USER MOD reduce.3.24.130724 H: found=0, std=0, add=749, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 749 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 57 ASN : amide:sc= 0 K(o=-2,f=-3.3) USER MOD Set 1.2: A 74 ASN : amide:sc= -1.96 X(o=-2,f=-1.7!) USER MOD Set 2.1: A 33 GLN :FLIP amide:sc= 0 X(o=-1.1,f=-1) USER MOD Set 2.2: A 64 HIS :FLIP no HD1:sc= -1.04 F(o=-1.7,f=-1) USER MOD Single : A 1 GLY N :NH3+ -157:sc= 0 (180deg=-0.02) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 15 ASN : amide:sc=-0.00771 X(o=-0.0077,f=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= -0.505 K(o=-0.5,f=-3.6!) USER MOD Single : A 30 HIS : no HD1:sc= -3.3 X(o=-3.3,f=-3) USER MOD Single : A 34 ASN : amide:sc= -0.011 X(o=-0.011,f=-0.03) USER MOD Single : A 44 GLN : amide:sc= 0 X(o=0,f=-0.027) USER MOD Single : A 47 LYS NZ :NH3+ -165:sc= 0 (180deg=-0.0844) USER MOD Single : A 51 HIS : no HD1:sc= -0.0246 X(o=-0.025,f=-0.18) USER MOD Single : A 54 ASN : amide:sc= -6.77! C(o=-6.8!,f=-6.9!) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 170:sc= -0.663 USER MOD Single : A 67 HIS : no HD1:sc= -0.209 X(o=-0.21,f=-0.0031) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ -152:sc= -0.0195 (180deg=-0.281) USER MOD Single : A 73 TYR OH : rot 13:sc= 0.621 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 84 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ -156:sc= -0.162 (180deg=-0.683) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -13.928 -17.701 -9.267 1.00 0.00 N ATOM 2 CA GLY A 1 -13.022 -16.978 -8.333 1.00 0.00 C ATOM 3 C GLY A 1 -13.679 -15.761 -7.704 1.00 0.00 C ATOM 4 O GLY A 1 -14.212 -15.847 -6.597 1.00 0.00 O ATOM 0 H1 GLY A 1 -13.612 -18.687 -9.363 1.00 0.00 H new ATOM 0 H2 GLY A 1 -14.898 -17.683 -8.893 1.00 0.00 H new ATOM 0 H3 GLY A 1 -13.908 -17.238 -10.198 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -12.699 -17.659 -7.546 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -12.127 -16.665 -8.871 1.00 0.00 H new ATOM 10 N PRO A 2 -13.653 -14.602 -8.393 1.00 0.00 N ATOM 11 CA PRO A 2 -14.253 -13.360 -7.885 1.00 0.00 C ATOM 12 C PRO A 2 -15.782 -13.382 -7.933 1.00 0.00 C ATOM 13 O PRO A 2 -16.379 -14.220 -8.612 1.00 0.00 O ATOM 14 CB PRO A 2 -13.704 -12.295 -8.834 1.00 0.00 C ATOM 15 CG PRO A 2 -13.457 -13.021 -10.109 1.00 0.00 C ATOM 16 CD PRO A 2 -13.032 -14.411 -9.719 1.00 0.00 C ATOM 0 HA PRO A 2 -14.009 -13.189 -6.836 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -14.417 -11.482 -8.972 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -12.787 -11.852 -8.445 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -14.356 -13.046 -10.724 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -12.683 -12.527 -10.696 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -13.381 -15.154 -10.436 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -11.947 -14.500 -9.671 1.00 0.00 H new ATOM 24 N GLY A 3 -16.408 -12.452 -7.210 1.00 0.00 N ATOM 25 CA GLY A 3 -17.860 -12.378 -7.185 1.00 0.00 C ATOM 26 C GLY A 3 -18.409 -12.072 -5.802 1.00 0.00 C ATOM 27 O GLY A 3 -18.679 -12.991 -5.027 1.00 0.00 O ATOM 0 H GLY A 3 -15.934 -11.750 -6.642 1.00 0.00 H new ATOM 0 HA2 GLY A 3 -18.192 -11.608 -7.882 1.00 0.00 H new ATOM 0 HA3 GLY A 3 -18.274 -13.324 -7.534 1.00 0.00 H new ATOM 31 N PRO A 4 -18.594 -10.780 -5.462 1.00 0.00 N ATOM 32 CA PRO A 4 -19.121 -10.362 -4.163 1.00 0.00 C ATOM 33 C PRO A 4 -20.641 -10.492 -4.088 1.00 0.00 C ATOM 34 O PRO A 4 -21.276 -11.009 -5.011 1.00 0.00 O ATOM 35 CB PRO A 4 -18.708 -8.882 -4.057 1.00 0.00 C ATOM 36 CG PRO A 4 -17.944 -8.568 -5.305 1.00 0.00 C ATOM 37 CD PRO A 4 -18.311 -9.622 -6.310 1.00 0.00 C ATOM 0 HA PRO A 4 -18.736 -10.982 -3.354 1.00 0.00 H new ATOM 0 HB2 PRO A 4 -19.584 -8.240 -3.965 1.00 0.00 H new ATOM 0 HB3 PRO A 4 -18.094 -8.712 -3.172 1.00 0.00 H new ATOM 0 HG2 PRO A 4 -18.198 -7.575 -5.675 1.00 0.00 H new ATOM 0 HG3 PRO A 4 -16.871 -8.572 -5.114 1.00 0.00 H new ATOM 0 HD2 PRO A 4 -19.178 -9.332 -6.904 1.00 0.00 H new ATOM 0 HD3 PRO A 4 -17.497 -9.819 -7.008 1.00 0.00 H new ATOM 45 N ALA A 5 -21.220 -10.019 -2.986 1.00 0.00 N ATOM 46 CA ALA A 5 -22.663 -10.079 -2.788 1.00 0.00 C ATOM 47 C ALA A 5 -23.274 -8.678 -2.765 1.00 0.00 C ATOM 48 O ALA A 5 -24.014 -8.303 -3.675 1.00 0.00 O ATOM 49 CB ALA A 5 -22.989 -10.833 -1.507 1.00 0.00 C ATOM 0 H ALA A 5 -20.708 -9.589 -2.216 1.00 0.00 H new ATOM 0 HA ALA A 5 -23.101 -10.618 -3.628 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -24.070 -10.870 -1.372 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -22.596 -11.848 -1.572 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -22.534 -10.322 -0.658 1.00 0.00 H new ATOM 55 N ILE A 6 -22.962 -7.908 -1.719 1.00 0.00 N ATOM 56 CA ILE A 6 -23.481 -6.553 -1.578 1.00 0.00 C ATOM 57 C ILE A 6 -22.438 -5.623 -0.949 1.00 0.00 C ATOM 58 O ILE A 6 -22.692 -4.984 0.076 1.00 0.00 O ATOM 59 CB ILE A 6 -24.775 -6.530 -0.731 1.00 0.00 C ATOM 60 CG1 ILE A 6 -24.860 -7.759 0.184 1.00 0.00 C ATOM 61 CG2 ILE A 6 -25.996 -6.452 -1.637 1.00 0.00 C ATOM 62 CD1 ILE A 6 -25.966 -7.674 1.214 1.00 0.00 C ATOM 0 H ILE A 6 -22.351 -8.205 -0.958 1.00 0.00 H new ATOM 0 HA ILE A 6 -23.714 -6.195 -2.581 1.00 0.00 H new ATOM 0 HB ILE A 6 -24.751 -5.643 -0.097 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -25.013 -8.647 -0.429 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -23.907 -7.886 0.697 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -26.900 -6.437 -1.028 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -25.947 -5.543 -2.237 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -26.017 -7.320 -2.295 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -25.965 -8.577 1.824 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -25.803 -6.805 1.852 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -26.927 -7.578 0.709 1.00 0.00 H new ATOM 74 N GLY A 7 -21.261 -5.550 -1.574 1.00 0.00 N ATOM 75 CA GLY A 7 -20.196 -4.698 -1.067 1.00 0.00 C ATOM 76 C GLY A 7 -19.344 -4.109 -2.173 1.00 0.00 C ATOM 77 O GLY A 7 -18.920 -4.825 -3.082 1.00 0.00 O ATOM 0 H GLY A 7 -21.027 -6.066 -2.422 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -20.631 -3.890 -0.479 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -19.563 -5.276 -0.394 1.00 0.00 H new ATOM 81 N GLU A 8 -19.091 -2.802 -2.096 1.00 0.00 N ATOM 82 CA GLU A 8 -18.282 -2.121 -3.102 1.00 0.00 C ATOM 83 C GLU A 8 -17.387 -1.057 -2.466 1.00 0.00 C ATOM 84 O GLU A 8 -17.868 -0.160 -1.771 1.00 0.00 O ATOM 85 CB GLU A 8 -19.183 -1.483 -4.163 1.00 0.00 C ATOM 86 CG GLU A 8 -19.808 -2.492 -5.115 1.00 0.00 C ATOM 87 CD GLU A 8 -20.120 -1.898 -6.475 1.00 0.00 C ATOM 88 OE1 GLU A 8 -19.168 -1.547 -7.203 1.00 0.00 O ATOM 89 OE2 GLU A 8 -21.317 -1.788 -6.813 1.00 0.00 O ATOM 0 H GLU A 8 -19.434 -2.197 -1.350 1.00 0.00 H new ATOM 0 HA GLU A 8 -17.641 -2.864 -3.576 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -19.976 -0.924 -3.666 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -18.600 -0.765 -4.739 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -19.130 -3.337 -5.239 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -20.726 -2.881 -4.674 1.00 0.00 H new ATOM 96 N VAL A 9 -16.082 -1.167 -2.713 1.00 0.00 N ATOM 97 CA VAL A 9 -15.108 -0.221 -2.170 1.00 0.00 C ATOM 98 C VAL A 9 -14.278 0.408 -3.285 1.00 0.00 C ATOM 99 O VAL A 9 -13.963 -0.242 -4.283 1.00 0.00 O ATOM 100 CB VAL A 9 -14.170 -0.894 -1.147 1.00 0.00 C ATOM 101 CG1 VAL A 9 -13.170 0.109 -0.585 1.00 0.00 C ATOM 102 CG2 VAL A 9 -14.980 -1.528 -0.028 1.00 0.00 C ATOM 0 H VAL A 9 -15.674 -1.904 -3.288 1.00 0.00 H new ATOM 0 HA VAL A 9 -15.673 0.559 -1.660 1.00 0.00 H new ATOM 0 HB VAL A 9 -13.610 -1.677 -1.658 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -12.520 -0.389 0.134 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -12.568 0.517 -1.397 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -13.706 0.918 -0.089 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -14.306 -1.999 0.687 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -15.566 -0.760 0.477 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -15.650 -2.280 -0.445 1.00 0.00 H new ATOM 112 N ILE A 10 -13.944 1.684 -3.110 1.00 0.00 N ATOM 113 CA ILE A 10 -13.168 2.421 -4.101 1.00 0.00 C ATOM 114 C ILE A 10 -11.761 2.750 -3.597 1.00 0.00 C ATOM 115 O ILE A 10 -11.510 2.778 -2.391 1.00 0.00 O ATOM 116 CB ILE A 10 -13.893 3.723 -4.501 1.00 0.00 C ATOM 117 CG1 ILE A 10 -14.051 4.649 -3.290 1.00 0.00 C ATOM 118 CG2 ILE A 10 -15.253 3.396 -5.100 1.00 0.00 C ATOM 119 CD1 ILE A 10 -14.330 6.089 -3.658 1.00 0.00 C ATOM 0 H ILE A 10 -14.200 2.230 -2.287 1.00 0.00 H new ATOM 0 HA ILE A 10 -13.072 1.776 -4.974 1.00 0.00 H new ATOM 0 HB ILE A 10 -13.292 4.241 -5.248 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -14.863 4.279 -2.665 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -13.142 4.606 -2.690 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -15.759 4.320 -5.380 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -15.121 2.772 -5.984 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -15.855 2.861 -4.365 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -14.430 6.684 -2.750 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -13.507 6.477 -4.258 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -15.255 6.145 -4.232 1.00 0.00 H new ATOM 131 N GLY A 11 -10.850 3.000 -4.540 1.00 0.00 N ATOM 132 CA GLY A 11 -9.473 3.329 -4.197 1.00 0.00 C ATOM 133 C GLY A 11 -8.747 4.022 -5.337 1.00 0.00 C ATOM 134 O GLY A 11 -9.388 4.505 -6.273 1.00 0.00 O ATOM 0 H GLY A 11 -11.044 2.980 -5.541 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -9.463 3.973 -3.318 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -8.939 2.417 -3.930 1.00 0.00 H new ATOM 138 N ILE A 12 -7.410 4.077 -5.276 1.00 0.00 N ATOM 139 CA ILE A 12 -6.638 4.722 -6.332 1.00 0.00 C ATOM 140 C ILE A 12 -6.024 3.691 -7.277 1.00 0.00 C ATOM 141 O ILE A 12 -6.007 2.493 -6.985 1.00 0.00 O ATOM 142 CB ILE A 12 -5.522 5.616 -5.759 1.00 0.00 C ATOM 143 CG1 ILE A 12 -4.503 4.766 -4.988 1.00 0.00 C ATOM 144 CG2 ILE A 12 -6.117 6.715 -4.887 1.00 0.00 C ATOM 145 CD1 ILE A 12 -4.557 4.925 -3.481 1.00 0.00 C ATOM 0 H ILE A 12 -6.852 3.687 -4.516 1.00 0.00 H new ATOM 0 HA ILE A 12 -7.335 5.348 -6.889 1.00 0.00 H new ATOM 0 HB ILE A 12 -4.994 6.099 -6.581 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -4.664 3.717 -5.235 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -3.501 5.024 -5.331 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -5.316 7.338 -4.490 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -6.791 7.328 -5.484 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -6.670 6.266 -4.062 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -3.802 4.287 -3.021 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -4.363 