USER MOD reduce.3.24.130724 H: found=0, std=0, add=854, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 852 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 26 MET CE :methyl -120:sc= -5.78! (180deg=-4.57!) USER MOD Set 1.2: A 80 CYS SG : rot -50:sc= -0.726 USER MOD Set 1.3: A 88 THR OG1 : rot -136:sc= -0.0149 USER MOD Set 2.1: A 62 HIS : no HD1:sc= -1.46 K(o=-3,f=0.15) USER MOD Set 2.2: A 66 ASN : amide:sc= -1.51 K(o=-3,f=-1.2!) USER MOD Set 3.1: A 27 SER OG : rot 74:sc= 0.657 USER MOD Set 3.2: A 61 THR OG1 : rot 97:sc= -1.15 USER MOD Set 4.1: A 48 THR OG1 : rot 109:sc= 0.0116 USER MOD Set 4.2: A 49 THR OG1 : rot 108:sc= 0.00287 USER MOD Single : A 10 THR OG1 : rot 10:sc= 0.881 USER MOD Single : A 11 SER OG : rot -180:sc= 1.25 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ -138:sc= 0.00916 (180deg=0) USER MOD Single : A 18 SER OG : rot -98:sc= 0.706 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 GLN : amide:sc= -0.605 X(o=-0.6,f=-0.59) USER MOD Single : A 32 GLN : amide:sc= -0.0915 K(o=-0.092,f=-0.64) USER MOD Single : A 33 CYS SG : rot 66:sc= -0.858! USER MOD Single : A 35 ASN : amide:sc= -2.14! K(o=-2.1!,f=-0.15) USER MOD Single : A 37 TYR OH : rot -130:sc= -0.615 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 CYS SG : rot -80:sc= -3.3! USER MOD Single : A 43 LYS NZ :NH3+ 163:sc= -0.0402 (180deg=-0.285) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 59 LYS NZ :NH3+ -170:sc= 1.22 (180deg=0.717) USER MOD Single : A 65 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ -161:sc= -0.101 (180deg=-0.601) USER MOD Single : A 70 LYS NZ :NH3+ -134:sc= -0.443 (180deg=-2.26!) USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 CYS SG : rot -115:sc= -0.204 USER MOD Single : A 73 LYS NZ :NH3+ 150:sc= 1.29 (180deg=1.12) USER MOD Single : A 74 ASN : amide:sc= -1.69! C(o=-1.7!,f=-4.8!) USER MOD Single : A 81 ASN : amide:sc= -4.2! C(o=-4.2!,f=-18!) USER MOD Single : A 83 ASN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 85 LYS NZ :NH3+ -155:sc= 1.24 (180deg=1.17) USER MOD Single : A 86 HIS : no HD1:sc= -0.0616 X(o=-0.062,f=0) USER MOD Single : A 87 LYS NZ :NH3+ -156:sc= 0.5 (180deg=0.491) USER MOD Single : A 89 LYS NZ :NH3+ -151:sc= -0.169 (180deg=-0.715) USER MOD Single : A 91 TYR OH : rot 165:sc= 0 USER MOD Single : A 93 LYS NZ :NH3+ 159:sc= 1.2 (180deg=1.01) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 TYR OH : rot 110:sc= -2.47! USER MOD Single : A 96 MET CE :methyl 163:sc= -2.43 (180deg=-2.98!) USER MOD Single : A 97 GLN : amide:sc= 0.165 K(o=0.17,f=-1.1) USER MOD Single : A 98 LYS NZ :NH3+ -159:sc= 1.14 (180deg=0.788) USER MOD Single : A 103 TYR OH : rot 180:sc= -0.891 USER MOD Single : A 104 LYS NZ :NH3+ 140:sc= 1.3 (180deg=0.906) USER MOD Single : A 106 LYS NZ :NH3+ -153:sc= 1.2 (180deg=-0.575) USER MOD Single : A 109 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 10 -2.409 -23.440 3.061 1.00 0.00 N ATOM 2 CA THR A 10 -1.470 -22.806 3.961 1.00 0.00 C ATOM 3 C THR A 10 -1.574 -21.274 3.930 1.00 0.00 C ATOM 4 O THR A 10 -0.707 -20.567 4.417 1.00 0.00 O ATOM 5 CB THR A 10 -0.081 -23.231 3.562 1.00 0.00 C ATOM 6 OG1 THR A 10 -0.160 -23.969 2.329 1.00 0.00 O ATOM 7 CG2 THR A 10 0.539 -24.095 4.629 1.00 0.00 C ATOM 0 HA THR A 10 -1.701 -23.117 4.980 1.00 0.00 H new ATOM 0 HB THR A 10 0.542 -22.346 3.434 1.00 0.00 H new ATOM 0 HG1 THR A 10 -1.065 -23.895 1.961 1.00 0.00 H new ATOM 0 HG21 THR A 10 1.542 -24.391 4.321 1.00 0.00 H new ATOM 0 HG22 THR A 10 0.597 -23.535 5.562 1.00 0.00 H new ATOM 0 HG23 THR A 10 -0.072 -24.985 4.777 1.00 0.00 H new ATOM 15 N SER A 11 -2.686 -20.788 3.451 1.00 0.00 N ATOM 16 CA SER A 11 -2.924 -19.379 3.238 1.00 0.00 C ATOM 17 C SER A 11 -3.285 -18.639 4.481 1.00 0.00 C ATOM 18 O SER A 11 -3.541 -17.451 4.425 1.00 0.00 O ATOM 19 CB SER A 11 -3.982 -19.214 2.220 1.00 0.00 C ATOM 20 OG SER A 11 -3.714 -20.018 1.076 1.00 0.00 O ATOM 0 H SER A 11 -3.478 -21.375 3.189 1.00 0.00 H new ATOM 0 HA SER A 11 -1.986 -18.945 2.893 1.00 0.00 H new ATOM 0 HB2 SER A 11 -4.947 -19.489 2.645 1.00 0.00 H new ATOM 0 HB3 SER A 11 -4.050 -18.167 1.926 1.00 0.00 H new ATOM 0 HG SER A 11 -4.424 -19.890 0.413 1.00 0.00 H new ATOM 26 N SER A 12 -3.372 -19.295 5.567 1.00 0.00 N ATOM 27 CA SER A 12 -3.555 -18.575 6.750 1.00 0.00 C ATOM 28 C SER A 12 -2.168 -18.179 7.234 1.00 0.00 C ATOM 29 O SER A 12 -1.897 -17.016 7.515 1.00 0.00 O ATOM 30 CB SER A 12 -4.326 -19.394 7.784 1.00 0.00 C ATOM 31 OG SER A 12 -4.643 -18.624 8.935 1.00 0.00 O ATOM 0 H SER A 12 -3.320 -20.309 5.660 1.00 0.00 H new ATOM 0 HA SER A 12 -4.161 -17.684 6.583 1.00 0.00 H new ATOM 0 HB2 SER A 12 -5.244 -19.774 7.336 1.00 0.00 H new ATOM 0 HB3 SER A 12 -3.733 -20.260 8.078 1.00 0.00 H new ATOM 0 HG SER A 12 -5.137 -19.179 9.574 1.00 0.00 H new ATOM 37 N GLU A 13 -1.250 -19.130 7.239 1.00 0.00 N ATOM 38 CA GLU A 13 0.089 -18.886 7.749 1.00 0.00 C ATOM 39 C GLU A 13 0.978 -18.164 6.737 1.00 0.00 C ATOM 40 O GLU A 13 1.766 -17.306 7.113 1.00 0.00 O ATOM 41 CB GLU A 13 0.731 -20.176 8.212 1.00 0.00 C ATOM 42 CG GLU A 13 0.725 -21.255 7.145 1.00 0.00 C ATOM 43 CD GLU A 13 1.560 -22.439 7.520 1.00 0.00 C ATOM 44 OE1 GLU A 13 2.781 -22.394 7.312 1.00 0.00 O ATOM 45 OE2 GLU A 13 1.008 -23.435 8.013 1.00 0.00 O ATOM 0 H GLU A 13 -1.407 -20.078 6.896 1.00 0.00 H new ATOM 0 HA GLU A 13 -0.014 -18.221 8.607 1.00 0.00 H new ATOM 0 HB2 GLU A 13 1.759 -19.976 8.514 1.00 0.00 H new ATOM 0 HB3 GLU A 13 0.205 -20.541 9.094 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -0.300 -21.580 6.967 1.00 0.00 H new ATOM 0 HG3 GLU A 13 1.094 -20.837 6.208 1.00 0.00 H new ATOM 52 N LEU A 14 0.835 -18.519 5.457 1.00 0.00 N ATOM 53 CA LEU A 14 1.590 -17.904 4.358 1.00 0.00 C ATOM 54 C LEU A 14 1.272 -16.437 4.348 1.00 0.00 C ATOM 55 O LEU A 14 2.134 -15.577 4.177 1.00 0.00 O ATOM 56 CB LEU A 14 1.083 -18.533 3.028 1.00 0.00 C ATOM 57 CG LEU A 14 1.939 -18.362 1.741 1.00 0.00 C ATOM 58 CD1 LEU A 