051 1.00 10.00 C ATOM 975 O ASN A 59 11.088 6.869 2.678 1.00 10.00 O ATOM 976 CB ASN A 59 8.556 6.127 3.926 1.00 10.00 C ATOM 977 CG ASN A 59 8.559 7.569 4.405 1.00 10.00 C ATOM 978 OD1 ASN A 59 8.615 8.531 3.649 1.00 10.00 O ATOM 979 ND2 ASN A 59 8.426 7.753 5.701 1.00 10.00 N ATOM 0 H ASN A 59 8.617 3.883 2.798 1.00 10.00 H new ATOM 0 HA ASN A 59 8.376 6.691 1.841 1.00 10.00 H new ATOM 0 HB2 ASN A 59 7.578 5.695 4.139 1.00 10.00 H new ATOM 0 HB3 ASN A 59 9.286 5.568 4.511 1.00 10.00 H new ATOM 0 HD21 ASN A 59 8.369 8.699 6.079 1.00 10.00 H new ATOM 0 HD22 ASN A 59 8.380 6.950 6.328 1.00 10.00 H new ATOM 986 N GLU A 60 10.825 5.357 1.041 1.00 10.00 N ATOM 987 CA GLU A 60 12.211 5.345 0.547 1.00 10.00 C ATOM 988 C GLU A 60 12.281 5.130 -0.987 1.00 10.00 C ATOM 989 O GLU A 60 11.314 4.630 -1.576 1.00 10.00 O ATOM 990 CB GLU A 60 13.024 4.296 1.331 1.00 10.00 C ATOM 991 CG GLU A 60 12.558 2.862 1.065 1.00 10.00 C ATOM 992 CD GLU A 60 13.448 1.784 1.723 1.00 10.00 C ATOM 993 OE1 GLU A 60 14.191 2.073 2.694 1.00 10.00 O ATOM 994 OE2 GLU A 60 13.414 0.618 1.258 1.00 10.00 O ATOM 0 H GLU A 60 10.223 4.719 0.520 1.00 10.00 H new ATOM 0 HA GLU A 60 12.657 6.324 0.722 1.00 10.00 H new ATOM 0 HB2 GLU A 60 14.077 4.386 1.064 1.00 10.00 H new ATOM 0 HB3 GLU A 60 12.946 4.506 2.398 1.00 10.00 H new ATOM 0 HG2 GLU A 60 11.537 2.748 1.429 1.00 10.00 H new ATOM 0 HG3 GLU A 60 12.533 2.692 -0.011 1.00 10.00 H new ATOM 1001 N PRO A 61 13.387 5.506 -1.667 1.00 10.00 N ATOM 1002 CA PRO A 61 13.533 5.363 -3.116 1.00 10.00 C ATOM 1003 C PRO A 61 13.296 3.930 -3.622 1.00 10.00 C ATOM 1004 O PRO A 61 13.811 2.961 -3.056 1.00 10.00 O ATOM 1005 CB PRO A 61 14.953 5.840 -3.439 1.00 10.00 C ATOM 1006 CG PRO A 61 15.339 6.745 -2.281 1.00 10.00 C ATOM 1007 CD PRO A 61 14.553 6.176 -1.110 1.00 10.00 C ATOM 0 HA PRO A 61 12.772 5.954 -3.625 1.00 10.00 H new ATOM 0 HB2 PRO A 61 15.641 4.999 -3.528 1.00 10.00 H new ATOM 0 HB3 PRO A 61 14.982 6.378 -4.387 1.00 10.00 H new ATOM 0 HG2 PRO A 61 16.412 6.721 -2.093 1.00 10.00 H new ATOM 0 HG3 PRO A 61 15.072 7.784 -2.477 1.00 10.00 H new ATOM 0 HD2 PRO A 61 15.164 5.477 -0.539 1.00 10.00 H new ATOM 0 HD3 PRO A 61 14.252 6.969 -0.426 1.00 10.00 H new ATOM 1015 N VAL A 62 