5.965 -3.218 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -5.544 4.637 -3.120 1.00 0.00 H new ATOM 157 N SER A 13 -5.524 4.171 -8.412 1.00 0.00 N ATOM 158 CA SER A 13 -4.907 3.308 -9.414 1.00 0.00 C ATOM 159 C SER A 13 -3.386 3.379 -9.337 1.00 0.00 C ATOM 160 O SER A 13 -2.826 4.369 -8.858 1.00 0.00 O ATOM 161 CB SER A 13 -5.361 3.727 -10.812 1.00 0.00 C ATOM 162 OG SER A 13 -6.513 3.007 -11.216 1.00 0.00 O ATOM 0 H SER A 13 -5.535 5.160 -8.662 1.00 0.00 H new ATOM 0 HA SER A 13 -5.219 2.283 -9.214 1.00 0.00 H new ATOM 0 HB2 SER A 13 -5.575 4.796 -10.822 1.00 0.00 H new ATOM 0 HB3 SER A 13 -4.554 3.557 -11.525 1.00 0.00 H new ATOM 0 HG SER A 13 -6.782 3.297 -12.113 1.00 0.00 H new ATOM 168 N VAL A 14 -2.717 2.342 -9.847 1.00 0.00 N ATOM 169 CA VAL A 14 -1.260 2.318 -9.864 1.00 0.00 C ATOM 170 C VAL A 14 -0.737 3.415 -10.789 1.00 0.00 C ATOM 171 O VAL A 14 0.398 3.873 -10.650 1.00 0.00 O ATOM 172 CB VAL A 14 -0.699 0.955 -10.314 1.00 0.00 C ATOM 173 CG1 VAL A 14 -1.125 0.637 -11.739 1.00 0.00 C ATOM 174 CG2 VAL A 14 0.818 0.938 -10.184 1.00 0.00 C ATOM 0 H VAL A 14 -3.160 1.516 -10.250 1.00 0.00 H new ATOM 0 HA VAL A 14 -0.922 2.491 -8.842 1.00 0.00 H new ATOM 0 HB VAL A 14 -1.109 0.182 -9.663 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -0.717 -0.330 -12.034 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -2.213 0.604 -11.795 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -0.751 1.409 -12.411 1.00 0.00 H new ATOM 0 HG21 VAL A 14 1.200 -0.031 -10.505 1.00 0.00 H new ATOM 0 HG22 VAL A 14 1.246 1.722 -10.809 1.00 0.00 H new ATOM 0 HG23 VAL A 14 1.096 1.111 -9.144 1.00 0.00 H new ATOM 184 N ASN A 15 -1.596 3.843 -11.722 1.00 0.00 N ATOM 185 CA ASN A 15 -1.261 4.899 -12.662 1.00 0.00 C ATOM 186 C ASN A 15 -0.786 6.146 -11.918 1.00 0.00 C ATOM 187 O ASN A 15 0.109 6.852 -12.382 1.00 0.00 O ATOM 188 CB ASN A 15 -2.482 5.240 -13.510 1.00 0.00 C ATOM 189 CG ASN A 15 -2.132 6.018 -14.764 1.00 0.00 C ATOM 190 OD1 ASN A 15 -2.506 7.181 -14.909 1.00 0.00 O ATOM 191 ND2 ASN A 15 -1.415 5.379 -15.683 1.00 0.00 N ATOM 0 H ASN A 15 -2.536 3.464 -11.840 1.00 0.00 H new ATOM 0 HA ASN A 15 -0.456 4.549 -13.308 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -2.992 4.318 -13.791 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -3.183 5.822 -12.911 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -1.155 5.853 -16.548 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -1.125 4.414 -15.523 1.00 0.00 H new ATOM 198 N ASP A 16 -1.395 6.401 -10.753 1.00 0.00 N ATOM 199 CA ASP A 16 -1.040 7.551 -9.930 1.00 0.00 C ATOM 200 C ASP A 16 0.435 7.488 -9.522 1.00 0.00 C ATOM 201 O ASP A 16 0.847 6.594 -8.784 1.00 0.00 O ATOM 202 CB ASP A 16 -1.945 7.614 -8.698 1.00 0.00 C ATOM 203 CG ASP A 16 -1.740 8.881 -7.892 1.00 0.00 C ATOM 204 OD1 ASP A 16 -0.840 8.897 -7.033 1.00 0.00 O ATOM 205 OD2 ASP A 16 -2.481 9.858 -8.122 1.00 0.00 O ATOM 0 H ASP A 16 -2.138 5.821 -10.363 1.00 0.00 H new ATOM 0 HA ASP A 16 -1.187 8.459 -10.514 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -2.987 7.552 -9.013 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -1.751 6.749 -8.064 1.00 0.00 H new ATOM 210 N PRO A 17 1.253 8.437 -10.023 1.00 0.00 N ATOM 211 CA PRO A 17 2.697 8.492 -9.739 1.00 0.00 C ATOM 212 C PRO A 17 3.036 8.596 -8.253 1.00 0.00 C ATOM 213 O PRO A 17 4.102 8.147 -7.833 1.00 0.00 O ATOM 214 CB PRO A 17 3.169 9.750 -10.480 1.00 0.00 C ATOM 215 CG PRO A 17 1.929 10.535 -10.743 1.00 0.00 C ATOM 216 CD PRO A 17 0.841 9.523 -10.926 1.00 0.00 C ATOM 0 HA PRO A 17 3.185 7.572 -10.060 1.00 0.00 H new ATOM 0 HB2 PRO A 17 3.876 10.320 -9.878 1.00 0.00 H new ATOM 0 HB3 PRO A 17 3.677 9.493 -11.409 1.00 0.00 H new ATOM 0 HG2 PRO A 17 1.706 11.204 -9.912 1.00 0.00 H new ATOM 0 HG3 PRO A 17 2.040 11.156 -11.632 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -0.135 9.925 -10.656 1.00 0.00 H new ATOM 0 HD3 PRO A 17 0.772 9.185 -11.960 1.00 0.00 H new ATOM 224 N ARG A 18 2.138 9.178 -7.458 1.00 0.00 N ATOM 225 CA ARG A 18 2.373 9.315 -6.028 1.00 0.00 C ATOM 226 C ARG A 18 2.134 7.983 -5.323 1.00 0.00 C ATOM 227 O ARG A 18 2.952 7.529 -4.530 1.00 0.00 O ATOM 228 CB ARG A 18 1.457 10.387 -5.426 1.00 0.00 C ATOM 229 CG ARG A 18 1.635 11.769 -6.035 1.00 0.00 C ATOM 230 CD ARG A 18 0.842 11.922 -7.322 1.00 0.00 C ATOM 231 NE ARG A 18 -0.191 12.953 -7.216 1.00 0.00 N ATOM 232 CZ ARG A 18 -0.416 13.895 -8.137 1.00 0.00 C ATOM 233 NH1 ARG A 18 0.301 13.940 -9.258 1.00 0.00 N ATOM 234 NH2 ARG A 18 -1.373 14.795 -7.938 1.00 0.00 N ATOM 0 H ARG A 18 1.248 9.558 -7.781 1.00 0.00 H new ATOM 0 HA ARG A 18 3.410 9.618 -5.883 1.00 0.00 H new ATOM 0 HB2 ARG A 18 0.420 10.077 -5.553 1.00 0.00 H new ATOM 0 HB3 ARG A 18 1.642 10.448 -4.354 1.00 0.00 H new ATOM 0 HG2 ARG A 18 1.316 12.526 -5.319 1.00 0.00 H new ATOM 0 HG3 ARG A 18 2.692 11.945 -6.236 1.00 0.00 H new ATOM 0 HD2 ARG A 18 1.521 12.173 -8.137 1.00 0.00 H new ATOM 0 HD3 ARG A 18 0.377 10.969 -7.576 1.00 0.00 H new ATOM 0 HE ARG A 18 -0.779 12.953 -6.383 1.00 0.00 H new ATOM 0 HH11 ARG A 18 1.033 13.250 -9.423 1.00 0.00 H new ATOM 0 HH12 ARG A 18 0.118 14.665 -9.952 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -1.932 14.765 -7.085 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -1.549 15.516 -8.638 1.00 0.00 H new ATOM 248 N VAL A 19 1.000 7.368 -5.630 1.00 0.00 N ATOM 249 CA VAL A 19 0.605 6.094 -5.045 1.00 0.00 C ATOM 250 C VAL A 19 1.647 5.001 -5.298 1.00 0.00 C ATOM 251 O VAL A 19 1.947 4.205 -4.407 1.00 0.00 O ATOM 252 CB VAL A 19 -0.768 5.653 -5.602 1.00 0.00 C ATOM 253 CG1 VAL A 19 -1.088 4.211 -5.228 1.00 0.00 C ATOM 254 CG2 VAL A 19 -1.863 6.579 -5.114 1.00 0.00 C ATOM 0 H VAL A 19 0.324 7.741 -6.296 1.00 0.00 H new ATOM 0 HA VAL A 19 0.531 6.239 -3.967 1.00 0.00 H new ATOM 0 HB VAL A 19 -0.716 5.711 -6.689 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -2.060 3.936 -5.637 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -0.323 3.551 -5.637 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -1.110 4.113 -4.143 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -2.822 6.252 -5.517 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -1.900 6.556 -4.025 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -1.656 7.595 -5.449 1.00 0.00 H new ATOM 264 N LYS A 20 2.190 4.965 -6.513 1.00 0.00 N ATOM 265 CA LYS A 20 3.193 3.962 -6.880 1.00 0.00 C ATOM 266 C LYS A 20 4.521 4.184 -6.151 1.00 0.00 C ATOM 267 O LYS A 20 5.161 3.225 -5.705 1.00 0.00 O ATOM 268 CB LYS A 20 3.427 3.975 -8.394 1.00 0.00 C ATOM 269 CG LYS A 20 3.681 5.364 -8.957 1.00 0.00 C ATOM 270 CD LYS A 20 5.141 5.569 -9.313 1.00 0.00 C ATOM 271 CE LYS A 20 5.429 5.162 -10.750 1.00 0.00 C ATOM 272 NZ LYS A 20 6.851 5.399 -11.123 1.00 0.00 N ATOM 0 H LYS A 20 1.954 5.617 -7.261 1.00 0.00 H new ATOM 0 HA LYS A 20 2.804 2.990 -6.577 1.00 0.00 H new ATOM 0 HB2 LYS A 20 4.279 3.336 -8.627 1.00 0.00 H new ATOM 0 HB3 LYS A 20 2.559 3.543 -8.891 1.00 0.00 H new ATOM 0 HG2 LYS A 20 3.066 5.515 -9.844 1.00 0.00 H new ATOM 0 HG3 LYS A 20 3.376 6.114 -8.227 1.00 0.00 H new ATOM 0 HD2 LYS A 20 5.407 6.616 -9.170 1.00 0.00 H new ATOM 0 HD3 LYS A 20 5.766 4.986 -8.637 1.00 0.00 H new ATOM 0 HE2 LYS A 20 5.191 4.107 -10.883 1.00 0.00 H new ATOM 0 HE3 LYS A 20 4.780 5.722 -11.423 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 7.004 5.108 -12.110 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 7.073 6.410 -11.022 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 7.471 4.844 -10.499 1.00 0.00 H new ATOM 286 N GLU A 21 4.931 5.447 -6.029 1.00 0.00 N ATOM 287 CA GLU A 21 6.182 5.782 -5.360 1.00 0.00 C ATOM 288 C GLU A 21 6.052 5.600 -3.856 1.00 0.00 C ATOM 289 O GLU A 21 6.968 5.109 -3.195 1.00 0.00 O ATOM 290 CB GLU A 21 6.602 7.217 -5.691 1.00 0.00 C ATOM 291 CG GLU A 21 5.627 8.282 -5.212 1.00 0.00 C ATOM 292 CD GLU A 21 6.076 9.686 -5.565 1.00 0.00 C ATOM 293 OE1 GLU A 21 6.819 10.293 -4.764 1.00 0.00 O ATOM 294 OE2 GLU A 21 5.687 10.177 -6.643 1.00 0.00 O ATOM 0 H GLU A 21 4.414 6.251 -6.385 1.00 0.00 H new ATOM 0 HA GLU A 21 6.955 5.104 -5.722 1.00 0.00 H new ATOM 0 HB2 GLU A 21 7.578 7.409 -5.246 1.00 0.00 H new ATOM 0 HB3 GLU A 21 6.720 7.309 -6.771 1.00 0.00 H new ATOM 0 HG2 GLU A 21 4.647 8.097 -5.652 1.00 0.00 H new ATOM 0 HG3 GLU A 21 5.511 8.203 -4.131 1.00 0.00 H new ATOM 301 N ILE A 22 4.901 5.995 -3.327 1.00 0.00 N ATOM 302 CA ILE A 22 4.634 5.876 -1.902 1.00 0.00 C ATOM 303 C ILE A 22 4.570 4.400 -1.487 1.00 0.00 C ATOM 304 O ILE A 22 5.098 4.020 -0.441 1.00 0.00 O ATOM 305 CB ILE A 22 3.334 6.620 -1.516 1.00 0.00 C ATOM 306 CG1 ILE A 22 3.456 8.098 -1.880 1.00 0.00 C ATOM 307 CG2 ILE A 22 3.024 6.475 -0.030 1.00 0.00 C ATOM 308 CD1 ILE A 22 2.134 8.737 -2.226 1.00 0.00 C ATOM 0 H ILE A 22 4.136 6.401 -3.866 1.00 0.00 H new ATOM 0 HA ILE A 22 5.456 6.345 -1.361 1.00 0.00 H new ATOM 0 HB ILE A 22 2.512 6.171 -2.074 1.00 0.00 H new ATOM 0 HG12 ILE A 22 3.904 8.635 -1.044 1.00 0.00 H new ATOM 0 HG13 ILE A 22 4.135 8.202 -2.726 1.00 0.00 H new ATOM 0 HG21 ILE A 22 2.104 7.011 0.204 1.00 0.00 H new ATOM 0 HG22 ILE A 22 2.902 5.420 0.215 1.00 0.00 H new ATOM 0 HG23 ILE A 22 3.844 6.891 0.555 1.00 0.00 H new ATOM 0 HD11 ILE A 22 2.291 9.787 -2.475 1.00 0.00 H new ATOM 0 HD12 ILE A 22 1.694 8.223 -3.081 1.00 0.00 H new ATOM 0 HD13 ILE A 22 1.460 8.663 -1.373 1.00 0.00 H new ATOM 320 N ALA A 23 3.954 3.566 -2.333 1.00 0.00 N ATOM 321 CA ALA A 23 3.862 2.127 -2.070 1.00 0.00 C ATOM 322 C ALA A 23 5.260 1.518 -1.965 1.00 0.00 C ATOM 323 O ALA A 23 5.564 0.780 -1.023 1.00 0.00 O ATOM 324 CB ALA A 23 3.070 1.440 -3.170 1.00 0.00 C ATOM 0 H ALA A 23 3.513 3.863 -3.203 1.00 0.00 H new ATOM 0 HA ALA A 23 3.344 1.978 -1.123 1.00 0.00 H new ATOM 0 HB1 ALA A 23 3.010 0.372 -2.962 1.00 0.00 H new ATOM 0 HB2 ALA A 23 2.065 1.859 -3.211 1.00 0.00 H new ATOM 0 HB3 ALA A 23 3.567 1.596 -4.128 1.00 0.00 H new ATOM 330 N GLU A 24 6.107 1.853 -2.941 1.00 0.00 N ATOM 331 CA GLU A 24 7.489 1.369 -2.982 1.00 0.00 C ATOM 332 C GLU A 24 8.196 1.639 -1.656 1.00 0.00 C ATOM 333 O GLU A 24 8.759 0.726 -1.049 1.00 0.00 O ATOM 334 CB GLU A 24 8.248 2.026 -4.146 1.00 0.00 C ATOM 335 CG GLU A 24 9.230 3.117 -3.740 1.00 0.00 C ATOM 336 CD GLU A 24 9.911 3.766 -4.927 1.00 0.00 C ATOM 337 OE1 GLU A 24 9.304 4.671 -5.536 1.00 0.00 O ATOM 338 OE2 GLU A 24 11.052 3.372 -5.246 1.00 0.00 O ATOM 0 H GLU A 24 5.857 2.463 -3.720 1.00 0.00 H new ATOM 0 HA GLU A 24 7.474 0.291 -3.143 1.00 0.00 H new ATOM 0 HB2 GLU A 24 8.792 1.252 -4.688 1.00 0.00 H new ATOM 0 HB3 GLU A 24 7.522 2.451 -4.839 1.00 0.00 H new ATOM 0 HG2 GLU A 24 8.702 3.880 -3.168 1.00 0.00 H new ATOM 0 HG3 GLU A 24 9.987 2.691 -3.081 1.00 0.00 H new ATOM 345 N PHE A 25 8.153 2.896 -1.210 1.00 0.00 N ATOM 346 CA PHE A 25 8.783 3.285 0.050 1.00 0.00 C ATOM 347 C PHE A 