14 1.413 -19.282 0.657 1.00 0.00 C ATOM 59 CD2 LEU A 14 1.924 -16.926 1.215 1.00 0.00 C ATOM 0 H LEU A 14 0.188 -19.246 5.151 1.00 0.00 H new ATOM 0 HA LEU A 14 2.662 -18.061 4.473 1.00 0.00 H new ATOM 0 HB2 LEU A 14 0.953 -19.602 3.198 1.00 0.00 H new ATOM 0 HB3 LEU A 14 0.095 -18.120 2.824 1.00 0.00 H new ATOM 0 HG LEU A 14 2.967 -18.614 2.003 1.00 0.00 H new ATOM 0 HD11 LEU A 14 2.013 -19.162 -0.245 1.00 0.00 H new ATOM 0 HD12 LEU A 14 1.472 -20.316 0.997 1.00 0.00 H new ATOM 0 HD13 LEU A 14 0.375 -19.031 0.438 1.00 0.00 H new ATOM 0 HD21 LEU A 14 2.537 -16.861 0.316 1.00 0.00 H new ATOM 0 HD22 LEU A 14 0.900 -16.636 0.978 1.00 0.00 H new ATOM 0 HD23 LEU A 14 2.324 -16.256 1.976 1.00 0.00 H new ATOM 71 N ALA A 15 0.034 -16.177 4.645 1.00 0.00 N ATOM 72 CA ALA A 15 -0.494 -14.880 4.594 1.00 0.00 C ATOM 73 C ALA A 15 -0.064 -14.065 5.768 1.00 0.00 C ATOM 74 O ALA A 15 0.050 -12.867 5.647 1.00 0.00 O ATOM 75 CB ALA A 15 -1.948 -14.905 4.497 1.00 0.00 C ATOM 0 H ALA A 15 -0.638 -16.888 4.934 1.00 0.00 H new ATOM 0 HA ALA A 15 -0.098 -14.408 3.694 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -2.328 -13.884 4.459 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -2.243 -15.436 3.592 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -2.362 -15.414 5.367 1.00 0.00 H new ATOM 81 N LYS A 16 0.199 -14.707 6.903 1.00 0.00 N ATOM 82 CA LYS A 16 0.696 -13.987 8.063 1.00 0.00 C ATOM 83 C LYS A 16 1.966 -13.252 7.702 1.00 0.00 C ATOM 84 O LYS A 16 2.158 -12.106 8.101 1.00 0.00 O ATOM 85 CB LYS A 16 0.908 -14.895 9.277 1.00 0.00 C ATOM 86 CG LYS A 16 -0.371 -15.502 9.843 1.00 0.00 C ATOM 87 CD LYS A 16 -1.380 -14.430 10.239 1.00 0.00 C ATOM 88 CE LYS A 16 -2.586 -15.036 10.942 1.00 0.00 C ATOM 89 NZ LYS A 16 -3.630 -14.028 11.232 1.00 0.00 N ATOM 0 H LYS A 16 0.077 -15.710 7.040 1.00 0.00 H new ATOM 0 HA LYS A 16 -0.067 -13.266 8.356 1.00 0.00 H new ATOM 0 HB2 LYS A 16 1.585 -15.702 8.998 1.00 0.00 H new ATOM 0 HB3 LYS A 16 1.402 -14.322 10.062 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -0.817 -16.165 9.102 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -0.129 -16.113 10.713 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -0.902 -13.703 10.895 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -1.708 -13.891 9.350 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -3.008 -15.825 10.320 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -2.265 -15.502 11.874 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -4.432 -14.486 11.711 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -3.236 -13.288 11.847 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -3.957 -13.601 10.342 1.00 0.00 H new ATOM 103 N LYS A 17 2.792 -13.889 6.884 1.00 0.00 N ATOM 104 CA LYS A 17 3.976 -13.242 6.384 1.00 0.00 C ATOM 105 C LYS A 17 3.596 -12.313 5.240 1.00 0.00 C ATOM 106 O LYS A 17 4.086 -11.195 5.165 1.00 0.00 O ATOM 107 CB LYS A 17 5.058 -14.223 5.864 1.00 0.00 C ATOM 108 CG LYS A 17 5.652 -15.221 6.863 1.00 0.00 C ATOM 109 CD LYS A 17 4.739 -16.404 7.120 1.00 0.00 C ATOM 110 CE LYS A 17 5.446 -17.468 7.950 1.00 0.00 C ATOM 111 NZ LYS A 17 4.643 -18.700 8.080 1.00 0.00 N ATOM 0 H LYS A 17 2.658 -14.847 6.560 1.00 0.00 H new ATOM 0 HA LYS A 17 4.404 -12.703 7.229 1.00 0.00 H new ATOM 0 HB2 LYS A 17 4.628 -14.790 5.039 1.00 0.00 H new ATOM 0 HB3 LYS A 17 5.877 -13.632 5.453 1.00 0.00 H new ATOM 0 HG2 LYS A 17 6.609 -15.581 6.485 1.00 0.00 H new ATOM 0 HG3 LYS A 17 5.853 -14.710 7.805 1.00 0.00 H new ATOM 0 HD2 LYS A 17 3.841 -16.069 7.640 1.00 0.00 H new ATOM 0 HD3 LYS A 17 4.417 -16.832 6.171 1.00 0.00 H new ATOM 0 HE2 LYS A 17 6.404 -17.708 7.489 1.00 0.00 H new ATOM 0 HE3 LYS A 17 5.660 -17.070 8.942 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 4.703 -19.052 9.057 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 3.651 -18.494 7.846 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 5.009 -19.423 7.429 1.00 0.00 H new ATOM 125 N SER A 18 2.662 -12.760 4.384 1.00 0.00 N ATOM 126 CA SER A 18 2.328 -12.034 3.170 1.00 0.00 C ATOM 127 C SER A 18 1.741 -10.660 3.471 1.00 0.00 C ATOM 128 O SER A 18 1.959 -9.759 2.722 1.00 0.00 O ATOM 129 CB SER A 18 1.403 -12.850 2.241 1.00 0.00 C ATOM 130 OG SER A 18 1.256 -12.248 0.946 1.00 0.00 O ATOM 0 H SER A 18 2.131 -13.621 4.519 1.00 0.00 H new ATOM 0 HA SER A 18 3.264 -11.877 2.635 1.00 0.00 H new ATOM 0 HB2 SER A 18 1.805 -13.857 2.127 1.00 0.00 H new ATOM 0 HB3 SER A 18 0.422 -12.949 2.706 1.00 0.00 H new ATOM 0 HG SER A 18 0.424 -11.731 0.918 1.00 0.00 H new ATOM 136 N LYS A 19 1.027 -10.503 4.583 1.00 0.00 N ATOM 137 CA LYS A 19 0.440 -9.207 4.921 1.00 0.00 C ATOM 138 C LYS A 19 1.514 -8.262 5.369 1.00 0.00 C ATOM 139 O LYS A 19 1.443 -7.093 5.081 1.00 0.00 O ATOM 140 CB LYS A 19 -0.647 -9.315 6.009 1.00 0.00 C ATOM 141 CG LYS A 19 -1.646 -10.466 5.823 1.00 0.00 C ATOM 142 CD LYS A 19 -2.957 -10.245 6.570 1.00 0.00 C ATOM 143 CE LYS A 19 -2.724 -9.942 8.025 1.00 0.00 C ATOM 144 NZ LYS A 19 -3.981 -9.879 8.792 1.00 0.00 N ATOM 0 H LYS A 19 0.842 -11.245 5.258 1.00 0.00 H new ATOM 0 HA LYS A 19 -0.041 -8.827 4.020 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -0.159 -9.431 6.977 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -1.200 -8.377 6.042 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -1.856 -10.589 4.761 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -1.190 -11.394 6.167 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -3.504 -9.422 6.110 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -3.582 -11.133 6.479 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -2.077 -10.707 8.454 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -2.197 -8.992 8.116 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -3.770 -9.668 9.788 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -4.589 -9.131 8.401 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -4.473 -10.793 8.729 1.00 0.00 H new