USER MOD reduce.3.24.130724 H: found=0, std=0, add=901, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 896 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 78 MET CE :methyl 162:sc= -0.422 (180deg=-0.86) USER MOD Set 1.2: A 93 TYR OH : rot -166:sc= 0.888 USER MOD Set 2.1: A 83 TYR OH : rot 150:sc= 0 USER MOD Set 2.2: A 92 HIS : no HD1:sc= 0 X(o=0,f=-0.018) USER MOD Set 3.1: A 60 ASN :FLIP amide:sc= -0.734 F(o=-2.8,f=-1.9) USER MOD Set 3.2: A 102 TYR OH : rot -15:sc= -1.12 USER MOD Single : A 1 GLY N :NH3+ -128:sc= 0.0779 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 13 HIS : no HE2:sc= -0.0654 K(o=-0.065,f=-0.75) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 HIS : no HD1:sc= -0.0902 X(o=-0.09,f=-0.34) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 GLN : amide:sc= -0.0523 X(o=-0.052,f=-0.052) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 MET CE :methyl 165:sc= -5.48! (180deg=-7.23!) USER MOD Single : A 34 THR OG1 : rot -80:sc= 1.13 USER MOD Single : A 37 GLN : amide:sc= -0.0485 K(o=-0.048,f=-2.3!) USER MOD Single : A 39 CYS SG : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot -51:sc= -2.01! USER MOD Single : A 46 SER OG : rot 180:sc= -0.13 USER MOD Single : A 48 ASN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 22:sc= 1.25 USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 THR OG1 : rot -81:sc= 1.43 USER MOD Single : A 62 ASN : amide:sc= -1.44 X(o=-1.4,f=-1.2) USER MOD Single : A 64 GLN : amide:sc= -0.16 X(o=-0.16,f=0) USER MOD Single : A 67 LYS NZ :NH3+ -146:sc= -0.954 (180deg=-2.57!) USER MOD Single : A 69 CYS SG : rot 180:sc= 0 USER MOD Single : A 71 THR OG1 : rot -32:sc= 0.387 USER MOD Single : A 73 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 74 ASN : amide:sc= -0.0283 X(o=-0.028,f=-0.036) USER MOD Single : A 75 GLN : amide:sc= 0.0109 K(o=0.011,f=-0.51) USER MOD Single : A 77 MET CE :methyl -155:sc= -0.0015 (180deg=-0.822) USER MOD Single : A 82 TYR OH : 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 53:sc= 1.24 USER MOD Single : A 95 LYS NZ :NH3+ 154:sc= -0.0759 (180deg=-0.532) USER MOD Single : A 97 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 103 TYR OH : rot 180:sc= -0.0612 USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 MET CE :methyl 140:sc= -0.6 (180deg=-2.57!) USER MOD Single : A 111 GLN : amide:sc= -2.34! C(o=-2.3!,f=-2.5!) USER MOD Single : A 113 GLN : amide:sc=-0.00375 X(o=-0.0037,f=-0.35) USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 117 SER OG : rot 180:sc= 0 USER MOD Single : A 118 SER OG : rot 30:sc= 0.34 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 4.285 -31.981 -12.406 1.00 0.00 N ATOM 2 CA GLY A 1 3.644 -30.758 -12.855 1.00 0.00 C ATOM 3 C GLY A 1 2.168 -30.949 -13.140 1.00 0.00 C ATOM 4 O GLY A 1 1.676 -32.076 -13.176 1.00 0.00 O ATOM 0 H1 GLY A 1 4.799 -31.799 -11.521 1.00 0.00 H new ATOM 0 H2 GLY A 1 3.563 -32.712 -12.243 1.00 0.00 H new ATOM 0 H3 GLY A 1 4.953 -32.310 -13.132 1.00 0.00 H new ATOM 0 HA2 GLY A 1 3.767 -29.986 -12.095 1.00 0.00 H new ATOM 0 HA3 GLY A 1 4.142 -30.400 -13.756 1.00 0.00 H new ATOM 8 N SER A 2 1.459 -29.843 -13.342 1.00 0.00 N ATOM 9 CA SER A 2 0.028 -29.892 -13.621 1.00 0.00 C ATOM 10 C SER A 2 -0.272 -29.365 -15.020 1.00 0.00 C ATOM 11 O SER A 2 -0.967 -30.011 -15.804 1.00 0.00 O ATOM 12 CB SER A 2 -0.744 -29.078 -12.580 1.00 0.00 C ATOM 13 OG SER A 2 -2.129 -29.052 -12.879 1.00 0.00 O ATOM 0 H SER A 2 1.852 -28.902 -13.318 1.00 0.00 H new ATOM 0 HA SER A 2 -0.292 -30.933 -13.568 1.00 0.00 H new ATOM 0 HB2 SER A 2 -0.590 -29.508 -11.590 1.00 0.00 H new ATOM 0 HB3 SER A 2 -0.356 -28.060 -12.549 1.00 0.00 H new ATOM 0 HG SER A 2 -2.601 -28.527 -12.199 1.00 0.00 H new ATOM 19 N SER A 3 0.258 -28.185 -15.327 1.00 0.00 N ATOM 20 CA SER A 3 0.045 -27.567 -16.631 1.00 0.00 C ATOM 21 C SER A 3 1.080 -28.056 -17.639 1.00 0.00 C ATOM 22 O SER A 3 0.736 -28.629 -18.672 1.00 0.00 O ATOM 23 CB SER A 3 0.110 -26.043 -16.513 1.00 0.00 C ATOM 24 OG SER A 3 -1.097 -25.521 -15.986 1.00 0.00 O ATOM 0 H SER A 3 0.838 -27.638 -14.691 1.00 0.00 H new ATOM 0 HA SER A 3 -0.945 -27.855 -16.985 1.00 0.00 H new ATOM 0 HB2 SER A 3 0.944 -25.760 -15.870 1.00 0.00 H new ATOM 0 HB3 SER A 3 0.301 -25.607 -17.494 1.00 0.00 H new ATOM 0 HG SER A 3 -1.030 -24.546 -15.919 1.00 0.00 H new ATOM 30 N GLY A 4 2.353 -27.823 -17.331 1.00 0.00 N ATOM 31 CA GLY A 4 3.420 -28.244 -18.220 1.00 0.00 C ATOM 32 C GLY A 4 3.201 -27.785 -19.648 1.00 0.00 C ATOM 33 O GLY A 4 3.289 -28.580 -20.583 1.00 0.00 O ATOM 0 H GLY A 4 2.664 -27.350 -16.482 1.00 0.00 H new ATOM 0 HA2 GLY A 4 4.369 -27.849 -17.856 1.00 0.00 H new ATOM 0 HA3 GLY A 4 3.498 -29.331 -18.199 1.00 0.00 H new ATOM 37 N SER A 5 2.915 -26.498 -19.816 1.00 0.00 N ATOM 38 CA SER A 5 2.677 -25.935 -21.140 1.00 0.00 C ATOM 39 C SER A 5 3.741 -24.898 -21.488 1.00 0.00 C ATOM 40 O SER A 5 3.968 -23.950 -20.737 1.00 0.00 O ATOM 41 CB SER A 5 1.287 -25.299 -21.205 1.00 0.00 C ATOM 42 OG SER A 5 1.017 -24.795 -22.502 1.00 0.00 O ATOM 0 H SER A 5 2.842 -25.826 -19.052 1.00 0.00 H new ATOM 0 HA SER A 5 2.732 -26.745 -21.868 1.00 0.00 H new ATOM 0 HB2 SER A 5 0.533 -26.038 -20.934 1.00 0.00 H new ATOM 0 HB3 SER A 5 1.219 -24.491 -20.476 1.00 0.00 H new ATOM 0 HG SER A 5 0.122 -24.395 -22.518 1.00 0.00 H new ATOM 48 N SER A 6 4.389 -25.085 -22.633 1.00 0.00 N ATOM 49 CA SER A 6 5.431 -24.169 -23.081 1.00 0.00 C ATOM 50 C SER A 6 4.823 -22.902 -23.674 1.00 0.00 C ATOM 51 O SER A 6 4.406 -22.884 -24.831 1.00 0.00 O ATOM 52 CB SER A 6 6.329 -24.850 -24.115 1.00 0.00 C ATOM 53 OG SER A 6 7.272 -23.938 -24.652 1.00 0.00 O ATOM 0 H SER A 6 4.211 -25.863 -23.268 1.00 0.00 H new ATOM 0 HA SER A 6 6.032 -23.891 -22.215 1.00 0.00 H new ATOM 0 HB2 SER A 6 6.851 -25.687 -23.652 1.00 0.00 H new ATOM 0 HB3 SER A 6 5.717 -25.260 -24.918 1.00 0.00 H new ATOM 0 HG SER A 6 7.835 -24.398 -25.309 1.00 0.00 H new ATOM 59 N GLY A 7 4.776 -21.843 -22.872 1.00 0.00 N ATOM 60 CA GLY A 7 4.217 -20.586 -23.334 1.00 0.00 C ATOM 61 C GLY A 7 4.481 -19.445 -22.371 1.00 0.00 C ATOM 62 O GLY A 7 5.411 -19.506 -21.566 1.00 0.00 O ATOM 0 H GLY A 7 5.115 -21.833 -21.910 1.00 0.00 H new ATOM 0 HA2 GLY A 7 4.640 -20.340 -24.308 1.00 0.00 H new ATOM 0 HA3 GLY A 7 3.142 -20.699 -23.472 1.00 0.00 H new ATOM 66 N ARG A 8 3.664 -18.401 -22.455 1.00 0.00 N ATOM 67 CA ARG A 8 3.816 -17.240 -21.586 1.00 0.00 C ATOM 68 C ARG A 8 2.563 -17.026 -20.741 1.00 0.00 C ATOM 69 O ARG A 8 1.454 -16.952 -21.268 1.00 0.00 O ATOM 70 CB ARG A 8 4.104 -15.989 -22.418 1.00 0.00 C ATOM 71 CG ARG A 8 5.531 -15.917 -22.935 1.00 0.00 C ATOM 72 CD ARG A 8 5.760 -14.662 -23.764 1.00 0.00 C ATOM 73 NE ARG A 8 4.734 -14.488 -24.788 1.00 0.00 N ATOM 74 CZ ARG A 8 4.557 -13.360 -25.467 1.00 0.00 C ATOM 75 NH1 ARG A 8 5.335 -12.312 -25.232 1.00 0.00 N ATOM 76 NH2 ARG A 8 3.601 -13.278 -26.384 1.00 0.00 N ATOM 0 H ARG A 8 2.890 -18.335 -23.116 1.00 0.00 H new ATOM 0 HA ARG A 8 4.657 -17.425 -20.917 1.00 0.00 H new ATOM 0 HB2 ARG A 8 3.418 -15.960 -23.265 1.00 0.00 H new ATOM 0 HB3 ARG A 8 3.901 -15.106 -21.813 1.00 0.00 H new ATOM 0 HG2 ARG A 8 6.225 -15.931 -22.095 1.00 0.00 H new ATOM 0 HG3 ARG A 8 5.745 -16.798 -23.540 1.00 0.00 H new ATOM 0 HD2 ARG A 8 5.769 -13.791 -23.108 1.00 0.00 H new ATOM 0 HD3 ARG A 8 6.740 -14.715 -24.238 1.00 0.00 H new ATOM 0 HE ARG A 8 4.119 -15.276 -24.993 1.00 0.00 H new ATOM 0 HH11 ARG A 8 6.071 -12.371 -24.529 1.00 0.00 H new ATOM 0 HH12 ARG A 8 5.197 -11.447 -25.755 1.00 0.00 H new ATOM 0 HH21 ARG A 8 3.001 -14.082 -26.568 1.00 0.00 H new ATOM 0 HH22 ARG A 8 3.466 -12.411 -26.904 1.00 0.00 H new ATOM 90 N GLU A 9 2.750 -16.927 -19.429 1.00 0.00 N ATOM 91 CA GLU A 9 1.635 -16.722 -18.512 1.00 0.00 C ATOM 92 C GLU A 9 1.805 -15.423 -17.730 1.00 0.00 C ATOM 93 O GLU A 9 2.524 -15.377 -16.733 1.00 0.00 O ATOM 94 CB GLU A 9 1.519 -17.902 -17.544 1.00 0.00 C ATOM 95 CG GLU A 9 1.121 -19.205 -18.218 1.00 0.00 C ATOM 96 CD GLU A 9 1.109 -20.378 -17.257 1.00 0.00 C ATOM 97 OE1 GLU A 9 2.200 -20.801 -16.822 1.00 0.00 O ATOM 98 OE2 GLU A 9 0.007 -20.872 -16.939 1.00 0.00 O ATOM 0 H GLU A 9 3.663 -16.985 -18.977 1.00 0.00 H new ATOM 0 HA GLU A 9 0.721 -16.653 -19.102 1.00 0.00 H new ATOM 0 HB2 GLU A 9 2.474 -18.041 -17.038 1.00 0.00 H new ATOM 0 HB3 GLU A 9 0.784 -17.660 -16.776 1.00 0.00 H new ATOM 0 HG2 GLU A 9 0.132 -19.093 -18.661 1.00 0.00 H new ATOM 0 HG3 GLU A 9 1.814 -19.415 -19.033 1.00 0.00 H new ATOM 105 N GLU A 10 1.137 -14.370 -18.191 1.00 0.00 N ATOM 106 CA GLU A 10 1.216 -13.070 -17.536 1.00 0.00 C ATOM 107 C GLU A 10 -0.141 -12.665 -16.966 1.00 0.00 C ATOM 108 O GLU A 10 -1.183 -13.131 -17.426 1.00 0.00 O ATOM 109 CB GLU A 10 1.706 -12.006 -18.520 1.00 0.00 C ATOM 110 CG GLU A 10 0.647 -11.567 -19.518 1.00 0.00 C ATOM 111 CD GLU A 10 0.686 -12.371 -20.802 1.00 0.00 C ATOM 112 OE1 GLU A 10 1.798 -12.713 -21.256 1.00 0.00 O ATOM 113 OE2 GLU A 10 -0.397 -12.660 -21.354 1.00 0.00 O ATOM 0 H GLU A 10 0.536 -14.392 -19.015 1.00 0.00 H new ATOM 0 HA GLU A 10 1.928 -13.149 -16.714 1.00 0.00 H new ATOM 0 HB2 GLU A 10 2.049 -11.136 -17.960 1.00 0.00 H new ATOM 0 HB3 GLU A 10 2.567 -12.395 -19.064 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -0.338 -11.665 -19.063 1.00 0.00 H new ATOM 0 HG3 GLU A 10 0.788 -10.511 -19.750 1.00 0.00 H new ATOM 120 N ASP A 11 -0.118 -11.797 -15.961 1.00 0.00 N ATOM 121 CA ASP A 11 -1.346 -11.328 -15.328 1.00 0.00 C ATOM 122 C ASP A 11 -1.383 -9.804 -15.277 1.00 0.00 C ATOM 123 O ASP A 11 -0.363 -9.139 -15.096 1.00 0.00 O ATOM 124 CB ASP A 11 -1.466 -11.901 -13.915 1.00 0.00 C ATOM 125 CG ASP A 11 -2.111 -13.273 -13.900 1.00 0.00 C ATOM 126 OD1 ASP A 11 -3.358 -13.343 -13.884 1.00 0.00 O ATOM 127 OD2 ASP A 11 -1.369 -14.277 -13.904 1.00 0.00 O ATOM 0 H ASP A 11 0.737 -11.404 -15.567 1.00 0.00 H new ATOM 0 HA ASP A 11 -2.189 -11.674 -15.925 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -0.475 -11.964 -13.466 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -2.053 -11.220 -13.298 1.00 0.00 H new ATOM 132 N PRO A 12 -2.587 -9.235 -15.442 1.00 0.00 N ATOM 133 CA PRO A 12 -2.786 -7.783 -15.419 1.00 0.00 C ATOM 134 C PRO A 12 -2.589 -7.193 -14.027 1.00 0.00 C ATOM 135 O PRO A 12 -1.939 -6.160 -13.867 1.00 0.00 O ATOM 136 CB PRO A 12 -4.240 -7.618 -15.870 1.00 0.00 C ATOM 137 CG PRO A 12 -4.898 -8.904 -15.505 1.00 0.00 C ATOM 138 CD PRO A 12 -3.846 -9.967 -15.663 1.00 0.00 C ATOM 0 HA PRO A 12 -2.067 -7.262 -16.052 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -4.716 -6.774 -15.371 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -4.303 -7.431 -16.942 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -5.272 -8.874 -14.482 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -5.753 -9.102 -16.151 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -3.976 -10.772 -14.939 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -3.879 -10.421 -16.653 1.00 0.00 H new ATOM 146 N HIS A 13 -3.155 -7.855 -13.023 1.00 0.00 N ATOM 147 CA HIS A 13 -3.040 -7.395 -11.643 1.00 0.00 C ATOM 148 C HIS A 13 -1.576 -7.272 -11.232 1.00 0.00 C ATOM 149 O HIS A 13 -1.219 -6.413 -10.426 1.00 0.00 O ATOM 150 CB HIS A 13 -3.767 -8.355 -10.702 1.00 0.00 C ATOM 151 CG HIS A 13 -3.866 -7.854 -9.294 1.00 0.00 C ATOM 152 ND1 HIS A 13 -3.794 -8.681 -8.193 1.00 0.00 N ATOM 153 CD2 HIS A 13 -4.029 -6.600 -8.810 1.00 0.00 C ATOM 154 CE1 HIS A 13 -3.911 -7.959 -7.094 1.00 0.00 C ATOM 155 NE2 HIS A 13 -4.054 -6.692 -7.440 1.00 0.00 N ATOM 0 H HIS A 13 -3.697 -8.711 -13.139 1.00 0.00 H new ATOM 0 HA HIS A 13 -3.502 -6.410 -11.574 1.00 0.00 H new ATOM 0 HB2 HIS A 13 -4.771 -8.536 -11.086 1.00 0.00 H new ATOM 0 HB3 HIS A 13 -3.248 -9.313 -10.702 1.00 0.00 H new ATOM 0 HD1 HIS A 13 -3.670 -9.693 -8.223 1.00 0.00 H new ATOM 0 HD2 HIS A 13 -4.122 -5.696 -9.393 1.00 0.00 H new ATOM 0 HE1 HIS A 13 -3.893 -8.340 -6.083 1.00 0.00 H new ATOM 163 N GLU A 14 -0.734 -8.136 -11.791 1.00 0.00 N ATOM 164 CA GLU A 14 0.690 -8.123 -11.480 1.00 0.00 C ATOM 165 C GLU A 14 1.424 -7.092 -12.332 1.00 0.00 C ATOM 166 O GLU A 14 2.642 -7.157 -12.493 1.00 0.00 O ATOM 167 CB GLU A 14 1.296 -9.510 -11.704 1.00 0.00 C ATOM 168 CG GLU A 14 0.931 -10.516 -10.625 1.00 0.00 C ATOM 169 CD GLU A 14 1.878 -10.472 -9.442 1.00 0.00 C ATOM 170 OE1 GLU A 14 1.697 -9.596 -8.570 1.00 0.00 O ATOM 171 OE2 GLU A 14 2.800 -11.312 -9.388 1.00 0.00 O ATOM 0 H GLU A 14 -1.013 -8.853 -12.461 1.00 0.00 H new ATOM 0 HA GLU A 14 0.804 -7.849 -10.431 1.00 0.00 H new ATOM 0 HB2 GLU A 14 0.965 -9.890 -12.670 1.00 0.00 H new ATOM 0 HB3 GLU A 14 2.381 -9.420 -11.752 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -0.084 -10.321 -10.280 1.00 0.00 H new ATOM 0 HG3 GLU A 14 0.935 -11.519 -11.052 1.00 0.00 H new ATOM 178 N GLY A 15 0.673 -6.140 -12.877 1.00 0.00 N ATOM 179 CA GLY A 15 1.268 -5.109 -13.707 1.00 0.00 C ATOM 180 C GLY A 15 0.401 -3.868 -13.801 1.00 0.00 C ATOM 181 O GLY A 15 0.361 -3.207 -14.839 1.00 0.00 O ATOM 0 H GLY A 15 -0.337 -6.064 -12.758 1.00 0.00 H new ATOM 0 HA2 GLY A 15 2.243 -4.838 -13.301 1.00 0.00 H new ATOM 0 HA3 GLY A 15 1.439 -5.506 -14.708 1.00 0.00 H new ATOM 185 N LYS A 16 -0.295 -3.552 -12.715 1.00 0.00 N ATOM 186 CA LYS A 16 -1.166 -2.383 -12.678 1.00 0.00 C ATOM 187 C LYS A 16 -0.364 -1.115 -12.403 1.00 0.00 C ATOM 188 O LYS A 16 0.534 -1.108 -11.560 1.00 0.00 O ATOM 189 CB LYS A 16 -2.245 -2.559 -11.607 1.00 0.00 C ATOM 190 CG LYS A 16 -3.106 -3.793 -11.808 1.00 0.00 C ATOM 191 CD LYS A 16 -4.001 -3.656 -13.029 1.00 0.00 C ATOM 192 CE LYS A 16 -5.273 -4.477 -12.882 1.00 0.00 C ATOM 193 NZ LYS A 16 -6.227 -4.224 -13.997 1.00 0.00 N ATOM 0 H LYS A 16 -0.273 -4.089 -11.848 1.00 0.00 H new ATOM 0 HA LYS A 16 -1.643 -2.286 -13.653 