25 8.238 2.453 1.205 1.00 0.00 C ATOM 348 O PHE A 25 8.970 2.118 2.134 1.00 0.00 O ATOM 349 CB PHE A 25 8.568 4.771 0.346 1.00 0.00 C ATOM 350 CG PHE A 25 9.383 5.271 1.511 1.00 0.00 C ATOM 351 CD1 PHE A 25 9.000 4.998 2.818 1.00 0.00 C ATOM 352 CD2 PHE A 25 10.532 6.015 1.298 1.00 0.00 C ATOM 353 CE1 PHE A 25 9.749 5.457 3.884 1.00 0.00 C ATOM 354 CE2 PHE A 25 11.283 6.476 2.362 1.00 0.00 C ATOM 355 CZ PHE A 25 10.892 6.196 3.656 1.00 0.00 C ATOM 0 H PHE A 25 7.689 3.659 -1.702 1.00 0.00 H new ATOM 0 HA PHE A 25 9.853 3.102 -0.052 1.00 0.00 H new ATOM 0 HB2 PHE A 25 8.821 5.351 -0.541 1.00 0.00 H new ATOM 0 HB3 PHE A 25 7.511 4.945 0.550 1.00 0.00 H new ATOM 0 HD1 PHE A 25 8.106 4.420 3.003 1.00 0.00 H new ATOM 0 HD2 PHE A 25 10.844 6.237 0.288 1.00 0.00 H new ATOM 0 HE1 PHE A 25 9.440 5.238 4.895 1.00 0.00 H new ATOM 0 HE2 PHE A 25 12.176 7.056 2.181 1.00 0.00 H new ATOM 0 HZ PHE A 25 11.479 6.555 4.488 1.00 0.00 H new ATOM 365 N ALA A 26 6.948 2.122 1.137 1.00 0.00 N ATOM 366 CA ALA A 26 6.311 1.325 2.183 1.00 0.00 C ATOM 367 C ALA A 26 7.008 -0.023 2.358 1.00 0.00 C ATOM 368 O ALA A 26 7.322 -0.424 3.480 1.00 0.00 O ATOM 369 CB ALA A 26 4.832 1.130 1.878 1.00 0.00 C ATOM 0 H ALA A 26 6.328 2.392 0.373 1.00 0.00 H new ATOM 0 HA ALA A 26 6.404 1.870 3.122 1.00 0.00 H new ATOM 0 HB1 ALA A 26 4.373 0.534 2.667 1.00 0.00 H new ATOM 0 HB2 ALA A 26 4.340 2.101 1.824 1.00 0.00 H new ATOM 0 HB3 ALA A 26 4.722 0.615 0.924 1.00 0.00 H new ATOM 375 N LEU A 27 7.248 -0.719 1.245 1.00 0.00 N ATOM 376 CA LEU A 27 7.909 -2.025 1.282 1.00 0.00 C ATOM 377 C LEU A 27 9.382 -1.901 1.697 1.00 0.00 C ATOM 378 O LEU A 27 9.856 -2.660 2.545 1.00 0.00 O ATOM 379 CB LEU A 27 7.787 -2.723 -0.084 1.00 0.00 C ATOM 380 CG LEU A 27 8.961 -3.621 -0.484 1.00 0.00 C ATOM 381 CD1 LEU A 27 9.099 -4.786 0.485 1.00 0.00 C ATOM 382 CD2 LEU A 27 8.776 -4.124 -1.908 1.00 0.00 C ATOM 0 H LEU A 27 6.995 -0.401 0.309 1.00 0.00 H new ATOM 0 HA LEU A 27 7.407 -2.633 2.035 1.00 0.00 H new ATOM 0 HB2 LEU A 27 6.878 -3.325 -0.083 1.00 0.00 H new ATOM 0 HB3 LEU A 27 7.662 -1.959 -0.851 1.00 0.00 H new ATOM 0 HG LEU A 27 9.879 -3.034 -0.440 1.00 0.00 H new ATOM 0 HD11 LEU A 27 9.939 -5.412 0.184 1.00 0.00 H new ATOM 0 HD12 LEU A 27 9.274 -4.404 1.491 1.00 0.00 H new ATOM 0 HD13 LEU A 27 8.183 -5.377 0.476 1.00 0.00 H new ATOM 0 HD21 LEU A 27 9.617 -4.761 -2.181 1.00 0.00 H new ATOM 0 HD22 LEU A 27 7.851 -4.696 -1.974 1.00 0.00 H new ATOM 0 HD23 LEU A 27 8.728 -3.275 -2.590 1.00 0.00 H new ATOM 394 N LYS A 28 10.101 -0.953 1.089 1.00 0.00 N ATOM 395 CA LYS A 28 11.523 -0.746 1.389 1.00 0.00 C ATOM 396 C LYS A 28 11.754 -0.186 2.802 1.00 0.00 C ATOM 397 O LYS A 28 12.868 -0.266 3.323 1.00 0.00 O ATOM 398 CB LYS A 28 12.163 0.181 0.348 1.00 0.00 C ATOM 399 CG LYS A 28 11.542 1.567 0.287 1.00 0.00 C ATOM 400 CD LYS A 28 12.570 2.625 -0.084 1.00 0.00 C ATOM 401 CE LYS A 28 11.980 3.680 -1.009 1.00 0.00 C ATOM 402 NZ LYS A 28 13.009 4.281 -1.903 1.00 0.00 N ATOM 0 H LYS A 28 9.723 -0.317 0.387 1.00 0.00 H new ATOM 0 HA LYS A 28 11.998 -1.726 1.346 1.00 0.00 H new ATOM 0 HB2 LYS A 28 13.226 0.280 0.570 1.00 0.00 H new ATOM 0 HB3 LYS A 28 12.084 -0.284 -0.635 1.00 0.00 H new ATOM 0 HG2 LYS A 28 10.733 1.572 -0.444 1.00 0.00 H new ATOM 0 HG3 LYS A 28 11.100 1.811 1.253 1.00 0.00 H new ATOM 0 HD2 LYS A 28 12.944 3.103 0.821 1.00 0.00 H new ATOM 0 HD3 LYS A 28 13.422 2.150 -0.570 1.00 0.00 H new ATOM 0 HE2 LYS A 28 11.192 3.231 -1.614 1.00 0.00 H new ATOM 0 HE3 LYS A 28 11.515 4.465 -0.413 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 12.563 4.994 -2.515 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 13.748 4.733 -1.327 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 13.435 3.537 -2.491 1.00 0.00 H new ATOM 416 N GLN A 29 10.713 0.382 3.417 1.00 0.00 N ATOM 417 CA GLN A 29 10.829 0.951 4.761 1.00 0.00 C ATOM 418 C GLN A 29 10.645 -0.111 5.845 1.00 0.00 C ATOM 419 O GLN A 29 11.307 -0.061 6.883 1.00 0.00 O ATOM 420 CB GLN A 29 9.807 2.074 4.958 1.00 0.00 C ATOM 421 CG GLN A 29 9.891 2.751 6.319 1.00 0.00 C ATOM 422 CD GLN A 29 11.060 3.713 6.429 1.00 0.00 C ATOM 423 OE1 GLN A 29 12.191 3.379 6.076 1.00 0.00 O ATOM 424 NE2 GLN A 29 10.794 4.915 6.927 1.00 0.00 N ATOM 0 H GLN A 29 9.783 0.460 3.006 1.00 0.00 H new ATOM 0 HA GLN A 29 11.836 1.357 4.854 1.00 0.00 H new ATOM 0 HB2 GLN A 29 9.951 2.824 4.180 1.00 0.00 H new ATOM 0 HB3 GLN A 29 8.804 1.667 4.827 1.00 0.00 H new ATOM 0 HG2 GLN A 29 8.963 3.291 6.508 1.00 0.00 H new ATOM 0 HG3 GLN A 29 9.980 1.989 7.093 1.00 0.00 H new ATOM 0 HE21 GLN A 29 9.842 5.152 7.208 1.00 0.00 H new ATOM 0 HE22 GLN A 29 11.541 5.602 7.029 1.00 0.00 H new ATOM 433 N HIS A 30 9.737 -1.058 5.610 1.00 0.00 N ATOM 434 CA HIS A 30 9.467 -2.114 6.581 1.00 0.00 C ATOM 435 C HIS A 30 10.627 -3.115 6.657 1.00 0.00 C ATOM 436 O HIS A 30 11.662 -2.811 7.251 1.00 0.00 O ATOM 437 CB HIS A 30 8.142 -2.806 6.250 1.00 0.00 C ATOM 438 CG HIS A 30 7.683 -3.757 7.308 1.00 0.00 C ATOM 439 ND1 HIS A 30 7.287 -3.353 8.563 1.00 0.00 N ATOM 440 CD2 HIS A 30 7.557 -5.102 7.290 1.00 0.00 C ATOM 441 CE1 HIS A 30 6.938 -4.409 9.273 1.00 0.00 C ATOM 442 NE2 HIS A 30 7.091 -5.484 8.523 1.00 0.00 N ATOM 0 H HIS A 30 9.179 -1.114 4.758 1.00 0.00 H new ATOM 0 HA HIS A 30 9.377 -1.662 7.569 1.00 0.00 H new ATOM 0 HB2 HIS A 30 7.374 -2.048 6.097 1.00 0.00 H new ATOM 0 HB3 HIS A 30 8.249 -3.346 5.309 1.00 0.00 H new ATOM 0 HD2 HIS A 30 7.781 -5.755 6.460 1.00 0.00 H new ATOM 0 HE1 HIS A 30 6.587 -4.396 10.294 1.00 0.00 H new ATOM 0 HE2 HIS A 30 6.895 -6.442 8.812 1.00 0.00 H new ATOM 451 N ALA A 31 10.464 -4.303 6.061 1.00 0.00 N ATOM 452 CA ALA A 31 11.514 -5.320 6.076 1.00 0.00 C ATOM 453 C ALA A 31 11.945 -5.681 7.504 1.00 0.00 C ATOM 454 O ALA A 31 13.122 -5.947 7.757 1.00 0.00 O ATOM 455 CB ALA A 31 12.700 -4.832 5.262 1.00 0.00 C ATOM 0 H ALA A 31 9.617 -4.580 5.565 1.00 0.00 H new ATOM 0 HA ALA A 31 11.114 -6.230 5.629 1.00 0.00 H new ATOM 0 HB1 ALA A 31 13.484 -5.589 5.272 1.00 0.00 H new ATOM 0 HB2 ALA A 31 12.385 -4.649 4.235 1.00 0.00 H new ATOM 0 HB3 ALA A 31 13.083 -3.908 5.695 1.00 0.00 H new ATOM 461 N GLU A 32 10.986 -5.696 8.434 1.00 0.00 N ATOM 462 CA GLU A 32 11.267 -6.028 9.828 1.00 0.00 C ATOM 463 C GLU A 32 11.735 -7.480 9.961 1.00 0.00 C ATOM 464 O GLU A 32 12.622 -7.786 10.758 1.00 0.00 O ATOM 465 CB GLU A 32 10.016 -5.769 10.685 1.00 0.00 C ATOM 466 CG GLU A 32 9.732 -6.833 11.735 1.00 0.00 C ATOM 467 CD GLU A 32 10.333 -6.495 13.084 1.00 0.00 C ATOM 468 OE1 GLU A 32 11.546 -6.724 13.270 1.00 0.00 O ATOM 469 OE2 GLU A 32 9.589 -6.000 13.956 1.00 0.00 O ATOM 0 H GLU A 32 10.007 -5.481 8.243 1.00 0.00 H new ATOM 0 HA GLU A 32 12.075 -5.390 10.187 1.00 0.00 H new ATOM 0 HB2 GLU A 32 10.127 -4.806 11.184 1.00 0.00 H new ATOM 0 HB3 GLU A 32 9.151 -5.688 10.026 1.00 0.00 H new ATOM 0 HG2 GLU A 32 8.654 -6.954 11.842 1.00 0.00 H new ATOM 0 HG3 GLU A 32 10.128 -7.790 11.394 1.00 0.00 H new ATOM 476 N GLN A 33 11.135 -8.361 9.165 1.00 0.00 N ATOM 477 CA GLN A 33 11.484 -9.783 9.172 1.00 0.00 C ATOM 478 C GLN A 33 11.897 -10.267 7.776 1.00 0.00 C ATOM 479 O GLN A 33 11.995 -11.471 7.533 1.00 0.00 O ATOM 480 CB GLN A 33 10.317 -10.634 9.682 1.00 0.00 C ATOM 481 CG GLN A 33 8.939 -10.010 9.494 1.00 0.00 C ATOM 482 CD GLN A 33 7.969 -10.936 8.784 1.00 0.00 C ATOM 483 OE1 GLN A 33 7.464 -10.500 7.633 1.00 0.00 O flip ATOM 484 NE2 GLN A 33 7.677 -12.031 9.263 1.00 0.00 N flip ATOM 0 H GLN A 33 10.400 -8.115 8.502 1.00 0.00 H new ATOM 0 HA GLN A 33 12.332 -9.899 9.847 1.00 0.00 H new ATOM 0 HB2 GLN A 33 10.337 -11.596 9.171 1.00 0.00 H new ATOM 0 HB3 GLN A 33 10.468 -10.834 10.743 1.00 0.00 H new ATOM 0 HG2 GLN A 33 8.531 -9.740 10.468 1.00 0.00 H new ATOM 0 HG3 GLN A 33 9.038 -9.087 8.923 1.00 0.00 H new ATOM 0 HE21 GLN A 33 8.088 -12.326 10.149 1.00 0.00 H new ATOM 0 HE22 GLN A 33 7.024 -12.644 8.774 1.00 0.00 H new ATOM 493 N ASN A 34 12.142 -9.319 6.869 1.00 0.00 N ATOM 494 CA ASN A 34 12.552 -9.619 5.499 1.00 0.00 C ATOM 495 C ASN A 34 11.425 -10.283 4.701 1.00 0.00 C ATOM 496 O ASN A 34 11.345 -11.509 4.619 1.00 0.00 O ATOM 497 CB ASN A 34 13.806 -10.499 5.498 1.00 0.00 C ATOM 498 CG ASN A 34 14.271 -10.864 4.098 1.00 0.00 C ATOM 499 OD1 ASN A 34 14.038 -11.976 3.625 1.00 0.00 O ATOM 500 ND2 ASN A 34 14.932 -9.927 3.426 1.00 0.00 N ATOM 0 H ASN A 34 12.061 -8.321 7.066 1.00 0.00 H new ATOM 0 HA ASN A 34 12.785 -8.674 5.009 1.00 0.00 H new ATOM 0 HB2 ASN A 34 14.610 -9.978 6.018 1.00 0.00 H new ATOM 0 HB3 ASN A 34 13.603 -11.412 6.058 1.00 0.00 H new ATOM 0 HD21 ASN A 34 15.267 -10.117 2.482 1.00 0.00 H new ATOM 0 HD22 ASN A 34 15.104 -9.018 3.855 1.00 0.00 H new ATOM 507 N LEU A 35 10.570 -9.455 4.097 1.00 0.00 N ATOM 508 CA LEU A 35 9.459 -9.942 3.278 1.00 0.00 C ATOM 509 C LEU A 35 9.515 -9.301 1.897 1.00 0.00 C ATOM 510 O LEU A 35 10.157 -8.265 1.710 1.00 0.00 O ATOM 511 CB LEU A 35 8.109 -9.685 3.972 1.00 0.00 C ATOM 512 CG LEU A 35 7.381 -8.390 3.589 1.00 0.00 C ATOM 513 CD1 LEU A 35 6.132 -8.698 2.774 1.00 0.00 C ATOM 514 CD2 LEU A 35 7.013 -7.594 4.833 1.00 0.00 C ATOM 0 H LEU A 35 10.627 -8.439 4.161 1.00 0.00 H new ATOM 0 HA LEU A 35 9.554 -11.021 3.156 1.00 0.00 H new ATOM 0 HB2 LEU A 35 7.449 -10.525 3.756 1.00 0.00 H new ATOM 0 HB3 LEU A 35 8.274 -9.678 5.049 1.00 0.00 H new ATOM 0 HG LEU A 35 8.055 -7.789 2.979 1.00 0.00 H new ATOM 0 HD11 LEU A 35 5.630 -7.767 2.512 1.00 0.00 H new ATOM 0 HD12 LEU A 35 6.413 -9.227 1.863 1.00 0.00 H new ATOM 0 HD13 LEU A 35 5.458 -9.321 3.362 1.00 0.00 H new ATOM 0 HD21 LEU A 35 6.498 -6.679 4.540 1.00 0.00 H new ATOM 0 HD22 LEU A 35 6.359 -8.192 5.467 1.00 0.00 H new ATOM 0 HD23 LEU A 35 7.919 -7.340 5.383 1.00 0.00 H new ATOM 526 N ILE A 36 8.883 -9.944 0.921 1.00 0.00 N ATOM 527 CA ILE A 36 8.917 -9.451 -0.450 1.00 0.00 C ATOM 528 C ILE A 36 7.535 -9.098 -0.974 1.00 0.00 C ATOM 529 O ILE A 36 6.631 -9.929 -0.975 1.00 0.00 O ATOM 530 CB ILE A 36 9.550 -10.499 -1.390 1.00 0.00 C ATOM 531 CG1 ILE A 36 10.323 -11.560 -0.589 1.00 0.00 C ATOM 532 CG2 ILE A 36 10.452 -9.820 -2.407 1.00 0.00 C ATOM 533 CD1 ILE A 36 10.620 -12.816 -1.376 1.00 0.00 C ATOM 0 H ILE A 36 8.345 -10.801 1.052 1.00 0.00 H new ATOM 0 HA ILE A 36 9.521 -8.544 -0.435 1.00 0.00 H new ATOM 0 HB ILE A 36 8.749 -11.007 -1.927 1.00 0.00 H new ATOM 0 HG12 ILE A 36 11.262 -11.128 -0.242 1.00 0.00 H new ATOM 0 HG13 ILE A 36 9.747 -11.825 0.298 1.00 0.00 H new ATOM 0 HG21 ILE A 36 10.891 -10.572 -3.063 1.00 0.00 H new ATOM 0 HG22 ILE A 36 9.867 -9.118 -3.001 1.00 0.00 H new ATOM 0 HG23 ILE A 36 11.246 -9.283 -1.888 1.00 0.00 H new ATOM 0 HD11 ILE A 36 11.167 -13.519 -0.747 1.00 0.00 H new ATOM 0 HD12 ILE A 36 9.685 -13.272 -1.701 1.00 0.00 H new ATOM 0 HD13 ILE A 36 11.223 -12.565 -2.249 1.00 0.00 H new ATOM 545 N LEU A 37 7.391 -7.861 -1.446 1.00 0.00 N ATOM 546 CA LEU A 