12.546 3.791 -4.722 1.00 10.00 N ATOM 1016 CA VAL A 62 12.236 2.500 -5.357 1.00 10.00 C ATOM 1017 C VAL A 62 13.447 1.833 -6.035 1.00 10.00 C ATOM 1018 O VAL A 62 13.430 0.624 -6.270 1.00 10.00 O ATOM 1019 CB VAL A 62 11.077 2.656 -6.361 1.00 10.00 C ATOM 1020 CG1 VAL A 62 9.800 3.164 -5.676 1.00 10.00 C ATOM 1021 CG2 VAL A 62 11.396 3.578 -7.544 1.00 10.00 C ATOM 0 H VAL A 62 12.129 4.586 -5.206 1.00 10.00 H new ATOM 0 HA VAL A 62 11.936 1.833 -4.549 1.00 10.00 H new ATOM 0 HB VAL A 62 10.922 1.652 -6.755 1.00 10.00 H new ATOM 0 HG11 VAL A 62 9.005 3.262 -6.415 1.00 10.00 H new ATOM 0 HG12 VAL A 62 9.494 2.456 -4.905 1.00 10.00 H new ATOM 0 HG13 VAL A 62 9.993 4.135 -5.221 1.00 10.00 H new ATOM 0 HG21 VAL A 62 10.531 3.635 -8.204 1.00 10.00 H new ATOM 0 HG22 VAL A 62 11.637 4.575 -7.174 1.00 10.00 H new ATOM 0 HG23 VAL A 62 12.248 3.180 -8.096 1.00 10.00 H new ATOM 1031 N GLN A 63 14.497 2.603 -6.335 1.00 10.00 N ATOM 1032 CA GLN A 63 15.749 2.153 -6.961 1.00 10.00 C ATOM 1033 C GLN A 63 16.932 3.061 -6.572 1.00 10.00 C ATOM 1034 O GLN A 63 16.739 4.150 -6.027 1.00 10.00 O ATOM 1035 CB GLN A 63 15.568 2.097 -8.494 1.00 10.00 C ATOM 1036 CG GLN A 63 15.342 3.474 -9.153 1.00 10.00 C ATOM 1037 CD GLN A 63 15.173 3.391 -10.673 1.00 10.00 C ATOM 1038 OE1 GLN A 63 14.629 2.445 -11.231 1.00 10.00 O ATOM 1039 NE2 GLN A 63 15.637 4.379 -11.407 1.00 10.00 N ATOM 0 H GLN A 63 14.500 3.604 -6.140 1.00 10.00 H new ATOM 0 HA GLN A 63 15.983 1.153 -6.595 1.00 10.00 H new ATOM 0 HB2 GLN A 63 16.450 1.635 -8.937 1.00 10.00 H new ATOM 0 HB3 GLN A 63 14.720 1.452 -8.726 1.00 10.00 H new ATOM 0 HG2 GLN A 63 14.455 3.937 -8.719 1.00 10.00 H new ATOM 0 HG3 GLN A 63 16.186 4.124 -8.922 1.00 10.00 H new ATOM 0 HE21 GLN A 63 16.093 5.175 -10.961 1.00 10.00 H new ATOM 0 HE22 GLN A 63 15.541 4.349 -12.422 1.00 10.00 H new ATOM 1048 N GLU A 64 18.156 2.642 -6.909 1.00 10.00 N ATOM 1049 CA GLU A 64 19.401 3.400 -6.663 1.00 10.00 C ATOM 1050 C GLU A 64 20.286 3.560 -7.921 1.00 10.00 C ATOM 1051 O GLU A 64 21.307 4.251 -7.877 1.00 10.00 O ATOM 1052 CB GLU A 64 20.196 2.741 -5.519 1.00 10.00 C ATOM 1053 CG GLU A 64 19.455 2.771 -4.174 1.00 10.00 C ATOM 1054 CD GLU A 64 20.343 2.214 -3.045 1.00 10.00 C ATOM 1055 OE1 