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -1.768 -2.615 -10.628 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -2.885 -1.677 -11.600 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -2.467 -4.669 -11.920 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -3.720 -3.958 -10.922 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -4.259 -2.607 -13.177 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -3.458 -3.979 -13.917 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -5.020 -5.537 -12.854 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -5.752 -4.238 -11.933 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -7.081 -4.802 -13.861 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -6.488 -3.217 -14.009 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -5.779 -4.476 -14.901 1.00 0.00 H new ATOM 207 N ILE A 17 -0.694 -0.045 -13.118 1.00 0.00 N ATOM 208 CA ILE A 17 -0.005 1.229 -12.949 1.00 0.00 C ATOM 209 C ILE A 17 0.176 1.564 -11.472 1.00 0.00 C ATOM 210 O ILE A 17 1.246 2.002 -11.052 1.00 0.00 O ATOM 211 CB ILE A 17 -0.769 2.377 -13.634 1.00 0.00 C ATOM 212 CG1 ILE A 17 0.058 3.664 -13.594 1.00 0.00 C ATOM 213 CG2 ILE A 17 -2.119 2.588 -12.966 1.00 0.00 C ATOM 214 CD1 ILE A 17 -0.581 4.816 -14.337 1.00 0.00 C ATOM 0 H ILE A 17 -1.434 -0.035 -13.820 1.00 0.00 H new ATOM 0 HA ILE A 17 0.973 1.124 -13.418 1.00 0.00 H new ATOM 0 HB ILE A 17 -0.940 2.109 -14.677 1.00 0.00 H new ATOM 0 HG12 ILE A 17 0.214 3.954 -12.555 1.00 0.00 H new ATOM 0 HG13 ILE A 17 1.042 3.468 -14.021 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -2.647 3.403 -13.462 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -2.709 1.675 -13.041 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -1.970 2.838 -11.916 1.00 0.00 H new ATOM 0 HD11 ILE A 17 0.060 5.695 -14.267 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -0.712 4.545 -15.385 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -1.552 5.039 -13.896 1.00 0.00 H new ATOM 226 N TRP A 18 -0.876 1.352 -10.690 1.00 0.00 N ATOM 227 CA TRP A 18 -0.833 1.630 -9.259 1.00 0.00 C ATOM 228 C TRP A 18 -0.063 0.543 -8.517 1.00 0.00 C ATOM 229 O TRP A 18 0.674 0.826 -7.572 1.00 0.00 O ATOM 230 CB TRP A 18 -2.251 1.741 -8.697 1.00 0.00 C ATOM 231 CG TRP A 18 -3.163 0.647 -9.165 1.00 0.00 C ATOM 232 CD1 TRP A 18 -4.001 0.684 -10.243 1.00 0.00 C ATOM 233 CD2 TRP A 18 -3.331 -0.643 -8.568 1.00 0.00 C ATOM 234 NE1 TRP A 18 -4.678 -0.506 -10.353 1.00 0.00 N ATOM 235 CE2 TRP A 18 -4.285 -1.338 -9.338 1.00 0.00 C ATOM 236 CE3 TRP A 18 -2.766 -1.281 -7.460 1.00 0.00 C ATOM 237 CZ2 TRP A 18 -4.685 -2.636 -9.032 1.00 0.00 C ATOM 238 CZ3 TRP A 18 -3.165 -2.569 -7.158 1.00 0.00 C ATOM 239 CH2 TRP A 18 -4.116 -3.235 -7.941 1.00 0.00 C ATOM 0 H TRP A 18 -1.769 0.989 -11.022 1.00 0.00 H new ATOM 0 HA TRP A 18 -0.317 2.579 -9.114 1.00 0.00 H new ATOM 0 HB2 TRP A 18 -2.205 1.725 -7.608 1.00 0.00 H new ATOM 0 HB3 TRP A 18 -2.673 2.704 -8.984 1.00 0.00 H new ATOM 0 HD1 TRP A 18 -4.115 1.525 -10.911 1.00 0.00 H new ATOM 0 HE1 TRP A 18 -5.363 -0.734 -11.074 1.00 0.00 H new ATOM 0 HE3 TRP A 18 -2.031 -0.776 -6.851 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -5.418 -3.152 -9.634 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 -2.736 -3.071 -6.303 1.00 0.00 H new ATOM 0 HH2 TRP A 18 -4.406 -4.242 -7.679 1.00 0.00 H new ATOM 250 N PHE A 19 -0.238 -0.701 -8.950 1.00 0.00 N ATOM 251 CA PHE A 19 0.441 -1.830 -8.325 1.00 0.00 C ATOM 252 C PHE A 19 1.953 -1.720 -8.498 1.00 0.00 C ATOM 253 O PHE A 19 2.457 -1.635 -9.618 1.00 0.00 O ATOM 254 CB PHE A 19 -0.057 -3.147 -8.924 1.00 0.00 C ATOM 255 CG PHE A 19 0.587 -4.362 -8.320 1.00 0.00 C ATOM 256 CD1 PHE A 19 0.475 -4.620 -6.963 1.00 0.00 C ATOM 257 CD2 PHE A 19 1.305 -5.247 -9.109 1.00 0.00 C ATOM 258 CE1 PHE A 19 1.067 -5.737 -6.405 1.00 0.00 C ATOM 259 CE2 PHE A 19 1.899 -6.366 -8.556 1.00 0.00 C ATOM 260 CZ PHE A 19 1.779 -6.611 -7.203 1.00 0.00 C ATOM 0 H PHE A 19 -0.844 -0.953 -9.731 1.00 0.00 H new ATOM 0 HA PHE A 19 0.213 -1.814 -7.259 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -1.137 -3.213 -8.789 1.00 0.00 H new ATOM 0 HB3 PHE A 19 0.130 -3.142 -9.998 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -0.081 -3.940 -6.334 1.00 0.00 H new ATOM 0 HD2 PHE A 19 1.401 -5.060 -10.168 1.00 0.00 H new ATOM 0 HE1 PHE A 19 0.973 -5.926 -5.346 1.00 0.00 H new ATOM 0 HE2 PHE A 19 2.456 -7.048 -9.182 1.00 0.00 H new ATOM 0 HZ PHE A 19 2.241 -7.485 -6.769 1.00 0.00 H new ATOM 270 N HIS A 20 2.672 -1.719 -7.380 1.00 0.00 N ATOM 271 CA HIS A 20 4.127 -1.619 -7.406 1.00 0.00 C ATOM 272 C HIS A 20 4.767 -2.803 -6.689 1.00 0.00 C ATOM 273 O HIS A 20 4.957 -2.777 -5.474 1.00 0.00 O ATOM 274 CB HIS A 20 4.581 -0.310 -6.759 1.00 0.00 C ATOM 275 CG HIS A 20 4.686 0.831 -7.724 1.00 0.00 C ATOM 276 ND1 HIS A 20 5.756 0.998 -8.578 1.00 0.00 N ATOM 277 CD2 HIS A 20 3.845 1.863 -7.969 1.00 0.00 C ATOM 278 CE1 HIS A 20 5.570 2.086 -9.305 1.00 0.00 C ATOM 279 NE2 HIS A 20 4.418 2.629 -8.955 1.00 0.00 N ATOM 0 H HIS A 20 2.271 -1.786 -6.445 1.00 0.00 H new ATOM 0 HA HIS A 20 4.448 -1.632 -8.448 1.00 0.00 H new ATOM 0 HB2 HIS A 20 3.880 -0.043 -5.968 1.00 0.00 H new ATOM 0 HB3 HIS A 20 5.551 -0.465 -6.286 1.00 0.00 H new ATOM 0 HD2 HIS A 20 2.900 2.049 -7.481 1.00 0.00 H new ATOM 0 HE1 HIS A 20 6.245 2.466 -10.057 1.00 0.00 H new ATOM 0 HE2 HIS A 20 4.019 3.479 -9.352 1.00 0.00 H new ATOM 287 N GLY A 21 5.096 -3.843 -7.450 1.00 0.00 N ATOM 288 CA GLY A 21 5.710 -5.023 -6.869 1.00 0.00 C ATOM 289 C GLY A 21 7.178 -5.148 -7.227 1.00 0.00 C ATOM 290 O GLY A 21 7.920 -5.891 -6.584 1.00 0.00 O ATOM 0 H GLY A 21 4.948 -3.889 -8.458 1.00 0.00 H new ATOM 0 HA2 GLY A 21 5.605 -4.987 -5.785 1.00 0.00 H new ATOM 0 HA3 GLY A 21 5.179 -5.911 -7.211 1.00 0.00 H new ATOM 294 N LYS A 22 7.599 -4.421 -8.256 1.00 0.00 N ATOM 295 CA LYS A 22 8.987 -4.454 -8.699 1.00 0.00 C ATOM 296 C LYS A 22 9.877 -3.642 -7.763 1.00 0.00 C ATOM 297 O LYS A 22 10.857 -4.155 -7.222 1.00 0.00 O ATOM 298 CB LYS A 22 9.101 -3.912 -10.126 1.00 0.00 C ATOM 299 CG LYS A 22 8.490 -4.825 -11.174 1.00 0.00 C ATOM 300 CD LYS A 22 8.310 -4.108 -12.502 1.00 0.00 C ATOM 301 CE LYS A 22 8.186 -5.093 -13.655 1.00 0.00 C ATOM 302 NZ LYS A 22 8.275 -4.413 -14.977 1.00 0.00 N ATOM 0 H LYS A 22 6.998 -3.801 -8.799 1.00 0.00 H new ATOM 0 HA LYS A 22 9.323 -5.491 -8.682 1.00 0.00 H new ATOM 0 HB2 LYS A 22 8.614 -2.938 -10.176 1.00 0.00 H new ATOM 0 HB3 LYS A 22 10.153 -3.754 -10.363 1.00 0.00 H new ATOM 0 HG2 LYS A 22 9.128 -5.698 -11.314 1.00 0.00 H new ATOM 0 HG3 LYS A 22 7.525 -5.189 -10.822 1.00 0.00 H new ATOM 0 HD2 LYS A 22 7.419 -3.481 -12.460 1.00 0.00 H new ATOM 0 HD3 LYS A 22 9.158 -3.446 -12.677 1.00 0.00 H new ATOM 0 HE2 LYS A 22 8.973 -5.843 -13.578 1.00 0.00 H new ATOM 0 HE3 LYS A 22 7.235 -5.621 -13.581 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 8.186 -5.118 -15.737 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 7.508 -3.715 -15.061 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 9.193 -3.930 -15.058 1.00 0.00 H new ATOM 316 N ILE A 23 9.528 -2.373 -7.575 1.00 0.00 N ATOM 317 CA ILE A 23 10.293 -1.492 -6.702 1.00 0.00 C ATOM 318 C ILE A 23 10.510 -2.128 -5.333 1.00 0.00 C ATOM 319 O ILE A 23 10.125 -3.274 -5.101 1.00 0.00 O ATOM 320 CB ILE A 23 9.593 -0.133 -6.520 1.00 0.00 C ATOM 321 CG1 ILE A 23 8.276 -0.311 -5.760 1.00 0.00 C ATOM 322 CG2 ILE A 23 9.346 0.522 -7.871 1.00 0.00 C ATOM 323 CD1 ILE A 23 7.717 0.982 -5.209 1.00 0.00 C ATOM 0 H ILE A 23 8.720 -1.933 -8.016 1.00 0.00 H new ATOM 0 HA ILE A 23 11.258 -1.332 -7.182 1.00 0.00 H new ATOM 0 HB ILE A 23 10.243 0.518 -5.936 1.00 0.00 H new ATOM 0 HG12 ILE A 23 7.540 -0.761 -6.426 1.00 0.00 H new ATOM 0 HG13 ILE A 23 8.432 -1.010 -4.938 1.00 0.00 H new ATOM 0 HG21 ILE A 23 8.850 1.482 -7.725 1.00 0.00 H new ATOM 0 HG22 ILE A 23 10.298 0.679 -8.379 1.00 0.00 H new ATOM 0 HG23 ILE A 23 8.713 -0.125 -8.478 1.00 0.00 H new ATOM 0 HD11 ILE A 23 6.784 0.780 -4.683 1.00 0.00 H new ATOM 0 HD12 ILE A 23 8.435 1.423 -4.518 1.00 0.00 H new ATOM 0 HD13 ILE A 23 7.529 1.676 -6.029 1.00 0.00 H new ATOM 335 N SER A 24 11.127 -1.375 -4.428 1.00 0.00 N ATOM 336 CA SER A 24 11.397 -1.865 -3.082 1.00 0.00 C ATOM 337 C SER A 24 10.791 -0.936 -2.034 1.00 0.00 C ATOM 338 O SER A 24 10.519 0.234 -2.306 1.00 0.00 O ATOM 339 CB SER A 24 12.905 -1.992 -2.855 1.00 0.00 C ATOM 340 OG SER A 24 13.446 -3.060 -3.613 1.00 0.00 O ATOM 0 H SER A 24 11.449 -0.423 -4.603 1.00 0.00 H new ATOM 0 HA SER A 24 10.937 -2.848 -2.981 1.00 0.00 H new ATOM 0 HB2 SER A 24 13.397 -1.060 -3.131 1.00 0.00 H new ATOM 0 HB3 SER A 24 13.104 -2.156 -1.796 1.00 0.00 H new ATOM 0 HG SER A 24 14.411 -3.119 -3.452 1.00 0.00 H new ATOM 346 N LYS A 25 10.580 -1.467 -0.834 1.00 0.00 N ATOM 347 CA LYS A 25 10.006 -0.688 0.257 1.00 0.00 C ATOM 348 C LYS A 25 10.614 0.711 0.305 1.00 0.00 C ATOM 349 O LYS A 25 9.899 1.710 0.237 1.00 0.00 O ATOM 350 CB LYS A 25 10.231 -1.400 1.593 1.00 0.00 C ATOM 351 CG LYS A 25 9.788 -0.588 2.797 1.00 0.00 C ATOM 352 CD LYS A 25 9.529 -1.475 4.003 1.00 0.00 C ATOM 353 CE LYS A 25 8.176 -2.163 3.909 1.00 0.00 C ATOM 354 NZ LYS A 25 8.031 -3.243 4.923 1.00 0.00 N ATOM 0 H LYS A 25 10.798 -2.434 -0.593 1.00 0.00 H new ATOM 0 HA LYS A 25 8.935 -0.594 0.079 1.00 0.00 H new ATOM 0 HB2 LYS A 25 9.692 -2.347 1.586 1.00 0.00 H new ATOM 0 HB3 LYS A 25 11.290 -1.637 1.695 1.00 0.00 H new ATOM 0 HG2 LYS A 25 10.554 0.147 3.043 1.00 0.00 H new ATOM 0 HG3 LYS A 25 8.882 -0.034 2.550 1.00 0.00 H new ATOM 0 HD2 LYS A 25 10.316 -2.226 4.079 1.00 0.00 H new ATOM 0 HD3 LYS A 25 9.571 -0.876 4.912 1.00 0.00 H new ATOM 0 HE2 LYS A 25 7.384 -1.427 4.047 1.00 0.00 H new ATOM 0 HE3 LYS A 25 8.051 -2.583 2.911 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 7.096 -3.687 4.826 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 8.771 -3.959 4.776 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 8.125 -2.839 5.877 1.00 0.00 H new ATOM 368 N GLN A 26 11.936 0.772 0.422 1.00 0.00 N ATOM 369 CA GLN A 26 12.639 2.049 0.478 1.00 0.00 C ATOM 370 C GLN A 26 12.242 2.941 -0.693 1.00 0.00 C ATOM 371 O GLN A 26 11.795 4.071 -0.500 1.00 0.00 O ATOM 372 CB GLN A 26 14.152 1.823 0.473 1.00 0.00 C ATOM 373 CG GLN A 26 14.656 1.054 1.683 1.00 0.00 C ATOM 374 CD GLN A 26 14.512 1.836 2.974 1.00 0.00 C ATOM 375 OE1 GLN A 26 13.611 1.576 3.773 1.00 0.00 O ATOM 376 NE2 GLN A 26 15.400 2.800 3.185 1.00 0.00 N ATOM 0 H GLN A 26 12.542 -0.047 0.480 1.00 0.00 H new ATOM 0 HA GLN A 26 12.357 2.550 1.404 1.00 0.00 H new ATOM 0 HB2 GLN A 26 14.427 1.281 -0.432 1.00 0.00 H new ATOM 0 HB3 GLN A 26 14.655 2.789 0.431 1.00 0.00 H new ATOM 0 HG2 GLN A 26 14.106 0.117 1.767 1.00 0.00 H new ATOM 0 HG3 GLN A 26 15.705 0.796 1.534 1.00 0.00 H new ATOM 0 HE21 GLN A 26 16.130 2.981 2.496 1.00 0.00 H new ATOM 0 HE22 GLN A 26 15.352 3.360 4.036 1.00 0.00 H new ATOM 385 N GLU A 27 12.409 2.425 -1.907 1.00 0.00 N ATOM 386 CA GLU A 27 12.068 3.177 -3.109 1.00 0.00 C ATOM 387 C GLU A 27 10.659 3.752 -3.010 1.00 0.00 C ATOM 388 O GLU A 27 10.433 4.925 -3.308 1.00 0.00 O ATOM 389 CB GLU A 27 12.181 2.282 -4.345 1.00 0.00 C ATOM 390 CG GLU A 27 13.601 2.137 -4.865 1.00 0.00 C ATOM 391 CD GLU A 27 14.627 2.083 -3.749 1.00 0.00 C ATOM 392 OE1 GLU A 27 15.022 3.158 -3.252 1.00 0.00 O ATOM 393 OE2 GLU A 27 15.035 0.964 -3.374 1.00 0.00 O ATOM 0 H GLU A 27 12.778 1.491 -2.084 1.00 0.00 H new ATOM 0 HA GLU A 27 12.772 4.004 -3.202 1.00 0.00 H new ATOM 0 HB2 GLU A 27 11.789 1.294 -4.104 1.00 0.00 H new ATOM 0 HB3 GLU A 27 11.553 2.690 -5.137 1.00 0.00 H new ATOM 0 HG2 GLU A 27 13.674 1.230 -5.465 1.00 0.00 H new ATOM 0 HG3 GLU A 27 13.830 2.974 -5.524 1.00 0.00 H new ATOM 400 N ALA A 28 9.713 2.917 -2.590 1.00 0.00 N ATOM 401 CA ALA A 28 8.326 3.342 -2.451 1.00 0.00 C ATOM 402 C ALA A 28 8.233 4.692 -1.748 1.00 0.00 C ATOM 403 O ALA A 28 7.414 5.537 -2.111 1.00 0.00 O ATOM 404 CB ALA A 28 7.527 2.294 -1.691 1.00 0.00 C ATOM 0 H ALA A 28 9.883 1.943 -2.340 1.00 0.00 H new ATOM 0 HA ALA A 28 7.904 3.452 -3.450 1.00 0.00 H new ATOM 0 HB1 ALA A 28 6.493 2.624 -1.594 1.00 0.00 H new ATOM 0 HB2 ALA A 28 7.557 1.349 -2.234 1.00 0.00 H new ATOM 0 HB3 ALA A 28 7.958 2.156 -0.699 1.00 0.00 H new ATOM 410 N TYR A 29 9.078 4.889 -0.741 1.00 0.00 N ATOM 411 CA TYR A 29 9.088 6.136 0.014 1.00 0.00 C ATOM 412 C TYR A 29 9.564 7.296 -0.855 1.00 0.00 C ATOM 413 O TYR A 29 8.886 8.315 -0.974 1.00 0.00 O ATOM 414 CB TYR A 29 9.989 6.004 1.244 1.00 0.00 C ATOM 415 CG TYR A 29 9.282 5.435 2.453 1.00 0.00 C ATOM 416 CD1 TYR A 29 8.458 6.232 3.240 1.00 0.00 C ATOM 417 CD2 TYR A 29 9.438 4.101 2.811 1.00 0.00 C ATOM 418 CE1 TYR A 29 7.811 5.717 4.346 1.00 0.00 C ATOM 419 CE2 TYR A 29 8.793 3.578 3.915 1.00 0.00 C ATOM 420 CZ TYR A 29 7.981 4.389 4.679 1.00 0.00 C ATOM 421 OH TYR A 29 7.338 3.872 5.780 1.00 0.00 O ATOM 0 H TYR A 29 9.764 4.201 -0.429 1.00 0.00 H new ATOM 0 HA TYR A 29 8.068 6.343 0.338 1.00 0.00 H new ATOM 0 HB2 TYR A 29 10.837 5.366 0.996 1.00 0.00 H new ATOM 0 HB3 TYR A 29 10.391 6.985 1.497 1.00 0.00 H new ATOM 0 HD1 TYR A 29 8.322 7.272 2.982 1.00 0.00 H new ATOM 0 HD2 TYR A 29 10.074 3.463 2.216 1.00 0.00 H new ATOM 0 HE1 TYR A 29 7.175 6.350 4.947 1.00 0.00 H new ATOM 0 HE2 TYR A 29 8.924 2.539 4.178 1.00 0.00 H new ATOM 0 HH TYR A 29 7.563 2.923 5.874 1.00 0.00 H new ATOM 431 N ASN A 30 10.734 7.131 -1.463 1.00 0.00 N ATOM 432 CA ASN A 30 11.302 8.163 -2.322 1.00 0.00 C ATOM 433 C ASN A 30 10.369 8.473 -3.488 1.00 0.00 C ATOM 434 O ASN A 30 10.315 9.606 -3.971 1.00 0.00 O ATOM 435 CB ASN A 30 12.668 7.721 -2.851 1.00 0.00 C ATOM 436 CG ASN A 30 13.406 8.844 -3.555 1.00 0.00 C ATOM 437 OD1 ASN A 30 13.980 9.723 -2.912 1.00 0.00 O ATOM 438 