37 6.130 -7.399 -2.003 1.00 0.00 C ATOM 547 C LEU A 37 6.092 -7.672 -3.501 1.00 0.00 C ATOM 548 O LEU A 37 6.861 -7.093 -4.269 1.00 0.00 O ATOM 549 CB LEU A 37 5.938 -5.909 -1.730 1.00 0.00 C ATOM 550 CG LEU A 37 4.503 -5.403 -1.873 1.00 0.00 C ATOM 551 CD1 LEU A 37 3.692 -5.742 -0.629 1.00 0.00 C ATOM 552 CD2 LEU A 37 4.490 -3.905 -2.129 1.00 0.00 C ATOM 0 H LEU A 37 8.135 -7.163 -1.452 1.00 0.00 H new ATOM 0 HA LEU A 37 5.316 -7.943 -1.524 1.00 0.00 H new ATOM 0 HB2 LEU A 37 6.284 -5.693 -0.719 1.00 0.00 H new ATOM 0 HB3 LEU A 37 6.575 -5.346 -2.412 1.00 0.00 H new ATOM 0 HG LEU A 37 4.045 -5.901 -2.728 1.00 0.00 H new ATOM 0 HD11 LEU A 37 2.673 -5.374 -0.748 1.00 0.00 H new ATOM 0 HD12 LEU A 37 3.674 -6.823 -0.490 1.00 0.00 H new ATOM 0 HD13 LEU A 37 4.148 -5.272 0.242 1.00 0.00 H new ATOM 0 HD21 LEU A 37 3.460 -3.562 -2.228 1.00 0.00 H new ATOM 0 HD22 LEU A 37 4.966 -3.389 -1.295 1.00 0.00 H new ATOM 0 HD23 LEU A 37 5.035 -3.688 -3.048 1.00 0.00 H new ATOM 564 N ALA A 38 5.198 -8.567 -3.906 1.00 0.00 N ATOM 565 CA ALA A 38 5.056 -8.940 -5.308 1.00 0.00 C ATOM 566 C ALA A 38 4.572 -7.769 -6.158 1.00 0.00 C ATOM 567 O ALA A 38 4.866 -7.712 -7.353 1.00 0.00 O ATOM 568 CB ALA A 38 4.108 -10.121 -5.446 1.00 0.00 C ATOM 0 H ALA A 38 4.556 -9.051 -3.278 1.00 0.00 H new ATOM 0 HA ALA A 38 6.041 -9.228 -5.675 1.00 0.00 H new ATOM 0 HB1 ALA A 38 4.011 -10.389 -6.498 1.00 0.00 H new ATOM 0 HB2 ALA A 38 4.503 -10.971 -4.890 1.00 0.00 H new ATOM 0 HB3 ALA A 38 3.130 -9.850 -5.049 1.00 0.00 H new ATOM 574 N GLY A 39 3.842 -6.829 -5.548 1.00 0.00 N ATOM 575 CA GLY A 39 3.363 -5.683 -6.306 1.00 0.00 C ATOM 576 C GLY A 39 2.211 -4.944 -5.650 1.00 0.00 C ATOM 577 O GLY A 39 1.591 -5.444 -4.712 1.00 0.00 O ATOM 0 H GLY A 39 3.579 -6.841 -4.562 1.00 0.00 H new ATOM 0 HA2 GLY A 39 4.189 -4.988 -6.454 1.00 0.00 H new ATOM 0 HA3 GLY A 39 3.049 -6.020 -7.294 1.00 0.00 H new ATOM 581 N VAL A 40 1.929 -3.744 -6.166 1.00 0.00 N ATOM 582 CA VAL A 40 0.846 -2.904 -5.659 1.00 0.00 C ATOM 583 C VAL A 40 -0.510 -3.411 -6.159 1.00 0.00 C ATOM 584 O VAL A 40 -0.653 -3.771 -7.329 1.00 0.00 O ATOM 585 CB VAL A 40 1.048 -1.426 -6.088 1.00 0.00 C ATOM 586 CG1 VAL A 40 -0.252 -0.629 -6.009 1.00 0.00 C ATOM 587 CG2 VAL A 40 2.136 -0.765 -5.242 1.00 0.00 C ATOM 0 H VAL A 40 2.444 -3.331 -6.944 1.00 0.00 H new ATOM 0 HA VAL A 40 0.862 -2.957 -4.570 1.00 0.00 H new ATOM 0 HB VAL A 40 1.367 -1.429 -7.130 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -0.067 0.400 -6.317 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -0.995 -1.078 -6.669 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -0.624 -0.640 -4.984 1.00 0.00 H new ATOM 0 HG21 VAL A 40 2.263 0.271 -5.557 1.00 0.00 H new ATOM 0 HG22 VAL A 40 1.846 -0.791 -4.192 1.00 0.00 H new ATOM 0 HG23 VAL A 40 3.075 -1.302 -5.373 1.00 0.00 H new ATOM 597 N ASP A 41 -1.499 -3.438 -5.264 1.00 0.00 N ATOM 598 CA ASP A 41 -2.842 -3.902 -5.612 1.00 0.00 C ATOM 599 C ASP A 41 -3.820 -2.730 -5.722 1.00 0.00 C ATOM 600 O ASP A 41 -4.302 -2.415 -6.811 1.00 0.00 O ATOM 601 CB ASP A 41 -3.343 -4.903 -4.566 1.00 0.00 C ATOM 602 CG ASP A 41 -4.283 -5.938 -5.151 1.00 0.00 C ATOM 603 OD1 ASP A 41 -3.789 -6.945 -5.698 1.00 0.00 O ATOM 604 OD2 ASP A 41 -5.513 -5.741 -5.062 1.00 0.00 O ATOM 0 H ASP A 41 -1.395 -3.144 -4.293 1.00 0.00 H new ATOM 0 HA ASP A 41 -2.787 -4.394 -6.583 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -2.489 -5.408 -4.114 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -3.854 -4.364 -3.768 1.00 0.00 H new ATOM 609 N ALA A 42 -4.107 -2.096 -4.585 1.00 0.00 N ATOM 610 CA ALA A 42 -5.027 -0.959 -4.533 1.00 0.00 C ATOM 611 C ALA A 42 -4.850 -0.185 -3.228 1.00 0.00 C ATOM 612 O ALA A 42 -4.106 -0.617 -2.346 1.00 0.00 O ATOM 613 CB ALA A 42 -6.466 -1.438 -4.680 1.00 0.00 C ATOM 0 H ALA A 42 -3.712 -2.353 -3.680 1.00 0.00 H new ATOM 0 HA ALA A 42 -4.798 -0.289 -5.361 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -7.140 -0.582 -4.640 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -6.584 -1.948 -5.636 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -6.705 -2.127 -3.870 1.00 0.00 H new ATOM 619 N GLY A 43 -5.530 0.956 -3.098 1.00 0.00 N ATOM 620 CA GLY A 43 -5.402 1.738 -1.881 1.00 0.00 C ATOM 621 C GLY A 43 -6.393 2.872 -1.765 1.00 0.00 C ATOM 622 O GLY A 43 -7.406 2.904 -2.458 1.00 0.00 O ATOM 0 H GLY A 43 -6.157 1.346 -3.802 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -5.522 1.076 -1.023 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -4.393 2.146 -1.829 1.00 0.00 H new ATOM 626 N GLN A 44 -6.091 3.794 -0.854 1.00 0.00 N ATOM 627 CA GLN A 44 -6.943 4.939 -0.586 1.00 0.00 C ATOM 628 C GLN A 44 -6.135 6.108 -0.031 1.00 0.00 C ATOM 629 O GLN A 44 -5.261 5.922 0.815 1.00 0.00 O ATOM 630 CB GLN A 44 -8.022 4.522 0.406 1.00 0.00 C ATOM 631 CG GLN A 44 -9.207 3.856 -0.267 1.00 0.00 C ATOM 632 CD GLN A 44 -10.401 3.694 0.654 1.00 0.00 C ATOM 633 OE1 GLN A 44 -10.889 4.665 1.231 1.00 0.00 O ATOM 634 NE2 GLN A 44 -10.879 2.463 0.797 1.00 0.00 N ATOM 0 H GLN A 44 -5.247 3.764 -0.283 1.00 0.00 H new ATOM 0 HA GLN A 44 -7.401 5.271 -1.518 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -7.593 3.838 1.138 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -8.366 5.400 0.953 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -9.503 4.445 -1.135 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -8.904 2.876 -0.635 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -10.444 1.686 0.300 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -11.681 2.295 1.404 1.00 0.00 H new ATOM 643 N ILE A 45 -6.434 7.312 -0.513 1.00 0.00 N ATOM 644 CA ILE A 45 -5.732 8.514 -0.072 1.00 0.00 C ATOM 645 C ILE A 45 -6.673 9.460 0.666 1.00 0.00 C ATOM 646 O ILE A 45 -7.725 9.834 0.145 1.00 0.00 O ATOM 647 CB ILE A 45 -5.089 9.258 -1.258 1.00 0.00 C ATOM 648 CG1 ILE A 45 -4.468 8.258 -2.232 1.00 0.00 C ATOM 649 CG2 ILE A 45 -4.036 10.241 -0.761 1.00 0.00 C ATOM 650 CD1 ILE A 45 -3.835 8.906 -3.435 1.00 0.00 C ATOM 0 H ILE A 45 -7.159 7.481 -1.210 1.00 0.00 H new ATOM 0 HA ILE A 45 -4.944 8.190 0.608 1.00 0.00 H new ATOM 0 HB ILE A 45 -5.864 9.819 -1.780 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -3.715 7.671 -1.707 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -5.238 7.563 -2.567 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -3.591 10.758 -1.611 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -4.502 10.969 -0.097 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -3.260 9.700 -0.219 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -3.414 8.137 -4.083 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -4.589 9.470 -3.983 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -3.043 9.580 -3.110 1.00 0.00 H new ATOM 662 N ILE A 46 -6.286 9.844 1.880 1.00 0.00 N ATOM 663 CA ILE A 46 -7.091 10.749 2.692 1.00 0.00 C ATOM 664 C ILE A 46 -6.417 12.115 2.803 1.00 0.00 C ATOM 665 O ILE A 46 -5.289 12.234 3.313 1.00 0.00 O ATOM 666 CB ILE A 46 -7.355 10.163 4.094 1.00 0.00 C ATOM 667 CG1 ILE A 46 -8.042 8.798 3.966 1.00 0.00 C ATOM 668 CG2 ILE A 46 -8.208 11.119 4.918 1.00 0.00 C ATOM 669 CD1 ILE A 46 -8.050 7.991 5.247 1.00 0.00 C ATOM 0 H ILE A 46 -5.418 9.541 2.322 1.00 0.00 H new ATOM 0 HA ILE A 46 -8.053 10.873 2.195 1.00 0.00 H new ATOM 0 HB ILE A 46 -6.403 10.029 4.608 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -9.070 8.949 3.637 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -7.541 8.222 3.189 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -8.385 10.690 5.904 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -7.688 12.071 5.024 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -9.162 11.280 4.416 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -8.553 7.040 5.075 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -7.025 7.806 5.567 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -8.578 8.545 6.023 1.00 0.00 H new ATOM 681 N LYS A 47 -7.107 13.137 2.284 1.00 0.00 N ATOM 682 CA LYS A 47 -6.588 14.500 2.283 1.00 0.00 C ATOM 683 C LYS A 47 -7.646 15.543 2.667 1.00 0.00 C ATOM 684 O LYS A 47 -8.850 15.295 2.585 1.00 0.00 O ATOM 685 CB LYS A 47 -6.006 14.824 0.899 1.00 0.00 C ATOM 686 CG LYS A 47 -6.988 15.477 -0.066 1.00 0.00 C ATOM 687 CD LYS A 47 -8.207 14.598 -0.317 1.00 0.00 C ATOM 688 CE LYS A 47 -8.546 14.512 -1.797 1.00 0.00 C ATOM 689 NZ LYS A 47 -8.797 15.853 -2.396 1.00 0.00 N ATOM 0 H LYS A 47 -8.029 13.040 1.859 1.00 0.00 H new ATOM 0 HA LYS A 47 -5.809 14.551 3.043 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -5.148 15.484 1.026 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -5.635 13.902 0.451 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -7.310 16.437 0.338 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -6.486 15.681 -1.012 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -8.020 13.597 0.072 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -9.062 14.997 0.229 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -7.727 14.026 -2.328 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -9.428 13.886 -1.930 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -9.265 15.739 -3.318 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -9.409 16.407 -1.763 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -7.893 16.350 -2.526 1.00 0.00 H new ATOM 703 N GLY A 48 -7.159 16.727 3.041 1.00 0.00 N ATOM 704 CA GLY A 48 -8.013 17.855 3.392 1.00 0.00 C ATOM 705 C GLY A 48 -7.477 19.111 2.733 1.00 0.00 C ATOM 706 O GLY A 48 -8.026 19.592 1.741 1.00 0.00 O ATOM 0 H GLY A 48 -6.161 16.928 3.108 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -9.036 17.667 3.066 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -8.042 17.982 4.474 1.00 0.00 H new ATOM 710 N ILE A 49 -6.350 19.587 3.257 1.00 0.00 N ATOM 711 CA ILE A 49 -5.639 20.735 2.706 1.00 0.00 C ATOM 712 C ILE A 49 -4.245 20.239 2.324 1.00 0.00 C ATOM 713 O ILE A 49 -3.480 19.810 3.191 1.00 0.00 O ATOM 714 CB ILE A 49 -5.558 21.918 3.708 1.00 0.00 C ATOM 715 CG1 ILE A 49 -5.312 23.231 2.959 1.00 0.00 C ATOM 716 CG2 ILE A 49 -4.476 21.686 4.757 1.00 0.00 C ATOM 717 CD1 ILE A 49 -5.458 24.463 3.827 1.00 0.00 C ATOM 0 H ILE A 49 -5.903 19.184 4.080 1.00 0.00 H new ATOM 0 HA ILE A 49 -6.173 21.127 1.840 1.00 0.00 H new ATOM 0 HB ILE A 49 -6.513 21.984 4.229 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -4.309 23.214 2.534 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -6.011 23.300 2.125 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -4.446 22.533 5.442 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -4.699 20.776 5.314 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -3.509 21.583 4.265 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -5.269 25.354 3.228 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -6.469 24.505 