ATOM 158 N GLU A 20 2.535 -8.785 6.033 1.00 0.00 N ATOM 159 CA GLU A 20 3.636 -7.960 6.519 1.00 0.00 C ATOM 160 C GLU A 20 4.509 -7.582 5.376 1.00 0.00 C ATOM 161 O GLU A 20 4.879 -6.420 5.214 1.00 0.00 O ATOM 162 CB GLU A 20 4.468 -8.695 7.522 1.00 0.00 C ATOM 163 CG GLU A 20 3.663 -9.338 8.575 1.00 0.00 C ATOM 164 CD GLU A 20 4.521 -9.951 9.636 1.00 0.00 C ATOM 165 OE1 GLU A 20 5.203 -10.948 9.359 1.00 0.00 O ATOM 166 OE2 GLU A 20 4.540 -9.438 10.782 1.00 0.00 O ATOM 0 H GLU A 20 2.625 -9.778 6.249 1.00 0.00 H new ATOM 0 HA GLU A 20 3.208 -7.077 6.994 1.00 0.00 H new ATOM 0 HB2 GLU A 20 5.059 -9.454 7.010 1.00 0.00 H new ATOM 0 HB3 GLU A 20 5.171 -8.000 7.982 1.00 0.00 H new ATOM 0 HG2 GLU A 20 2.999 -8.600 9.026 1.00 0.00 H new ATOM 0 HG3 GLU A 20 3.031 -10.106 8.130 1.00 0.00 H new ATOM 173 N VAL A 21 4.808 -8.563 4.557 1.00 0.00 N ATOM 174 CA VAL A 21 5.605 -8.344 3.392 1.00 0.00 C ATOM 175 C VAL A 21 4.870 -7.391 2.498 1.00 0.00 C ATOM 176 O VAL A 21 5.448 -6.419 2.059 1.00 0.00 O ATOM 177 CB VAL A 21 5.951 -9.661 2.649 1.00 0.00 C ATOM 178 CG1 VAL A 21 6.745 -9.387 1.373 1.00 0.00 C ATOM 179 CG2 VAL A 21 6.748 -10.579 3.559 1.00 0.00 C ATOM 0 H VAL A 21 4.503 -9.528 4.686 1.00 0.00 H new ATOM 0 HA VAL A 21 6.562 -7.919 3.693 1.00 0.00 H new ATOM 0 HB VAL A 21 5.014 -10.144 2.372 1.00 0.00 H new ATOM 0 HG11 VAL A 21 6.972 -10.330 0.876 1.00 0.00 H new ATOM 0 HG12 VAL A 21 6.156 -8.758 0.706 1.00 0.00 H new ATOM 0 HG13 VAL A 21 7.675 -8.877 1.625 1.00 0.00 H new ATOM 0 HG21 VAL A 21 6.986 -11.501 3.028 1.00 0.00 H new ATOM 0 HG22 VAL A 21 7.672 -10.083 3.857 1.00 0.00 H new ATOM 0 HG23 VAL A 21 6.159 -10.813 4.446 1.00 0.00 H new ATOM 189 N PHE A 22 3.558 -7.591 2.372 1.00 0.00 N ATOM 190 CA PHE A 22 2.721 -6.730 1.537 1.00 0.00 C ATOM 191 C PHE A 22 2.726 -5.328 2.055 1.00 0.00 C ATOM 192 O PHE A 22 3.040 -4.393 1.316 1.00 0.00 O ATOM 193 CB PHE A 22 1.256 -7.237 1.485 1.00 0.00 C ATOM 194 CG PHE A 22 0.259 -6.151 1.156 1.00 0.00 C ATOM 195 CD1 PHE A 22 0.222 -5.580 -0.090 1.00 0.00 C ATOM 196 CD2 PHE A 22 -0.598 -5.671 2.127 1.00 0.00 C ATOM 197 CE1 PHE A 22 -0.650 -4.547 -0.368 1.00 0.00 C ATOM 198 CE2 PHE A 22 -1.470 -4.651 1.853 1.00 0.00 C ATOM 199 CZ PHE A 22 -1.502 -4.082 0.611 1.00 0.00 C ATOM 0 H PHE A 22 3.051 -8.343 2.839 1.00 0.00 H new ATOM 0 HA PHE A 22 3.141 -6.756 0.531 1.00 0.00 H new ATOM 0 HB2 PHE A 22 1.179 -8.029 0.740 1.00 0.00 H new ATOM 0 HB3 PHE A 22 0.997 -7.679 2.447 1.00 0.00 H new ATOM 0 HD1 PHE A 22 0.883 -5.943 -0.863 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -0.580 -6.106 3.115 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -0.665 -4.103 -1.352 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -2.137 -4.294 2.624 1.00 0.00 H new ATOM 0 HZ PHE A 22 -2.188 -3.276 0.398 1.00 0.00 H new ATOM 209 N ARG A 23 2.389 -5.186 3.330 1.00 0.00 N ATOM 210 CA ARG A 23 2.303 -3.871 3.941 1.00 0.00 C ATOM 211 C ARG A 23 3.630 -3.136 3.825 1.00 0.00 C ATOM 212 O ARG A 23 3.653 -1.950 3.630 1.00 0.00 O ATOM 213 CB ARG A 23 1.780 -3.950 5.400 1.00 0.00 C ATOM 214 CG ARG A 23 2.728 -4.586 6.425 1.00 0.00 C ATOM 215 CD ARG A 23 3.580 -3.558 7.141 1.00 0.00 C ATOM 216 NE ARG A 23 2.752 -2.674 7.953 1.00 0.00 N ATOM 217 CZ ARG A 23 2.869 -1.354 8.012 1.00 0.00 C ATOM 218 NH1 ARG A 23 3.867 -0.733 7.377 1.00 0.00 N ATOM 219 NH2 ARG A 23 2.010 -0.662 8.740 1.00 0.00 N ATOM 0 H ARG A 23 2.172 -5.962 3.956 1.00 0.00 H new ATOM 0 HA ARG A 23 1.566 -3.285 3.392 1.00 0.00 H new ATOM 0 HB2 ARG A 23 1.542 -2.940 5.734 1.00 0.00 H new ATOM 0 HB3 ARG A 23 0.847 -4.514 5.400 1.00 0.00 H new ATOM 0 HG2 ARG A 23 2.145 -5.144 7.158 1.00 0.00 H new ATOM 0 HG3 ARG A 23 3.376 -5.303 5.920 1.00 0.00 H new ATOM 0 HD2 ARG A 23 4.311 -4.062 7.774 1.00 0.00 H new ATOM 0 HD3 ARG A 23 4.140 -2.972 6.412 1.00 0.00 H new ATOM 0 HE ARG A 23 2.024 -3.106 8.522 1.00 0.00 H new ATOM 0 HH11 ARG A 23 4.546 -1.274 6.842 1.00 0.00 H new ATOM 0 HH12 ARG A 23 3.950 0.282 7.427 1.00 0.00 H new ATOM 0 HH21 ARG A 23 1.268 -1.143 9.248 1.00 0.00 H new ATOM 0 HH22 ARG A 23 2.089 0.354 8.794 1.00 0.00 H new ATOM 233 N LYS A 24 4.718 -3.877 3.853 1.00 0.00 N ATOM 234 CA LYS A 24 6.030 -3.306 3.775 1.00 0.00 C ATOM 235 C LYS A 24 6.362 -2.880 2.340 1.00 0.00 C ATOM 236 O LYS A 24 6.882 -1.777 2.118 1.00 0.00 O ATOM 237 CB LYS A 24 7.040 -4.318 4.317 1.00 0.00 C ATOM 238 CG LYS A 24 8.476 -3.830 4.383 1.00 0.00 C ATOM 239 CD LYS A 24 9.314 -4.729 5.282 1.00 0.00 C ATOM 240 CE LYS A 24 9.334 -6.176 4.811 1.00 0.00 C ATOM 241 NZ LYS A 24 10.018 -7.051 5.777 1.00 0.00 N ATOM 0 H LYS A 24 4.709 -4.894 3.931 1.00 0.00 H new ATOM 0 HA LYS A 24 6.074 -2.403 4.383 1.00 0.00 H new ATOM 0 HB2 LYS A 24 6.729 -4.617 5.318 1.00 0.00 H new ATOM 0 HB3 LYS A 24 7.005 -5.211 3.693 1.00 0.00 H new ATOM 0 HG2 LYS A 24 8.904 -3.810 3.381 1.00 0.00 H new ATOM 0 HG3 LYS A 24 8.500 -2.808 4.760 1.00 0.00 H new ATOM 0 HD2 LYS A 24 10.335 -4.349 5.319 1.00 0.00 H new ATOM 0 HD3 LYS A 24 8.922 -4.687 6.298 1.00 0.00 H new ATOM 0 HE2 LYS A 24 8.312 -6.525 4.663 1.00 0.00 H new ATOM 0 HE3 LYS A 24 9.835 -6.238 3.845 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 10.013 -8.029 5.424 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 11.000 -6.732 5.899 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 9.525 -7.011 6.692 1.00 0.00 H new ATOM 255 N GLU A 25 6.000 -3.729 1.353 1.00 0.00 N ATOM 256 CA GLU A 25 6.234 -3.420 -0.064 1.00 0.00 C ATOM 257 C GLU A 25 5.468 -2.201 -0.382 1.00 0.00 C ATOM 258 O GLU A 25 5.961 -1.270 -0.952 1.00 0.00 O ATOM 259 CB GLU A 25 5.609 -4.436 -0.945 1.00 0.00 C ATOM 260 CG GLU A 25 5.939 -5.826 -0.691 1.00 0.00 C ATOM 261 CD GLU A 25 7.153 -6.278 -1.429 1.00 0.00 C ATOM 262 OE1 GLU A 25 7.025 -6.733 -2.568 1.00 0.00 O ATOM 263 OE2 GLU A 25 8.267 -6.168 -0.895 1.00 0.00 O ATOM 0 H GLU A 25 5.547 -4.628 1.516 1.00 0.00 H new ATOM 0 HA GLU A 25 7.311 -3.353 -0.216 1.00 0.00 H new ATOM 0 