ND2 ASN A 30 13.393 8.819 -4.882 1.00 0.00 N ATOM 0 H ASN A 30 11.307 6.292 -1.377 1.00 0.00 H new ATOM 0 HA ASN A 30 11.426 9.068 -1.728 1.00 0.00 H new ATOM 0 HB2 ASN A 30 13.274 7.355 -2.023 1.00 0.00 H new ATOM 0 HB3 ASN A 30 12.535 6.888 -3.542 1.00 0.00 H new ATOM 0 HD21 ASN A 30 13.872 9.548 -5.411 1.00 0.00 H new ATOM 0 HD22 ASN A 30 12.904 8.071 -5.373 1.00 0.00 H new ATOM 445 N LEU A 31 9.635 7.461 -3.937 1.00 0.00 N ATOM 446 CA LEU A 31 8.702 7.625 -5.047 1.00 0.00 C ATOM 447 C LEU A 31 7.576 8.585 -4.675 1.00 0.00 C ATOM 448 O LEU A 31 7.411 9.635 -5.296 1.00 0.00 O ATOM 449 CB LEU A 31 8.120 6.271 -5.454 1.00 0.00 C ATOM 450 CG LEU A 31 9.047 5.354 -6.253 1.00 0.00 C ATOM 451 CD1 LEU A 31 8.704 3.895 -5.999 1.00 0.00 C ATOM 452 CD2 LEU A 31 8.961 5.673 -7.739 1.00 0.00 C ATOM 0 H LEU A 31 9.668 6.518 -3.550 1.00 0.00 H new ATOM 0 HA LEU A 31 9.249 8.046 -5.890 1.00 0.00 H new ATOM 0 HB2 LEU A 31 7.811 5.745 -4.551 1.00 0.00 H new ATOM 0 HB3 LEU A 31 7.220 6.447 -6.043 1.00 0.00 H new ATOM 0 HG LEU A 31 10.071 5.528 -5.923 1.00 0.00 H new ATOM 0 HD11 LEU A 31 9.374 3.258 -6.576 1.00 0.00 H new ATOM 0 HD12 LEU A 31 8.818 3.674 -4.938 1.00 0.00 H new ATOM 0 HD13 LEU A 31 7.674 3.706 -6.301 1.00 0.00 H new ATOM 0 HD21 LEU A 31 9.627 5.011 -8.292 1.00 0.00 H new ATOM 0 HD22 LEU A 31 7.937 5.528 -8.084 1.00 0.00 H new ATOM 0 HD23 LEU A 31 9.257 6.709 -7.907 1.00 0.00 H new ATOM 464 N LEU A 32 6.806 8.218 -3.657 1.00 0.00 N ATOM 465 CA LEU A 32 5.696 9.047 -3.199 1.00 0.00 C ATOM 466 C LEU A 32 6.183 10.435 -2.796 1.00 0.00 C ATOM 467 O LEU A 32 5.385 11.351 -2.601 1.00 0.00 O ATOM 468 CB LEU A 32 4.988 8.380 -2.019 1.00 0.00 C ATOM 469 CG LEU A 32 3.986 7.279 -2.372 1.00 0.00 C ATOM 470 CD1 LEU A 32 3.662 6.440 -1.147 1.00 0.00 C ATOM 471 CD2 LEU A 32 2.718 7.881 -2.960 1.00 0.00 C ATOM 0 H LEU A 32 6.930 7.352 -3.133 1.00 0.00 H new ATOM 0 HA LEU A 32 4.991 9.155 -4.024 1.00 0.00 H new ATOM 0 HB2 LEU A 32 5.745 7.956 -1.359 1.00 0.00 H new ATOM 0 HB3 LEU A 32 4.466 9.151 -1.452 1.00 0.00 H new ATOM 0 HG LEU A 32 4.437 6.630 -3.122 1.00 0.00 H new ATOM 0 HD11 LEU A 32 2.948 5.662 -1.417 1.00 0.00 H new ATOM 0 HD12 LEU A 32 4.575 5.979 -0.770 1.00 0.00 H new ATOM 0 HD13 LEU A 32 3.230 7.076 -0.374 1.00 0.00 H new ATOM 0 HD21 LEU A 32 2.016 7.084 -3.205 1.00 0.00 H new ATOM 0 HD22 LEU A 32 2.263 8.553 -2.233 1.00 0.00 H new ATOM 0 HD23 LEU A 32 2.965 8.438 -3.864 1.00 0.00 H new ATOM 483 N MET A 33 7.499 10.582 -2.674 1.00 0.00 N ATOM 484 CA MET A 33 8.092 11.860 -2.298 1.00 0.00 C ATOM 485 C MET A 33 8.591 12.611 -3.528 1.00 0.00 C ATOM 486 O MET A 33 8.796 13.825 -3.486 1.00 0.00 O ATOM 487 CB MET A 33 9.246 11.641 -1.317 1.00 0.00 C ATOM 488 CG MET A 33 8.812 11.630 0.140 1.00 0.00 C ATOM 489 SD MET A 33 8.845 13.271 0.886 1.00 0.00 S ATOM 490 CE MET A 33 7.566 14.097 -0.057 1.00 0.00 C ATOM 0 H MET A 33 8.174 9.833 -2.830 1.00 0.00 H new ATOM 0 HA MET A 33 7.322 12.462 -1.815 1.00 0.00 H new ATOM 0 HB2 MET A 33 9.735 10.695 -1.549 1.00 0.00 H new ATOM 0 HB3 MET A 33 9.988 12.426 -1.461 1.00 0.00 H new ATOM 0 HG2 MET A 33 7.804 11.223 0.212 1.00 0.00 H new ATOM 0 HG3 MET A 33 9.465 10.965 0.705 1.00 0.00 H new ATOM 0 HE1 MET A 33 7.280 15.019 0.448 1.00 0.00 H new ATOM 0 HE2 MET A 33 7.942 14.331 -1.053 1.00 0.00 H new ATOM 0 HE3 MET A 33 6.697 13.444 -0.141 1.00 0.00 H new ATOM 500 N THR A 34 8.784 11.883 -4.623 1.00 0.00 N ATOM 501 CA THR A 34 9.260 12.481 -5.864 1.00 0.00 C ATOM 502 C THR A 34 8.183 12.440 -6.942 1.00 0.00 C ATOM 503 O THR A 34 7.576 13.460 -7.268 1.00 0.00 O ATOM 504 CB THR A 34 10.520 11.765 -6.386 1.00 0.00 C ATOM 505 OG1 THR A 34 10.236 10.380 -6.617 1.00 0.00 O ATOM 506 CG2 THR A 34 11.666 11.894 -5.394 1.00 0.00 C ATOM 0 H THR A 34 8.618 10.878 -4.676 1.00 0.00 H new ATOM 0 HA THR A 34 9.507 13.519 -5.640 1.00 0.00 H new ATOM 0 HB THR A 34 10.817 12.236 -7.323 1.00 0.00 H new ATOM 0 HG1 THR A 34 10.267 9.894 -5.767 1.00 0.00 H new ATOM 0 HG21 THR A 34 12.545 11.381 -5.784 1.00 0.00 H new ATOM 0 HG22 THR A 34 11.899 12.948 -5.242 1.00 0.00 H new ATOM 0 HG23 THR A 34 11.377 11.446 -4.443 1.00 0.00 H new ATOM 514 N VAL A 35 7.948 11.253 -7.493 1.00 0.00 N ATOM 515 CA VAL A 35 6.943 11.078 -8.534 1.00 0.00 C ATOM 516 C VAL A 35 5.536 11.257 -7.974 1.00 0.00 C ATOM 517 O VAL A 35 4.697 11.925 -8.577 1.00 0.00 O ATOM 518 CB VAL A 35 7.049 9.689 -9.191 1.00 0.00 C ATOM 519 CG1 VAL A 35 8.487 9.396 -9.590 1.00 0.00 C ATOM 520 CG2 VAL A 35 6.518 8.615 -8.253 1.00 0.00 C ATOM 0 H VAL A 35 8.441 10.398 -7.235 1.00 0.00 H new ATOM 0 HA VAL A 35 7.132 11.842 -9.288 1.00 0.00 H new ATOM 0 HB VAL A 35 6.439 9.685 -10.094 1.00 0.00 H new ATOM 0 HG11 VAL A 35 8.543 8.411 -10.052 1.00 0.00 H new ATOM 0 HG12 VAL A 35 8.828 10.150 -10.300 1.00 0.00 H new ATOM 0 HG13 VAL A 35 9.122 9.417 -8.704 1.00 0.00 H new ATOM 0 HG21 VAL A 35 6.600 7.640 -8.733 1.00 0.00 H new ATOM 0 HG22 VAL A 35 7.100 8.616 -7.332 1.00 0.00 H new ATOM 0 HG23 VAL A 35 5.472 8.818 -8.022 1.00 0.00 H new ATOM 530 N GLY A 36 5.285 10.656 -6.815 1.00 0.00 N ATOM 531 CA GLY A 36 3.978 10.761 -6.193 1.00 0.00 C ATOM 532 C GLY A 36 3.806 12.054 -5.421 1.00 0.00 C ATOM 533 O GLY A 36 4.752 12.547 -4.806 1.00 0.00 O ATOM 0 H GLY A 36 5.963 10.098 -6.296 1.00 0.00 H new ATOM 0 HA2 GLY A 36 3.207 10.695 -6.961 1.00 0.00 H new ATOM 0 HA3 GLY A 36 3.831 9.917 -5.519 1.00 0.00 H new ATOM 537 N GLN A 37 2.597 12.605 -5.454 1.00 0.00 N ATOM 538 CA GLN A 37 2.306 13.850 -4.754 1.00 0.00 C ATOM 539 C GLN A 37 1.292 13.623 -3.637 1.00 0.00 C ATOM 540 O GLN A 37 0.871 12.493 -3.387 1.00 0.00 O ATOM 541 CB GLN A 37 1.777 14.899 -5.733 1.00 0.00 C ATOM 542 CG GLN A 37 2.873 15.639 -6.484 1.00 0.00 C ATOM 543 CD GLN A 37 3.483 16.762 -5.668 1.00 0.00 C ATOM 544 OE1 GLN A 37 3.561 16.683 -4.442 1.00 0.00 O ATOM 545 NE2 GLN A 37 3.920 17.817 -6.347 1.00 0.00 N ATOM 0 H GLN A 37 1.804 12.209 -5.958 1.00 0.00 H new ATOM 0 HA GLN A 37 3.233 14.212 -4.310 1.00 0.00 H new ATOM 0 HB2 GLN A 37 1.119 14.412 -6.453 1.00 0.00 H new ATOM 0 HB3 GLN A 37 1.171 15.622 -5.186 1.00 0.00 H new ATOM 0 HG2 GLN A 37 3.655 14.934 -6.766 1.00 0.00 H new ATOM 0 HG3 GLN A 37 2.463 16.047 -7.408 1.00 0.00 H new ATOM 0 HE21 GLN A 37 3.835 17.840 -7.363 1.00 0.00 H new ATOM 0 HE22 GLN A 37 4.340 18.604 -5.852 1.00 0.00 H new ATOM 554 N VAL A 38 0.904 14.704 -2.968 1.00 0.00 N ATOM 555 CA VAL A 38 -0.062 14.623 -1.879 1.00 0.00 C ATOM 556 C VAL A 38 -1.370 13.998 -2.349 1.00 0.00 C ATOM 557 O VAL A 38 -2.227 13.642 -1.539 1.00 0.00 O ATOM 558 CB VAL A 38 -0.354 16.013 -1.283 1.00 0.00 C ATOM 559 CG1 VAL A 38 -1.412 15.916 -0.195 1.00 0.00 C ATOM 560 CG2 VAL A 38 0.922 16.640 -0.743 1.00 0.00 C ATOM 0 H VAL A 38 1.244 15.646 -3.161 1.00 0.00 H new ATOM 0 HA VAL A 38 0.382 13.992 -1.109 1.00 0.00 H new ATOM 0 HB VAL A 38 -0.740 16.655 -2.075 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -1.605 16.908 0.214 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -2.332 15.512 -0.617 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -1.058 15.258 0.599 1.00 0.00 H new ATOM 0 HG21 VAL A 38 0.697 17.622 -0.326 1.00 0.00 H new ATOM 0 HG22 VAL A 38 1.340 16.002 0.036 1.00 0.00 H new ATOM 0 HG23 VAL A 38 1.645 16.747 -1.551 1.00 0.00 H new ATOM 570 N CYS A 39 -1.518 13.867 -3.663 1.00 0.00 N ATOM 571 CA CYS A 39 -2.723 13.285 -4.242 1.00 0.00 C ATOM 572 C CYS A 39 -2.388 12.041 -5.058 1.00 0.00 C ATOM 573 O CYS A 39 -3.025 11.761 -6.073 1.00 0.00 O ATOM 574 CB CYS A 39 -3.437 14.311 -5.124 1.00 0.00 C ATOM 575 SG CYS A 39 -3.430 15.991 -4.456 1.00 0.00 S ATOM 0 H CYS A 39 -0.819 14.156 -4.347 1.00 0.00 H new ATOM 0 HA CYS A 39 -3.385 12.995 -3.426 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -2.965 14.320 -6.107 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -4.470 13.993 -5.269 1.00 0.00 H new ATOM 0 HG CYS A 39 -4.055 16.786 -5.273 1.00 0.00 H new ATOM 581 N SER A 40 -1.382 11.297 -4.608 1.00 0.00 N ATOM 582 CA SER A 40 -0.958 10.085 -5.299 1.00 0.00 C ATOM 583 C SER A 40 -0.782 8.933 -4.315 1.00 0.00 C ATOM 584 O SER A 40 -0.294 9.122 -3.200 1.00 0.00 O ATOM 585 CB SER A 40 0.351 10.334 -6.051 1.00 0.00 C ATOM 586 OG SER A 40 1.448 10.403 -5.157 1.00 0.00 O ATOM 0 H SER A 40 -0.846 11.513 -3.768 1.00 0.00 H new ATOM 0 HA SER A 40 -1.734 9.813 -6.015 1.00 0.00 H new ATOM 0 HB2 SER A 40 0.517 9.535 -6.774 1.00 0.00 H new ATOM 0 HB3 SER A 40 0.279 11.264 -6.615 1.00 0.00 H new ATOM 0 HG SER A 40 1.244 11.035 -4.436 1.00 0.00 H new ATOM 592 N PHE A 41 -1.182 7.738 -4.736 1.00 0.00 N ATOM 593 CA PHE A 41 -1.070 6.553 -3.893 1.00 0.00 C ATOM 594 C PHE A 41 -0.548 5.363 -4.693 1.00 0.00 C ATOM 595 O PHE A 41 -0.396 5.439 -5.913 1.00 0.00 O ATOM 596 CB PHE A 41 -2.427 6.210 -3.275 1.00 0.00 C ATOM 597 CG PHE A 41 -3.357 5.508 -4.223 1.00 0.00 C ATOM 598 CD1 PHE A 41 -3.881 6.172 -5.320 1.00 0.00 C ATOM 599 CD2 PHE A 41 -3.707 4.183 -4.018 1.00 0.00 C ATOM 600 CE1 PHE A 41 -4.737 5.529 -6.194 1.00 0.00 C ATOM 601 CE2 PHE A 41 -4.562 3.534 -4.888 1.00 0.00 C ATOM 602 CZ PHE A 41 -5.077 4.208 -5.978 1.00 0.00 C ATOM 0 H PHE A 41 -1.587 7.564 -5.656 1.00 0.00 H new ATOM 0 HA PHE A 41 -0.360 6.772 -3.095 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -2.270 5.580 -2.400 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -2.901 7.128 -2.926 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -3.617 7.205 -5.494 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -3.307 3.651 -3.168 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -5.139 6.059 -7.045 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -4.827 2.501 -4.716 1.00 0.00 H new ATOM 0 HZ PHE A 41 -5.745 3.703 -6.660 1.00 0.00 H new ATOM 612 N LEU A 42 -0.273 4.265 -3.998 1.00 0.00 N ATOM 613 CA LEU A 42 0.233 3.058 -4.642 1.00 0.00 C ATOM 614 C LEU A 42 0.088 1.849 -3.724 1.00 0.00 C ATOM 615 O LEU A 42 0.233 1.960 -2.506 1.00 0.00 O ATOM 616 CB LEU A 42 1.701 3.243 -5.033 1.00 0.00 C ATOM 617 CG LEU A 42 2.696 3.342 -3.877 1.00 0.00 C ATOM 618 CD1 LEU A 42 3.185 1.960 -3.473 1.00 0.00 C ATOM 619 CD2 LEU A 42 3.869 4.235 -4.258 1.00 0.00 C ATOM 0 H LEU A 42 -0.392 4.186 -2.988 1.00 0.00 H new ATOM 0 HA LEU A 42 -0.357 2.881 -5.541 1.00 0.00 H new ATOM 0 HB2 LEU A 42 1.995 2.408 -5.668 1.00 0.00 H new ATOM 0 HB3 LEU A 42 1.784 4.147 -5.636 1.00 0.00 H new ATOM 0 HG LEU A 42 2.187 3.789 -3.023 1.00 0.00 H new ATOM 0 HD11 LEU A 42 3.892 2.051 -2.649 1.00 0.00 H new ATOM 0 HD12 LEU A 42 2.337 1.352 -3.158 1.00 0.00 H new ATOM 0 HD13 LEU A 42 3.676 1.485 -4.322 1.00 0.00 H new ATOM 0 HD21 LEU A 42 4.567 4.294 -3.423 1.00 0.00 H new ATOM 0 HD22 LEU A 42 4.377 3.817 -5.127 1.00 0.00 H new ATOM 0 HD23 LEU A 42 3.503 5.234 -4.497 1.00 0.00 H new ATOM 631 N VAL A 43 -0.197 0.694 -4.316 1.00 0.00 N ATOM 632 CA VAL A 43 -0.358 -0.538 -3.552 1.00 0.00 C ATOM 633 C VAL A 43 0.910 -1.382 -3.596 1.00 0.00 C ATOM 634 O VAL A 43 1.400 -1.729 -4.671 1.00 0.00 O ATOM 635 CB VAL A 43 -1.538 -1.375 -4.080 1.00 0.00 C ATOM 636 CG1 VAL A 43 -1.634 -2.695 -3.329 1.00 0.00 C ATOM 637 CG2 VAL A 43 -2.838 -0.593 -3.968 1.00 0.00 C ATOM 0 H VAL A 43 -0.321 0.585 -5.323 1.00 0.00 H new ATOM 0 HA VAL A 43 -0.561 -0.247 -2.521 1.00 0.00 H new ATOM 0 HB VAL A 43 -1.363 -1.595 -5.133 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -2.473 -3.273 -3.715 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -0.711 -3.259 -3.465 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -1.786 -2.499 -2.268 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -3.661 -1.200 -4.346 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -3.022 -0.341 -2.924 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -2.763 0.323 -4.554 1.00 0.00 H new ATOM 647 N ARG A 44 1.437 -1.710 -2.421 1.00 0.00 N ATOM 648 CA ARG A 44 2.650 -2.513 -2.325 1.00 0.00 C ATOM 649 C ARG A 44 2.410 -3.761 -1.479 1.00 0.00 C ATOM 650 O ARG A 44 1.721 -3.726 -0.459 1.00 0.00 O ATOM 651 CB ARG A 44 3.788 -1.687 -1.723 1.00 0.00 C ATOM 652 CG ARG A 44 4.764 -2.507 -0.895 1.00 0.00 C ATOM 653 CD ARG A 44 6.166 -1.919 -0.941 1.00 0.00 C ATOM 654 NE ARG A 44 6.900 -2.347 -2.129 1.00 0.00 N ATOM 655 CZ ARG A 44 7.252 -3.606 -2.362 1.00 0.00 C ATOM 656 NH1 ARG A 44 6.937 -4.557 -1.493 1.00 0.00 N ATOM 657 NH2 ARG A 44 7.919 -3.917 -3.466 1.00 0.00 N ATOM 0 H ARG A 44 1.043 -1.432 -1.522 1.00 0.00 H new ATOM 0 HA ARG A 44 2.930 -2.825 -3.331 1.00 0.00 H new ATOM 0 HB2 ARG A 44 4.333 -1.194 -2.528 1.00 0.00 H new ATOM 0 HB3 ARG A 44 3.364 -0.902 -1.097 1.00 0.00 H new ATOM 0 HG2 ARG A 44 4.420 -2.549 0.138 1.00 0.00 H new ATOM 0 HG3 ARG A 44 4.786 -3.532 -1.266 1.00 0.00 H new ATOM 0 HD2 ARG A 44 6.103 -0.831 -0.926 1.00 0.00 H new ATOM 0 HD3 ARG A 44 6.715 -2.219 -0.048 1.00 0.00 H new ATOM 0 HE ARG A 44 7.156 -1.640 -2.818 1.00 0.00 H new ATOM 0 HH11 ARG A 44 6.423 -4.322 -0.644 1.00 0.00 H new ATOM 0 HH12 ARG A 44 7.208 -5.523 -1.674 1.00 0.00 H new ATOM 0 HH21 ARG A 44 8.162 -3.188 -4.137 1.00 0.00 H new ATOM 0 HH22 ARG A 44 8.189 -4.885 -3.643 1.00 0.00 H new ATOM 671 N PRO A 45 2.991 -4.890 -1.912 1.00 0.00 N ATOM 672 CA PRO A 45 2.855 -6.169 -1.209 1.00 0.00 C ATOM 673 C PRO A 45 3.597 -6.181 0.123 1.00 0.00 C ATOM 674 O PRO A 45 4.751 -5.760 0.205 1.00 0.00 O ATOM 675 CB PRO A 45 3.480 -7.175 -2.179 1.00 0.00 C ATOM 676 CG PRO A 45 4.437 -6.372 -2.992 1.00 0.00 C ATOM 677 CD PRO A 45 3.826 -5.004 -3.119 1.00 0.00 C ATOM 0 HA PRO A 45 1.817 -6.387 -0.957 1.00 0.00 H new ATOM 0 HB2 PRO A 45 3.990 -7.976 -1.644 1.00 0.00 H new ATOM 0 HB3 PRO A 45 2.722 -7.643 -2.807 1.00 0.00 H new ATOM 0 HG2 PRO A 45 5.412 -6.320 -2.508 1.00 0.00 H new ATOM 0 HG3 PRO A 45 4.591 -6.823 -3.972 1.00 0.00 H new ATOM 0 HD2 PRO A 45 4.588 -4.225 -3.155 1.00 0.00 H new ATOM 0 HD3 PRO A 45 3.232 -4.912 -4.028 1.00 0.00 H new ATOM 685 N SER A 46 2.929 -6.667 1.163 1.00 0.00 N ATOM 686 CA SER A 46 3.525 -6.731 2.493 1.00 0.00 C ATOM 687 C SER A 46 4.311 -8.025 2.674 1.00 0.00 C ATOM 688 O SER A 46 3.918 -9.079 2.172 1.00 0.00 O ATOM 689 CB SER A 46 2.440 -6.625 3.567 1.00 0.00 C ATOM 690 OG SER A 46 2.211 -5.275 3.929 1.00 0.00 O ATOM 0 H SER A 46 1.974 -7.023 1.111 1.00 0.00 H new ATOM 0 HA SER A 46 4.212 -5.891 2.597 1.00 0.00 H new ATOM 0 HB2 SER A 46 1.515 -7.068 3.198 1.00 0.00 H new ATOM 0 HB3 SER A 46 2.738 -7.195 4.447 1.00 0.00 H new ATOM 0 HG SER A 46 1.512 -5.234 4.615 1.00 0.00 H new ATOM 696 N ASP A 47 5.424 -7.938 3.394 1.00 0.00 N ATOM 697 CA ASP A 47 6.267 -9.102 3.643 1.00 0.00 C ATOM 698 C ASP A 47 5.903 -9.762 4.970 1.00 0.00 C ATOM 699 O ASP A 47 5.912 -10.987 5.088 1.00 0.00 O ATOM 700 CB ASP A 47 7.742 -8.698 3.648 1.00 0.00 C ATOM 701 CG ASP A 47 8.088 -7.781 4.804 1.00 0.00 C ATOM 702 OD1 ASP A 47 7.285 -6.872 5.100 1.00 0.00 O ATOM 703 OD2 ASP A 47 9.162 -7.972 5.413 1.00 0.00 O ATOM 0 H ASP A 47 5.764 -7.074 3.816 1.00 0.00 H new ATOM 0 HA ASP A 47 6.098 -9.821 2.841 1.00 0.00 H new ATOM 0 HB2 ASP A 47 8.361 -9.594 3.701 1.00 0.00 H new ATOM 0 HB3 ASP A 47 7.982 -8.200 2.709 1.00 0.00 H new ATOM 708 N ASN A 48 5.585 -8.942 5.966 1.00 0.00 N ATOM 709 CA ASN A 48 5.220 -9.446 7.285 1.00 0.00 C ATOM 710 C ASN A 48 4.435 -10.749 7.171 1.00 0.00 C ATOM 711 O ASN A 48 4.962 -11.830 7.434 1.00 0.00 O ATOM 712 CB ASN A 48 4.394 -8.404 8.041 1.00 0.00 C ATOM 713 CG ASN A 48 5.260 -7.356 8.713 1.00 0.00 C ATOM 714 OD1 ASN A 48 6.162 -7.681 9.485 1.00 0.00 O ATOM 715 ND2 ASN A 48 4.988 -6.089 8.421 1.00 0.00 N ATOM 0 H ASN A 48 5.573 -7.925 5.885 1.00 0.00 H new ATOM 0 HA ASN A 48 6.138 -9.643 7.838 1.00 0.00 H new ATOM 0 HB2 ASN A 48 3.709 -7.915 7.348 1.00 0.00 H new ATOM 0 HB3 ASN A 48 3.784 -8.904 8.793 1.00 0.00 H new ATOM 0 HD21 ASN A 48 5.537 -5.339 8.842 1.00 0.00 H new ATOM 0 HD22 ASN A 48 4.231 -5.866 7.775 1.00 0.00 H new ATOM 722 N THR A 49 3.171 -10.639 6.775 1.00 0.00 N ATOM 723 CA THR A 49 2.312 -11.807 6.626 1.00 0.00 C ATOM 724 C THR A 49 2.309 -12.308 5.186 1.00 0.00 C ATOM 725 O THR A 49 2.275 -11.529 4.233 1.00 0.00 O ATOM 726 CB THR A 49 0.865 -11.499 7.053 1.00 0.00 C ATOM 727 OG1 THR A 49 0.828 -11.144 8.440 1.00 0.00 O ATOM 728 CG2 THR A 49 -0.039 -12.697 6.808 1.00 0.00 C ATOM 0 H THR A 49 2.719 -9.752 6.552 1.00 0.00 H new ATOM 0 HA THR A 49 2.718 -12.582 7.277 1.00 0.00 H new ATOM 0 HB THR A 49 0.504 -10.663 6.454 1.00 0.00 H new ATOM 0 HG1 THR A 49 -0.095 -10.948 8.703 1.00 0.00 H new ATOM 0 HG21 THR A 49 -1.056 -12.455 7.117 1.00 0.00 H new ATOM 0 HG22 THR A 49 -0.032 -12.947 5.747 1.00 0.00 H new ATOM 0 HG23 THR A 49 0.322 -13.549 7.384 1.00 0.00 H new ATOM 736 N PRO A 50 2.345 -13.638 5.021 1.00 0.00 N ATOM 737 CA PRO A 50 2.346 -14.272 3.700 1.00 0.00 C ATOM 738 C PRO A 50 1.009 -14.121 2.983 1.00 0.00 C ATOM 739 O PRO A 50 0.100 -14.930 3.167 1.00 0.00 O ATOM 740 CB PRO A 50 2.622 -15.745 4.013 1.00 0.00 C ATOM 741 CG PRO A 50 2.138 -15.932 5.410 1.00 0.00 C ATOM 742 CD PRO A 50 2.387 -14.626 6.112 1.00 0.00 C ATOM 0 HA PRO A 50 3.079 -13.820 3.032 1.00 0.00 H new ATOM 0 HB2 PRO A 50 2.096 -16.402 3.320 1.00 0.00 H new ATOM 0 HB3 PRO A 50 3.684 -15.976 3.928 1.00 0.00 H new ATOM 0 HG2 PRO A 50 1.078 -16.188 5.425 1.00 0.00 H new ATOM 0 HG3 PRO A 50 2.669 -16.747 5.901 1.00 0.00 H new ATOM 0 HD2 PRO A 50 1.627 -14.424 6.866 1.00 0.00 H new ATOM 0 HD3 PRO A 50 3.351 -14.621 6.622 1.00 0.00 H new ATOM 750 N GLY A 51 0.895 -13.079 2.165 1.00 0.00 N ATOM 751 CA GLY A 51 -0.336 -12.842 1.433 1.00 0.00 C ATOM 752 C GLY A 51 -1.071 -11.609 1.920 1.00 0.00 C ATOM 753 O GLY A 51 -2.300 -11.548 1.863 1.00 0.00 O ATOM 0 H GLY A 51 1.633 -12.395 1.996 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -0.109 -12.731 0.373 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -0.986 -13.711 1.531 1.00 0.00 H new ATOM 757 N ASP A 52 -0.320 -10.625 2.401 1.00 0.00 N ATOM 758 CA ASP A 52 -0.908 -9.388 2.901 1.00 0.00 C ATOM 759 C ASP A 52 -0.647 -8.234 1.938 1.00 0.00 C ATOM 760 O ASP A 52 0.108 -8.374 0.975 1.00 0.00 O ATOM 761 CB ASP A 52 -0.344 -9.052 4.283 1.00 0.00 C ATOM 762 CG ASP A 52 1.171 -9.080 4.312 1.00 0.00 C ATOM 763 OD1 ASP A 52 1.781 -9.294 3.244 1.00 0.00 O ATOM 764 OD2 ASP A 52 1.748 -8.890 5.404 1.00 0.00 O ATOM 0 H ASP A 52 0.698 -10.660 2.455 1.00 0.00 H new ATOM 0 HA ASP A 52 -1.985 -9.534 2.982 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -0.692 -8.064 4.584 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -0.732 -9.762 5.013 1.00 0.00 H new ATOM 769 N TYR A 53 -1.278 -7.096 2.202 1.00 0.00 N ATOM 770 CA TYR A 53 -1.118 -5.919 1.357 1.00 0.00 C ATOM 771 C TYR A 53 -1.103 -4.644 2.195 1.00 0.00 C ATOM 772 O TYR A 53 -1.523 -4.643 3.352 1.00 0.00 O ATOM 773 CB TYR A 53 -2.243 -5.850 0.323 1.00 0.00 C ATOM 774 CG TYR A 53 -2.029 -6.758 -0.866 1.00 0.00 C ATOM 775 CD1 TYR A 53 -1.136 -6.416 -1.874 1.00 0.00 C ATOM 776 CD2 TYR A 53 -2.721 -7.957 -0.984 1.00 0.00 C ATOM 777 CE1 TYR A 53 -0.937 -7.243 -2.963 1.00 0.00 C ATOM 778 CE2 TYR A 53 -2.528 -8.790 -2.069 1.00 0.00 C ATOM 779 CZ TYR A 53 -1.636 -8.429 -3.056 1.00 0.00 C ATOM 780 OH TYR A 53 -1.442 -9.255 -4.139 1.00 0.00 O ATOM 0 H TYR A 53 -1.906 -6.963 2.995 1.00 0.00 H new ATOM 0 HA TYR A 53 -0.163 -6.003 0.839 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -3.185 -6.112 0.805 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -2.340 -4.823 -0.028 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -0.588 -5.488 -1.805 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -3.422 -8.243 -0.214 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -0.238 -6.963 -3.737 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -3.073 -9.719 -2.144 1.00 0.00 H new ATOM 0 HH TYR A 53 -2.009 -10.049 -4.051 1.00 0.00 H new ATOM 790 N SER A 54 -0.616 -3.559 1.601 1.00 0.00 N ATOM 791 CA SER A 54 -0.543 -2.277 2.292 1.00 0.00 C ATOM 792 C SER A 54 -0.575 -1.121 1.297 1.00 0.00 C ATOM 793 O SER A 54 0.147 -1.124 0.299 1.00 0.00 O ATOM 794 CB SER A 54 0.730 -2.202 3.138 1.00 0.00 C ATOM 795 OG SER A 54 0.562 -1.318 4.233 1.00 0.00 O ATOM 0 H SER A 54 -0.266 -3.542 0.643 1.00 0.00 H new ATOM 0 HA SER A 54 -1.411 -2.194 2.946 1.00 0.00 H new ATOM 0 HB2 SER A 54 0.986 -3.196 3.505 1.00 0.00 H new ATOM 0 HB3 SER A 54 1.562 -1.866 2.520 1.00 0.00 H new ATOM 0 HG SER A 54 -0.393 -1.211 4.423 1.00 0.00 H new ATOM 801 N LEU A 55 -1.418 -0.132 1.576 1.00 0.00 N ATOM 802 CA LEU A 55 -1.546 1.032 0.706 1.00 0.00 C ATOM 803 C LEU A 55 -0.748 2.211 1.254 1.00 0.00 C ATOM 804 O LEU A 55 -0.565 2.341 2.465 1.00 0.00 O ATOM 805 CB LEU A 55 -3.017 1.422 0.557 1.00 0.00 C ATOM 806 CG LEU A 55 -3.311 2.580 -0.398 1.00 0.00 C ATOM 807 CD1 LEU A 55 -4.684 2.415 -1.030 1.00 0.00 C ATOM 808 CD2 LEU A 55 -3.214 3.912 0.331 1.00 0.00 C ATOM 0 H LEU A 55 -2.023 -0.113 2.397 1.00 0.00 H new ATOM 0 HA LEU A 55 -1.145 0.770 -0.273 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -3.571 0.547 0.217 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -3.405 1.682 1.542 1.00 0.00 H new ATOM 0 HG LEU A 55 -2.564 2.569 -1.192 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -4.876 3.248 -1.706 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -4.718 1.479 -1.588 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -5.444 2.399 -0.249 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -3.426 4.724 -0.365 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -3.937 3.934 1.146 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -2.209 4.034 0.735 1.00 0.00 H new ATOM 820 N TYR A 56 -0.278 3.069 0.356 1.00 0.00 N ATOM 821 CA TYR A 56 0.500 4.238 0.749 1.00 0.00 C ATOM 822 C TYR A 56 -0.085 5.511 0.145 1.00 0.00 C ATOM 823 O TYR A 56 -0.586 5.504 -0.980 1.00 0.00 O ATOM 824 CB TYR A 56 1.957 4.077 0.314 1.00 0.00 C ATOM 825 CG TYR A 56 2.709 3.020 1.092 1.00 0.00 C ATOM 826 CD1 TYR A 56 2.360 1.679 0.995 1.00 0.00 C ATOM 827 CD2 TYR A 56 3.766 3.364 1.925 1.00 0.00 C ATOM 828 CE1 TYR A 56 3.043 0.710 1.705 1.00 0.00 C ATOM 829 CE2 TYR A 56 4.456 2.402 2.638 1.00 0.00 C ATOM 830 CZ TYR A 56 4.090 1.076 2.525 1.00 0.00 C ATOM 831 OH TYR A 56 4.773 0.115 3.234 1.00 0.00 O ATOM 0 H TYR A 56 -0.422 2.977 -0.650 1.00 0.00 H new ATOM 0 HA TYR A 56 0.459 4.321 1.835 1.00 0.00 H new ATOM 0 HB2 TYR A 56 1.985 3.824 -0.746 1.00 0.00 H new ATOM 0 HB3 TYR A 56 2.469 5.033 0.428 1.00 0.00 H new ATOM 0 HD1 TYR A 56 1.541 1.389 0.354 1.00 0.00 H new ATOM 0 HD2 TYR A 56 4.054 4.401 2.017 1.00 0.00 H new ATOM 0 HE1 TYR A 56 2.759 -0.328 1.618 1.00 0.00 H new ATOM 0 HE2 TYR A 56 5.277 2.686 3.280 1.00 0.00 H new ATOM 0 HH TYR A 56 5.481 0.539 3.762 1.00 0.00 H new ATOM 841 N PHE A 57 -0.017 6.602 0.900 1.00 0.00 N ATOM 842 CA PHE A 57 -0.540 7.884 0.440 1.00 0.00 C ATOM 843 C PHE A 57 0.260 9.041 1.031 1.00 0.00 C ATOM 844 O PHE A 57 0.739 8.965 2.163 1.00 0.00 O ATOM 845 CB PHE A 57 -2.015 8.022 0.821 1.00 0.00 C ATOM 846 CG PHE A 57 -2.689 9.205 0.186 1.00 0.00 C ATOM 847 CD1 PHE A 57 -2.637 9.395 -1.185 1.00 0.00 C ATOM 848 CD2 PHE A 57 -3.375 10.127 0.961 1.00 0.00 C ATOM 849 CE1 PHE A 57 -3.256 10.482 -1.773 1.00 0.00 C ATOM 850 CE2 PHE A 57 -3.997 11.215 0.379 1.00 0.00 C ATOM 851 CZ PHE A 57 -3.937 11.394 -0.990 1.00 0.00 C ATOM 0 H PHE A 57 0.395 6.625 1.833 1.00 0.00 H new ATOM 0 HA PHE A 57 -0.447 7.918 -0.645 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -2.544 7.114 0.531 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -2.096 8.106 1.905 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -2.106 8.685 -1.802 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -3.424 9.994 2.032 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -3.207 10.618 -2.843 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -4.530 11.925 0.994 1.00 0.00 H new ATOM 0 HZ PHE A 57 -4.421 12.245 -1.447 1.00 0.00 H new ATOM 861 N ARG A 58 0.402 10.111 0.256 1.00 0.00 N ATOM 862 CA ARG A 58 1.146 11.283 0.700 1.00 0.00 C ATOM 863 C ARG A 58 0.198 12.376 1.186 1.00 0.00 C ATOM 864 O ARG A 58 -0.763 12.730 0.501 1.00 0.00 O ATOM 865 CB ARG A 58 2.020 11.819 -0.435 1.00 0.00 C ATOM 866 CG ARG A 58 2.729 13.120 -0.095 1.00 0.00 C ATOM 867 CD ARG A 58 3.772 12.918 0.993 1.00 0.00 C ATOM 868 NE ARG A 58 4.256 14.187 1.530 1.00 0.00 N ATOM 869 CZ ARG A 58 5.431 14.329 2.134 1.00 0.00 C ATOM 870 NH1 ARG A 58 6.237 13.287 2.277 1.00 0.00 N ATOM 871 NH2 ARG A 58 5.801 15.517 2.596 1.00 0.00 N ATOM 0 H ARG A 58 0.011 10.190 -0.683 1.00 0.00 H new ATOM 0 HA ARG A 58 1.785 10.984 1.531 1.00 0.00 H new ATOM 0 HB2 ARG A 58 2.764 11.067 -0.695 1.00 0.00 H new ATOM 0 HB3 ARG A 58 1.400 11.973 -1.318 1.00 0.00 H new ATOM 0 HG2 ARG A 58 3.207 13.520 -0.989 1.00 0.00 H new ATOM 0 HG3 ARG A 58 1.998 13.859 0.233 1.00 0.00 H new ATOM 0 HD2 ARG A 58 3.344 12.323 1.800 1.00 0.00 H new ATOM 0 HD3 ARG A 58 4.611 12.351 0.590 1.00 0.00 H new ATOM 0 HE ARG A 58 3.660 15.009 1.436 1.00 0.00 H new ATOM 0 HH11 ARG A 58 5.956 12.373 1.923 1.00 0.00 H new ATOM 0 HH12 ARG A 58 7.138 13.399 2.741 1.00 0.00 H new ATOM 0 HH21 ARG A 58 5.183 16.321 2.487 1.00 0.00 H new ATOM 0 HH22 ARG A 58 6.703 15.626 3.060 1.00 0.00 H new ATOM 885 N THR A 59 0.474 12.908 2.373 1.00 0.00 N ATOM 886 CA THR A 59 -0.354 13.958 2.951 1.00 0.00 C ATOM 887 C THR A 59 0.483 15.178 3.318 1.00 0.00 C ATOM 888 O THR A 59 1.712 15.130 3.294 1.00 0.00 O ATOM 889 CB THR A 59 -1.096 13.462 4.207 1.00 0.00 C ATOM 890 OG1 THR A 59 -0.177 13.325 5.296 1.00 0.00 O ATOM 891 CG2 THR A 59 -1.777 12.128 3.941 1.00 0.00 C ATOM 0 H THR A 59 1.265 12.628 2.953 1.00 0.00 H new ATOM 0 HA THR A 59 -1.086 14.237 2.193 1.00 0.00 H new ATOM 0 HB THR A 59 -1.859 14.196 4.466 1.00 0.00 H new ATOM 0 HG1 THR A 59 0.304 12.475 5.214 1.00 0.00 H new ATOM 0 HG21 THR A 59 -2.294 11.798 4.842 1.00 0.00 H new ATOM 0 HG22 THR A 59 -2.497 12.242 3.130 1.00 0.00 H new ATOM 0 HG23 THR A 59 -1.029 11.387 3.660 1.00 0.00 H new ATOM 899 N ASN A 60 -0.191 16.272 3.659 1.00 0.00 N ATOM 900 CA ASN A 60 0.491 17.505 4.032 1.00 0.00 C ATOM 901 C ASN A 60 1.440 17.269 5.203 1.00 0.00 C ATOM 902 O ASN A 60 2.476 17.924 5.317 1.00 0.00 O ATOM 903 CB ASN A 60 -0.528 18.587 4.397 1.00 0.00 C ATOM 904 CG ASN A 60 -0.950 19.412 3.197 1.00 0.00 C ATOM 905 OD1 ASN A 60 -0.836 18.830 2.009 1.00 0.00 O flip ATOM 906 ND2 ASN A 60 -1.372 20.560 3.337 1.00 0.00 N flip ATOM 0 H ASN A 60 -1.209 16.329 3.685 1.00 0.00 H new ATOM 0 HA ASN A 60 1.075 17.840 3.175 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -1.407 18.119 4.840 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -0.100 19.244 5.154 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -1.443 20.967 4.270 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -1.651 21.104 2.520 1.00 0.00 H new ATOM 913 N GLU A 61 1.079 16.329 6.070 1.00 0.00 N ATOM 914 CA GLU A 61 1.899 16.007 7.233 1.00 0.00 C ATOM 915 C GLU A 61 2.996 15.011 6.866 1.00 0.00 C ATOM 916 O GLU A 61 4.179 15.345 6.874 1.00 0.00 O ATOM 917 CB GLU A 61 1.030 15.435 8.355 1.00 0.00 C ATOM 918 CG GLU A 61 0.061 16.443 8.949 1.00 0.00 C ATOM 919 CD GLU A 61 -0.818 15.842 10.028 1.00 0.00 C ATOM 920 OE1 GLU A 61 -0.374 14.878 10.686 1.00 0.00 O ATOM 921 OE2 GLU A 61 -1.951 16.334 10.214 1.00 0.00 O ATOM 0 H GLU A 61 0.225 15.777 5.990 1.00 0.00 H new ATOM 0 HA GLU A 61 2.369 16.927 7.581 1.00 0.00 H new ATOM 0 HB2 GLU A 61 0.466 14.586 7.969 1.00 0.00 H new ATOM 0 HB3 GLU A 61 1.677 15.056 9.146 1.00 0.00 H new ATOM 0 HG2 GLU A 61 0.623 17.278 9.367 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -0.568 16.847 8.156 