4.232 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -4.741 24.418 4.646 1.00 0.00 H new ATOM 729 N PRO A 50 -3.911 20.185 1.023 1.00 0.00 N ATOM 730 CA PRO A 50 -2.635 19.627 0.600 1.00 0.00 C ATOM 731 C PRO A 50 -1.441 20.563 0.684 1.00 0.00 C ATOM 732 O PRO A 50 -1.310 21.529 -0.069 1.00 0.00 O ATOM 733 CB PRO A 50 -2.892 19.222 -0.839 1.00 0.00 C ATOM 734 CG PRO A 50 -3.892 20.219 -1.323 1.00 0.00 C ATOM 735 CD PRO A 50 -4.758 20.558 -0.128 1.00 0.00 C ATOM 0 HA PRO A 50 -2.347 18.815 1.268 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -1.978 19.254 -1.432 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -3.279 18.205 -0.904 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -3.398 21.110 -1.712 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -4.492 19.807 -2.135 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -5.020 21.616 -0.108 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -5.693 19.998 -0.137 1.00 0.00 H new ATOM 743 N HIS A 51 -0.540 20.179 1.568 1.00 0.00 N ATOM 744 CA HIS A 51 0.734 20.851 1.772 1.00 0.00 C ATOM 745 C HIS A 51 1.840 19.814 1.535 1.00 0.00 C ATOM 746 O HIS A 51 2.966 19.958 2.011 1.00 0.00 O ATOM 747 CB HIS A 51 0.821 21.420 3.193 1.00 0.00 C ATOM 748 CG HIS A 51 0.997 22.906 3.246 1.00 0.00 C ATOM 749 ND1 HIS A 51 1.972 23.578 2.540 1.00 0.00 N ATOM 750 CD2 HIS A 51 0.316 23.851 3.936 1.00 0.00 C ATOM 751 CE1 HIS A 51 1.883 24.872 2.794 1.00 0.00 C ATOM 752 NE2 HIS A 51 0.886 25.063 3.637 1.00 0.00 N ATOM 0 H HIS A 51 -0.674 19.373 2.179 1.00 0.00 H new ATOM 0 HA HIS A 51 0.841 21.688 1.082 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -0.085 21.153 3.736 1.00 0.00 H new ATOM 0 HB3 HIS A 51 1.655 20.947 3.712 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -0.520 23.682 4.598 1.00 0.00 H new ATOM 0 HE1 HIS A 51 2.518 25.642 2.382 1.00 0.00 H new ATOM 0 HE2 HIS A 51 0.587 25.966 4.007 1.00 0.00 H new ATOM 761 N TRP A 52 1.464 18.743 0.813 1.00 0.00 N ATOM 762 CA TRP A 52 2.337 17.620 0.503 1.00 0.00 C ATOM 763 C TRP A 52 2.599 16.763 1.744 1.00 0.00 C ATOM 764 O TRP A 52 3.659 16.155 1.893 1.00 0.00 O ATOM 765 CB TRP A 52 3.626 18.074 -0.181 1.00 0.00 C ATOM 766 CG TRP A 52 3.958 17.260 -1.404 1.00 0.00 C ATOM 767 CD1 TRP A 52 5.197 17.089 -1.948 1.00 0.00 C ATOM 768 CD2 TRP A 52 3.048 16.502 -2.235 1.00 0.00 C ATOM 769 NE1 TRP A 52 5.126 16.274 -3.050 1.00 0.00 N ATOM 770 CE2 TRP A 52 3.823 15.897 -3.245 1.00 0.00 C ATOM 771 CE3 TRP A 52 1.659 16.266 -2.226 1.00 0.00 C ATOM 772 CZ2 TRP A 52 3.267 15.078 -4.225 1.00 0.00 C ATOM 773 CZ3 TRP A 52 1.115 15.450 -3.200 1.00 0.00 C ATOM 774 CH2 TRP A 52 1.918 14.861 -4.187 1.00 0.00 C ATOM 0 H TRP A 52 0.526 18.642 0.426 1.00 0.00 H new ATOM 0 HA TRP A 52 1.819 16.985 -0.216 1.00 0.00 H new ATOM 0 HB2 TRP A 52 3.532 19.123 -0.463 1.00 0.00 H new ATOM 0 HB3 TRP A 52 4.451 18.008 0.528 1.00 0.00 H new ATOM 0 HD1 TRP A 52 6.105 17.532 -1.566 1.00 0.00 H new ATOM 0 HE1 TRP A 52 5.916 15.994 -3.631 1.00 0.00 H new ATOM 0 HE3 TRP A 52 1.030 16.715 -1.471 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 3.882 14.629 -4.991 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 0.051 15.263 -3.201 1.00 0.00 H new ATOM 0 HH2 TRP A 52 1.462 14.224 -4.931 1.00 0.00 H new ATOM 785 N ASP A 53 1.581 16.699 2.610 1.00 0.00 N ATOM 786 CA ASP A 53 1.613 15.895 3.831 1.00 0.00 C ATOM 787 C ASP A 53 0.446 14.893 3.818 1.00 0.00 C ATOM 788 O ASP A 53 -0.066 14.499 4.868 1.00 0.00 O ATOM 789 CB ASP A 53 1.536 16.795 5.071 1.00 0.00 C ATOM 790 CG ASP A 53 0.306 17.685 5.079 1.00 0.00 C ATOM 791 OD1 ASP A 53 0.364 18.781 4.485 1.00 0.00 O ATOM 792 OD2 ASP A 53 -0.714 17.286 5.681 1.00 0.00 O ATOM 0 H ASP A 53 0.707 17.208 2.480 1.00 0.00 H new ATOM 0 HA ASP A 53 2.554 15.346 3.871 1.00 0.00 H new ATOM 0 HB2 ASP A 53 1.534 16.173 5.966 1.00 0.00 H new ATOM 0 HB3 ASP A 53 2.429 17.418 5.118 1.00 0.00 H new ATOM 797 N ASN A 54 0.010 14.526 2.607 1.00 0.00 N ATOM 798 CA ASN A 54 -1.123 13.620 2.400 1.00 0.00 C ATOM 799 C ASN A 54 -0.945 12.262 3.079 1.00 0.00 C ATOM 800 O ASN A 54 0.171 11.751 3.192 1.00 0.00 O ATOM 801 CB ASN A 54 -1.357 13.424 0.896 1.00 0.00 C ATOM 802 CG ASN A 54 -2.822 13.513 0.523 1.00 0.00 C ATOM 803 OD1 ASN A 54 -3.263 14.496 -0.071 1.00 0.00 O ATOM 804 ND2 ASN A 54 -3.586 12.485 0.871 1.00 0.00 N ATOM 0 H ASN A 54 0.436 14.852 1.740 1.00 0.00 H new ATOM 0 HA ASN A 54 -1.991 14.088 2.865 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -0.798 14.178 0.343 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -0.966 12.452 0.594 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -4.581 12.490 0.647 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -3.178 11.690 1.363 1.00 0.00 H new ATOM 811 N TYR A 55 -2.072 11.676 3.512 1.00 0.00 N ATOM 812 CA TYR A 55 -2.062 10.367 4.162 1.00 0.00 C ATOM 813 C TYR A 55 -2.439 9.281 3.155 1.00 0.00 C ATOM 814 O TYR A 55 -3.403 9.435 2.403 1.00 0.00 O ATOM 815 CB TYR A 55 -3.036 10.353 5.345 1.00 0.00 C ATOM 816 CG TYR A 55 -2.370 10.222 6.702 1.00 0.00 C ATOM 817 CD1 TYR A 55 -1.034 10.561 6.887 1.00 0.00 C ATOM 818 CD2 TYR A 55 -3.084 9.758 7.800 1.00 0.00 C ATOM 819 CE1 TYR A 55 -0.433 10.440 8.125 1.00 0.00 C ATOM 820 CE2 TYR A 55 -2.489 9.636 9.040 1.00 0.00 C ATOM 821 CZ TYR A 55 -1.164 9.978 9.197 1.00 0.00 C ATOM 822 OH TYR A 55 -0.570 9.858 10.432 1.00 0.00 O ATOM 0 H TYR A 55 -2.999 12.092 3.421 1.00 0.00 H new ATOM 0 HA TYR A 55 -1.058 10.168 4.537 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -3.622 11.272 5.328 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -3.735 9.527 5.215 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -0.457 10.925 6.050 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -4.123 9.488 7.681 1.00 0.00 H new ATOM 0 HE1 TYR A 55 0.606 10.707 8.252 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -3.060 9.274 9.883 1.00 0.00 H new ATOM 0 HH TYR A 55 -1.224 9.519 11.078 1.00 0.00 H new ATOM 832 N TYR A 56 -1.664 8.195 3.128 1.00 0.00 N ATOM 833 CA TYR A 56 -1.912 7.102 2.192 1.00 0.00 C ATOM 834 C TYR A 56 -2.202 5.780 2.915 1.00 0.00 C ATOM 835 O TYR A 56 -1.519 5.412 3.870 1.00 0.00 O ATOM 836 CB TYR A 56 -0.710 6.951 1.251 1.00 0.00 C ATOM 837 CG TYR A 56 -0.672 7.988 0.144 1.00 0.00 C ATOM 838 CD1 TYR A 56 -0.334 9.306 0.430 1.00 0.00 C ATOM 839 CD2 TYR A 56 -0.970 7.661 -1.180 1.00 0.00 C ATOM 840 CE1 TYR A 56 -0.296 10.267 -0.558 1.00 0.00 C ATOM 841 CE2 TYR A 56 -0.932 8.621 -2.173 1.00 0.00 C ATOM 842 CZ TYR A 56 -0.597 9.920 -1.857 1.00 0.00 C ATOM 843 OH TYR A 56 -0.563 10.875 -2.845 1.00 0.00 O ATOM 0 H TYR A 56 -0.862 8.051 3.742 1.00 0.00 H new ATOM 0 HA TYR A 56 -2.801 7.348 1.612 1.00 0.00 H new ATOM 0 HB2 TYR A 56 0.208 7.020 1.834 1.00 0.00 H new ATOM 0 HB3 TYR A 56 -0.731 5.956 0.805 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -0.096 9.583 1.447 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -1.234 6.644 -1.431 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -0.032 11.286 -0.315 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -1.164 8.354 -3.194 1.00 0.00 H new ATOM 0 HH TYR A 56 -0.799 10.466 -3.704 1.00 0.00 H new ATOM 853 N ASN A 57 -3.226 5.078 2.431 1.00 0.00 N ATOM 854 CA ASN A 57 -3.650 3.789 2.985 1.00 0.00 C ATOM 855 C ASN A 57 -3.801 2.789 1.845 1.00 0.00 C ATOM 856 O ASN A 57 -4.678 2.960 1.008 1.00 0.00 O ATOM 857 CB ASN A 57 -4.992 3.953 3.711 1.00 0.00 C ATOM 858 CG ASN A 57 -5.399 2.715 4.493 1.00 0.00 C ATOM 859 OD1 ASN A 57 -4.603 1.795 4.686 1.00 0.00 O ATOM 860 ND2 ASN A 57 -6.646 2.686 4.953 1.00 0.00 N ATOM 0 H ASN A 57 -3.789 5.388 1.639 1.00 0.00 H new ATOM 0 HA ASN A 57 -2.905 3.430 3.695 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -4.929 4.802 4.392 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -5.767 4.186 2.981 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -6.974 1.881 5.487 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -7.275 3.468 4.772 1.00 0.00 H new ATOM 867 N LEU A 58 -2.941 1.769 1.770 1.00 0.00 N ATOM 868 CA LEU A 58 -3.040 0.825 0.648 1.00 0.00 C ATOM 869 C LEU A 58 -2.777 -0.635 1.016 1.00 0.00 C ATOM 870 O LEU A 58 -2.205 -0.949 2.060 1.00 0.00 O ATOM 871 CB LEU A 58 -2.071 1.246 -0.459 1.00 0.00 C ATOM 872 CG LEU A 58 -2.246 2.680 -0.964 1.00 0.00 C ATOM 873 CD1 LEU A 58 -1.259 3.611 -0.275 1.00 0.00 C ATOM 874 CD2 LEU A 58 -2.082 2.742 -2.476 1.00 0.00 C ATOM 0 H LEU A 58 -2.197 1.578 2.441 1.00 0.00 H new ATOM 0 HA LEU A 58 -4.077 0.870 0.314 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -1.051 1.128 -0.092 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -2.187 0.564 -1.301 1.00 0.00 H new ATOM 0 HG LEU A 58 -3.256 3.010 -0.720 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -1.397 4.627 -0.646 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -1.431 3.591 0.801 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -0.241 3.283 -0.486 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -2.210 3.770 -2.814 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -1.086 2.392 -2.749 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -2.832 2.108 -2.950 1.00 0.00 H new ATOM 886 N ILE A 59 -3.195 -1.513 0.096 1.00 0.00 N ATOM 887 CA ILE A 59 -3.023 -2.962 0.222 1.00 0.00 C ATOM 888 C ILE A 59 -2.243 -3.487 -0.986 1.00 0.00 C ATOM 889 O ILE A 59 -2.489 -3.058 -2.115 1.00 0.00 O ATOM 890 CB ILE A 59 -4.377 -3.710 0.278 1.00 0.00 C ATOM 891 CG1 ILE A 59 -5.455 -2.858 0.962 1.00 0.00 C ATOM 892 CG2 ILE A 59 -4.217 -5.050 0.987 1.00 0.00 C ATOM 893 CD1 ILE A 59 -5.354 -2.834 2.470 1.00 0.00 C ATOM 0 H ILE A 59 -3.666 -1.233 -0.764 1.00 0.00 H new ATOM 0 HA ILE A 59 -2.487 -3.143 1.154 1.00 0.00 H new ATOM 0 HB ILE A 59 -4.702 -3.896 -0.746 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -5.388 -1.837 0.587 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -6.437 -3.238 0.680 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -5.178 -5.563 1.017 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -3.496 -5.663 0.447 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -3.862 -4.883 2.004 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -6.150 -2.211 2.878 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -5.452 -3.848 2.857 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -4.387 -2.425 2.763 1.00 0.00 H new ATOM 905 N LEU A 60 -1.302 -4.401 -0.756 1.00 0.00 N ATOM 906 CA LEU A 60 -0.496 -4.951 -1.845 1.00 0.00 C ATOM 907 C LEU A 60 -0.228 -6.452 -1.656 1.00 0.00 C ATOM 908 O LEU A 60 -0.487 -7.010 -0.586 1.00 0.00 O ATOM 909 CB LEU A 60 0.833 -4.188 -1.953 1.00 0.00 C ATOM 910 CG LEU A 60 0.786 -2.700 -1.569 1.00 0.00 C ATOM 911 CD1 LEU A 60 0.854 -2.523 -0.058 1.00 0.00 C ATOM 912 CD2 LEU A 60 1.918 -1.942 -2.245 1.00 0.00 C ATOM 0 H LEU A 60 -1.080 -4.774 0.167 1.00 0.00 H new ATOM 0 HA LEU A 60 -1.062 -4.830 -2.769 1.00 0.00 H new ATOM 0 HB2 LEU A 60 1.567 -4.684 -1.318 1.00 0.00 H new ATOM 0 HB3 LEU A 60 1.193 -4.267 -2.979 1.00 0.00 H new ATOM 0 HG LEU A 60 -0.163 -2.291 -1.914 1.00 0.00 H new ATOM 0 HD11 LEU A 60 0.819 -1.461 0.186 1.00 0.00 H new ATOM 0 HD12 LEU A 60 0.008 -3.030 0.406 1.00 0.00 H new ATOM 0 HD13 LEU A 60 1.784 -2.951 0.317 1.00 0.00 H new ATOM 0 HD21 LEU A 60 1.871 -0.890 -1.963 1.00 0.00 H new ATOM 0 HD22 LEU A 60 2.874 -2.360 -1.930 1.00 0.00 H new ATOM 0 HD23 LEU A 60 1.821 -2.032 -3.327 1.00 0.00 H new ATOM 924 N SER A 61 0.301 -7.094 -2.707 1.00 0.00 N ATOM 925 CA SER A 61 0.622 -8.526 -2.670 1.00 0.00 C ATOM 926 C SER A 61 2.069 -8.731 -2.232 1.00 0.00 C ATOM 927 O SER A 61 2.958 -7.991 -2.664 1.00 0.00 O ATOM 928 CB SER A 61 0.409 -9.172 -4.042 1.00 0.00 C ATOM 929 OG SER A 61 -0.924 -9.006 -4.489 1.00 0.00 O ATOM 0 H SER A 61 0.516 -6.642 -3.596 1.00 0.00 H new ATOM 0 HA SER A 61 -0.047 -9.001 -1.952 1.00 0.00 H new ATOM 0 HB2 SER A 61 1.095 -8.730 -4.765 1.00 0.00 H new ATOM 0 HB3 SER A 61 0.646 -10.234 -3.987 1.00 0.00 H new ATOM 0 HG SER A 61 -1.029 -9.427 -5.368 1.00 0.00 H new ATOM 935 N ALA A 62 2.302 -9.732 -1.373 1.00 0.00 N ATOM 936 CA ALA A 62 3.652 -10.017 -0.876 1.00 0.00 C ATOM 937 C ALA A 62 3.816 -11.465 -0.405 1.00 0.00 C ATOM 938 O ALA A 62 2.887 -12.068 0.135 1.00 0.00 O ATOM 939 CB ALA A 62 4.002 -9.061 0.255 1.00 0.00 C ATOM 0 H ALA A 62 1.579 -10.353 -1.011 1.00 0.00 H new ATOM 0 HA ALA A 62 4.337 -9.873 -1.712 1.00 0.00 H new ATOM 0 HB1 ALA A 62 5.006 -9.279 0.618 1.00 0.00 H new ATOM 0 HB2 ALA A 62 3.964 -8.035 -0.111 1.00 0.00 H new ATOM 0 HB3 ALA A 62 3.287 -9.183 1.069 1.00 0.00 H new ATOM 945 N LYS A 63 5.023 -12.001 -0.598 1.00 0.00 N ATOM 946 CA LYS A 63 5.353 -13.361 -0.179 1.00 0.00 C ATOM 947 C LYS A 63 6.834 -13.470 0.182 1.00 0.00 C ATOM 948 O LYS A 63 7.628 -12.580 -0.135 1.00 0.00 O ATOM 949 CB LYS A 63 4.977 -14.393 -1.248 1.00 0.00 C ATOM 950 CG LYS A 63 5.305 -13.990 -2.677 1.00 0.00 C ATOM 951 CD LYS A 63 6.776 -14.205 -2.999 1.00 0.00 C ATOM 952 CE LYS A 63 7.451 -12.910 -3.419 1.00 0.00 C ATOM 953 NZ LYS A 63 8.578 -13.149 -4.363 1.00 0.00 N ATOM 0 H LYS A 63 5.794 -11.506 -1.047 1.00 0.00 H new ATOM 0 HA LYS A 63 4.762 -13.582 0.710 1.00 0.00 H new ATOM 0 HB2 LYS A 63 5.490 -15.328 -1.024 1.00 0.00 H new ATOM 0 HB3 LYS A 63 3.907 -14.591 -1.179 1.00 0.00 H new ATOM 0 HG2 LYS A 63 4.693 -14.569 -3.368 1.00 0.00 H new ATOM 0 HG3 LYS A 63 5.049 -12.941 -2.827 1.00 0.00 H new ATOM 0 HD2 LYS A 63 7.284 -14.615 -2.126 1.00 0.00 H new ATOM 0 HD3 LYS A 63 6.871 -14.941 -3.797 1.00 0.00 H new ATOM 0 HE2 LYS A 63 6.718 -12.255 -3.889 1.00 0.00 H new ATOM 0 HE3 LYS A 63 7.822 -12.391 -2.535 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 9.011 -12.240 -4.624 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 9.291 -13.753 -3.907 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 8.220 -13.621 -5.218 1.00 0.00 H new ATOM 967 N HIS A 64 7.193 -14.550 0.874 1.00 0.00 N ATOM 968 CA HIS A 64 8.571 -14.767 1.303 1.00 0.00 C ATOM 969 C HIS A 64 9.307 -15.783 0.420 1.00 0.00 C ATOM 970 O HIS A 64 10.493 -16.038 0.635 1.00 0.00 O ATOM 971 CB HIS A 64 8.590 -15.243 2.754 1.00 0.00 C ATOM 972 CG HIS A 64 8.326 -14.157 3.749 1.00 0.00 C ATOM 973 ND1 HIS A 64 9.165 -13.485 4.569 1.00 0.00 N flip ATOM 974 CD2 HIS A 64 7.069 -13.647 3.989 1.00 0.00 C flip ATOM 975 CE1 HIS A 64 8.408 -12.590 5.283 1.00 0.00 C flip ATOM 976 NE2 HIS A 64 7.146 -12.708 4.913 1.00 0.00 N flip ATOM 0 H HIS A 64 6.546 -15.289 1.149 1.00 0.00 H new ATOM 0 HA HIS A 64 9.093 -13.814 1.210 1.00 0.00 H new ATOM 0 HB2 HIS A 64 7.843 -16.027 2.879 1.00 0.00 H new ATOM 0 HB3 HIS A 64 9.561 -15.690 2.967 1.00 0.00 H new ATOM 0 HD2 HIS A 64 6.162 -13.966 3.497 1.00 0.00 H new ATOM 0 HE1 HIS A 64 8.783 -11.902 6.026 1.00 0.00 H new ATOM 0 HE2 HIS A 64 6.364 -12.166 5.279 1.00 0.00 H new ATOM 985 N SER A 65 8.614 -16.371 -0.562 1.00 0.00 N ATOM 986 CA SER A 65 9.241 -17.357 -1.440 1.00 0.00 C ATOM 987 C SER A 65 8.656 -17.325 -2.853 1.00 0.00 C ATOM 988 O SER A 65 7.455 -17.119 -3.039 1.00 0.00 O ATOM 989 CB SER A 65 9.098 -18.762 -0.843 1.00 0.00 C ATOM 990 OG SER A 65 8.294 -19.602 -1.654 1.00 0.00 O ATOM 0 H SER A 65 7.632 -16.183 -0.765 1.00 0.00 H new ATOM 0 HA SER A 65 10.297 -17.099 -1.517 1.00 0.00 H new ATOM 0 HB2 SER A 65 10.085 -19.208 -0.725 1.00 0.00 H new ATOM 0 HB3 SER A 65 8.659 -18.691 0.152 1.00 0.00 H new ATOM 0 HG SER A 65 8.356 -20.525 -1.331 1.00 0.00 H new ATOM 996 N PRO A 66 9.511 -17.563 -3.867 1.00 0.00 N ATOM 997 CA PRO A 66 9.097 -17.590 -5.277 1.00 0.00 C ATOM 998 C PRO A 66 8.137 -18.743 -5.573 1.00 0.00 C ATOM 999 O PRO A 66 7.248 -18.619 -6.417 1.00 0.00 O ATOM 1000 CB PRO A 66 10.416 -17.785 -6.035 1.00 0.00 C ATOM 1001 CG PRO A 66 11.334 -18.416 -5.047 1.00 0.00 C ATOM 1002 CD PRO A 66 10.948 -17.851 -3.710 1.00 0.00 C ATOM 0 HA PRO A 66 8.559 -16.686 -5.562 1.00 0.00 H new ATOM 0 HB2 PRO A 66 10.279 -18.421 -6.910 1.00 0.00 H new ATOM 0 HB3 PRO A 66 10.812 -16.834 -6.391 1.00 0.00 H new ATOM 0 HG2 PRO A 66 11.233 -19.501 -5.057 1.00 0.00 H new ATOM 0 HG3 PRO A 66 12.375 -18.191 -5.281 1.00 0.00 H new ATOM 0 HD2 PRO A 66 11.130 -18.563 -2.905 1.00 0.00 H new ATOM 0 HD3 PRO A 66 11.516 -16.951 -3.474 1.00 0.00 H new ATOM 1010 N HIS A 67 8.324 -19.860 -4.867 1.00 0.00 N ATOM 1011 CA HIS A 67 7.481 -21.041 -5.040 1.00 0.00 C ATOM 1012 C HIS A 67 6.273 -21.018 -4.095 1.00 0.00 C ATOM 1013 O HIS A 67 5.615 -22.043 -3.907 1.00 0.00 O ATOM 1014 CB HIS A 67 8.301 -22.315 -4.805 1.00 0.00 C ATOM 1015 CG HIS A 67 9.320 -22.589 -5.870 1.00 0.00 C ATOM 1016 ND1 HIS A 67 9.593 -23.856 -6.341 1.00 0.00 N ATOM 1017 CD2 HIS A 67 10.140 -21.754 -6.553 1.00 0.00 C ATOM 1018 CE1 HIS A 67 10.534 -23.789 -7.264 1.00 0.00 C ATOM 1019 NE2 HIS A 67 10.883 -22.525 -7.412 1.00 0.00 N ATOM 0 H HIS A 67 9.057 -19.970 -4.166 1.00 0.00 H new ATOM 0 HA HIS A 67 7.107 -21.032 -6.064 1.00 0.00 H new ATOM 0 HB2 HIS A 67 8.808 -22.236 -3.843 1.00 0.00 H new ATOM 0 HB3 HIS A 67 7.622 -23.165 -4.739 1.00 0.00 H new ATOM 0 HD2 HIS A 67 10.198 -20.681 -6.442 1.00 0.00 H new ATOM 0 HE1 HIS A 67 10.948 -24.626 -7.806 1.00 0.00 H new ATOM 0 HE2 HIS A 67 11.590 -22.177 -8.060 1.00 0.00 H new ATOM 1028 N GLU A 68 5.985 -19.855 -3.498 1.00 0.00 N ATOM 1029 CA GLU A 68 4.859 -19.730 -2.578 1.00 0.00 C ATOM 1030 C GLU A 68 3.819 -18.734 -3.089 1.00 0.00 C ATOM 1031 O GLU A 68 4.067 -17.979 -4.030 1.00 0.00 O ATOM 1032 CB GLU A 68 5.344 -19.314 -1.189 1.00 0.00 C ATOM 1033 CG GLU A 68 5.754 -20.492 -0.320 1.00 0.00 C ATOM 1034 CD GLU A 68 6.625 -20.090 0.856 1.00 0.00 C ATOM 1035 OE1 GLU A 68 6.228 -19.174 1.608 1.00 0.00 O ATOM 1036 OE2 GLU A 68 7.701 -20.697 1.031 1.00 0.00 O ATOM 0 H GLU A 68 6.515 -18.995 -3.637 1.00 0.00 H new ATOM 0 HA GLU A 68 4.383 -20.708 -2.512 1.00 0.00 H new ATOM 0 HB2 GLU A 68 6.191 -18.637 -1.295 1.00 0.00 H new ATOM 0 HB3 GLU A 68 4.553 -18.758 -0.686 1.00 0.00 H new ATOM 0 HG2 GLU A 68 4.859 -20.990 0.052 1.00 0.00 H new ATOM 0 HG3 GLU A 68 6.291 -21.217 -0.931 1.00 0.00 H new ATOM 1043 N PHE A 69 2.648 -18.758 -2.456 1.00 0.00 N ATOM 1044 CA PHE A 69 1.532 -17.883 -2.816 1.00 0.00 C ATOM 1045 C PHE A 69 1.847 -16.410 -2.575 1.00 0.00 C ATOM 1046 O PHE A 69 2.946 -16.056 -2.158 1.00 0.00 O ATOM 1047 CB PHE A 69 0.298 -18.264 -1.992 1.00 0.00 C ATOM 1048 CG PHE A 69 -0.487 -19.414 -2.546 1.00 0.00 C ATOM 1049 CD1 PHE A 69 0.119 -20.633 -2.804 1.00 0.00 C ATOM 1050 CD2 PHE A 69 -1.840 -19.273 -2.796 1.00 0.00 C ATOM 1051 CE1 PHE A 69 -0.616 -21.690 -3.305 1.00 0.00 C ATOM 1052 CE2 PHE A 69 -2.578 -20.324 -3.294 1.00 0.00 C ATOM 1053 CZ PHE A 69 -1.967 -21.535 -3.551 1.00 0.00 C ATOM 0 H PHE A 69 2.445 -19.385 -1.678 1.00 0.00 H new ATOM 0 HA PHE A 69 1.347 -18.017 -3.882 1.00 0.00 H new ATOM 0 HB2 PHE A 69 0.615 -18.511 -0.979 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -0.356 -17.396 -1.918 1.00 0.00 H new ATOM 0 HD1 PHE A 69 1.174 -20.758 -2.612 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -2.324 -18.328 -2.598 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -0.135 -22.636 -3.504 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -3.634 -20.201 -3.483 1.00 0.00 H new ATOM 0 HZ PHE A 69 -2.544 -22.360 -3.943 1.00 0.00 H new ATOM 1063 N SER A 70 0.840 -15.567 -2.814 1.00 0.00 N ATOM 1064 CA SER A 70 0.942 -14.127 -2.604 1.00 0.00 C ATOM 1065 C SER A 70 -0.262 -13.681 -1.794 1.00 0.00 C ATOM 1066 O SER A 70 -1.405 -13.922 -2.191 1.00 0.00 O ATOM 1067 CB SER A 70 0.980 -13.356 -3.928 1.00 0.00 C ATOM 1068 OG SER A 70 1.436 -14.170 -4.996 1.00 0.00 O ATOM 0 H SER A 70 -0.071 -15.868 -3.160 1.00 0.00 H new ATOM 0 HA SER A 70 1.873 -13.916 -2.077 1.00 0.00 H new ATOM 0 HB2 SER A 70 -0.016 -12.978 -4.158 1.00 0.00 H new ATOM 0 HB3 SER A 70 1.634 -12.490 -3.826 1.00 0.00 H new ATOM 0 HG SER A 70 1.446 -13.647 -5.825 1.00 0.00 H new ATOM 1074 N LYS A 71 -0.013 -13.065 -0.651 1.00 0.00 N ATOM 1075 CA LYS A 71 -1.096 -12.626 0.213 1.00 0.00 C ATOM 1076 C LYS A 71 -1.200 -11.105 0.256 1.00 0.00 C ATOM 1077 O LYS A 71 -0.332 -10.396 -0.256 1.00 0.00 O ATOM 1078 CB LYS A 71 -0.915 -13.216 1.612 1.00 0.00 C ATOM 1079 CG LYS A 71 -1.502 -14.618 1.748 1.00 0.00 C ATOM 1080 CD LYS A 71 -0.738 -15.650 0.923 1.00 0.00 C ATOM 1081 CE LYS A 71 0.596 -16.009 1.560 1.00 0.00 C ATOM 1082 NZ LYS A 71 1.740 -15.330 0.888 1.00 0.00 N ATOM 0 H LYS A 71 0.923 -12.858 -0.301 1.00 0.00 H new ATOM 0 HA LYS A 71 -2.036 -12.992 -0.199 1.00 0.00 H new ATOM 0 HB2 LYS A 71 0.148 -13.248 1.852 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -1.387 -12.558 2.342 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -1.490 -14.914 2.797 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -2.545 -14.605 1.433 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -1.343 -16.550 0.816 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -0.568 -15.259 -0.080 1.00 0.00 H new ATOM 0 HE2 LYS A 71 0.580 -15.733 2.614 1.00 0.00 H new ATOM 0 HE3 LYS A 71 0.739 -17.089 1.516 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 2.598 -15.909 0.993 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 1.526 -15.208 -0.122 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 1.896 -14.399 1.324 1.00 0.00 H new ATOM 1096 N PHE A 72 -2.286 -10.613 0.846 1.00 0.00 N ATOM 1097 CA PHE A 72 -2.535 -9.179 0.936 1.00 0.00 C ATOM 1098 C PHE A 72 -1.999 -8.598 2.238 1.00 0.00 C ATOM 1099 O PHE A 72 -1.959 -9.278 3.263 1.00 0.00 O ATOM 1100 CB PHE A 72 -4.038 -8.901 0.827 1.00 0.00 C ATOM 1101 CG PHE A 72 -4.634 -9.292 -0.499 1.00 0.00 C ATOM 1102 CD1 PHE A 72 -4.712 -10.623 -0.876 1.00 0.00 C ATOM 1103 CD2 PHE A 72 -5.109 -8.325 -1.368 1.00 0.00 C ATOM 1104 CE1 PHE A 72 -5.254 -10.981 -2.095 1.00 0.00 C ATOM 1105 CE2 PHE A 72 -5.651 -8.677 -2.589 1.00 0.00 C ATOM 1106 CZ PHE A 72 -5.724 -10.007 -2.953 1.00 0.00 C ATOM 0 H PHE A 72 -3.011 -11.191 1.271 1.00 0.00 H new ATOM 0 HA PHE A 72 -2.011 -8.698 0.110 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -4.556 -9.440 1.621 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -4.215 -7.839 0.995 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -4.345 -11.389 -0.209 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -5.055 -7.283 -1.088 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -5.310 -12.022 -2.377 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -6.017 -7.913 -3.258 1.00 0.00 H new ATOM 0 HZ PHE A 72 -6.148 -10.285 -3.907 1.00 0.00 H new ATOM 1116 N TYR A 73 -1.595 -7.329 2.183 1.00 0.00 N ATOM 1117 CA TYR A 73 -1.071 -6.623 3.345 1.00 0.00 C ATOM 1118 C TYR A 73 -1.514 -5.163 3.305 1.00 0.00 C ATOM 1119 O TYR A 73 -1.484 -4.534 2.249 1.00 0.00 O ATOM 1120 CB TYR A 73 0.459 -6.692 3.379 1.00 0.00 C ATOM 1121 CG TYR A 73 1.027 -8.091 3.289 1.00 0.00 C ATOM 1122 CD1 TYR A 73 1.057 -8.770 2.079 1.00 0.00 C ATOM 1123 CD2 TYR A 73 1.536 -8.728 4.413 1.00 0.00 C ATOM 1124 CE1 TYR A 73 1.576 -10.045 1.993 1.00 0.00 C ATOM 1125 CE2 TYR A 73 2.059 -10.003 4.333 1.00 0.00 C ATOM 1126 CZ TYR A 73 2.076 -10.657 3.121 1.00 0.00 C ATOM 1127 OH TYR A 73 2.596 -11.927 3.034 1.00 0.00 O ATOM 0 H TYR A 73 -1.623 -6.766 1.333 1.00 0.00 H new ATOM 0 HA TYR A 73 -1.462 -7.101 4.243 1.00 0.00 H new ATOM 0 HB2 TYR A 73 0.855 -6.099 2.554 1.00 0.00 H new ATOM 0 HB3 TYR A 73 0.810 -6.230 4.301 1.00 0.00 H new ATOM 0 HD1 TYR A 73 0.668 -8.293 1.192 1.00 0.00 H new ATOM 0 HD2 TYR A 73 1.522 -8.218 5.365 1.00 0.00 H new ATOM 0 HE1 TYR A 73 1.590 -10.562 1.045 1.00 0.00 H new ATOM 0 HE2 TYR A 73 2.453 -10.485 5.216 1.00 0.00 H new ATOM 0 HH TYR A 73 2.731 -12.162 2.092 1.00 0.00 H new ATOM 1137 N ASN A 74 -1.915 -4.630 4.454 1.00 0.00 N ATOM 1138 CA ASN A 74 -2.363 -3.243 4.549 1.00 0.00 C ATOM 1139 C ASN A 74 -1.342 -2.406 5.307 1.00 0.00 C ATOM 1140 O ASN A 74 -0.939 -2.756 6.417 1.00 0.00 O ATOM 1141 CB ASN A 74 -3.727 -3.166 5.244 1.00 0.00 C ATOM 1142 CG ASN A 74 -4.330 -1.771 5.199 1.00 0.00 C ATOM 1143 OD1 ASN A 74 -3.898 -0.917 4.424 1.00 0.00 O ATOM 1144 ND2 ASN A 74 -5.338 -1.532 6.031 1.00 0.00 N ATOM 0 H ASN A 74 -1.939 -5.139 5.337 1.00 0.00 H new ATOM 0 HA ASN A 74 -2.463 -2.845 3.539 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -4.412 -3.869 4.770 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -3.619 -3.477 6.283 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -5.783 -0.614 6.043 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -5.667 -2.266 6.658 1.00 0.00 H new ATOM 1151 N VAL A 75 -0.914 -1.309 4.686 1.00 0.00 N ATOM 1152 CA VAL A 75 0.081 -0.429 5.287 1.00 0.00 C ATOM 1153 C VAL A 75 -0.371 1.027 5.318 1.00 0.00 C ATOM 1154 O VAL A 75 -1.052 1.509 4.402 1.00 0.00 O ATOM 1155 CB VAL A 75 1.433 -0.506 4.540 1.00 0.00 C ATOM 1156 CG1 VAL A 75 2.313 -1.591 5.136 1.00 0.00 C ATOM 1157 CG2 VAL A 75 1.226 -0.741 3.050 1.00 0.00 C ATOM 0 H VAL A 75 -1.241 -1.010 3.767 1.00 0.00 H new ATOM 0 HA VAL A 75 0.204 -0.782 6.311 1.00 0.00 H new ATOM 0 HB VAL A 75 1.937 0.453 4.661 1.00 0.00 H new ATOM 0 HG11 VAL A 75 3.259 -1.629 4.597 1.00 0.00 H new ATOM 0 HG12 VAL A 75 2.503 -1.370 6.186 1.00 0.00 H new ATOM 0 HG13 VAL A 75 1.809 -2.554 5.053 1.00 0.00 H new ATOM 0 HG21 VAL A 75 2.194 -0.791 2.552 1.00 0.00 H new ATOM 0 HG22 VAL A 75 0.692 -1.680 2.900 1.00 0.00 H new ATOM 0 HG23 VAL A 75 0.643 0.079 2.630 1.00 0.00 H new ATOM 1167 N VAL A 76 0.052 1.722 6.377 1.00 0.00 N ATOM 1168 CA VAL A 76 -0.249 3.135 6.561 1.00 0.00 C ATOM 1169 C VAL A 76 0.989 3.947 6.216 1.00 0.00 C ATOM 1170 O VAL A 76 2.033 3.790 6.852 1.00 0.00 O ATOM 1171 CB VAL A 76 -0.670 3.460 8.011 1.00 0.00 C ATOM 1172 CG1 VAL A 76 -1.198 4.884 8.112 1.00 0.00 C ATOM 1173 CG2 VAL A 76 -1.705 2.464 8.513 1.00 0.00 C ATOM 0 H VAL A 76 0.612 1.317 7.127 1.00 0.00 H new ATOM 0 HA VAL A 76 -1.084 3.387 5.908 1.00 0.00 H new ATOM 0 HB VAL A 76 0.212 3.377 8.646 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -1.489 5.092 9.142 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -0.420 5.583 7.807 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -2.064 4.998 7.460 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -1.985 2.715 9.536 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -2.588 2.504 7.875 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -1.285 1.459 8.488 1.00 0.00 H new ATOM 1183 N VAL A 77 0.879 4.790 5.196 1.00 0.00 N ATOM 1184 CA VAL A 77 2.008 5.601 4.755 1.00 0.00 C ATOM 1185 C VAL A 77 1.722 7.092 4.867 1.00 0.00 C ATOM 1186 O VAL A 77 0.654 7.565 4.478 1.00 0.00 O ATOM 1187 CB VAL A 77 2.407 5.280 3.298 1.00 0.00 C ATOM 1188 CG1 VAL A 77 3.477 4.204 3.260 1.00 0.00 C ATOM 1189 CG2 VAL A 77 1.203 4.865 2.479 1.00 0.00 C ATOM 0 H VAL A 77 0.022 4.930 4.660 1.00 0.00 H new ATOM 0 HA VAL A 77 2.833 5.348 5.421 1.00 0.00 H new ATOM 0 HB VAL A 77 2.816 6.188 2.856 1.00 0.00 H new ATOM 0 HG11 VAL A 77 3.744 3.993 2.225 1.00 0.00 H new ATOM 0 HG12 VAL A 77 4.359 4.549 3.799 1.00 0.00 H new ATOM 0 HG13 VAL A 77 3.097 3.296 3.729 1.00 0.00 H new ATOM 0 HG21 VAL A 77 1.516 4.646 1.458 1.00 0.00 H new ATOM 0 HG22 VAL A 77 0.752 3.976 2.920 1.00 0.00 H new ATOM 0 HG23 VAL A 77 0.473 5.675 2.469 1.00 0.00 H new ATOM 1199 N LEU A 78 2.701 7.823 5.393 1.00 0.00 N ATOM 1200 CA LEU A 78 2.595 9.262 5.555 1.00 0.00 C ATOM 1201 C LEU A 78 3.659 9.971 4.716 1.00 0.00 C ATOM 1202 O LEU A 78 4.855 9.698 4.851 1.00 0.00 O ATOM 1203 CB LEU A 78 2.745 9.633 7.031 1.00 0.00 C ATOM 1204 CG LEU A 78 3.085 11.102 7.309 1.00 0.00 C ATOM 1205 CD1 LEU A 78 2.160 12.034 6.535 1.00 0.00 C ATOM 1206 CD2 LEU A 78 3.011 11.392 8.801 1.00 0.00 C ATOM 0 H LEU A 78 3.586 7.432 5.717 1.00 0.00 H new ATOM 0 HA LEU A 78 1.613 9.585 5.209 1.00 0.00 H new ATOM 0 HB2 LEU A 78 1.816 9.389 7.546 1.00 0.00 H new ATOM 0 HB3 LEU A 78 3.524 9.008 7.468 1.00 0.00 H new ATOM 0 HG LEU A 78 4.105 11.283 6.970 1.00 0.00 H new ATOM 0 HD11 LEU A 78 2.423 13.069 6.751 1.00 0.00 H new ATOM 0 HD12 LEU A 78 2.267 11.847 5.466 1.00 0.00 H new ATOM 0 HD13 LEU A 78 1.128 11.852 6.834 1.00 0.00 H new ATOM 0 HD21 LEU A 78 3.255 12.439 8.981 1.00 0.00 H new ATOM 0 HD22 LEU A 78 2.003 11.187 9.162 1.00 0.00 H new ATOM 0 HD23 LEU A 78 3.722 10.758 9.331 1.00 0.00 H new ATOM 1218 N GLU A 79 3.212 10.880 3.853 1.00 0.00 N ATOM 1219 CA GLU A 79 4.112 11.637 2.990 1.00 0.00 C ATOM 1220 C GLU A 79 4.559 12.920 3.702 1.00 0.00 C ATOM 1221 O GLU A 79 3.722 13.703 4.148 1.00 0.00 O ATOM 1222 CB GLU A 79 3.399 11.942 1.660 1.00 0.00 C ATOM 1223 CG GLU A 79 3.489 13.388 1.210 1.00 0.00 C ATOM 1224 CD GLU A 79 2.840 13.628 -0.137 1.00 0.00 C ATOM 1225 OE1 GLU A 79 1.623 13.905 -0.170 1.00 0.00 O ATOM 1226 OE2 GLU A 79 3.550 13.538 -1.160 1.00 0.00 O ATOM 0 H GLU A 79 2.226 11.110 3.733 1.00 0.00 H new ATOM 0 HA GLU A 79 5.006 11.053 2.772 1.00 0.00 H new ATOM 0 HB2 GLU A 79 3.823 11.307 0.882 1.00 0.00 H new ATOM 0 HB3 GLU A 79 2.348 11.670 1.756 1.00 0.00 H new ATOM 0 HG2 GLU A 79 3.013 14.025 1.955 1.00 0.00 H new ATOM 0 HG3 GLU A 79 4.537 13.683 1.160 1.00 0.00 H new ATOM 1233 N LYS A 80 5.876 13.122 3.833 1.00 0.00 N ATOM 1234 CA LYS A 80 6.394 14.309 4.522 1.00 0.00 C ATOM 1235 C LYS A 80 7.399 15.094 3.681 1.00 0.00 C ATOM 1236 O LYS A 80 8.144 14.528 2.873 1.00 0.00 O ATOM 1237 CB LYS A 80 7.047 13.916 5.850 1.00 0.00 C ATOM 1238 CG LYS A 80 6.272 14.377 7.073 1.00 0.00 C ATOM 1239 CD LYS A 80 5.743 13.200 7.876 1.00 0.00 C ATOM 1240 CE LYS A 80 6.248 13.228 9.310 1.00 0.00 C ATOM 1241 NZ LYS A 80 5.482 14.189 10.152 1.00 0.00 N ATOM 0 H LYS A 80 6.592 12.489 3.477 1.00 0.00 H new ATOM 0 HA LYS A 80 5.536 14.957 4.701 1.00 0.00 H new ATOM 0 HB2 LYS A 80 7.153 12.832 5.886 1.00 0.00 H new ATOM 0 HB3 LYS A 80 8.052 14.336 5.889 1.00 0.00 H new ATOM 0 HG2 LYS A 80 6.917 14.988 7.704 1.00 0.00 H new ATOM 0 HG3 LYS A 80 5.440 15.009 6.761 1.00 0.00 H new ATOM 0 HD2 LYS A 80 4.653 13.217 7.873 1.00 0.00 H new ATOM 0 HD3 LYS A 80 6.048 12.268 7.400 1.00 0.00 H new ATOM 0 HE2 LYS A 80 6.173 12.229 9.740 1.00 0.00 H new ATOM 0 HE3 LYS A 80 7.303 13.500 9.318 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 5.858 14.177 11.122 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 5.574 15.147 9.757 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 4.479 13.915 10.166 1.00 0.00 H new ATOM 1255 N ALA A 81 7.426 16.407 3.913 1.00 0.00 N ATOM 1256 CA ALA A 81 8.346 17.307 3.221 1.00 0.00 C ATOM 1257 C ALA A 81 9.552 17.642 4.103 1.00 0.00 C ATOM 1258 O ALA A 81 10.635 17.928 3.592 1.00 0.00 O ATOM 1259 CB ALA A 81 7.627 18.579 2.802 1.00 0.00 C ATOM 0 H ALA A 81 6.814 16.873 4.582 1.00 0.00 H new ATOM 0 HA ALA A 81 8.710 16.799 2.328 1.00 0.00 H new ATOM 0 HB1 ALA A 81 8.325 19.239 2.288 1.00 0.00 H new ATOM 0 HB2 ALA A 81 6.805 18.328 2.132 1.00 0.00 H new ATOM 0 HB3 ALA A 81 7.235 19.083 3.685 1.00 0.00 H new ATOM 1265 N SER A 82 9.361 17.596 5.430 1.00 0.00 N ATOM 1266 CA SER A 82 10.439 17.886 6.380 1.00 0.00 C ATOM 1267 C SER A 82 11.659 17.006 6.107 1.00 0.00 C ATOM 1268 O SER A 82 12.793 17.486 6.116 1.00 0.00 O ATOM 1269 CB SER A 82 9.956 17.676 7.819 1.00 0.00 C ATOM 1270 OG SER A 82 9.325 18.840 8.323 1.00 0.00 O ATOM 0 H SER A 82 8.470 17.361 5.867 1.00 0.00 H new ATOM 0 HA SER A 82 10.728 18.929 6.251 1.00 0.00 H new ATOM 0 HB2 SER A 82 9.260 16.838 7.853 1.00 0.00 H new ATOM 0 HB3 SER A 82 10.802 17.414 8.455 1.00 0.00 H new ATOM 0 HG SER A 82 9.025 18.678 9.242 1.00 0.00 H new ATOM 1276 N ASP A 83 11.415 15.719 5.850 1.00 0.00 N ATOM 1277 CA ASP A 83 12.490 14.773 5.553 1.00 0.00 C ATOM 1278 C ASP A 83 12.706 14.641 4.039 1.00 0.00 C ATOM 1279 O ASP A 83 13.653 13.987 3.600 1.00 0.00 O ATOM 1280 CB ASP A 83 12.173 13.401 6.160 1.00 0.00 C ATOM 1281 CG ASP A 83 13.323 12.840 6.976 1.00 0.00 C ATOM 1282 OD1 ASP A 83 13.763 13.518 7.928 1.00 0.00 O ATOM 1283 OD2 ASP A 83 13.782 11.721 6.665 1.00 0.00 O ATOM 0 H ASP A 83 10.481 15.309 5.842 1.00 0.00 H new ATOM 0 HA ASP A 83 13.409 15.156 5.997 1.00 0.00 H new ATOM 0 HB2 ASP A 83 11.290 13.484 6.794 1.00 0.00 H new ATOM 0 HB3 ASP A 83 11.926 12.703 5.360 1.00 0.00 H new ATOM 1288 N ASN A 84 11.820 15.268 3.247 1.00 0.00 N ATOM 1289 CA ASN A 84 11.906 15.226 1.787 1.00 0.00 C ATOM 1290 C ASN A 84 11.790 13.791 1.275 1.00 0.00 C ATOM 1291 O ASN A 84 12.616 13.336 0.480 1.00 0.00 O ATOM 1292 CB ASN A 84 13.217 15.861 1.308 1.00 0.00 C ATOM 1293 CG ASN A 84 13.237 17.365 1.501 1.00 0.00 C ATOM 1294 OD1 ASN A 84 12.991 18.123 0.564 1.00 0.00 O ATOM 1295 ND2 ASN A 84 13.530 17.807 2.719 1.00 0.00 N ATOM 0 H ASN A 84 11.033 15.812 3.601 1.00 0.00 H new ATOM 0 HA ASN A 84 11.073 15.800 1.382 1.00 0.00 H new ATOM 0 HB2 ASN A 84 