HB2 GLU A 25 4.527 -4.327 -0.872 1.00 0.00 H new ATOM 0 HB3 GLU A 25 5.884 -4.206 -1.974 1.00 0.00 H new ATOM 0 HG2 GLU A 25 6.096 -5.967 0.378 1.00 0.00 H new ATOM 0 HG3 GLU A 25 5.093 -6.453 -0.974 1.00 0.00 H new ATOM 270 N MET A 26 4.227 -2.260 -0.030 1.00 0.00 N ATOM 271 CA MET A 26 3.294 -1.194 -0.300 1.00 0.00 C ATOM 272 C MET A 26 3.687 0.088 0.401 1.00 0.00 C ATOM 273 O MET A 26 3.567 1.125 -0.177 1.00 0.00 O ATOM 274 CB MET A 26 1.910 -1.611 0.088 1.00 0.00 C ATOM 275 CG MET A 26 0.813 -0.597 -0.227 1.00 0.00 C ATOM 276 SD MET A 26 -0.229 -0.967 -1.674 1.00 0.00 S ATOM 277 CE MET A 26 0.912 -1.052 -3.064 1.00 0.00 C ATOM 0 H MET A 26 3.818 -3.056 0.460 1.00 0.00 H new ATOM 0 HA MET A 26 3.315 -0.993 -1.371 1.00 0.00 H new ATOM 0 HB2 MET A 26 1.674 -2.547 -0.419 1.00 0.00 H new ATOM 0 HB3 MET A 26 1.896 -1.816 1.158 1.00 0.00 H new ATOM 0 HG2 MET A 26 0.167 -0.508 0.647 1.00 0.00 H new ATOM 0 HG3 MET A 26 1.279 0.376 -0.380 1.00 0.00 H new ATOM 0 HE1 MET A 26 0.640 -0.299 -3.804 1.00 0.00 H new ATOM 0 HE2 MET A 26 1.927 -0.866 -2.713 1.00 0.00 H new ATOM 0 HE3 MET A 26 0.860 -2.042 -3.517 1.00 0.00 H new ATOM 287 N SER A 27 4.177 -0.004 1.625 1.00 0.00 N ATOM 288 CA SER A 27 4.633 1.165 2.328 1.00 0.00 C ATOM 289 C SER A 27 5.751 1.785 1.561 1.00 0.00 C ATOM 290 O SER A 27 5.754 2.968 1.344 1.00 0.00 O ATOM 291 CB SER A 27 5.094 0.877 3.774 1.00 0.00 C ATOM 292 OG SER A 27 4.031 0.435 4.600 1.00 0.00 O ATOM 0 H SER A 27 4.266 -0.877 2.145 1.00 0.00 H new ATOM 0 HA SER A 27 3.783 1.843 2.406 1.00 0.00 H new ATOM 0 HB2 SER A 27 5.878 0.120 3.759 1.00 0.00 H new ATOM 0 HB3 SER A 27 5.531 1.780 4.200 1.00 0.00 H new ATOM 0 HG SER A 27 3.805 -0.492 4.375 1.00 0.00 H new ATOM 298 N GLN A 28 6.650 0.962 1.058 1.00 0.00 N ATOM 299 CA GLN A 28 7.834 1.487 0.396 1.00 0.00 C ATOM 300 C GLN A 28 7.486 2.019 -0.968 1.00 0.00 C ATOM 301 O GLN A 28 7.991 3.064 -1.417 1.00 0.00 O ATOM 302 CB GLN A 28 8.925 0.424 0.331 1.00 0.00 C ATOM 303 CG GLN A 28 8.808 -0.627 -0.738 1.00 0.00 C ATOM 304 CD GLN A 28 9.903 -1.662 -0.665 1.00 0.00 C ATOM 305 OE1 GLN A 28 11.010 -1.383 -0.209 1.00 0.00 O ATOM 306 NE2 GLN A 28 9.622 -2.845 -1.120 1.00 0.00 N ATOM 0 H GLN A 28 6.589 -0.056 1.092 1.00 0.00 H new ATOM 0 HA GLN A 28 8.224 2.320 0.980 1.00 0.00 H new ATOM 0 HB2 GLN A 28 9.881 0.931 0.201 1.00 0.00 H new ATOM 0 HB3 GLN A 28 8.961 -0.081 1.296 1.00 0.00 H new ATOM 0 HG2 GLN A 28 7.841 -1.122 -0.650 1.00 0.00 H new ATOM 0 HG3 GLN A 28 8.833 -0.147 -1.716 1.00 0.00 H new ATOM 0 HE21 GLN A 28 8.692 -3.041 -1.491 1.00 0.00 H new ATOM 0 HE22 GLN A 28 10.331 -3.578 -1.106 1.00 0.00 H new ATOM 315 N PHE A 29 6.636 1.290 -1.605 1.00 0.00 N ATOM 316 CA PHE A 29 6.078 1.643 -2.895 1.00 0.00 C ATOM 317 C PHE A 29 5.340 2.978 -2.794 1.00 0.00 C ATOM 318 O PHE A 29 5.588 3.890 -3.581 1.00 0.00 O ATOM 319 CB PHE A 29 5.149 0.522 -3.385 1.00 0.00 C ATOM 320 CG PHE A 29 4.429 0.808 -4.653 1.00 0.00 C ATOM 321 CD1 PHE A 29 5.045 0.615 -5.872 1.00 0.00 C ATOM 322 CD2 PHE A 29 3.122 1.254 -4.627 1.00 0.00 C ATOM 323 CE1 PHE A 29 4.363 0.866 -7.034 1.00 0.00 C ATOM 324 CE2 PHE A 29 2.446 1.493 -5.783 1.00 0.00 C ATOM 325 CZ PHE A 29 3.060 1.303 -6.974 1.00 0.00 C ATOM 0 H PHE A 29 6.290 0.401 -1.244 1.00 0.00 H new ATOM 0 HA PHE A 29 6.881 1.757 -3.623 1.00 0.00 H new ATOM 0 HB2 PHE A 29 5.738 -0.385 -3.517 1.00 0.00 H new ATOM 0 HB3 PHE A 29 4.414 0.314 -2.607 1.00 0.00 H new ATOM 0 HD1 PHE A 29 6.066 0.266 -5.911 1.00 0.00 H new ATOM 0 HD2 PHE A 29 2.631 1.415 -3.678 1.00 0.00 H new ATOM 0 HE1 PHE A 29 4.845 0.722 -7.990 1.00 0.00 H new ATOM 0 HE2 PHE A 29 1.422 1.834 -5.750 1.00 0.00 H new ATOM 0 HZ PHE A 29 2.520 1.497 -7.889 1.00 0.00 H new ATOM 335 N ILE A 30 4.459 3.084 -1.813 1.00 0.00 N ATOM 336 CA ILE A 30 3.718 4.302 -1.552 1.00 0.00 C ATOM 337 C ILE A 30 4.653 5.410 -1.176 1.00 0.00 C ATOM 338 O ILE A 30 4.482 6.528 -1.627 1.00 0.00 O ATOM 339 CB ILE A 30 2.629 4.105 -0.475 1.00 0.00 C ATOM 340 CG1 ILE A 30 1.524 3.222 -1.047 1.00 0.00 C ATOM 341 CG2 ILE A 30 2.071 5.447 -0.002 1.00 0.00 C ATOM 342 CD1 ILE A 30 0.499 2.794 -0.043 1.00 0.00 C ATOM 0 H ILE A 30 4.238 2.321 -1.173 1.00 0.00 H new ATOM 0 HA ILE A 30 3.202 4.575 -2.473 1.00 0.00 H new ATOM 0 HB ILE A 30 3.067 3.618 0.396 1.00 0.00 H new ATOM 0 HG12 ILE A 30 1.025 3.760 -1.853 1.00 0.00 H new ATOM 0 HG13 ILE A 30 1.976 2.334 -1.489 1.00 0.00 H new ATOM 0 HG21 ILE A 30 1.306 5.276 0.756 1.00 0.00 H new ATOM 0 HG22 ILE A 30 2.876 6.046 0.423 1.00 0.00 H new ATOM 0 HG23 ILE A 30 1.632 5.977 -0.847 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -0.250 2.170 -0.531 1.00 0.00 H new ATOM 0 HD12 ILE A 30 0.983 2.226 0.751 1.00 0.00 H new ATOM 0 HD13 ILE A 30 0.017 3.674 0.382 1.00 0.00 H new ATOM 354 N VAL A 31 5.647 5.100 -0.357 1.00 0.00 N ATOM 355 CA VAL A 31 6.702 6.062 -0.051 1.00 0.00 C ATOM 356 C VAL A 31 7.268 6.650 -1.341 1.00 0.00 C ATOM 357 O VAL A 31 7.307 7.859 -1.499 1.00 0.00 O ATOM 358 CB VAL A 31 7.829 5.416 0.821 1.00 0.00 C ATOM 359 CG1 VAL A 31 9.125 6.222 0.789 1.00 0.00 C ATOM 360 CG2 VAL A 31 7.355 5.300 2.265 1.00 0.00 C ATOM 0 H VAL A 31 5.748 4.197 0.106 1.00 0.00 H new ATOM 0 HA VAL A 31 6.267 6.872 0.535 1.00 0.00 H new ATOM 0 HB VAL A 31 8.036 4.432 0.401 1.00 0.00 H new ATOM 0 HG11 VAL A 31 9.874 5.731 1.410 1.00 0.00 H new ATOM 0 HG12 VAL A 31 9.489 6.286 -0.237 1.00 0.00 H new ATOM 0 HG13 VAL A 31 8.939 7.226 1.171 1.00 0.00 H new ATOM 0 HG21 VAL A 31 8.141 4.850 2.871 1.00 0.00 H new ATOM 0 HG22 VAL A 31 7.122 6.292 2.652 1.00 0.00 H new ATOM 0 HG23 VAL A 31 6.463 4.675 2.306 1.00 0.00 H new ATOM 370 N GLN A 32 7.617 5.787 -2.282 1.00 0.00 N ATOM 371 CA GLN A 32 8.172 6.205 -3.554 1.00 0.00 C ATOM 372 C GLN A 32 7.166 7.043 -4.341 1.00 0.00 C ATOM 373 O GLN A 32 7.521 7.999 -5.026 1.00 0.00 O ATOM 374 CB GLN A 32 8.549 4.970 -4.356 1.00 0.00 C ATOM 375 CG GLN A 32 9.209 5.274 -5.673 1.00 0.00 C ATOM 376 CD GLN A 32 10.492 