1.00 0.00 H new ATOM 928 N ASN A 62 2.592 13.787 6.545 1.00 0.00 N ATOM 929 CA ASN A 62 3.539 12.741 6.176 1.00 0.00 C ATOM 930 C ASN A 62 2.824 11.567 5.514 1.00 0.00 C ATOM 931 O ASN A 62 1.607 11.424 5.630 1.00 0.00 O ATOM 932 CB ASN A 62 4.302 12.257 7.411 1.00 0.00 C ATOM 933 CG ASN A 62 5.560 13.065 7.666 1.00 0.00 C ATOM 934 OD1 ASN A 62 5.782 13.556 8.773 1.00 0.00 O ATOM 935 ND2 ASN A 62 6.391 13.206 6.640 1.00 0.00 N ATOM 0 H ASN A 62 1.615 13.494 6.533 1.00 0.00 H new ATOM 0 HA ASN A 62 4.246 13.162 5.461 1.00 0.00 H new ATOM 0 HB2 ASN A 62 3.651 12.317 8.284 1.00 0.00 H new ATOM 0 HB3 ASN A 62 4.567 11.208 7.283 1.00 0.00 H new ATOM 0 HD21 ASN A 62 7.254 13.739 6.752 1.00 0.00 H new ATOM 0 HD22 ASN A 62 6.167 12.782 5.740 1.00 0.00 H new ATOM 942 N ILE A 63 3.589 10.731 4.821 1.00 0.00 N ATOM 943 CA ILE A 63 3.029 9.569 4.142 1.00 0.00 C ATOM 944 C ILE A 63 2.437 8.580 5.141 1.00 0.00 C ATOM 945 O ILE A 63 3.134 8.087 6.027 1.00 0.00 O ATOM 946 CB ILE A 63 4.091 8.848 3.291 1.00 0.00 C ATOM 947 CG1 ILE A 63 4.669 9.800 2.242 1.00 0.00 C ATOM 948 CG2 ILE A 63 3.490 7.619 2.624 1.00 0.00 C ATOM 949 CD1 ILE A 63 5.933 9.286 1.590 1.00 0.00 C ATOM 0 H ILE A 63 4.598 10.836 4.715 1.00 0.00 H new ATOM 0 HA ILE A 63 2.239 9.937 3.487 1.00 0.00 H new ATOM 0 HB ILE A 63 4.900 8.524 3.945 1.00 0.00 H new ATOM 0 HG12 ILE A 63 3.919 9.977 1.471 1.00 0.00 H new ATOM 0 HG13 ILE A 63 4.877 10.762 2.711 1.00 0.00 H new ATOM 0 HG21 ILE A 63 4.253 7.120 2.026 1.00 0.00 H new ATOM 0 HG22 ILE A 63 3.122 6.934 3.388 1.00 0.00 H new ATOM 0 HG23 ILE A 63 2.664 7.922 1.980 1.00 0.00 H new ATOM 0 HD11 ILE A 63 6.286 10.012 0.858 1.00 0.00 H new ATOM 0 HD12 ILE A 63 6.699 9.136 2.350 1.00 0.00 H new ATOM 0 HD13 ILE A 63 5.726 8.339 1.091 1.00 0.00 H new ATOM 961 N GLN A 64 1.148 8.295 4.990 1.00 0.00 N ATOM 962 CA GLN A 64 0.463 7.364 5.879 1.00 0.00 C ATOM 963 C GLN A 64 0.630 5.927 5.396 1.00 0.00 C ATOM 964 O GLN A 64 1.327 5.669 4.415 1.00 0.00 O ATOM 965 CB GLN A 64 -1.023 7.714 5.972 1.00 0.00 C ATOM 966 CG GLN A 64 -1.286 9.125 6.474 1.00 0.00 C ATOM 967 CD GLN A 64 -2.606 9.247 7.208 1.00 0.00 C ATOM 968 OE1 GLN A 64 -2.691 8.971 8.405 1.00 0.00 O ATOM 969 NE2 GLN A 64 -3.645 9.662 6.494 1.00 0.00 N ATOM 0 H GLN A 64 0.557 8.695 4.261 1.00 0.00 H new ATOM 0 HA GLN A 64 0.912 7.450 6.869 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -1.478 7.597 4.988 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -1.514 7.003 6.637 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -0.476 9.427 7.138 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -1.279 9.814 5.629 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -3.529 9.880 5.504 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -4.559 9.763 6.935 1.00 0.00 H new ATOM 978 N ARG A 65 -0.014 4.996 6.092 1.00 0.00 N ATOM 979 CA ARG A 65 0.064 3.584 5.734 1.00 0.00 C ATOM 980 C ARG A 65 -1.192 2.841 6.178 1.00 0.00 C ATOM 981 O ARG A 65 -1.570 2.882 7.349 1.00 0.00 O ATOM 982 CB ARG A 65 1.300 2.944 6.368 1.00 0.00 C ATOM 983 CG ARG A 65 1.370 1.437 6.179 1.00 0.00 C ATOM 984 CD ARG A 65 2.532 0.832 6.952 1.00 0.00 C ATOM 985 NE ARG A 65 2.178 0.548 8.340 1.00 0.00 N ATOM 986 CZ ARG A 65 2.859 -0.287 9.116 1.00 0.00 C ATOM 987 NH1 ARG A 65 3.926 -0.917 8.642 1.00 0.00 N ATOM 988 NH2 ARG A 65 2.474 -0.494 10.369 1.00 0.00 N ATOM 0 H ARG A 65 -0.595 5.193 6.907 1.00 0.00 H new ATOM 0 HA ARG A 65 0.142 3.513 4.649 1.00 0.00 H new ATOM 0 HB2 ARG A 65 2.194 3.397 5.939 1.00 0.00 H new ATOM 0 HB3 ARG A 65 1.309 3.169 7.435 1.00 0.00 H new ATOM 0 HG2 ARG A 65 0.436 0.984 6.511 1.00 0.00 H new ATOM 0 HG3 ARG A 65 1.477 1.207 5.119 1.00 0.00 H new ATOM 0 HD2 ARG A 65 2.852 -0.089 6.464 1.00 0.00 H new ATOM 0 HD3 ARG A 65 3.380 1.517 6.927 1.00 0.00 H new ATOM 0 HE ARG A 65 1.363 1.017 8.735 1.00 0.00 H new ATOM 0 HH11 ARG A 65 4.225 -0.760 7.679 1.00 0.00 H new ATOM 0 HH12 ARG A 65 4.447 -1.558 9.240 1.00 0.00 H new ATOM 0 HH21 ARG A 65 1.654 -0.011 10.737 1.00 0.00 H new ATOM 0 HH22 ARG A 65 2.998 -1.136 10.964 1.00 0.00 H new ATOM 1002 N PHE A 66 -1.835 2.161 5.235 1.00 0.00 N ATOM 1003 CA PHE A 66 -3.050 1.409 5.528 1.00 0.00 C ATOM 1004 C PHE A 66 -2.789 -0.093 5.460 1.00 0.00 C ATOM 1005 O PHE A 66 -1.891 -0.548 4.752 1.00 0.00 O ATOM 1006 CB PHE A 66 -4.160 1.790 4.547 1.00 0.00 C ATOM 1007 CG PHE A 66 -4.455 3.262 4.517 1.00 0.00 C ATOM 1008 CD1 PHE A 66 -3.770 4.102 3.654 1.00 0.00 C ATOM 1009 CD2 PHE A 66 -5.417 3.807 5.352 1.00 0.00 C ATOM 1010 CE1 PHE A 66 -4.038 5.457 3.625 1.00 0.00 C ATOM 1011 CE2 PHE A 66 -5.690 5.162 5.328 1.00 0.00 C ATOM 1012 CZ PHE A 66 -5.000 5.988 4.462 1.00 0.00 C ATOM 0 H PHE A 66 -1.535 2.115 4.261 1.00 0.00 H new ATOM 0 HA PHE A 66 -3.368 1.660 6.540 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -3.877 1.464 3.546 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -5.069 1.251 4.813 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -3.018 3.693 2.996 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -5.960 3.165 6.030 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -3.496 6.101 2.948 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -6.441 5.574 5.985 1.00 0.00 H new ATOM 0 HZ PHE A 66 -5.212 7.047 4.439 1.00 0.00 H new ATOM 1022 N LYS A 67 -3.581 -0.859 6.203 1.00 0.00 N ATOM 1023 CA LYS A 67 -3.439 -2.310 6.228 1.00 0.00 C ATOM 1024 C LYS A 67 -4.620 -2.985 5.538 1.00 0.00 C ATOM 1025 O LYS A 67 -5.773 -2.609 5.752 1.00 0.00 O ATOM 1026 CB LYS A 67 -3.326 -2.807 7.671 1.00 0.00 C ATOM 1027 CG LYS A 67 -3.238 -4.319 7.789 1.00 0.00 C ATOM 1028 CD LYS A 67 -3.242 -4.766 9.241 1.00 0.00 C ATOM 1029 CE LYS A 67 -4.659 -4.919 9.773 1.00 0.00 C ATOM 1030 NZ LYS A 67 -5.301 -3.600 10.028 1.00 0.00 N ATOM 0 H LYS A 67 -4.328 -0.499 6.796 1.00 0.00 H new ATOM 0 HA LYS A 67 -2.529 -2.570 5.688 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -2.443 -2.363 8.131 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -4.190 -2.457 8.236 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -4.078 -4.775 7.265 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -2.329 -4.671 7.302 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -2.714 -5.715 9.332 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -2.701 -4.040 9.848 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -5.257 -5.482 9.056 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -4.640 -5.498 10.696 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -5.933 -3.675 10.851 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -4.567 -2.888 10.218 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -5.852 -3.315 9.193 1.00 0.00 H new ATOM 1044 N ILE A 68 -4.325 -3.983 4.711 1.00 0.00 N ATOM 1045 CA ILE A 68 -5.363 -4.711 3.993 1.00 0.00 C ATOM 1046 C ILE A 68 -5.220 -6.215 4.195 1.00 0.00 C ATOM 1047 O ILE A 68 -4.210 -6.810 3.816 1.00 0.00 O ATOM 1048 CB ILE A 68 -5.327 -4.401 2.484 1.00 0.00 C ATOM 1049 CG1 ILE A 68 -5.543 -2.906 2.243 1.00 0.00 C ATOM 1050 CG2 ILE A 68 -6.378 -5.220 1.750 1.00 0.00 C ATOM 1051 CD1 ILE A 68 -5.416 -2.504 0.791 1.00 0.00 C ATOM 0 H ILE A 68 -3.376 -4.305 4.522 1.00 0.00 H new ATOM 0 HA ILE A 68 -6.319 -4.382 4.401 1.00 0.00 H new ATOM 0 HB ILE A 68 -4.346 -4.674 2.095 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -6.533 -2.627 2.603 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -4.819 -2.343 2.832 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -6.340 -4.990 0.685 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -6.181 -6.282 1.899 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -7.367 -4.976 2.139 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -5.581 -1.431 0.695 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -4.417 -2.751 0.431 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -6.158 -3.040 0.199 1.00 0.00 H new ATOM 1063 N CYS A 69 -6.237 -6.826 4.793 1.00 0.00 N ATOM 1064 CA CYS A 69 -6.225 -8.262 5.045 1.00 0.00 C ATOM 1065 C CYS A 69 -7.142 -8.993 4.070 1.00 0.00 C ATOM 1066 O CYS A 69 -8.206 -8.502 3.693 1.00 0.00 O ATOM 1067 CB CYS A 69 -6.656 -8.552 6.484 1.00 0.00 C ATOM 1068 SG CYS A 69 -5.304 -8.507 7.683 1.00 0.00 S ATOM 0 H CYS A 69 -7.080 -6.349 5.112 1.00 0.00 H new ATOM 0 HA CYS A 69 -5.207 -8.623 4.898 1.00 0.00 H new ATOM 0 HB2 CYS A 69 -7.413 -7.825 6.779 1.00 0.00 H new ATOM 0 HB3 CYS A 69 -7.127 -9.535 6.520 1.00 0.00 H new ATOM 0 HG CYS A 69 -5.768 -8.762 8.870 1.00 0.00 H new ATOM 1074 N PRO A 70 -6.720 -10.194 3.648 1.00 0.00 N ATOM 1075 CA PRO A 70 -7.488 -11.018 2.709 1.00 0.00 C ATOM 1076 C PRO A 70 -8.761 -11.576 3.335 1.00 0.00 C ATOM 1077 O PRO A 70 -8.939 -11.529 4.552 1.00 0.00 O ATOM 1078 CB PRO A 70 -6.521 -12.153 2.360 1.00 0.00 C ATOM 1079 CG PRO A 70 -5.605 -12.244 3.532 1.00 0.00 C ATOM 1080 CD PRO A 70 -5.461 -10.841 4.055 1.00 0.00 C ATOM 0 HA PRO A 70 -7.824 -10.445 1.845 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -7.053 -13.091 2.199 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -5.971 -11.937 1.444 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -6.013 -12.905 4.296 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -4.638 -12.653 3.240 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -5.334 -10.827 5.137 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -4.594 -10.339 3.625 1.00 0.00 H new ATOM 1088 N THR A 71 -9.645 -12.106 2.495 1.00 0.00 N ATOM 1089 CA THR A 71 -10.902 -12.672 2.966 1.00 0.00 C ATOM 1090 C THR A 71 -11.250 -13.947 2.205 1.00 0.00 C ATOM 1091 O THR A 71 -10.960 -14.088 1.017 1.00 0.00 O ATOM 1092 CB THR A 71 -12.061 -11.668 2.819 1.00 0.00 C ATOM 1093 OG1 THR A 71 -12.276 -11.367 1.436 1.00 0.00 O ATOM 1094 CG2 THR A 71 -11.766 -10.386 3.583 1.00 0.00 C ATOM 0 H THR A 71 -9.513 -12.155 1.485 1.00 0.00 H new ATOM 0 HA THR A 71 -10.767 -12.907 4.022 1.00 0.00 H new ATOM 0 HB THR A 71 -12.961 -12.121 3.235 1.00 0.00 H new ATOM 0 HG1 THR A 71 -11.423 -11.412 0.955 1.00 0.00 H new ATOM 0 HG21 THR A 71 -12.598 -9.692 3.465 1.00 0.00 H new ATOM 0 HG22 THR A 71 -11.632 -10.615 4.640 1.00 0.00 H new ATOM 0 HG23 THR A 71 -10.856 -9.931 3.192 1.00 0.00 H new ATOM 1102 N PRO A 72 -11.887 -14.899 2.904 1.00 0.00 N ATOM 1103 CA PRO A 72 -12.289 -16.179 2.313 1.00 0.00 C ATOM 1104 C PRO A 72 -13.423 -16.021 1.306 1.00 0.00 C ATOM 1105 O PRO A 72 -13.779 -16.968 0.605 1.00 0.00 O ATOM 1106 CB PRO A 72 -12.756 -16.995 3.521 1.00 0.00 C ATOM 1107 CG PRO A 72 -13.172 -15.979 4.527 1.00 0.00 C ATOM 1108 CD PRO A 72 -12.264 -14.798 4.324 1.00 0.00 C ATOM 0 HA PRO A 72 -11.476 -16.644 1.755 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -13.584 -17.653 3.258 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -11.955 -17.627 3.905 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -14.216 -15.697 4.388 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -13.080 -16.372 5.539 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -12.773 -13.858 4.539 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -11.392 -14.845 4.976 1.00 0.00 H new ATOM 1116 N ASN A 73 -13.986 -14.819 1.238 1.00 0.00 N ATOM 1117 CA ASN A 73 -15.081 -14.539 0.316 1.00 0.00 C ATOM 1118 C ASN A 73 -14.552 -13.970 -0.998 1.00 0.00 C ATOM 1119 O ASN A 73 -15.258 -13.249 -1.701 1.00 0.00 O ATOM 1120 CB ASN A 73 -16.069 -13.557 0.949 1.00 0.00 C ATOM 1121 CG ASN A 73 -17.035 -14.240 1.898 1.00 0.00 C ATOM 1122 OD1 ASN A 73 -18.139 -14.621 1.509 1.00 0.00 O ATOM 1123 ND2 ASN A 73 -16.622 -14.397 3.150 1.00 0.00 N ATOM 0 H ASN A 73 -13.702 -14.024 1.810 1.00 0.00 H new ATOM 0 HA ASN A 73 -15.596 -15.476 0.105 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -15.517 -12.787 1.488 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -16.631 -13.054 0.162 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -17.228 -14.849 3.834 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -15.698 -14.065 3.428 1.00 0.00 H new ATOM 1130 N ASN A 74 -13.307 -14.303 -1.322 1.00 0.00 N ATOM 1131 CA ASN A 74 -12.684 -13.826 -2.551 1.00 0.00 C ATOM 1132 C ASN A 74 -12.729 -12.303 -2.628 1.00 0.00 C ATOM 1133 O ASN A 74 -13.106 -11.735 -3.652 1.00 0.00 O ATOM 1134 CB ASN A 74 -13.384 -14.430 -3.770 1.00 0.00 C ATOM 1135 CG ASN A 74 -13.762 -15.883 -3.558 1.00 0.00 C ATOM 1136 OD1 ASN A 74 -12.935 -16.698 -3.150 1.00 0.00 O ATOM 1137 ND2 ASN A 74 -15.018 -16.214 -3.835 1.00 0.00 N ATOM 0 H ASN A 74 -12.710 -14.901 -0.751 1.00 0.00 H new ATOM 0 HA ASN A 74 -11.641 -14.141 -2.546 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -14.281 -13.853 -3.993 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -12.729 -14.351 -4.638 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -15.331 -17.177 -3.712 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -15.670 -15.505 -4.171 1.00 0.00 H new ATOM 1144 N GLN A 75 -12.340 -11.649 -1.538 1.00 0.00 N ATOM 1145 CA GLN A 75 -12.336 -10.192 -1.483 1.00 0.00 C ATOM 1146 C GLN A 75 -11.213 -9.684 -0.585 1.00 0.00 C ATOM 1147 O GLN A 75 -10.476 -10.471 0.010 1.00 0.00 O ATOM 1148 CB GLN A 75 -13.684 -9.676 -0.974 1.00 0.00 C ATOM 1149 CG GLN A 75 -14.779 -9.694 -2.028 1.00 0.00 C ATOM 1150 CD GLN A 75 -16.152 -9.417 -1.448 1.00 0.00 C ATOM 1151 OE1 GLN A 75 -16.477 -8.279 -1.107 1.00 0.00 O ATOM 1152 NE2 GLN A 75 -16.967 -10.459 -1.332 1.00 0.00 N ATOM 0 H GLN A 75 -12.024 -12.105 -0.682 1.00 0.00 H new ATOM 0 HA GLN A 75 -12.168 -9.816 -2.492 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -13.999 -10.282 -0.125 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -13.559 -8.657 -0.609 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -14.555 -8.950 -2.792 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -14.787 -10.666 -2.522 