14.052 15.417 1.850 1.00 0.00 H new ATOM 0 HB3 ASN A 84 13.364 15.631 0.253 1.00 0.00 H new ATOM 0 HD21 ASN A 84 13.557 18.810 2.905 1.00 0.00 H new ATOM 0 HD22 ASN A 84 13.728 17.144 3.468 1.00 0.00 H new ATOM 1302 N SER A 85 10.759 13.078 1.739 1.00 0.00 N ATOM 1303 CA SER A 85 10.543 11.696 1.334 1.00 0.00 C ATOM 1304 C SER A 85 9.225 11.151 1.897 1.00 0.00 C ATOM 1305 O SER A 85 8.358 11.909 2.335 1.00 0.00 O ATOM 1306 CB SER A 85 11.720 10.829 1.802 1.00 0.00 C ATOM 1307 OG SER A 85 11.653 10.577 3.196 1.00 0.00 O ATOM 0 H SER A 85 10.065 13.439 2.394 1.00 0.00 H new ATOM 0 HA SER A 85 10.479 11.663 0.246 1.00 0.00 H new ATOM 0 HB2 SER A 85 11.717 9.884 1.259 1.00 0.00 H new ATOM 0 HB3 SER A 85 12.659 11.329 1.566 1.00 0.00 H new ATOM 0 HG SER A 85 12.414 10.021 3.465 1.00 0.00 H new ATOM 1313 N LEU A 86 9.095 9.827 1.887 1.00 0.00 N ATOM 1314 CA LEU A 86 7.902 9.154 2.396 1.00 0.00 C ATOM 1315 C LEU A 86 8.191 8.537 3.761 1.00 0.00 C ATOM 1316 O LEU A 86 9.344 8.500 4.196 1.00 0.00 O ATOM 1317 CB LEU A 86 7.432 8.059 1.427 1.00 0.00 C ATOM 1318 CG LEU A 86 7.527 8.381 -0.070 1.00 0.00 C ATOM 1319 CD1 LEU A 86 6.811 9.689 -0.388 1.00 0.00 C ATOM 1320 CD2 LEU A 86 8.979 8.438 -0.527 1.00 0.00 C ATOM 0 H LEU A 86 9.809 9.193 1.528 1.00 0.00 H new ATOM 0 HA LEU A 86 7.110 9.897 2.492 1.00 0.00 H new ATOM 0 HB2 LEU A 86 8.016 7.159 1.620 1.00 0.00 H new ATOM 0 HB3 LEU A 86 6.394 7.821 1.659 1.00 0.00 H new ATOM 0 HG LEU A 86 7.033 7.578 -0.617 1.00 0.00 H new ATOM 0 HD11 LEU A 86 6.891 9.898 -1.455 1.00 0.00 H new ATOM 0 HD12 LEU A 86 5.760 9.605 -0.113 1.00 0.00 H new ATOM 0 HD13 LEU A 86 7.270 10.501 0.176 1.00 0.00 H new ATOM 0 HD21 LEU A 86 9.017 8.668 -1.592 1.00 0.00 H new ATOM 0 HD22 LEU A 86 9.506 9.213 0.030 1.00 0.00 H new ATOM 0 HD23 LEU A 86 9.455 7.474 -0.347 1.00 0.00 H new ATOM 1332 N LYS A 87 7.149 8.060 4.444 1.00 0.00 N ATOM 1333 CA LYS A 87 7.330 7.455 5.759 1.00 0.00 C ATOM 1334 C LYS A 87 6.311 6.351 6.020 1.00 0.00 C ATOM 1335 O LYS A 87 5.107 6.606 6.075 1.00 0.00 O ATOM 1336 CB LYS A 87 7.242 8.524 6.850 1.00 0.00 C ATOM 1337 CG LYS A 87 7.277 7.965 8.265 1.00 0.00 C ATOM 1338 CD LYS A 87 5.936 8.127 8.966 1.00 0.00 C ATOM 1339 CE LYS A 87 5.819 9.484 9.644 1.00 0.00 C ATOM 1340 NZ LYS A 87 6.839 9.669 10.716 1.00 0.00 N ATOM 0 H LYS A 87 6.185 8.081 4.112 1.00 0.00 H new ATOM 0 HA LYS A 87 8.321 7.001 5.779 1.00 0.00 H new ATOM 0 HB2 LYS A 87 8.068 9.225 6.726 1.00 0.00 H new ATOM 0 HB3 LYS A 87 6.321 9.091 6.716 1.00 0.00 H new ATOM 0 HG2 LYS A 87 7.546 6.909 8.233 1.00 0.00 H new ATOM 0 HG3 LYS A 87 8.052 8.474 8.839 1.00 0.00 H new ATOM 0 HD2 LYS A 87 5.130 8.011 8.242 1.00 0.00 H new ATOM 0 HD3 LYS A 87 5.815 7.337 9.708 1.00 0.00 H new ATOM 0 HE2 LYS A 87 5.931 10.271 8.899 1.00 0.00 H new ATOM 0 HE3 LYS A 87 4.822 9.590 10.072 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 6.499 10.374 11.400 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 7.000 8.764 11.202 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 7.731 9.998 10.294 1.00 0.00 H new ATOM 1354 N LEU A 88 6.806 5.130 6.209 1.00 0.00 N ATOM 1355 CA LEU A 88 5.941 3.994 6.498 1.00 0.00 C ATOM 1356 C LEU A 88 5.543 4.031 7.972 1.00 0.00 C ATOM 1357 O LEU A 88 6.363 3.768 8.854 1.00 0.00 O ATOM 1358 CB LEU A 88 6.650 2.675 6.151 1.00 0.00 C ATOM 1359 CG LEU A 88 5.738 1.488 5.795 1.00 0.00 C ATOM 1360 CD1 LEU A 88 6.264 0.201 6.416 1.00 0.00 C ATOM 1361 CD2 LEU A 88 4.300 1.740 6.231 1.00 0.00 C ATOM 0 H LEU A 88 7.800 4.904 6.167 1.00 0.00 H new ATOM 0 HA LEU A 88 5.042 4.055 5.885 1.00 0.00 H new ATOM 0 HB2 LEU A 88 7.320 2.857 5.311 1.00 0.00 H new ATOM 0 HB3 LEU A 88 7.272 2.387 6.998 1.00 0.00 H new ATOM 0 HG LEU A 88 5.745 1.381 4.710 1.00 0.00 H new ATOM 0 HD11 LEU A 88 5.605 -0.626 6.152 1.00 0.00 H new ATOM 0 HD12 LEU A 88 7.267 -0.001 6.041 1.00 0.00 H new ATOM 0 HD13 LEU A 88 6.297 0.307 7.500 1.00 0.00 H new ATOM 0 HD21 LEU A 88 3.683 0.882 5.964 1.00 0.00 H new ATOM 0 HD22 LEU A 88 4.268 1.888 7.310 1.00 0.00 H new ATOM 0 HD23 LEU A 88 3.919 2.630 5.731 1.00 0.00 H new ATOM 1373 N VAL A 89 4.287 4.390 8.229 1.00 0.00 N ATOM 1374 CA VAL A 89 3.782 4.498 9.598 1.00 0.00 C ATOM 1375 C VAL A 89 3.565 3.127 10.229 1.00 0.00 C ATOM 1376 O VAL A 89 4.086 2.853 11.310 1.00 0.00 O ATOM 1377 CB VAL A 89 2.455 5.291 9.671 1.00 0.00 C ATOM 1378 CG1 VAL A 89 2.267 5.882 11.060 1.00 0.00 C ATOM 1379 CG2 VAL A 89 2.401 6.383 8.609 1.00 0.00 C ATOM 0 H VAL A 89 3.600 4.611 7.508 1.00 0.00 H new ATOM 0 HA VAL A 89 4.549 5.037 10.154 1.00 0.00 H new ATOM 0 HB VAL A 89 1.638 4.598 9.473 1.00 0.00 H new ATOM 0 HG11 VAL A 89 1.329 6.437 11.096 1.00 0.00 H new ATOM 0 HG12 VAL A 89 2.242 5.079 11.797 1.00 0.00 H new ATOM 0 HG13 VAL A 89 3.095 6.554 11.284 1.00 0.00 H new ATOM 0 HG21 VAL A 89 1.456 6.921 8.688 1.00 0.00 H new ATOM 0 HG22 VAL A 89 3.228 7.078 8.759 1.00 0.00 H new ATOM 0 HG23 VAL A 89 2.481 5.933 7.620 1.00 0.00 H new ATOM 1389 N ALA A 90 2.790 2.272 9.561 1.00 0.00 N ATOM 1390 CA ALA A 90 2.512 0.938 10.088 1.00 0.00 C ATOM 1391 C ALA A 90 2.438 -0.114 8.986 1.00 0.00 C ATOM 1392 O ALA A 90 2.068 0.181 7.849 1.00 0.00 O ATOM 1393 CB ALA A 90 1.216 0.950 10.886 1.00 0.00 C ATOM 0 H ALA A 90 2.349 2.477 8.664 1.00 0.00 H new ATOM 0 HA ALA A 90 3.342 0.668 10.741 1.00 0.00 H new ATOM 0 HB1 ALA A 90 1.018 -0.049 11.274 1.00 0.00 H new ATOM 0 HB2 ALA A 90 1.306 1.650 11.716 1.00 0.00 H new ATOM 0 HB3 ALA A 90 0.394 1.257 10.240 1.00 0.00 H new ATOM 1399 N PHE A 91 2.781 -1.351 9.349 1.00 0.00 N ATOM 1400 CA PHE A 91 2.745 -2.473 8.419 1.00 0.00 C ATOM 1401 C PHE A 91 1.923 -3.610 9.017 1.00 0.00 C ATOM 1402 O PHE A 91 2.223 -4.098 10.108 1.00 0.00 O ATOM 1403 CB PHE A 91 4.169 -2.934 8.081 1.00 0.00 C ATOM 1404 CG PHE A 91 4.262 -3.793 6.850 1.00 0.00 C ATOM 1405 CD1 PHE A 91 3.643 -5.032 6.799 1.00 0.00 C ATOM 1406 CD2 PHE A 91 4.982 -3.363 5.746 1.00 0.00 C ATOM 1407 CE1 PHE A 91 3.739 -5.823 5.671 1.00 0.00 C ATOM 1408 CE2 PHE A 91 5.084 -4.152 4.618 1.00 0.00 C ATOM 1409 CZ PHE A 91 4.462 -5.382 4.581 1.00 0.00 C ATOM 0 H PHE A 91 3.089 -1.599 10.289 1.00 0.00 H new ATOM 0 HA PHE A 91 2.270 -2.156 7.490 1.00 0.00 H new ATOM 0 HB2 PHE A 91 4.801 -2.056 7.947 1.00 0.00 H new ATOM 0 HB3 PHE A 91 4.570 -3.489 8.929 1.00 0.00 H new ATOM 0 HD1 PHE A 91 3.079 -5.383 7.651 1.00 0.00 H new ATOM 0 HD2 PHE A 91 5.469 -2.399 5.769 1.00 0.00 H new ATOM 0 HE1 PHE A 91 3.249 -6.785 5.642 1.00 0.00 H new ATOM 0 HE2 PHE A 91 5.650 -3.806 3.766 1.00 0.00 H new ATOM 0 HZ PHE A 91 4.541 -6.000 3.699 1.00 0.00 H new ATOM 1419 N VAL A 92 0.854 -3.993 8.318 1.00 0.00 N ATOM 1420 CA VAL A 92 -0.046 -5.035 8.804 1.00 0.00 C ATOM 1421 C VAL A 92 -0.365 -6.079 7.734 1.00 0.00 C ATOM 1422 O VAL A 92 -0.599 -5.739 6.575 1.00 0.00 O ATOM 1423 CB VAL A 92 -1.367 -4.407 9.290 1.00 0.00 C ATOM 1424 CG1 VAL A 92 -2.205 -5.419 10.056 1.00 0.00 C ATOM 1425 CG2 VAL A 92 -1.090 -3.177 10.144 1.00 0.00 C ATOM 0 H VAL A 92 0.592 -3.597 7.415 1.00 0.00 H new ATOM 0 HA VAL A 92 0.468 -5.536 9.624 1.00 0.00 H new ATOM 0 HB VAL A 92 -1.937 -4.097 8.414 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -3.131 -4.949 10.387 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -2.439 -6.263 9.407 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -1.647 -5.771 10.923 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -2.034 -2.746 10.479 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -0.494 -3.463 11.011 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -0.544 -2.440 9.555 1.00 0.00 H new ATOM 1435 N PRO A 93 -0.401 -7.371 8.119 1.00 0.00 N ATOM 1436 CA PRO A 93 -0.716 -8.464 7.200 1.00 0.00 C ATOM 1437 C PRO A 93 -2.223 -8.642 7.024 1.00 0.00 C ATOM 1438 O PRO A 93 -2.974 -8.613 8.000 1.00 0.00 O ATOM 1439 CB PRO A 93 -0.117 -9.674 7.904 1.00 0.00 C ATOM 1440 CG PRO A 93 -0.261 -9.367 9.355 1.00 0.00 C ATOM 1441 CD PRO A 93 -0.150 -7.868 9.488 1.00 0.00 C ATOM 0 HA PRO A 93 -0.327 -8.295 6.196 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -0.644 -10.590 7.637 1.00 0.00 H new ATOM 0 HB3 PRO A 93 0.928 -9.816 7.630 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -1.220 -9.720 9.733 1.00 0.00 H new ATOM 0 HG3 PRO A 93 0.514 -9.867 9.936 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -0.879 -7.474 10.196 1.00 0.00 H new ATOM 0 HD3 PRO A 93 0.835 -7.570 9.847 1.00 0.00 H new ATOM 1449 N LEU A 94 -2.662 -8.823 5.780 1.00 0.00 N ATOM 1450 CA LEU A 94 -4.080 -9.003 5.491 1.00 0.00 C ATOM 1451 C LEU A 94 -4.381 -10.440 5.057 1.00 0.00 C ATOM 1452 O LEU A 94 -5.118 -10.667 4.095 1.00 0.00 O ATOM 1453 CB LEU A 94 -4.535 -8.017 4.407 1.00 0.00 C ATOM 1454 CG LEU A 94 -4.650 -6.548 4.839 1.00 0.00 C ATOM 1455 CD1 LEU A 94 -5.830 -5.886 4.146 1.00 0.00 C ATOM 1456 CD2 LEU A 94 -4.786 -6.421 6.351 1.00 0.00 C ATOM 0 H LEU A 94 -2.057 -8.849 4.959 1.00 0.00 H new ATOM 0 HA LEU A 94 -4.635 -8.803 6.408 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -3.835 -8.076 3.573 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -5.506 -8.342 4.032 1.00 0.00 H new ATOM 0 HG LEU A 94 -3.732 -6.040 4.543 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -5.900 -4.845 4.461 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -5.689 -5.929 3.066 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -6.749 -6.408 4.413 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -4.865 -5.368 6.622 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -5.680 -6.949 6.681 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -3.910 -6.855 6.833 1.00 0.00 H new ATOM 1468 N PHE A 95 -3.814 -11.410 5.778 1.00 0.00 N ATOM 1469 CA PHE A 95 -4.031 -12.823 5.469 1.00 0.00 C ATOM 1470 C PHE A 95 -4.292 -13.632 6.741 1.00 0.00 C ATOM 1471 O PHE A 95 -5.245 -14.437 6.740 1.00 0.00 O ATOM 1472 CB PHE A 95 -2.835 -13.400 4.697 1.00 0.00 C ATOM 1473 CG PHE A 95 -1.541 -13.399 5.466 1.00 0.00 C ATOM 1474 CD1 PHE A 95 -0.760 -12.257 5.532 1.00 0.00 C ATOM 1475 CD2 PHE A 95 -1.107 -14.543 6.117 1.00 0.00 C ATOM 1476 CE1 PHE A 95 0.430 -12.256 6.234 1.00 0.00 C ATOM 1477 CE2 PHE A 95 0.082 -14.546 6.821 1.00 0.00 C ATOM 1478 CZ PHE A 95 0.851 -13.402 6.880 1.00 0.00 C ATOM 1479 OXT PHE A 95 -3.547 -13.449 7.728 1.00 0.00 O ATOM 0 H PHE A 95 -3.203 -11.242 6.577 1.00 0.00 H new ATOM 0 HA PHE A 95 -4.916 -12.895 4.837 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -3.068 -14.423 4.402 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -2.699 -12.827 3.780 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -1.085 -11.358 5.029 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -1.704 -15.442 6.074 1.00 0.00 H new ATOM 0 HE1 PHE A 95 1.031 -11.360 6.278 1.00 0.00 H new ATOM 0 HE2 PHE A 95 0.409 -15.443 7.325 1.00 0.00 H new ATOM 0 HZ PHE A 95 1.780 -13.403 7.430 1.00 0.00 H new TER 1489 PHE A 95