6.081 -5.520 1.00 0.00 C ATOM 377 OE1 GLN A 32 11.205 5.969 -4.519 1.00 0.00 O ATOM 378 NE2 GLN A 32 10.780 6.905 -6.486 1.00 0.00 N ATOM 0 H GLN A 32 7.522 4.776 -2.183 1.00 0.00 H new ATOM 0 HA GLN A 32 9.054 6.819 -3.370 1.00 0.00 H new ATOM 0 HB2 GLN A 32 9.220 4.352 -3.759 1.00 0.00 H new ATOM 0 HB3 GLN A 32 7.651 4.380 -4.539 1.00 0.00 H new ATOM 0 HG2 GLN A 32 9.433 4.339 -6.186 1.00 0.00 H new ATOM 0 HG3 GLN A 32 8.512 5.825 -6.304 1.00 0.00 H new ATOM 0 HE21 GLN A 32 10.168 6.972 -7.299 1.00 0.00 H new ATOM 0 HE22 GLN A 32 11.618 7.484 -6.430 1.00 0.00 H new ATOM 387 N CYS A 33 5.922 6.650 -4.251 1.00 0.00 N ATOM 388 CA CYS A 33 4.832 7.344 -4.890 1.00 0.00 C ATOM 389 C CYS A 33 4.636 8.735 -4.299 1.00 0.00 C ATOM 390 O CYS A 33 4.337 9.665 -5.008 1.00 0.00 O ATOM 391 CB CYS A 33 3.556 6.532 -4.753 1.00 0.00 C ATOM 392 SG CYS A 33 3.620 4.918 -5.553 1.00 0.00 S ATOM 0 H CYS A 33 5.632 5.826 -3.724 1.00 0.00 H new ATOM 0 HA CYS A 33 5.076 7.462 -5.946 1.00 0.00 H new ATOM 0 HB2 CYS A 33 3.339 6.392 -3.694 1.00 0.00 H new ATOM 0 HB3 CYS A 33 2.728 7.102 -5.175 1.00 0.00 H new ATOM 0 HG CYS A 33 4.495 4.169 -4.950 1.00 0.00 H new ATOM 398 N LEU A 34 4.809 8.843 -3.000 1.00 0.00 N ATOM 399 CA LEU A 34 4.675 10.102 -2.283 1.00 0.00 C ATOM 400 C LEU A 34 5.924 10.967 -2.389 1.00 0.00 C ATOM 401 O LEU A 34 5.876 12.160 -2.093 1.00 0.00 O ATOM 402 CB LEU A 34 4.352 9.868 -0.820 1.00 0.00 C ATOM 403 CG LEU A 34 3.053 9.162 -0.507 1.00 0.00 C ATOM 404 CD1 LEU A 34 2.908 9.020 0.987 1.00 0.00 C ATOM 405 CD2 LEU A 34 1.878 9.919 -1.068 1.00 0.00 C ATOM 0 H LEU A 34 5.049 8.053 -2.401 1.00 0.00 H new ATOM 0 HA LEU A 34 3.851 10.634 -2.757 1.00 0.00 H new ATOM 0 HB2 LEU A 34 5.166 9.290 -0.382 1.00 0.00 H new ATOM 0 HB3 LEU A 34 4.341 10.835 -0.317 1.00 0.00 H new ATOM 0 HG LEU A 34 3.072 8.176 -0.970 1.00 0.00 H new ATOM 0 HD11 LEU A 34 1.972 8.511 1.215 1.00 0.00 H new ATOM 0 HD12 LEU A 34 3.742 8.439 1.380 1.00 0.00 H new ATOM 0 HD13 LEU A 34 2.905 10.008 1.448 1.00 0.00 H new ATOM 0 HD21 LEU A 34 0.956 9.389 -0.829 1.00 0.00 H new ATOM 0 HD22 LEU A 34 1.847 10.917 -0.632 1.00 0.00 H new ATOM 0 HD23 LEU A 34 1.980 9.999 -2.150 1.00 0.00 H new ATOM 417 N ASN A 35 7.062 10.354 -2.737 1.00 0.00 N ATOM 418 CA ASN A 35 8.313 11.105 -2.991 1.00 0.00 C ATOM 419 C ASN A 35 8.145 12.397 -3.802 1.00 0.00 C ATOM 420 O ASN A 35 8.602 13.438 -3.357 1.00 0.00 O ATOM 421 CB ASN A 35 9.438 10.238 -3.567 1.00 0.00 C ATOM 422 CG ASN A 35 10.220 9.618 -2.494 1.00 0.00 C ATOM 423 OD1 ASN A 35 11.419 9.386 -2.611 1.00 0.00 O ATOM 424 ND2 ASN A 35 9.563 9.330 -1.446 1.00 0.00 N ATOM 0 H ASN A 35 7.150 9.344 -2.851 1.00 0.00 H new ATOM 0 HA ASN A 35 8.613 11.420 -1.992 1.00 0.00 H new ATOM 0 HB2 ASN A 35 9.015 9.465 -4.208 1.00 0.00 H new ATOM 0 HB3 ASN A 35 10.090 10.849 -4.192 1.00 0.00 H new ATOM 0 HD21 ASN A 35 10.032 8.887 -0.656 1.00 0.00 H new ATOM 0 HD22 ASN A 35 8.567 9.542 -1.394 1.00 0.00 H new ATOM 431 N PRO A 36 7.461 12.389 -4.979 1.00 0.00 N ATOM 432 CA PRO A 36 7.248 13.619 -5.756 1.00 0.00 C ATOM 433 C PRO A 36 6.320 14.624 -5.050 1.00 0.00 C ATOM 434 O PRO A 36 6.329 15.820 -5.357 1.00 0.00 O ATOM 435 CB PRO A 36 6.618 13.138 -7.067 1.00 0.00 C ATOM 436 CG PRO A 36 6.046 11.801 -6.758 1.00 0.00 C ATOM 437 CD PRO A 36 6.894 11.211 -5.672 1.00 0.00 C ATOM 0 HA PRO A 36 8.186 14.156 -5.898 1.00 0.00 H new ATOM 0 HB2 PRO A 36 5.846 13.827 -7.409 1.00 0.00 H new ATOM 0 HB3 PRO A 36 7.362 13.074 -7.861 1.00 0.00 H new ATOM 0 HG2 PRO A 36 5.009 11.889 -6.435 1.00 0.00 H new ATOM 0 HG3 PRO A 36 6.051 11.164 -7.642 1.00 0.00 H new ATOM 0 HD2 PRO A 36 6.303 10.596 -4.994 1.00 0.00 H new ATOM 0 HD3 PRO A 36 7.678 10.573 -6.080 1.00 0.00 H new ATOM 445 N TYR A 37 5.580 14.155 -4.082 1.00 0.00 N ATOM 446 CA TYR A 37 4.631 14.990 -3.381 1.00 0.00 C ATOM 447 C TYR A 37 5.295 15.721 -2.246 1.00 0.00 C ATOM 448 O TYR A 37 4.857 16.786 -1.851 1.00 0.00 O ATOM 449 CB TYR A 37 3.452 14.175 -2.861 1.00 0.00 C ATOM 450 CG TYR A 37 2.606 13.558 -3.941 1.00 0.00 C ATOM 451 CD1 TYR A 37 2.969 12.372 -4.527 1.00 0.00 C ATOM 452 CD2 TYR A 37 1.439 14.161 -4.363 1.00 0.00 C ATOM 453 CE1 TYR A 37 2.214 11.797 -5.511 1.00 0.00 C ATOM 454 CE2 TYR A 37 0.663 13.598 -5.345 1.00 0.00 C ATOM 455 CZ TYR A 37 1.056 12.413 -5.923 1.00 0.00 C ATOM 456 OH TYR A 37 0.300 11.854 -6.926 1.00 0.00 O ATOM 0 H TYR A 37 5.614 13.189 -3.755 1.00 0.00 H new ATOM 0 HA TYR A 37 4.252 15.722 -4.094 1.00 0.00 H new ATOM 0 HB2 TYR A 37 3.829 13.383 -2.213 1.00 0.00 H new ATOM 0 HB3 TYR A 37 2.823 14.818 -2.245 1.00 0.00 H new ATOM 0 HD1 TYR A 37 3.874 11.880 -4.203 1.00 0.00 H new ATOM 0 HD2 TYR A 37 1.131 15.093 -3.912 1.00 0.00 H new ATOM 0 HE1 TYR A 37 2.525 10.866 -5.961 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -0.249 14.082 -5.662 1.00 0.00 H new ATOM 0 HH TYR A 37 0.097 12.535 -7.601 1.00 0.00 H new ATOM 466 N ARG A 38 6.372 15.168 -1.732 1.00 0.00 N ATOM 467 CA ARG A 38 7.066 15.799 -0.606 1.00 0.00 C ATOM 468 C ARG A 38 8.056 16.837 -1.099 1.00 0.00 C ATOM 469 O ARG A 38 8.676 17.561 -0.311 1.00 0.00 O ATOM 470 CB ARG A 38 7.770 14.773 0.268 1.00 0.00 C ATOM 471 CG ARG A 38 8.940 14.086 -0.398 1.00 0.00 C ATOM 472 CD ARG A 38 9.624 13.142 0.561 1.00 0.00 C ATOM 473 NE ARG A 38 10.865 12.586 0.024 1.00 0.00 N ATOM 474 CZ ARG A 38 11.694 11.763 0.687 1.00 0.00 C ATOM 475 NH1 ARG A 38 11.436 11.405 1.942 1.00 0.00 N ATOM 476 NH2 ARG A 38 12.796 11.325 0.100 1.00 0.00 N ATOM 0 H ARG A 38 6.789 14.297 -2.062 1.00 0.00 H new ATOM 0 HA ARG A 38 6.311 16.294 0.004 1.00 0.00 H new ATOM 0 HB2 ARG A 38 8.121 15.265 1.175 1.00 0.00 H new ATOM 0 HB3 ARG A 38 7.047 14.017 0.575 1.00 0.00 H new ATOM 0 HG2 ARG A 38 8.594 13.535 -1.273 1.00 0.00 H new ATOM 0 HG3 ARG A 38 9.652 14.832 -0.752 1.00 0.00 H new ATOM 0 HD2 ARG A 38 9.840 13.670 1.490 1.00 0.00 H new ATOM 0 HD3 ARG A 38 8.944 12.327 0.808 1.00 0.00 H new ATOM 0 HE ARG A 38 11.121 12.843 -0.929 1.00 0.00 H new ATOM 0 HH11 ARG A 38 10.601 11.756 2.411 1.00 0.00 H new ATOM 0 HH12 ARG A 38 12.073 10.779 2.435 1.00 0.00 H new ATOM 0 HH21 ARG A 38 13.014 11.612 -0.854 1.00 0.00 H new ATOM 0 HH22 ARG A 38 13.427 10.700 0.601 1.00 0.00 H new ATOM 490 N LYS A 39 8.179 16.913 -2.390 1.00 0.00 N ATOM 491 CA LYS A 39 9.047 17.870 -3.028 1.00 0.00 C ATOM 492 C LYS A 39 8.423 19.254 -2.860 1.00 0.00 C ATOM 493 O LYS A 39 7.212 19.399 -2.992 1.00 0.00 O ATOM 494 CB LYS A 39 9.144 17.576 -4.526 1.00 0.00 C ATOM 495 CG LYS A 39 9.568 16.171 -4.893 1.00 0.00 C ATOM 496 CD LYS A 39 10.955 15.829 -4.414 1.00 0.00 C ATOM 497 CE LYS A 39 11.298 14.398 -4.807 1.00 0.00 C ATOM 498 NZ LYS A 39 12.674 14.009 -4.450 1.00 0.00 N ATOM 0 H LYS A 39 7.677 16.309 -3.041 1.00 0.00 H new ATOM 0 HA LYS A 39 10.040 17.818 -2.581 1.00 0.00 H new ATOM 0 HB2 LYS A 39 8.173 17.773 -4.980 1.00 0.00 H new ATOM 0 HB3 LYS A 39 9.851 18.277 -4.970 1.00 0.00 H new ATOM 0 HG2 LYS A 39 8.858 15.461 -4.469 1.00 0.00 H new ATOM 0 HG3 LYS A 39 9.525 16.056 -5.976 1.00 0.00 H new ATOM 0 HD2 LYS A 39 11.680 16.518 -4.847 1.00 0.00 H new ATOM 0 HD3 LYS A 39 11.014 15.943 -3.332 1.00 0.00 H new ATOM 0 HE2 LYS A 39 10.598 13.718 -4.322 1.00 0.00 H new ATOM 0 HE3 LYS A 39 11.162 14.281 -5.882 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 12.844 13.026 -4.744 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 13.348 14.636 -4.933 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 12.802 14.090 -3.421 1.00 0.00 H new ATOM 512 N PRO A 40 9.214 20.286 -2.564 1.00 0.00 N ATOM 513 CA PRO A 40 8.705 21.659 -2.424 1.00 0.00 C ATOM 514 C PRO A 40 8.116 22.206 -3.735 1.00 0.00 C ATOM 515 O PRO A 40 7.393 23.203 -3.736 1.00 0.00 O ATOM 516 CB PRO A 40 9.939 22.469 -2.011 1.00 0.00 C ATOM 517 CG PRO A 40 11.098 21.638 -2.438 1.00 0.00 C ATOM 518 CD PRO A 40 10.652 20.213 -2.294 1.00 0.00 C ATOM 0 HA PRO A 40 7.889 21.711 -1.703 1.00 0.00 H new ATOM 0 HB2 PRO A 40 9.952 23.445 -2.496 1.00 0.00 H new ATOM 0 HB3 PRO A 40 9.954 22.647 -0.936 1.00 0.00 H new ATOM 0 HG2 PRO A 40 11.379 21.858 -3.468 1.00 0.00 H new ATOM 0 HG3 PRO A 40 11.973 21.839 -1.819 1.00 0.00 H new ATOM 0 HD2 PRO A 40 11.162 19.558 -3.000 1.00 0.00 H new ATOM 0 HD3 PRO A 40 10.856 19.826 -1.296 1.00 0.00 H new ATOM 526 N ASP A 41 8.389 21.520 -4.840 1.00 0.00 N ATOM 527 CA ASP A 41 7.920 21.903 -6.134 1.00 0.00 C ATOM 528 C ASP A 41 6.565 21.271 -6.441 1.00 0.00 C ATOM 529 O ASP A 41 5.978 21.533 -7.505 1.00 0.00 O ATOM 530 CB ASP A 41 8.930 21.469 -7.200 1.00 0.00 C ATOM 531 CG ASP A 41 9.149 19.952 -7.293 1.00 0.00 C ATOM 532 OD1 ASP A 41 8.307 19.234 -7.892 1.00 0.00 O ATOM 533 OD2 ASP A 41 10.163 19.464 -6.773 1.00 0.00 O ATOM 0 H ASP A 41 8.953 20.670 -4.844 1.00 0.00 H new ATOM 0 HA ASP A 41 7.808 22.987 -6.143 1.00 0.00 H new ATOM 0 HB2 ASP A 41 8.594 21.835 -8.170 1.00 0.00 H new ATOM 0 HB3 ASP A 41 9.886 21.949 -6.992 1.00 0.00 H new ATOM 538 N CYS A 42 6.072 20.461 -5.510 1.00 0.00 N ATOM 539 CA CYS A 42 4.827 19.723 -5.698 1.00 0.00 C ATOM 540 C CYS A 42 3.657 20.670 -5.931 1.00 0.00 C ATOM 541 O CYS A 42 3.518 21.699 -5.242 1.00 0.00 O ATOM 542 CB CYS A 42 4.570 18.772 -4.534 1.00 0.00 C ATOM 543 SG CYS A 42 3.092 17.757 -4.682 1.00 0.00 S ATOM 0 H CYS A 42 6.521 20.298 -4.609 1.00 0.00 H new ATOM 0 HA CYS A 42 4.928 19.112 -6.595 1.00 0.00 H new ATOM 0 HB2 CYS A 42 5.433 18.115 -4.426 1.00 0.00 H new ATOM 0 HB3 CYS A 42 4.499 19.357 -3.617 1.00 0.00 H new ATOM 0 HG CYS A 42 2.049 18.457 -4.347 1.00 0.00 H new ATOM 549 N LYS A 43 2.860 20.345 -6.928 1.00 0.00 N ATOM 550 CA LYS A 43 1.752 21.176 -7.350 1.00 0.00 C ATOM 551 C LYS A 43 0.502 20.809 -6.594 1.00 0.00 C ATOM 552 O LYS A 43 -0.270 21.674 -6.182 1.00 0.00 O ATOM 553 CB LYS A 43 1.486 20.959 -8.838 1.00 0.00 C ATOM 554 CG LYS A 43 2.699 21.116 -9.729 1.00 0.00 C ATOM 555 CD LYS A 43 2.348 20.787 -11.163 1.00 0.00 C ATOM 556 CE LYS A 43 3.586 20.679 -12.039 1.00 0.00 C ATOM 557 NZ LYS A 43 4.457 19.535 -11.654 1.00 0.00 N ATOM 0 H LYS A 43 2.964 19.489 -7.473 1.00 0.00 H new ATOM 0 HA LYS A 43 2.011 22.216 -7.154 1.00 0.00 H new ATOM 0 HB2 LYS A 43 1.077 19.958 -8.977 1.00 0.00 H new ATOM 0 HB3 LYS A 43 0.721 21.664 -9.162 1.00 0.00 H new ATOM 0 HG2 LYS A 43 3.075 22.137 -9.665 1.00 0.00 H new ATOM 0 HG3 LYS A 43 3.498 20.460 -9.384 1.00 0.00 H new ATOM 0 HD2 LYS A 43 1.797 19.847 -11.195 1.00 0.00 H new ATOM 0 HD3 LYS A 43 1.688 21.557 -11.561 1.00 0.00 H new ATOM 0 HE2 LYS A 43 3.282 20.566 -13.080 1.00 0.00 H new ATOM 0 HE3 LYS A 43 4.157 21.605 -11.972 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 5.116 19.324 -12.430 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 4.996 19.781 -10.799 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 3.868 18.699 -11.463 1.00 0.00 H new ATOM 571 N VAL A 44 0.312 19.524 -6.413 1.00 0.00 N ATOM 572 CA VAL A 44 -0.900 19.002 -5.830 1.00 0.00 C ATOM 573 C VAL A 44 -0.555 17.962 -4.795 1.00 0.00 C ATOM 574 O VAL A 44 0.117 16.978 -5.103 1.00 0.00 O ATOM 575 CB VAL A 44 -1.837 18.361 -6.908 1.00 0.00 C ATOM 576 CG1 VAL A 44 -3.098 17.802 -6.276 1.00 0.00 C ATOM 577 CG2 VAL A 44 -2.208 19.367 -7.985 1.00 0.00 C ATOM 0 H VAL A 44 0.995 18.810 -6.666 1.00 0.00 H new ATOM 0 HA VAL A 44 -1.432 19.836 -5.371 1.00 0.00 H new ATOM 0 HB VAL A 44 -1.283 17.544 -7.369 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -3.729 17.364 -7.049 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -2.831 17.036 -5.548 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -3.641 18.604 -5.776 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -2.859 18.891 -8.718 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -2.728 20.211 -7.531 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -1.303 19.722 -8.479 1.00 0.00 H new ATOM 587 N GLY A 45 -1.030 18.177 -3.592 1.00 0.00 N ATOM 588 CA GLY A 45 -0.763 17.284 -2.505 1.00 0.00 C ATOM 589 C GLY A 45 0.676 