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -16.656 -11.385 -1.627 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -17.904 -10.334 -0.948 1.00 0.00 H new ATOM 1161 N PHE A 76 -11.087 -8.364 -0.492 1.00 0.00 N ATOM 1162 CA PHE A 76 -10.052 -7.751 0.332 1.00 0.00 C ATOM 1163 C PHE A 76 -10.654 -6.726 1.288 1.00 0.00 C ATOM 1164 O PHE A 76 -11.443 -5.873 0.883 1.00 0.00 O ATOM 1165 CB PHE A 76 -8.996 -7.083 -0.551 1.00 0.00 C ATOM 1166 CG PHE A 76 -8.096 -8.060 -1.253 1.00 0.00 C ATOM 1167 CD1 PHE A 76 -7.128 -8.759 -0.551 1.00 0.00 C ATOM 1168 CD2 PHE A 76 -8.219 -8.279 -2.616 1.00 0.00 C ATOM 1169 CE1 PHE A 76 -6.299 -9.659 -1.193 1.00 0.00 C ATOM 1170 CE2 PHE A 76 -7.393 -9.178 -3.264 1.00 0.00 C ATOM 1171 CZ PHE A 76 -6.431 -9.868 -2.552 1.00 0.00 C ATOM 0 H PHE A 76 -11.689 -7.699 -0.977 1.00 0.00 H new ATOM 0 HA PHE A 76 -9.579 -8.537 0.921 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -9.496 -6.462 -1.295 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -8.389 -6.418 0.063 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -7.020 -8.599 0.512 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -8.968 -7.741 -3.178 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -5.549 -10.198 -0.633 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -7.500 -9.341 -4.326 1.00 0.00 H new ATOM 0 HZ PHE A 76 -5.783 -10.569 -3.057 1.00 0.00 H new ATOM 1181 N MET A 77 -10.276 -6.818 2.559 1.00 0.00 N ATOM 1182 CA MET A 77 -10.778 -5.898 3.574 1.00 0.00 C ATOM 1183 C MET A 77 -9.796 -4.754 3.804 1.00 0.00 C ATOM 1184 O MET A 77 -8.602 -4.980 3.999 1.00 0.00 O ATOM 1185 CB MET A 77 -11.031 -6.642 4.887 1.00 0.00 C ATOM 1186 CG MET A 77 -12.423 -7.244 4.985 1.00 0.00 C ATOM 1187 SD MET A 77 -13.023 -7.333 6.683 1.00 0.00 S ATOM 1188 CE MET A 77 -11.554 -7.910 7.531 1.00 0.00 C ATOM 0 H MET A 77 -9.624 -7.520 2.911 1.00 0.00 H new ATOM 0 HA MET A 77 -11.718 -5.479 3.216 1.00 0.00 H new ATOM 0 HB2 MET A 77 -10.292 -7.436 4.993 1.00 0.00 H new ATOM 0 HB3 MET A 77 -10.882 -5.954 5.719 1.00 0.00 H new ATOM 0 HG2 MET A 77 -13.115 -6.648 4.390 1.00 0.00 H new ATOM 0 HG3 MET A 77 -12.413 -8.245 4.554 1.00 0.00 H new ATOM 0 HE1 MET A 77 -11.842 -8.427 8.446 1.00 0.00 H new ATOM 0 HE2 MET A 77 -11.006 -8.595 6.884 1.00 0.00 H new ATOM 0 HE3 MET A 77 -10.920 -7.059 7.779 1.00 0.00 H new ATOM 1198 N MET A 78 -10.307 -3.528 3.781 1.00 0.00 N ATOM 1199 CA MET A 78 -9.473 -2.349 3.989 1.00 0.00 C ATOM 1200 C MET A 78 -9.735 -1.732 5.359 1.00 0.00 C ATOM 1201 O MET A 78 -8.806 -1.327 6.056 1.00 0.00 O ATOM 1202 CB MET A 78 -9.733 -1.314 2.893 1.00 0.00 C ATOM 1203 CG MET A 78 -8.542 -0.413 2.612 1.00 0.00 C ATOM 1204 SD MET A 78 -8.534 1.068 3.640 1.00 0.00 S ATOM 1205 CE MET A 78 -7.550 2.175 2.632 1.00 0.00 C ATOM 0 H MET A 78 -11.294 -3.324 3.621 1.00 0.00 H new ATOM 0 HA MET A 78 -8.430 -2.661 3.944 1.00 0.00 H new ATOM 0 HB2 MET A 78 -10.011 -1.831 1.975 1.00 0.00 H new ATOM 0 HB3 MET A 78 -10.584 -0.697 3.182 1.00 0.00 H new ATOM 0 HG2 MET A 78 -7.621 -0.972 2.779 1.00 0.00 H new ATOM 0 HG3 MET A 78 -8.552 -0.122 1.562 1.00 0.00 H new ATOM 0 HE1 MET A 78 -7.713 3.203 2.956 1.00 0.00 H new ATOM 0 HE2 MET A 78 -6.495 1.923 2.739 1.00 0.00 H new ATOM 0 HE3 MET A 78 -7.843 2.073 1.587 1.00 0.00 H new ATOM 1215 N GLY A 79 -11.008 -1.665 5.739 1.00 0.00 N ATOM 1216 CA GLY A 79 -11.369 -1.095 7.024 1.00 0.00 C ATOM 1217 C GLY A 79 -12.581 -1.768 7.636 1.00 0.00 C ATOM 1218 O GLY A 79 -13.561 -1.106 7.978 1.00 0.00 O ATOM 0 H GLY A 79 -11.795 -1.995 5.180 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -10.524 -1.183 7.707 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -11.571 -0.031 6.902 1.00 0.00 H new ATOM 1222 N GLY A 80 -12.517 -3.089 7.774 1.00 0.00 N ATOM 1223 CA GLY A 80 -13.626 -3.830 8.347 1.00 0.00 C ATOM 1224 C GLY A 80 -14.767 -4.016 7.366 1.00 0.00 C ATOM 1225 O GLY A 80 -15.889 -4.334 7.762 1.00 0.00 O ATOM 0 H GLY A 80 -11.717 -3.659 7.499 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -13.274 -4.807 8.679 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -13.992 -3.306 9.230 1.00 0.00 H new ATOM 1229 N ARG A 81 -14.482 -3.816 6.084 1.00 0.00 N ATOM 1230 CA ARG A 81 -15.494 -3.961 5.045 1.00 0.00 C ATOM 1231 C ARG A 81 -14.944 -4.743 3.855 1.00 0.00 C ATOM 1232 O ARG A 81 -13.758 -4.654 3.536 1.00 0.00 O ATOM 1233 CB ARG A 81 -15.982 -2.587 4.583 1.00 0.00 C ATOM 1234 CG ARG A 81 -17.021 -1.969 5.504 1.00 0.00 C ATOM 1235 CD ARG A 81 -17.144 -0.470 5.279 1.00 0.00 C ATOM 1236 NE ARG A 81 -18.333 0.084 5.920 1.00 0.00 N ATOM 1237 CZ ARG A 81 -19.560 -0.039 5.424 1.00 0.00 C ATOM 1238 NH1 ARG A 81 -19.757 -0.693 4.288 1.00 0.00 N ATOM 1239 NH2 ARG A 81 -20.592 0.493 6.066 1.00 0.00 N ATOM 0 H ARG A 81 -13.559 -3.553 5.740 1.00 0.00 H new ATOM 0 HA ARG A 81 -16.333 -4.515 5.466 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -15.128 -1.914 4.509 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -16.404 -2.678 3.582 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -17.987 -2.444 5.335 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -16.749 -2.161 6.542 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -16.257 0.029 5.668 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -17.181 -0.266 4.209 1.00 0.00 H new ATOM 0 HE ARG A 81 -18.216 0.593 6.796 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -18.966 -1.104 3.792 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -20.700 -0.786 3.910 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -20.444 0.997 6.941 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -21.533 0.398 5.685 1.00 0.00 H new ATOM 1253 N TYR A 82 -15.812 -5.509 3.205 1.00 0.00 N ATOM 1254 CA TYR A 82 -15.413 -6.309 2.053 1.00 0.00 C ATOM 1255 C TYR A 82 -15.640 -5.544 0.753 1.00 0.00 C ATOM 1256 O TYR A 82 -16.686 -4.923 0.559 1.00 0.00 O ATOM 1257 CB TYR A 82 -16.192 -7.626 2.025 1.00 0.00 C ATOM 1258 CG TYR A 82 -16.302 -8.292 3.378 1.00 0.00 C ATOM 1259 CD1 TYR A 82 -15.166 -8.627 4.104 1.00 0.00 C ATOM 1260 CD2 TYR A 82 -17.542 -8.588 3.930 1.00 0.00 C ATOM 1261 CE1 TYR A 82 -15.262 -9.237 5.340 1.00 0.00 C ATOM 1262 CE2 TYR A 82 -17.648 -9.196 5.166 1.00 0.00 C ATOM 1263 CZ TYR A 82 -16.505 -9.519 5.867 1.00 0.00 C ATOM 1264 OH TYR A 82 -16.606 -10.126 7.098 1.00 0.00 O ATOM 0 H TYR A 82 -16.797 -5.593 3.456 1.00 0.00 H new ATOM 0 HA TYR A 82 -14.349 -6.526 2.145 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -17.194 -7.438 1.639 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -15.706 -8.311 1.330 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -14.191 -8.407 3.695 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -18.439 -8.338 3.383 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -14.368 -9.492 5.891 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -18.620 -9.417 5.581 1.00 0.00 H new ATOM 0 HH TYR A 82 -17.551 -10.253 7.324 1.00 0.00 H new ATOM 1274 N TYR A 83 -14.654 -5.594 -0.135 1.00 0.00 N ATOM 1275 CA TYR A 83 -14.743 -4.905 -1.417 1.00 0.00 C ATOM 1276 C TYR A 83 -14.432 -5.854 -2.569 1.00 0.00 C ATOM 1277 O TYR A 83 -13.579 -6.733 -2.451 1.00 0.00 O ATOM 1278 CB TYR A 83 -13.783 -3.715 -1.448 1.00 0.00 C ATOM 1279 CG TYR A 83 -14.314 -2.489 -0.738 1.00 0.00 C ATOM 1280 CD1 TYR A 83 -14.155 -2.333 0.633 1.00 0.00 C ATOM 1281 CD2 TYR A 83 -14.975 -1.488 -1.439 1.00 0.00 C ATOM 1282 CE1 TYR A 83 -14.639 -1.216 1.286 1.00 0.00 C ATOM 1283 CE2 TYR A 83 -15.461 -0.367 -0.795 1.00 0.00 C ATOM 1284 CZ TYR A 83 -15.291 -0.235 0.567 1.00 0.00 C ATOM 1285 OH TYR A 83 -15.774 0.879 1.213 1.00 0.00 O ATOM 0 H TYR A 83 -13.783 -6.105 0.009 1.00 0.00 H new ATOM 0 HA TYR A 83 -15.764 -4.543 -1.535 1.00 0.00 H new ATOM 0 HB2 TYR A 83 -12.838 -4.009 -0.990 1.00 0.00 H new ATOM 0 HB3 TYR A 83 -13.568 -3.459 -2.486 1.00 0.00 H new ATOM 0 HD1 TYR A 83 -13.644 -3.098 1.198 1.00 0.00 H new ATOM 0 HD2 TYR A 83 -15.111 -1.588 -2.506 1.00 0.00 H new ATOM 0 HE1 TYR A 83 -14.508 -1.111 2.353 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -15.972 0.402 -1.355 1.00 0.00 H new ATOM 0 HH TYR A 83 -15.761 1.644 0.600 1.00 0.00 H new ATOM 1295 N ASN A 84 -15.130 -5.670 -3.685 1.00 0.00 N ATOM 1296 CA ASN A 84 -14.929 -6.509 -4.860 1.00 0.00 C ATOM 1297 C ASN A 84 -13.460 -6.898 -5.006 1.00 0.00 C ATOM 1298 O ASN A 84 -13.119 -8.081 -5.011 1.00 0.00 O ATOM 1299 CB ASN A 84 -15.402 -5.781 -6.120 1.00 0.00 C ATOM 1300 CG ASN A 84 -16.887 -5.965 -6.370 1.00 0.00 C ATOM 1301 OD1 ASN A 84 -17.310 -6.960 -6.959 1.00 0.00 O ATOM 1302 ND2 ASN A 84 -17.686 -5.003 -5.923 1.00 0.00 N ATOM 0 H ASN A 84 -15.840 -4.947 -3.800 1.00 0.00 H new ATOM 0 HA ASN A 84 -15.517 -7.418 -4.731 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -15.181 -4.718 -6.027 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -14.843 -6.149 -6.980 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -18.694 -5.071 -6.063 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -17.292 -4.196 -5.440 1.00 0.00 H new ATOM 1309 N SER A 85 -12.597 -5.895 -5.124 1.00 0.00 N ATOM 1310 CA SER A 85 -11.166 -6.131 -5.273 1.00 0.00 C ATOM 1311 C SER A 85 -10.385 -4.825 -5.163 1.00 0.00 C ATOM 1312 O SER A 85 -10.948 -3.739 -5.303 1.00 0.00 O ATOM 1313 CB SER A 85 -10.875 -6.801 -6.617 1.00 0.00 C ATOM 1314 OG SER A 85 -10.922 -8.212 -6.505 1.00 0.00 O ATOM 0 H SER A 85 -12.864 -4.910 -5.119 1.00 0.00 H new ATOM 0 HA SER A 85 -10.847 -6.793 -4.468 1.00 0.00 H new ATOM 0 HB2 SER A 85 -11.602 -6.468 -7.358 1.00 0.00 H new ATOM 0 HB3 SER A 85 -9.892 -6.494 -6.974 1.00 0.00 H new ATOM 0 HG SER A 85 -11.773 -8.480 -6.100 1.00 0.00 H new ATOM 1320 N ILE A 86 -9.085 -4.940 -4.912 1.00 0.00 N ATOM 1321 CA ILE A 86 -8.226 -3.769 -4.784 1.00 0.00 C ATOM 1322 C ILE A 86 -8.587 -2.707 -5.817 1.00 0.00 C ATOM 1323 O ILE A 86 -8.847 -1.554 -5.473 1.00 0.00 O ATOM 1324 CB ILE A 86 -6.740 -4.141 -4.944 1.00 0.00 C ATOM 1325 CG1 ILE A 86 -6.326 -5.149 -3.870 1.00 0.00 C ATOM 1326 CG2 ILE A 86 -5.872 -2.894 -4.872 1.00 0.00 C ATOM 1327 CD1 ILE A 86 -4.840 -5.435 -3.852 1.00 0.00 C ATOM 0 H ILE A 86 -8.604 -5.832 -4.793 1.00 0.00 H new ATOM 0 HA ILE A 86 -8.386 -3.368 -3.783 1.00 0.00 H new ATOM 0 HB ILE A 86 -6.598 -4.602 -5.921 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -6.627 -4.771 -2.893 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -6.866 -6.082 -4.031 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -4.824 -3.173 -4.987 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -6.154 -2.208 -5.670 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -6.014 -2.407 -3.907 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -4.618 -6.157 -3.067 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -4.536 -5.842 -4.816 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -4.294 -4.511 -3.660 1.00 0.00 H new ATOM 1339 N GLY A 87 -8.603 -3.104 -7.086 1.00 0.00 N ATOM 1340 CA GLY A 87 -8.936 -2.175 -8.150 1.00 0.00 C ATOM 1341 C GLY A 87 -10.207 -1.400 -7.867 1.00 0.00 C ATOM 1342 O GLY A 87 -10.279 -0.197 -8.121 1.00 0.00 O ATOM 0 H GLY A 87 -8.391 -4.052 -7.396 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -8.111 -1.476 -8.289 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -9.049 -2.724 -9.085 1.00 0.00 H new ATOM 1346 N ASP A 88 -11.213 -2.089 -7.340 1.00 0.00 N ATOM 1347 CA ASP A 88 -12.489 -1.458 -7.022 1.00 0.00 C ATOM 1348 C ASP A 88 -12.333 -0.463 -5.876 1.00 0.00 C ATOM 1349 O ASP A 88 -12.678 0.711 -6.009 1.00 0.00 O ATOM 1350 CB ASP A 88 -13.529 -2.517 -6.656 1.00 0.00 C ATOM 1351 CG ASP A 88 -14.891 -1.916 -6.367 1.00 0.00 C ATOM 1352 OD1 ASP A 88 -15.001 -1.139 -5.396 1.00 0.00 O ATOM 1353 OD2 ASP A 88 -15.846 -2.224 -7.111 1.00 0.00 O ATOM 0 H ASP A 88 -11.170 -3.085 -7.124 1.00 0.00 H new ATOM 0 HA ASP A 88 -12.828 -0.917 -7.905 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -13.617 -3.233 -7.473 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -13.187 -3.071 -5.782 1.00 0.00 H new ATOM 1358 N ILE A 89 -11.812 -0.941 -4.751 1.00 0.00 N ATOM 1359 CA ILE A 89 -11.610 -0.094 -3.583 1.00 0.00 C ATOM 1360 C ILE A 89 -11.158 1.304 -3.989 1.00 0.00 C ATOM 1361 O ILE A 89 -11.620 2.302 -3.435 1.00 0.00 O ATOM 1362 CB ILE A 89 -10.570 -0.699 -2.621 1.00 0.00 C ATOM 1363 CG1 ILE A 89 -11.132 -1.953 -1.950 1.00 0.00 C ATOM 1364 CG2 ILE A 89 -10.154 0.327 -1.577 1.00 0.00 C ATOM 1365 CD1 ILE A 89 -10.118 -2.693 -1.106 1.00 0.00 C ATOM 0 H ILE A 89 -11.522 -1.911 -4.624 1.00 0.00 H new ATOM 0 HA ILE A 89 -12.570 -0.028 -3.072 1.00 0.00 H new ATOM 0 HB ILE A 89 -9.688 -0.982 -3.195 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -11.978 -1.672 -1.323 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -11.514 -2.626 -2.718 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -9.419 -0.115 -0.905 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -9.717 1.194 -2.073 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -11.028 0.639 -1.005 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -10.586 -3.571 -0.661 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -9.282 -3.006 -1.732 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -9.754 -2.036 -0.316 1.00 0.00 H new ATOM 1377 N ILE A 90 -10.253 1.369 -4.960 1.00 0.00 N ATOM 1378 CA ILE A 90 -9.741 2.645 -5.443 1.00 0.00 C ATOM 1379 C ILE A 90 -10.861 3.505 -6.019 1.00 0.00 C ATOM 1380 O ILE A 90 -11.187 4.562 -5.479 1.00 0.00 O ATOM 1381 CB ILE A 90 -8.657 2.447 -6.518 1.00 0.00 C ATOM 1382 CG1 ILE A 90 -7.488 1.638 -5.951 1.00 0.00 C ATOM 1383 CG2 ILE A 90 -8.174 3.792 -7.038 1.00 0.00 C ATOM 1384 CD1 ILE A 90 -6.598 1.034 -7.016 1.00 0.00 C ATOM 0 H ILE A 90 -9.859 0.552 -5.428 1.00 0.00 H new ATOM 0 HA ILE A 90 -9.301 3.153 -4.585 