GLU A 64 20.341 0.979 -2.815 1.00 10.00 O ATOM 1056 OE2 GLU A 64 21.049 3.006 -2.373 1.00 10.00 O ATOM 0 H GLU A 64 18.319 1.747 -7.371 1.00 10.00 H new ATOM 0 HA GLU A 64 19.105 4.409 -6.377 1.00 10.00 H new ATOM 0 HB2 GLU A 64 20.413 1.706 -5.784 1.00 10.00 H new ATOM 0 HB3 GLU A 64 21.154 3.250 -5.411 1.00 10.00 H new ATOM 0 HG2 GLU A 64 19.160 3.794 -3.939 1.00 10.00 H new ATOM 0 HG3 GLU A 64 18.539 2.184 -4.245 1.00 10.00 H new ATOM 1063 N ALA A 65 19.898 2.962 -9.056 1.00 10.00 N ATOM 1064 CA ALA A 65 20.615 3.062 -10.335 1.00 10.00 C ATOM 1065 C ALA A 65 20.563 4.470 -10.977 1.00 10.00 C ATOM 1066 O ALA A 65 21.429 4.816 -11.787 1.00 10.00 O ATOM 1067 CB ALA A 65 20.032 2.007 -11.285 1.00 10.00 C ATOM 0 H ALA A 65 19.060 2.383 -9.112 1.00 10.00 H new ATOM 0 HA ALA A 65 21.673 2.881 -10.143 1.00 10.00 H new ATOM 0 HB1 ALA A 65 20.546 2.058 -12.245 1.00 10.00 H new ATOM 0 HB2 ALA A 65 20.166 1.015 -10.854 1.00 10.00 H new ATOM 0 HB3 ALA A 65 18.969 2.198 -11.432 1.00 10.00 H new ATOM 1073 N GLY A 66 19.564 5.285 -10.619 1.00 10.00 N ATOM 1074 CA GLY A 66 19.388 6.666 -11.085 1.00 10.00 C ATOM 1075 C GLY A 66 18.036 7.269 -10.686 1.00 10.00 C ATOM 1076 O GLY A 66 17.139 6.557 -10.223 1.00 10.00 O ATOM 0 H GLY A 66 18.830 4.991 -9.974 1.00 10.00 H new ATOM 0 HA2 GLY A 66 20.189 7.285 -10.679 1.00 10.00 H new ATOM 0 HA3 GLY A 66 19.484 6.692 -12.170 1.00 10.00 H new ATOM 1080 N GLY A 67 17.883 8.582 -10.878 1.00 10.00 N ATOM 1081 CA GLY A 67 16.685 9.342 -10.481 1.00 10.00 C ATOM 1082 C GLY A 67 16.629 10.777 -11.029 1.00 10.00 C ATOM 1083 O GLY A 67 16.113 11.672 -10.358 1.00 10.00 O ATOM 0 H GLY A 67 18.597 9.160 -11.321 1.00 10.00 H new ATOM 0 HA2 GLY A 67 15.800 8.803 -10.819 1.00 10.00 H new ATOM 0 HA3 GLY A 67 16.639 9.380 -9.393 1.00 10.00 H new ATOM 1087 N GLN A 68 17.191 11.009 -12.221 1.00 10.00 N ATOM 1088 CA GLN A 68 17.267 12.318 -12.889 1.00 10.00 C ATOM 1089 C GLN A 68 17.247 12.188 -14.429 1.00 10.00 C ATOM 1090 O GLN A 68 17.327 11.081 -14.968 1.00 10.00 O ATOM 1091 CB GLN A 68 18.516 13.083 -12.395 1.00 10.00 C ATOM 1092 CG GLN A 68 19.856 12.413 -12.749 1.00 10.00 C ATOM 1093 CD GLN A 68 21.051 13.241 -12.276 1.00 10.00 C ATOM 1094 OE1 GLN A 68 21.222 14.401 -12.630 1.00 10.00 O ATOM 1095 NE2 GLN A 68 21.929 12.693 -11.459 1.00 10.00 N ATOM 0 H GLN A 68 17.622 10.264 -12.769 1.00 10.00 H new ATOM 0 HA GLN A 68 16.378 12.890 -12.623 1.00 10.00 H new ATOM 0 HB2 GLN A 68 18.503 14.087 -12.819 1.00 10.00 H new ATOM 0 HB3 GLN A 68 18.454 13.194 -11.312 1.00 10.00 H new ATOM 0 HG2 GLN A 68 19.898 11.423 -12.295 1.00 10.00 H new ATOM 0 HG3 GLN A 68 19.917 12.271 -13.828 1.00 10.00 H new ATOM 0 HE21 GLN A 68 21.806 11.728 -11.151 1.00 10.00 H new ATOM 0 HE22 GLN A 68 22.731 13.234 -11.135 1.00 10.00 H new ATOM 1104 N GLY A 69 17.169 13.324 -15.135 1.00 10.00 N ATOM 1105 CA GLY A 69 17.067 13.402 -16.603 1.00 10.00 C ATOM 1106 C GLY A 69 17.944 14.487 -17.247 1.00 10.00 C ATOM 1107 O GLY A 69 17.623 14.973 -18.335 1.00 10.00 O ATOM 0 H GLY A 69 17.175 14.242 -14.690 1.00 10.00 H new ATOM 0 HA2 GLY A 69 17.340 12.435 -17.025 1.00 10.00 H new ATOM 0 HA3 GLY A 69 16.027 13.586 -16.873 1.00 10.00 H new ATOM 1111 N GLY A 70 19.035 14.885 -16.580 1.00 10.00 N ATOM 1112 CA GLY A 70 19.950 15.951 -17.025 1.00 10.00 C ATOM 1113 C GLY A 70 21.371 15.856 -16.449 1.00 10.00 C ATOM 1114 O GLY A 70 22.057 16.874 -16.324 1.00 10.00 O ATOM 0 H GLY A 70 19.315 14.466 -15.693 1.00 10.00 H new ATOM 0 HA2 GLY A 70 20.011 15.929 -18.113 1.00 10.00 H new ATOM 0 HA3 GLY A 70 19.524 16.916 -16.749 1.00 10.00 H new ATOM 1118 N GLY A 71 21.810 14.651 -16.069 1.00 10.00 N ATOM 1119 CA GLY A 71 23.118 14.386 -15.455 1.00 10.00 C ATOM 1120 C GLY A 71 23.294 12.925 -15.018 1.00 10.00 C ATOM 1121 O GLY A 71 22.398 12.094 -15.206 1.00 10.00 O ATOM 0 H GLY A 71 21.249 13.807 -16.183 1.00 10.00 H new ATOM 0 HA2 GLY A 71 23.904 14.644 -16.164 1.00 10.00 H new ATOM 0 HA3 GLY A 71 23.244 15.036 -14.589 1.00 10.00 H new ATOM 1125 N GLY A 72 24.456 12.610 -14.432 1.00 10.00 N ATOM 1126 CA GLY A 72 24.821 11.267 -13.947 1.00 10.00 C ATOM 1127 C GLY A 72 26.222 11.219 -13.337 1.00 10.00 C ATOM 1128 O GLY A 72 27.203 11.158 -14.112 1.00 10.00 O ATOM 1129 OXT GLY A 72 26.330 11.254 -12.092 1.00 10.00 O ATOM 0 H GLY A 72 25.191 13.300 -14.276 1.00 10.00 H new ATOM 0 HA2 GLY A 72 24.094 10.945 -13.202 1.00 10.00 H new ATOM 0 HA3 GLY A 72 24.765 10.559 -14.774 1.00 10.00 H new TER 1133 GLY A 72