17.387 -2.042 1.00 0.00 C ATOM 590 O GLY A 45 1.360 16.391 -1.906 1.00 0.00 O ATOM 0 H GLY A 45 -1.612 18.978 -3.345 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -1.431 17.511 -1.674 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -0.975 16.260 -2.813 1.00 0.00 H new ATOM 594 N ARG A 46 1.157 18.589 -1.822 1.00 0.00 N ATOM 595 CA ARG A 46 2.515 18.772 -1.383 1.00 0.00 C ATOM 596 C ARG A 46 2.649 18.440 0.089 1.00 0.00 C ATOM 597 O ARG A 46 2.008 19.053 0.940 1.00 0.00 O ATOM 598 CB ARG A 46 2.986 20.192 -1.678 1.00 0.00 C ATOM 599 CG ARG A 46 4.442 20.450 -1.336 1.00 0.00 C ATOM 600 CD ARG A 46 4.909 21.764 -1.926 1.00 0.00 C ATOM 601 NE ARG A 46 4.187 22.901 -1.381 1.00 0.00 N ATOM 602 CZ ARG A 46 3.691 23.927 -2.092 1.00 0.00 C ATOM 603 NH1 ARG A 46 3.735 23.910 -3.421 1.00 0.00 N ATOM 604 NH2 ARG A 46 3.118 24.942 -1.469 1.00 0.00 N ATOM 0 H ARG A 46 0.626 19.452 -1.941 1.00 0.00 H new ATOM 0 HA ARG A 46 3.156 18.086 -1.938 1.00 0.00 H new ATOM 0 HB2 ARG A 46 2.831 20.401 -2.736 1.00 0.00 H new ATOM 0 HB3 ARG A 46 2.364 20.892 -1.120 1.00 0.00 H new ATOM 0 HG2 ARG A 46 4.568 20.467 -0.253 1.00 0.00 H new ATOM 0 HG3 ARG A 46 5.059 19.636 -1.716 1.00 0.00 H new ATOM 0 HD2 ARG A 46 5.975 21.887 -1.734 1.00 0.00 H new ATOM 0 HD3 ARG A 46 4.781 21.740 -3.008 1.00 0.00 H new ATOM 0 HE ARG A 46 4.044 22.922 -0.371 1.00 0.00 H new ATOM 0 HH11 ARG A 46 4.147 23.114 -3.907 1.00 0.00 H new ATOM 0 HH12 ARG A 46 3.356 24.693 -3.954 1.00 0.00 H new ATOM 0 HH21 ARG A 46 3.053 24.945 -0.451 1.00 0.00 H new ATOM 0 HH22 ARG A 46 2.740 25.723 -2.006 1.00 0.00 H new ATOM 618 N ILE A 47 3.449 17.459 0.374 1.00 0.00 N ATOM 619 CA ILE A 47 3.668 17.019 1.721 1.00 0.00 C ATOM 620 C ILE A 47 4.616 17.960 2.431 1.00 0.00 C ATOM 621 O ILE A 47 5.762 18.156 2.011 1.00 0.00 O ATOM 622 CB ILE A 47 4.187 15.563 1.781 1.00 0.00 C ATOM 623 CG1 ILE A 47 3.214 14.639 1.023 1.00 0.00 C ATOM 624 CG2 ILE A 47 4.358 15.131 3.220 1.00 0.00 C ATOM 625 CD1 ILE A 47 3.633 13.193 0.955 1.00 0.00 C ATOM 0 H ILE A 47 3.974 16.935 -0.327 1.00 0.00 H new ATOM 0 HA ILE A 47 2.706 17.034 2.233 1.00 0.00 H new ATOM 0 HB ILE A 47 5.163 15.499 1.300 1.00 0.00 H new ATOM 0 HG12 ILE A 47 2.236 14.696 1.500 1.00 0.00 H new ATOM 0 HG13 ILE A 47 3.096 15.016 0.007 1.00 0.00 H new ATOM 0 HG21 ILE A 47 4.724 14.105 3.251 1.00 0.00 H new ATOM 0 HG22 ILE A 47 5.075 15.787 3.714 1.00 0.00 H new ATOM 0 HG23 ILE A 47 3.399 15.190 3.734 1.00 0.00 H new ATOM 0 HD11 ILE A 47 2.886 12.623 0.403 1.00 0.00 H new ATOM 0 HD12 ILE A 47 4.595 13.116 0.448 1.00 0.00 H new ATOM 0 HD13 ILE A 47 3.722 12.792 1.965 1.00 0.00 H new ATOM 637 N THR A 48 4.110 18.547 3.470 1.00 0.00 N ATOM 638 CA THR A 48 4.801 19.509 4.292 1.00 0.00 C ATOM 639 C THR A 48 6.043 18.959 4.968 1.00 0.00 C ATOM 640 O THR A 48 7.153 19.467 4.772 1.00 0.00 O ATOM 641 CB THR A 48 3.838 19.979 5.376 1.00 0.00 C ATOM 642 OG1 THR A 48 3.159 18.829 5.905 1.00 0.00 O ATOM 643 CG2 THR A 48 2.827 20.875 4.800 1.00 0.00 C ATOM 0 H THR A 48 3.159 18.364 3.789 1.00 0.00 H new ATOM 0 HA THR A 48 5.128 20.316 3.636 1.00 0.00 H new ATOM 0 HB THR A 48 4.396 20.505 6.151 1.00 0.00 H new ATOM 0 HG1 THR A 48 3.480 18.649 6.813 1.00 0.00 H new ATOM 0 HG21 THR A 48 2.144 21.205 5.583 1.00 0.00 H new ATOM 0 HG22 THR A 48 3.318 21.742 4.358 1.00 0.00 H new ATOM 0 HG23 THR A 48 2.267 20.344 4.030 1.00 0.00 H new ATOM 651 N THR A 49 5.861 17.917 5.719 1.00 0.00 N ATOM 652 CA THR A 49 6.907 17.444 6.571 1.00 0.00 C ATOM 653 C THR A 49 7.090 15.952 6.385 1.00 0.00 C ATOM 654 O THR A 49 6.184 15.266 5.920 1.00 0.00 O ATOM 655 CB THR A 49 6.519 17.727 8.047 1.00 0.00 C ATOM 656 OG1 THR A 49 5.891 19.018 8.134 1.00 0.00 O ATOM 657 CG2 THR A 49 7.743 17.736 8.947 1.00 0.00 C ATOM 0 H THR A 49 4.996 17.377 5.759 1.00 0.00 H new ATOM 0 HA THR A 49 7.837 17.954 6.320 1.00 0.00 H new ATOM 0 HB THR A 49 5.842 16.938 8.373 1.00 0.00 H new ATOM 0 HG1 THR A 49 4.931 18.905 8.295 1.00 0.00 H new ATOM 0 HG21 THR A 49 7.438 17.937 9.974 1.00 0.00 H new ATOM 0 HG22 THR A 49 8.237 16.766 8.898 1.00 0.00 H new ATOM 0 HG23 THR A 49 8.433 18.512 8.615 1.00 0.00 H new ATOM 665 N THR A 50 8.249 15.465 6.748 1.00 0.00 N ATOM 666 CA THR A 50 8.555 14.063 6.724 1.00 0.00 C ATOM 667 C THR A 50 7.584 13.285 7.601 1.00 0.00 C ATOM 668 O THR A 50 7.148 12.219 7.239 1.00 0.00 O ATOM 669 CB THR A 50 10.006 13.849 7.217 1.00 0.00 C ATOM 670 OG1 THR A 50 10.401 12.474 7.123 1.00 0.00 O ATOM 671 CG2 THR A 50 10.219 14.353 8.636 1.00 0.00 C ATOM 0 H THR A 50 9.020 16.047 7.075 1.00 0.00 H new ATOM 0 HA THR A 50 8.458 13.696 5.702 1.00 0.00 H new ATOM 0 HB THR A 50 10.637 14.440 6.554 1.00 0.00 H new ATOM 0 HG1 THR A 50 11.323 12.376 7.441 1.00 0.00 H new ATOM 0 HG21 THR A 50 11.253 14.179 8.933 1.00 0.00 H new ATOM 0 HG22 THR A 50 10.004 15.421 8.679 1.00 0.00 H new ATOM 0 HG23 THR A 50 9.552 13.821 9.315 1.00 0.00 H new ATOM 679 N GLU A 51 7.232 13.868 8.743 1.00 0.00 N ATOM 680 CA GLU A 51 6.288 13.276 9.689 1.00 0.00 C ATOM 681 C GLU A 51 4.956 13.055 8.989 1.00 0.00 C ATOM 682 O GLU A 51 4.319 12.008 9.137 1.00 0.00 O ATOM 683 CB GLU A 51 6.123 14.194 10.898 1.00 0.00 C ATOM 684 CG GLU A 51 7.439 14.547 11.578 1.00 0.00 C ATOM 685 CD GLU A 51 7.280 15.548 12.693 1.00 0.00 C ATOM 686 OE1 GLU A 51 7.013 15.149 13.831 1.00 0.00 O ATOM 687 OE2 GLU A 51 7.437 16.755 12.453 1.00 0.00 O ATOM 0 H GLU A 51 7.596 14.773 9.042 1.00 0.00 H new ATOM 0 HA GLU A 51 6.665 12.316 10.041 1.00 0.00 H new ATOM 0 HB2 GLU A 51 5.629 15.113 10.582 1.00 0.00 H new ATOM 0 HB3 GLU A 51 5.467 13.712 11.623 1.00 0.00 H new ATOM 0 HG2 GLU A 51 7.890 13.638 11.976 1.00 0.00 H new ATOM 0 HG3 GLU A 51 8.129 14.947 10.835 1.00 0.00 H new ATOM 694 N ASP A 52 4.600 13.998 8.161 1.00 0.00 N ATOM 695 CA ASP A 52 3.366 13.967 7.405 1.00 0.00 C ATOM 696 C ASP A 52 3.460 12.957 6.316 1.00 0.00 C ATOM 697 O ASP A 52 2.526 12.189 6.078 1.00 0.00 O ATOM 698 CB ASP A 52 3.101 