1.00 0.00 H new ATOM 0 HB ILE A 90 -9.089 1.892 -7.351 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -6.887 2.283 -5.310 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -7.881 0.840 -5.321 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -7.408 3.635 -7.797 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -9.012 4.335 -7.475 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -7.756 4.371 -6.215 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -5.791 0.475 -6.542 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -7.185 0.363 -7.643 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -6.176 1.829 -7.631 1.00 0.00 H new ATOM 1396 N ASP A 91 -11.448 3.043 -7.118 1.00 0.00 N ATOM 1397 CA ASP A 91 -12.534 3.767 -7.767 1.00 0.00 C ATOM 1398 C ASP A 91 -13.534 4.284 -6.737 1.00 0.00 C ATOM 1399 O ASP A 91 -13.981 5.429 -6.811 1.00 0.00 O ATOM 1400 CB ASP A 91 -13.245 2.866 -8.778 1.00 0.00 C ATOM 1401 CG ASP A 91 -14.391 3.571 -9.477 1.00 0.00 C ATOM 1402 OD1 ASP A 91 -15.473 3.695 -8.865 1.00 0.00 O ATOM 1403 OD2 ASP A 91 -14.205 3.999 -10.635 1.00 0.00 O ATOM 0 H ASP A 91 -11.189 2.170 -7.578 1.00 0.00 H new ATOM 0 HA ASP A 91 -12.105 4.621 -8.292 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -12.526 2.522 -9.522 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -13.624 1.981 -8.268 1.00 0.00 H new ATOM 1408 N HIS A 92 -13.882 3.432 -5.778 1.00 0.00 N ATOM 1409 CA HIS A 92 -14.830 3.803 -4.733 1.00 0.00 C ATOM 1410 C HIS A 92 -14.307 4.982 -3.918 1.00 0.00 C ATOM 1411 O HIS A 92 -15.065 5.878 -3.547 1.00 0.00 O ATOM 1412 CB HIS A 92 -15.099 2.611 -3.813 1.00 0.00 C ATOM 1413 CG HIS A 92 -16.257 2.819 -2.887 1.00 0.00 C ATOM 1414 ND1 HIS A 92 -16.108 3.068 -1.539 1.00 0.00 N ATOM 1415 CD2 HIS A 92 -17.590 2.816 -3.122 1.00 0.00 C ATOM 1416 CE1 HIS A 92 -17.299 3.207 -0.985 1.00 0.00 C ATOM 1417 NE2 HIS A 92 -18.216 3.059 -1.924 1.00 0.00 N ATOM 0 H HIS A 92 -13.522 2.481 -5.703 1.00 0.00 H new ATOM 0 HA HIS A 92 -15.763 4.101 -5.212 1.00 0.00 H new ATOM 0 HB2 HIS A 92 -15.286 1.727 -4.423 1.00 0.00 H new ATOM 0 HB3 HIS A 92 -14.205 2.408 -3.224 1.00 0.00 H new ATOM 0 HD2 HIS A 92 -18.072 2.653 -4.075 1.00 0.00 H new ATOM 0 HE1 HIS A 92 -17.491 3.408 0.059 1.00 0.00 H new ATOM 0 HE2 HIS A 92 -19.225 3.116 -1.782 1.00 0.00 H new ATOM 1425 N TYR A 93 -13.007 4.975 -3.644 1.00 0.00 N ATOM 1426 CA TYR A 93 -12.383 6.042 -2.870 1.00 0.00 C ATOM 1427 C TYR A 93 -12.310 7.332 -3.682 1.00 0.00 C ATOM 1428 O TYR A 93 -12.501 8.425 -3.150 1.00 0.00 O ATOM 1429 CB TYR A 93 -10.980 5.625 -2.426 1.00 0.00 C ATOM 1430 CG TYR A 93 -10.953 4.918 -1.090 1.00 0.00 C ATOM 1431 CD1 TYR A 93 -11.658 5.419 -0.002 1.00 0.00 C ATOM 1432 CD2 TYR A 93 -10.223 3.749 -0.915 1.00 0.00 C ATOM 1433 CE1 TYR A 93 -11.636 4.777 1.221 1.00 0.00 C ATOM 1434 CE2 TYR A 93 -10.196 3.099 0.304 1.00 0.00 C ATOM 1435 CZ TYR A 93 -10.903 3.617 1.369 1.00 0.00 C ATOM 1436 OH TYR A 93 -10.879 2.974 2.585 1.00 0.00 O ATOM 0 H TYR A 93 -12.365 4.242 -3.946 1.00 0.00 H new ATOM 0 HA TYR A 93 -12.997 6.224 -1.988 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -10.548 4.970 -3.183 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -10.347 6.511 -2.372 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -12.233 6.326 -0.115 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -9.667 3.341 -1.746 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -12.189 5.180 2.056 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -9.624 2.190 0.422 1.00 0.00 H new ATOM 0 HH TYR A 93 -10.156 2.313 2.591 1.00 0.00 H new ATOM 1446 N ARG A 94 -12.033 7.195 -4.975 1.00 0.00 N ATOM 1447 CA ARG A 94 -11.933 8.348 -5.861 1.00 0.00 C ATOM 1448 C ARG A 94 -13.116 9.291 -5.661 1.00 0.00 C ATOM 1449 O ARG A 94 -12.990 10.505 -5.824 1.00 0.00 O ATOM 1450 CB ARG A 94 -11.872 7.892 -7.320 1.00 0.00 C ATOM 1451 CG ARG A 94 -10.679 7.003 -7.631 1.00 0.00 C ATOM 1452 CD ARG A 94 -10.352 7.009 -9.116 1.00 0.00 C ATOM 1453 NE ARG A 94 -11.488 6.584 -9.929 1.00 0.00 N ATOM 1454 CZ ARG A 94 -11.582 6.805 -11.235 1.00 0.00 C ATOM 1455 NH1 ARG A 94 -10.611 7.444 -11.874 1.00 0.00 N ATOM 1456 NH2 ARG A 94 -12.647 6.387 -11.906 1.00 0.00 N ATOM 0 H ARG A 94 -11.874 6.297 -5.432 1.00 0.00 H new ATOM 0 HA ARG A 94 -11.017 8.885 -5.616 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -12.788 7.354 -7.562 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -11.838 8.770 -7.965 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -9.812 7.344 -7.065 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -10.889 5.984 -7.308 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -10.047 8.012 -9.416 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -9.505 6.349 -9.303 1.00 0.00 H new ATOM 0 HE ARG A 94 -12.252 6.090 -9.468 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -9.790 7.767 -11.362 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -10.685 7.613 -12.877 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -13.396 5.895 -11.419 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -12.717 6.558 -12.909 1.00 0.00 H new ATOM 1470 N LYS A 95 -14.264 8.725 -5.306 1.00 0.00 N ATOM 1471 CA LYS A 95 -15.470 9.514 -5.083 1.00 0.00 C ATOM 1472 C LYS A 95 -15.716 9.721 -3.591 1.00 0.00 C ATOM 1473 O LYS A 95 -16.430 10.640 -3.193 1.00 0.00 O ATOM 1474 CB LYS A 95 -16.680 8.826 -5.719 1.00 0.00 C ATOM 1475 CG LYS A 95 -16.767 9.017 -7.223 1.00 0.00 C ATOM 1476 CD LYS A 95 -17.630 7.948 -7.872 1.00 0.00 C ATOM 1477 CE LYS A 95 -19.090 8.370 -7.931 1.00 0.00 C ATOM 1478 NZ LYS A 95 -19.291 9.547 -8.822 1.00 0.00 N ATOM 0 H LYS A 95 -14.385 7.722 -5.166 1.00 0.00 H new ATOM 0 HA LYS A 95 -15.328 10.489 -5.549 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -16.638 7.759 -5.498 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -17.590 9.211 -5.259 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -17.180 10.002 -7.442 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -15.766 8.988 -7.653 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -17.267 7.748 -8.880 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -17.542 7.018 -7.311 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -19.695 7.537 -8.288 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -19.440 8.610 -6.927 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -20.264 9.542 -9.189 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -19.128 10.422 -8.284 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -18.621 9.500 -9.616 1.00 0.00 H new ATOM 1492 N GLU A 96 -15.117 8.861 -2.773 1.00 0.00 N ATOM 1493 CA GLU A 96 -15.272 8.952 -1.325 1.00 0.00 C ATOM 1494 C GLU A 96 -13.934 9.246 -0.653 1.00 0.00 C ATOM 1495 O GLU A 96 -12.990 8.463 -0.760 1.00 0.00 O ATOM 1496 CB GLU A 96 -15.860 7.653 -0.771 1.00 0.00 C ATOM 1497 CG GLU A 96 -17.347 7.494 -1.041 1.00 0.00 C ATOM 1498 CD GLU A 96 -18.206 8.096 0.054 1.00 0.00 C ATOM 1499 OE1 GLU A 96 -17.846 9.177 0.565 1.00 0.00 O ATOM 1500 OE2 GLU A 96 -19.240 7.485 0.399 1.00 0.00 O ATOM 0 H GLU A 96 -14.521 8.095 -3.087 1.00 0.00 H new ATOM 0 HA GLU A 96 -15.956 9.773 -1.108 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -15.328 6.808 -1.208 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -15.689 7.616 0.305 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -17.593 7.967 -1.992 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -17.583 6.435 -1.142 1.00 0.00 H new ATOM 1507 N GLN A 97 -13.862 10.378 0.039 1.00 0.00 N ATOM 1508 CA GLN A 97 -12.639 10.775 0.728 1.00 0.00 C ATOM 1509 C GLN A 97 -12.067 9.615 1.534 1.00 0.00 C ATOM 1510 O GLN A 97 -12.726 9.083 2.429 1.00 0.00 O ATOM 1511 CB GLN A 97 -12.912 11.966 1.648 1.00 0.00 C ATOM 1512 CG GLN A 97 -14.280 11.924 2.309 1.00 0.00 C ATOM 1513 CD GLN A 97 -14.392 12.879 3.481 1.00 0.00 C ATOM 1514 OE1 GLN A 97 -14.679 12.468 4.606 1.00 0.00 O ATOM 1515 NE2 GLN A 97 -14.166 14.162 3.224 1.00 0.00 N ATOM 0 H GLN A 97 -14.635 11.036 0.138 1.00 0.00 H new ATOM 0 HA GLN A 97 -11.906 11.066 -0.024 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -12.145 12.000 2.422 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -12.824 12.887 1.072 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -15.044 12.170 1.571 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -14.483 10.909 2.652 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -13.931 14.459 2.277 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -14.227 14.851 3.974 1.00 0.00 H new ATOM 1524 N ILE A 98 -10.838 9.226 1.212 1.00 0.00 N ATOM 1525 CA ILE A 98 -10.178 8.128 1.907 1.00 0.00 C ATOM 1526 C ILE A 98 -9.605 8.589 3.243 1.00 0.00 C ATOM 1527 O ILE A 98 -9.543 7.821 4.203 1.00 0.00 O ATOM 1528 CB ILE A 98 -9.045 7.523 1.057 1.00 0.00 C ATOM 1529 CG1 ILE A 98 -8.385 6.360 1.800 1.00 0.00 C ATOM 1530 CG2 ILE A 98 -8.016 8.589 0.710 1.00 0.00 C ATOM 1531 CD1 ILE A 98 -7.554 5.466 0.907 1.00 0.00 C ATOM 0 H ILE A 98 -10.279 9.655 0.474 1.00 0.00 H new ATOM 0 HA ILE A 98 -10.936 7.365 2.083 1.00 0.00 H new ATOM 0 HB ILE A 98 -9.471 7.141 0.129 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -7.751 6.759 2.592 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -9.158 5.761 2.281 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -7.222 8.146 0.109 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -8.496 9.388 0.145 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -7.592 8.998 1.627 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -7.117 4.664 1.501 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -8.187 5.038 0.130 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -6.758 6.051 0.446 1.00 0.00 H new ATOM 1543 N VAL A 99 -9.187 9.850 3.298 1.00 0.00 N ATOM 1544 CA VAL A 99 -8.622 10.416 4.517 1.00 0.00 C ATOM 1545 C VAL A 99 -9.575 11.424 5.149 1.00 0.00 C ATOM 1546 O VAL A 99 -10.699 11.606 4.682 1.00 0.00 O ATOM 1547 CB VAL A 99 -7.272 11.105 4.243 1.00 0.00 C ATOM 1548 CG1 VAL A 99 -6.372 11.024 5.466 1.00 0.00 C ATOM 1549 CG2 VAL A 99 -6.594 10.484 3.030 1.00 0.00 C ATOM 0 H VAL A 99 -9.229 10.499 2.512 1.00 0.00 H new ATOM 0 HA VAL A 99 -8.465 9.587 5.207 1.00 0.00 H new ATOM 0 HB VAL A 99 -7.458 12.157 4.028 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -5.423 11.516 5.253 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -6.856 11.519 6.308 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -6.190 9.979 5.716 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -5.642 10.983 2.851 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -6.420 9.424 3.214 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -7.235 10.600 2.156 1.00 0.00 H new ATOM 1559 N GLU A 100 -9.118 12.076 6.214 1.00 0.00 N ATOM 1560 CA GLU A 100 -9.932 13.066 6.910 1.00 0.00 C ATOM 1561 C GLU A 100 -9.843 14.424 6.221 1.00 0.00 C ATOM 1562 O GLU A 100 -9.845 15.466 6.875 1.00 0.00 O ATOM 1563 CB GLU A 100 -9.485 13.191 8.368 1.00 0.00 C ATOM 1564 CG GLU A 100 -7.998 13.460 8.528 1.00 0.00 C ATOM 1565 CD GLU A 100 -7.664 14.117 9.853 1.00 0.00 C ATOM 1566 OE1 GLU A 100 -8.307 15.133 10.192 1.00 0.00 O ATOM 1567 OE2 GLU A 100 -6.758 13.615 10.551 1.00 0.00 O ATOM 0 H GLU A 100 -8.190 11.937 6.613 1.00 0.00 H new ATOM 0 HA GLU A 100 -10.969 12.731 6.883 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -10.045 13.997 8.843 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -9.738 12.272 8.897 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -7.451 12.521 8.444 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -7.658 14.100 7.714 1.00 0.00 H new ATOM 1574 N GLY A 101 -9.766 14.404 4.893 1.00 0.00 N ATOM 1575 CA GLY A 101 -9.678 15.639 4.137 1.00 0.00 C ATOM 1576 C GLY A 101 -8.795 15.507 2.911 1.00 0.00 C ATOM 1577 O GLY A 101 -8.124 16.460 2.516 1.00 0.00 O ATOM 0 H GLY A 101 -9.763 13.555 4.328 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -10.678 15.945 3.830 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -9.287 16.428 4.780 1.00 0.00 H new ATOM 1581 N TYR A 102 -8.795 14.322 2.310 1.00 0.00 N ATOM 1582 CA TYR A 102 -7.985 14.067 1.125 1.00 0.00 C ATOM 1583 C TYR A 102 -8.637 13.012 0.236 1.00 0.00 C ATOM 1584 O TYR A 102 -9.227 12.049 0.727 1.00 0.00 O ATOM 1585 CB TYR A 102 -6.581 13.613 1.529 1.00 0.00 C ATOM 1586 CG TYR A 102 -5.705 14.735 2.038 1.00 0.00 C ATOM 1587 CD1 TYR A 102 -5.693 15.078 3.384 1.00 0.00 C ATOM 1588 CD2 TYR A 102 -4.888 15.452 1.173 1.00 0.00 C ATOM 1589 CE1 TYR A 102 -4.895 16.103 3.854 1.00 0.00 C ATOM 1590 CE2 TYR A 102 -4.085 16.477 1.633 1.00 0.00 C ATOM 1591 CZ TYR A 102 -4.092 16.799 2.974 1.00 0.00 C ATOM 1592 OH TYR A 102 -3.294 17.820 3.438 1.00 0.00 O ATOM 0 H TYR A 102 -9.347 13.524 2.624 1.00 0.00 H new ATOM 0 HA TYR A 102 -7.911 14.996 0.560 1.00 0.00 H new ATOM 0 HB2 TYR A 102 -6.664 12.849 2.302 1.00 0.00 H new ATOM 0 HB3 TYR A 102 -6.098 13.147 0.670 1.00 0.00 H new ATOM 0 HD1 TYR A 102 -6.319 14.534 4.076 1.00 0.00 H new ATOM 0 HD2 TYR A 102 -4.881 15.203 0.122 1.00 0.00 H new ATOM 0 HE1 TYR A 102 -4.900 16.358 4.903 1.00 0.00 H new ATOM 0 HE2 TYR A 102 -3.455 17.023 0.947 1.00 0.00 H new ATOM 0 HH TYR A 102 -3.585 18.079 4.337 1.00 0.00 H new ATOM 1602 N TYR A 103 -8.525 13.201 -1.074 1.00 0.00 N ATOM 1603 CA TYR A 103 -9.104 12.268 -2.033 1.00 0.00 C ATOM 1604 C TYR A 103 -8.020 11.630 -2.896 1.00 0.00 C ATOM 1605 O TYR A 103 -6.864 12.055 -2.876 1.00 0.00 O ATOM 1606 CB TYR A 103 -10.123 12.983 -2.921 1.00 0.00 C ATOM 1607 CG TYR A 103 -11.498 13.090 -2.300 1.00 0.00 C ATOM 1608 CD1 TYR A 103 -12.450 12.098 -2.497 1.00 0.00 C ATOM 1609 CD2 TYR A 103 -11.844 14.184 -1.516 1.00 0.00 C ATOM 1610 CE1 TYR A 103 -13.707 12.192 -1.932 1.00 0.00 C ATOM 1611 CE2 TYR A 103 -13.099 14.286 -0.946 1.00 0.00 C ATOM 1612 CZ TYR A 103 -14.027 13.288 -1.158 1.00 0.00 C ATOM 1613 OH TYR A 103 -15.278 13.385 -0.592 1.00 0.00 O ATOM 0 H TYR A 103 -8.039 13.992 -1.496 1.00 0.00 H new ATOM 0 HA TYR A 103 -9.609 11.480 -1.474 1.00 0.00 H new ATOM 0 HB2 TYR A 103 -9.756 13.984 -3.146 1.00 0.00 H new ATOM 0 HB3 TYR A 103 -10.202 12.452 -3.869 1.00 0.00 H new ATOM 0 HD1 TYR A 103 -12.203 11.238 -3.102 1.00 0.00 H new ATOM 0 HD2 TYR A 103 -11.120 14.968 -1.349 1.00 0.00 H new ATOM 0 HE1 TYR A 103 -14.435 11.412 -2.095 1.00 0.00 H new ATOM 0 HE2 TYR A 103 -13.351 15.142 -0.338 1.00 0.00 H new ATOM 0 HH TYR A 103 -15.340 14.216 -0.077 1.00 0.00 H new ATOM 1623 N LEU A 104 -8.401 10.608 -3.654 1.00 0.00 N ATOM 1624 CA LEU A 104 -7.463 9.910 -4.526 1.00 0.00 C ATOM 1625 C LEU A 104 -7.566 10.424 -5.958 1.00 0.00 C ATOM 1626 O LEU A 104 -8.453 10.023 -6.712 1.00 0.00 O ATOM 1627 CB LEU A 104 -7.728 8.404 -4.492 1.00 0.00 C ATOM 1628 CG LEU A 104 -7.583 7.727 -3.129 1.00 0.00 C ATOM 1629 CD1 LEU A 104 -7.771 6.224 -3.257 1.00 0.00 C ATOM 1630 CD2 LEU A 104 -6.228 8.047 -2.516 1.00 0.00 C ATOM 0 H LEU A 104 -9.353 10.244 -3.682 1.00 0.00 H new ATOM 0 HA LEU A 104 -6.454 10.103 -4.162 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -8.739 8.225 -4.858 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -7.045 7.920 -5.190 1.00 0.00 H new ATOM 0 HG LEU A 104 -8.359 8.114 -2.468 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -7.664 5.759 -2.277 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -8.765 6.014 -3.652 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -7.019 5.820 -3.934 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -6.142 7.557 -1.546 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -5.437 7.689 -3.175 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -6.132 9.125 -2.387 1.00 0.00 H new ATOM 1642 N LYS A 105 -6.650 11.313 -6.330 1.00 0.00 N ATOM 1643 CA LYS A 105 -6.634 11.880 -7.673 1.00 0.00 C ATOM 1644 C LYS A 105 -6.147 10.854 -8.691 1.00 0.00 C ATOM 1645 O LYS A 105 -6.931 10.333 -9.483 1.00 0.00 O ATOM 1646 CB LYS A 105 -5.739 13.120 -7.714 1.00 0.00 C ATOM 1647 CG LYS A 105 -6.364 14.344 -7.066 1.00 0.00 C ATOM 1648 CD LYS A 105 -7.297 15.066 -8.024 1.00 0.00 C ATOM 1649 CE LYS A 105 -6.556 16.111 -8.843 1.00 0.00 C ATOM 1650 NZ LYS A 105 -7.425 16.712 -9.893 1.00 0.00 N ATOM 0 H LYS A 105 -5.909 11.656 -5.719 1.00 0.00 H new ATOM 0 HA LYS A 105 -7.653 12.166 -7.932 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -4.798 12.895 -7.213 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -5.500 13.351 -8.752 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -6.916 14.044 -6.176 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -5.578 15.025 -6.739 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -7.764 14.343 -8.692 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -8.099 15.545 -7.461 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -6.189 16.896 -8.183 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -5.684 15.654 -9.311 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -6.883 17.419 -10.429 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -7.755 15.967 -10.539 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -8.244 17.170 -9.445 1.00 0.00 H new ATOM 1664 N GLU A 106 -4.849 10.569 -8.662 1.00 0.00 N ATOM 1665 CA GLU A 106 -4.259 9.604 -9.583 1.00 0.00 C ATOM 1666 C GLU A 106 -3.158 8.801 -8.897 1.00 0.00 C ATOM 1667 O GLU A 106 -2.409 9.311 -8.063 1.00 0.00 O ATOM 1668 CB GLU A 106 -3.694 10.319 -10.812 1.00 0.00 C ATOM 1669 CG GLU A 106 -2.709 11.425 -10.474 1.00 0.00 C ATOM 1670 CD GLU A 106 -1.949 11.921 -11.689 1.00 0.00 C ATOM 1671 OE1 GLU A 106 -2.600 12.381 -12.650 1.00 0.00 O ATOM 1672 OE2 GLU A 106 -0.702 11.850 -11.677 1.00 0.00 O ATOM 0 H GLU A 106 -4.187 10.992 -8.012 1.00 0.00 H new ATOM 0 HA GLU A 106 -5.043 8.916 -9.900 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -3.200 9.588 -11.452 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -4.518 10.741 -11.387 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -3.246 12.258 -10.021 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -2.000 11.060 -9.731 1.00 0.00 H new ATOM 1679 N PRO A 107 -3.056 7.512 -9.255 1.00 0.00 N ATOM 1680 CA PRO A 107 -2.049 6.610 -8.687 1.00 0.00 C ATOM 1681 C PRO A 107 -0.637 6.952 -9.149 1.00 0.00 C ATOM 1682 O PRO A 107 -0.451 7.718 -10.095 1.00 0.00 O ATOM 1683 CB PRO A 107 -2.467 5.235 -9.215 1.00 0.00 C ATOM 1684 CG PRO A 107 -3.218 5.524 -10.470 1.00 0.00 C ATOM 1685 CD PRO A 107 -3.914 6.837 -10.243 1.00 0.00 C ATOM 0 HA PRO A 107 -2.014 6.672 -7.599 1.00 0.00 H new ATOM 0 HB2 PRO A 107 -1.599 4.605 -9.409 1.00 0.00 H new ATOM 0 HB3 PRO A 107 -3.090 4.706 -8.494 1.00 0.00 H new ATOM 0 HG2 PRO A 107 -2.543 5.583 -11.324 1.00 0.00 H new ATOM 0 HG3 PRO A 107 -3.937 4.733 -10.685 1.00 0.00 H new ATOM 0 HD2 PRO A 107 -3.995 7.413 -11.165 1.00 0.00 H new ATOM 0 HD3 PRO A 107 -4.927 6.695 -9.865 1.00 0.00 H new ATOM 1693 N VAL A 108 0.356 6.379 -8.477 1.00 0.00 N ATOM 1694 CA VAL A 108 1.752 6.622 -8.820 1.00 0.00 C ATOM 1695 C VAL A 108 2.169 5.804 -10.037 1.00 0.00 C ATOM 1696 O VAL A 108 2.136 4.573 -10.030 1.00 0.00 O ATOM 1697 CB VAL A 108 2.686 6.284 -7.643 1.00 0.00 C ATOM 1698 CG1 VAL A 108 4.137 6.265 -8.101 1.00 0.00 C ATOM 1699 CG2 VAL A 108 2.490 7.275 -6.506 1.00 0.00 C ATOM 0 H VAL A 108 0.220 5.743 -7.691 1.00 0.00 H new ATOM 0 HA VAL A 108 1.841 7.683 -9.051 1.00 0.00 H new ATOM 0 HB VAL A 108 2.433 5.290 -7.275 1.00 0.00 H new ATOM 0 HG11 VAL A 108 4.782 6.024 -7.256 1.00 0.00 H new ATOM 0 HG12 VAL A 108 4.263 5.513 -8.879 1.00 0.00 H new ATOM 0 HG13 VAL A 108 4.407 7.244 -8.496 1.00 0.00 H new ATOM 0 HG21 VAL A 108 3.158 7.021 -5.683 1.00 0.00 H new ATOM 0 HG22 VAL A 108 2.715 8.282 -6.858 1.00 0.00 H new ATOM 0 HG23 VAL A 108 1.457 7.233 -6.161 1.00 0.00 H new ATOM 1709 N PRO A 109 2.572 6.502 -11.109 1.00 0.00 N ATOM 1710 CA PRO A 109 3.005 5.861 -12.354 1.00 0.00 C ATOM 1711 C PRO A 109 4.339 5.139 -12.201 1.00 0.00 C ATOM 1712 O PRO A 109 4.960 5.181 -11.139 1.00 0.00 O ATOM 1713 CB PRO A 109 3.141 7.034 -13.328 1.00 0.00 C ATOM 1714 CG PRO A 109 3.396 8.219 -12.462 1.00 0.00 C ATOM 1715 CD PRO A 109 2.637 7.971 -11.188 1.00 0.00 C ATOM 0 HA PRO A 109 2.303 5.095 -12.683 1.00 0.00 H new ATOM 0 HB2 PRO A 109 3.960 6.873 -14.029 1.00 0.00 H new ATOM 0 HB3 PRO A 109 2.235 7.164 -13.920 1.00 0.00 H new ATOM 0 HG2 PRO A 109 4.462 8.336 -12.265 1.00 0.00 H new ATOM 0 HG3 PRO A 109 3.058 9.136 -12.945 1.00 0.00 H new ATOM 0 HD2 PRO A 109 3.150 8.397 -10.326 1.00 0.00 H new ATOM 0 HD3 PRO A 109 1.642 8.416 -11.220 1.00 0.00 H new ATOM 1723 N MET A 110 4.775 4.477 -13.268 1.00 0.00 N ATOM 1724 CA MET A 110 6.037 3.747 -13.251 1.00 0.00 C ATOM 1725 C MET A 110 7.163 4.594 -13.837 1.00 0.00 C ATOM 1726 O MET A 110 6.927 5.691 -14.342 1.00 0.00 O ATOM 1727 CB MET A 110 5.905 2.441 -14.036 1.00 0.00 C ATOM 1728 CG MET A 110 4.545 1.778 -13.889 1.00 0.00 C ATOM 1729 SD MET A 110 3.367 2.323 -15.140 1.00 0.00 S ATOM 1730 CE MET A 110 4.272 1.953 -16.641 1.00 0.00 C ATOM 0 H MET A 110 4.273 4.431 -14.155 1.00 0.00 H new ATOM 0 HA MET A 110 6.281 3.517 -12.214 1.00 0.00 H new ATOM 0 HB2 MET A 110 6.090 2.641 -15.091 1.00 0.00 H new ATOM 0 HB3 MET A 110 6.676 1.747 -13.703 1.00 0.00 H new ATOM 0 HG2 MET A 110 4.664 0.696 -13.954 1.00 0.00 H new ATOM 0 HG3 MET A 110 4.144 1.996 -12.899 1.00 0.00 H new ATOM 0 HE1 MET A 110 3.589 1.547 -17.387 1.00 0.00 H new ATOM 0 HE2 MET A 110 4.729 2.865 -17.025 1.00 0.00 H new ATOM 0 HE3 MET A 110 5.050 1.221 -16.426 1.00 0.00 H new ATOM 1740 N GLN A 111 8.385 4.077 -13.764 1.00 0.00 N ATOM 1741 CA GLN A 111 9.546 4.788 -14.286 1.00 0.00 C ATOM 1742 C GLN A 111 10.067 4.122 -15.555 1.00 0.00 C ATOM 1743 O GLN A 111 10.989 3.307 -15.506 1.00 0.00 O ATOM 1744 CB GLN A 111 10.654 4.841 -13.232 1.00 0.00 C ATOM 1745 CG GLN A 111 10.215 5.469 -11.919 1.00 0.00 C ATOM 1746 CD GLN A 111 9.104 4.690 -11.242 1.00 0.00 C ATOM 1747 OE1 GLN A 111 9.205 3.476 -11.058 1.00 0.00 O ATOM 1748 NE2 GLN A 111 8.037 5.385 -10.867 1.00 0.00 N ATOM 0 H GLN A 111 8.597 3.170 -13.349 1.00 0.00 H new ATOM 0 HA GLN A 111 9.238 5.804 -14.531 1.00 0.00 H new ATOM 0 HB2 GLN A 111 11.010 3.829 -13.040 1.00 0.00 H new ATOM 0 HB3 GLN A 111 11.497 5.405 -13.631 1.00 0.00 H new ATOM 0 HG2 GLN A 111 11.071 5.532 -11.247 1.00 0.00 H new ATOM 0 HG3 GLN A 111 9.878 6.489 -12.103 1.00 0.00 H new ATOM 0 HE21 GLN A 111 7.996 6.389 -11.040 1.00 0.00 H new ATOM 0 HE22 GLN A 111 7.258 4.915 -10.406 1.00 0.00 H new ATOM 1757 N ASP A 112 9.471 4.473 -16.689 1.00 0.00 N ATOM 1758 CA ASP A 112 9.875 3.909 -17.972 1.00 0.00 C ATOM 1759 C ASP A 112 11.237 4.448 -18.397 1.00 0.00 C ATOM 1760 O ASP A 112 11.391 5.643 -18.647 1.00 0.00 O ATOM 1761 CB ASP A 112 8.830 4.225 -19.043 1.00 0.00 C ATOM 1762 CG ASP A 112 7.485 3.594 -18.744 1.00 0.00 C ATOM 1763 OD1 ASP A 112 7.204 3.332 -17.556 1.00 0.00 O ATOM 1764 OD2 ASP A 112 6.714 3.360 -19.699 1.00 0.00 O ATOM 0 H ASP A 112 8.706 5.146 -16.746 1.00 0.00 H new ATOM 0 HA ASP A 112 9.952 2.828 -17.859 1.00 0.00 H new ATOM 0 HB2 ASP A 112 8.711 5.306 -19.123 1.00 0.00 H new ATOM 0 HB3 ASP A 112 9.187 3.871 -20.010 1.00 0.00 H new ATOM 1769 N GLN A 113 12.222 3.558 -18.475 1.00 0.00 N ATOM 1770 CA GLN A 113 13.571 3.946 -18.868 1.00 0.00 C ATOM 1771 C GLN A 113 13.878 3.484 -20.288 1.00 0.00 C ATOM 1772 O GLN A 113 14.169 4.297 -21.166 1.00 0.00 O ATOM 1773 CB GLN A 113 14.597 3.359 -17.896 1.00 0.00 C ATOM 1774 CG GLN A 113 14.450 3.874 -16.473 1.00 0.00 C ATOM 1775 CD GLN A 113 15.767 3.899 -15.723 1.00 0.00 C ATOM 1776 OE1 GLN A 113 16.672 3.114 -16.008 1.00 0.00 O ATOM 1777 NE2 GLN A 113 15.882 4.803 -14.757 1.00 0.00 N ATOM 0 H GLN A 113 12.111 2.565 -18.271 1.00 0.00 H new ATOM 0 HA GLN A 113 13.632 5.034 -18.838 1.00 0.00 H new ATOM 0 HB2 GLN A 113 14.502 2.273 -17.892 1.00 0.00 H new ATOM 0 HB3 GLN A 113 15.600 3.590 -18.256 1.00 0.00 H new ATOM 0 HG2 GLN A 113 14.030 4.880 -16.496 1.00 0.00 H new ATOM 0 HG3 GLN A 113 13.741 3.245 -15.934 1.00 0.00 H new ATOM 0 HE21 GLN A 113 15.107 5.434 -14.554 1.00 0.00 H new ATOM 0 HE22 GLN A 113 16.746 4.866 -14.218 1.00 0.00 H new ATOM 1786 N SER A 114 13.811 2.175 -20.508 1.00 0.00 N ATOM 1787 CA SER A 114 14.086 1.605 -21.821 1.00 0.00 C ATOM 1788 C SER A 114 12.825 1.586 -22.680 1.00 0.00 C ATOM 1789 O SER A 114 11.709 1.591 -22.163 1.00 0.00 O ATOM 1790 CB SER A 114 14.641 0.186 -21.679 1.00 0.00 C ATOM 1791 OG SER A 114 15.250 -0.247 -22.884 1.00 0.00 O ATOM 0 H SER A 114 13.568 1.489 -19.793 1.00 0.00 H new ATOM 0 HA SER A 114 14.831 2.231 -22.313 1.00 0.00 H new ATOM 0 HB2 SER A 114 15.370 0.157 -20.869 1.00 0.00 H new ATOM 0 HB3 SER A 114 13.836 -0.497 -21.409 1.00 0.00 H new ATOM 0 HG SER A 114 15.598 -1.156 -22.767 1.00 0.00 H new ATOM 1797 N GLY A 115 13.013 1.564 -23.996 1.00 0.00 N ATOM 1798 CA GLY A 115 11.883 1.545 -24.907 1.00 0.00 C ATOM 1799 C GLY A 115 11.865 2.745 -25.833 1.00 0.00 C ATOM 1800 O GLY A 115 12.527 3.754 -25.590 1.00 0.00 O ATOM 0 H GLY A 115 13.928 1.559 -24.448 1.00 0.00 H new ATOM 0 HA2 GLY A 115 11.915 0.632 -25.501 1.00 0.00 H new ATOM 0 HA3 GLY A 115 10.957 1.519 -24.332 1.00 0.00 H new ATOM 1804 N PRO A 116 11.092 2.642 -26.925 1.00 0.00 N ATOM 1805 CA PRO A 116 10.973 3.717 -27.914 1.00 0.00 C ATOM 1806 C PRO A 116 10.214 4.923 -27.371 1.00 0.00 C ATOM 1807 O PRO A 116 10.420 6.051 -27.817 1.00 0.00 O ATOM 1808 CB PRO A 116 10.191 3.063 -29.056 1.00 0.00 C ATOM 1809 CG PRO A 116 9.418 1.968 -28.407 1.00 0.00 C ATOM 1810 CD PRO A 116 10.276 1.468 -27.278 1.00 0.00 C ATOM 0 HA PRO A 116 11.947 4.105 -28.213 1.00 0.00 H new ATOM 0 HB2 PRO A 116 9.530 3.779 -29.544 1.00 0.00 H new ATOM 0 HB3 PRO A 116 10.861 2.674 -29.823 1.00 0.00 H new ATOM 0 HG2 PRO A 116 8.460 2.333 -28.037 1.00 0.00 H new ATOM 0 HG3 PRO A 116 9.202 1.169 -29.116 1.00 0.00 H new ATOM 0 HD2 PRO A 116 9.674 1.129 -26.435 1.00 0.00 H new ATOM 0 HD3 PRO A 116 10.896 0.626 -27.586 1.00 0.00 H new ATOM 1818 N SER A 117 9.335 4.677 -26.404 1.00 0.00 N ATOM 1819 CA SER A 117 8.542 5.742 -25.802 1.00 0.00 C ATOM 1820 C SER A 117 7.899 5.272 -24.501 1.00 0.00 C ATOM 1821 O SER A 117 7.773 4.072 -24.256 1.00 0.00 O ATOM 1822 CB SER A 117 7.462 6.216 -26.777 1.00 0.00 C ATOM 1823 OG SER A 117 6.657 5.134 -27.211 1.00 0.00 O ATOM 0 H SER A 117 9.154 3.749 -26.021 1.00 0.00 H new ATOM 0 HA SER A 117 9.208 6.575 -25.577 1.00 0.00 H new ATOM 0 HB2 SER A 117 6.837 6.968 -26.295 1.00 0.00 H new ATOM 0 HB3 SER A 117 7.929 6.694 -27.638 1.00 0.00 H new ATOM 0 HG SER A 117 5.974 5.463 -27.832 1.00 0.00 H new ATOM 1829 N SER A 118 7.493 6.227 -23.670 1.00 0.00 N ATOM 1830 CA SER A 118 6.865 5.912 -22.392 1.00 0.00 C ATOM 1831 C SER A 118 5.457 5.364 -22.599 1.00 0.00 C ATOM 1832 O SER A 118 4.590 6.040 -23.152 1.00 0.00 O ATOM 1833 CB SER A 118 6.815 7.157 -21.504 1.00 0.00 C ATOM 1834 OG SER A 118 6.160 8.227 -22.162 1.00 0.00 O ATOM 0 H SER A 118 7.588 7.225 -23.859 1.00 0.00 H new ATOM 0 HA SER A 118 7.465 5.147 -21.899 1.00 0.00 H new ATOM 0 HB2 SER A 118 6.295 6.924 -20.575 1.00 0.00 H new ATOM 0 HB3 SER A 118 7.828 7.457 -21.235 1.00 0.00 H new ATOM 0 HG SER A 118 5.491 7.869 -22.782 1.00 0.00 H new ATOM 1840 N GLY A 119 5.235 4.132 -22.150 1.00 0.00 N ATOM 1841 CA GLY A 119 3.931 3.513 -22.294 1.00 0.00 C ATOM 1842 C GLY A 119 3.961 2.024 -22.008 1.00 0.00 C ATOM 1843 O GLY A 119 4.663 1.270 -22.682 1.00 0.00 O ATOM 0 H GLY A 119 5.936 3.552 -21.689 1.00 0.00 H new ATOM 0 HA2 GLY A 119 3.226 3.996 -21.617 1.00 0.00 H new ATOM 0 HA3 GLY A 119 3.564 3.678 -23.307 1.00 0.00 H new TER 1847 GLY A 119