15.345 6.803 1.00 0.00 C ATOM 699 CG ASP A 52 2.638 16.346 7.802 1.00 0.00 C ATOM 700 OD1 ASP A 52 3.485 17.029 8.405 1.00 0.00 O ATOM 701 OD2 ASP A 52 1.408 16.487 8.002 1.00 0.00 O ATOM 0 H ASP A 52 5.166 14.828 7.985 1.00 0.00 H new ATOM 0 HA ASP A 52 2.547 13.696 8.071 1.00 0.00 H new ATOM 0 HB2 ASP A 52 4.014 15.709 6.331 1.00 0.00 H new ATOM 0 HB3 ASP A 52 2.351 15.252 6.018 1.00 0.00 H new ATOM 706 N PHE A 53 4.602 12.945 5.685 1.00 0.00 N ATOM 707 CA PHE A 53 4.917 12.021 4.634 1.00 0.00 C ATOM 708 C PHE A 53 4.772 10.579 5.152 1.00 0.00 C ATOM 709 O PHE A 53 4.063 9.763 4.568 1.00 0.00 O ATOM 710 CB PHE A 53 6.349 12.277 4.137 1.00 0.00 C ATOM 711 CG PHE A 53 6.839 11.293 3.131 1.00 0.00 C ATOM 712 CD1 PHE A 53 7.458 10.124 3.530 1.00 0.00 C ATOM 713 CD2 PHE A 53 6.678 11.529 1.796 1.00 0.00 C ATOM 714 CE1 PHE A 53 7.895 9.219 2.609 1.00 0.00 C ATOM 715 CE2 PHE A 53 7.117 10.630 0.870 1.00 0.00 C ATOM 716 CZ PHE A 53 7.723 9.474 1.272 1.00 0.00 C ATOM 0 H PHE A 53 5.359 13.596 5.895 1.00 0.00 H new ATOM 0 HA PHE A 53 4.228 12.162 3.802 1.00 0.00 H new ATOM 0 HB2 PHE A 53 6.396 13.276 3.703 1.00 0.00 H new ATOM 0 HB3 PHE A 53 7.024 12.269 4.993 1.00 0.00 H new ATOM 0 HD1 PHE A 53 7.597 9.925 4.582 1.00 0.00 H new ATOM 0 HD2 PHE A 53 6.197 12.439 1.469 1.00 0.00 H new ATOM 0 HE1 PHE A 53 8.374 8.306 2.930 1.00 0.00 H new ATOM 0 HE2 PHE A 53 6.985 10.832 -0.183 1.00 0.00 H new ATOM 0 HZ PHE A 53 8.067 8.761 0.538 1.00 0.00 H new ATOM 726 N LYS A 54 5.426 10.315 6.258 1.00 0.00 N ATOM 727 CA LYS A 54 5.436 9.021 6.895 1.00 0.00 C ATOM 728 C LYS A 54 4.052 8.617 7.325 1.00 0.00 C ATOM 729 O LYS A 54 3.627 7.487 7.074 1.00 0.00 O ATOM 730 CB LYS A 54 6.384 9.060 8.098 1.00 0.00 C ATOM 731 CG LYS A 54 7.840 9.264 7.684 1.00 0.00 C ATOM 732 CD LYS A 54 8.755 9.517 8.869 1.00 0.00 C ATOM 733 CE LYS A 54 8.835 8.329 9.809 1.00 0.00 C ATOM 734 NZ LYS A 54 9.735 8.606 10.940 1.00 0.00 N ATOM 0 H LYS A 54 5.981 11.014 6.753 1.00 0.00 H new ATOM 0 HA LYS A 54 5.786 8.277 6.179 1.00 0.00 H new ATOM 0 HB2 LYS A 54 6.083 9.865 8.768 1.00 0.00 H new ATOM 0 HB3 LYS A 54 6.295 8.129 8.658 1.00 0.00 H new ATOM 0 HG2 LYS A 54 8.187 8.383 7.144 1.00 0.00 H new ATOM 0 HG3 LYS A 54 7.903 10.106 6.995 1.00 0.00 H new ATOM 0 HD2 LYS A 54 9.755 9.757 8.507 1.00 0.00 H new ATOM 0 HD3 LYS A 54 8.398 10.388 9.419 1.00 0.00 H new ATOM 0 HE2 LYS A 54 7.839 8.090 10.183 1.00 0.00 H new ATOM 0 HE3 LYS A 54 9.190 7.454 9.264 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 9.771 7.777 11.567 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 10.690 8.811 10.582 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 9.382 9.427 11.472 1.00 0.00 H new ATOM 748 N HIS A 55 3.313 9.566 7.891 1.00 0.00 N ATOM 749 CA HIS A 55 1.960 9.309 8.378 1.00 0.00 C ATOM 750 C HIS A 55 1.060 8.910 7.226 1.00 0.00 C ATOM 751 O HIS A 55 0.329 7.919 7.308 1.00 0.00 O ATOM 752 CB HIS A 55 1.386 10.555 9.077 1.00 0.00 C ATOM 753 CG HIS A 55 -0.018 10.380 9.618 1.00 0.00 C ATOM 754 ND1 HIS A 55 -0.292 9.782 10.829 1.00 0.00 N ATOM 755 CD2 HIS A 55 -1.228 10.707 9.082 1.00 0.00 C ATOM 756 CE1 HIS A 55 -1.591 9.738 11.020 1.00 0.00 C ATOM 757 NE2 HIS A 55 -2.189 10.293 9.976 1.00 0.00 N ATOM 0 H HIS A 55 3.630 10.526 8.025 1.00 0.00 H new ATOM 0 HA HIS A 55 2.006 8.494 9.100 1.00 0.00 H new ATOM 0 HB2 HIS A 55 2.047 10.832 9.899 1.00 0.00 H new ATOM 0 HB3 HIS A 55 1.389 11.386 8.371 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -1.400 11.198 8.135 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -2.088 9.320 11.883 1.00 0.00 H new ATOM 0 HE2 HIS A 55 -3.196 10.396 9.855 1.00 0.00 H new ATOM 765 N LEU A 56 1.118 9.660 6.173 1.00 0.00 N ATOM 766 CA LEU A 56 0.286 9.396 5.047 1.00 0.00 C ATOM 767 C LEU A 56 0.700 8.156 4.332 1.00 0.00 C ATOM 768 O LEU A 56 -0.155 7.400 3.902 1.00 0.00 O ATOM 769 CB LEU A 56 0.277 10.521 4.078 1.00 0.00 C ATOM 770 CG LEU A 56 -0.906 10.488 3.134 1.00 0.00 C ATOM 771 CD1 LEU A 56 -2.231 10.702 3.870 1.00 0.00 C ATOM 772 CD2 LEU A 56 -0.705 11.462 2.027 1.00 0.00 C ATOM 0 H LEU A 56 1.737 10.464 6.070 1.00 0.00 H new ATOM 0 HA LEU A 56 -0.719 9.266 5.449 1.00 0.00 H new ATOM 0 HB2 LEU A 56 0.270 11.463 4.626 1.00 0.00 H new ATOM 0 HB3 LEU A 56 1.198 10.498 3.496 1.00 0.00 H new ATOM 0 HG LEU A 56 -0.968 9.493 2.694 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -3.053 10.671 3.155 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -2.366 9.916 4.613 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -2.219 11.672 4.367 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -1.562 11.430 1.354 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -0.605 12.466 2.439 1.00 0.00 H new ATOM 0 HD23 LEU A 56 0.199 11.205 1.476 1.00 0.00 H new ATOM 784 N ALA A 57 2.006 7.919 4.217 1.00 0.00 N ATOM 785 CA ALA A 57 2.501 6.676 3.591 1.00 0.00 C ATOM 786 C ALA A 57 1.901 5.486 4.325 1.00 0.00 C ATOM 787 O ALA A 57 1.403 4.530 3.704 1.00 0.00 O ATOM 788 CB ALA A 57 4.019 6.604 3.579 1.00 0.00 C ATOM 0 H ALA A 57 2.736 8.554 4.540 1.00 0.00 H new ATOM 0 HA ALA A 57 2.188 6.662 2.547 1.00 0.00 H new ATOM 0 HB1 ALA A 57 4.335 5.673 3.109 1.00 0.00 H new ATOM 0 HB2 ALA A 57 4.419 7.448 3.017 1.00 0.00 H new ATOM 0 HB3 ALA A 57 4.393 6.639 4.602 1.00 0.00 H new ATOM 794 N ARG A 58 1.848 5.612 5.640 1.00 0.00 N ATOM 795 CA ARG A 58 1.270 4.579 6.480 1.00 0.00 C ATOM 796 C ARG A 58 -0.201 4.458 6.225 1.00 0.00 C ATOM 797 O ARG A 58 -0.728 3.348 6.054 1.00 0.00 O ATOM 798 CB ARG A 58 1.486 4.867 7.973 1.00 0.00 C ATOM 799 CG ARG A 58 2.926 4.901 8.395 1.00 0.00 C ATOM 800 CD ARG A 58 3.608 3.677 7.904 1.00 0.00 C ATOM 801 NE ARG A 58 5.005 3.585 8.329 1.00 0.00 N ATOM 802 CZ ARG A 58 5.529 2.556 9.003 1.00 0.00 C ATOM 803 NH1 ARG A 58 4.727 1.658 9.592 1.00 0.00 N ATOM 804 NH2 ARG A 58 6.836 2.471 9.160 1.00 0.00 N ATOM 0 H ARG A 58 2.200 6.423 6.150 1.00 0.00 H new ATOM 0 HA ARG A 58 1.775 3.647 6.226 1.00 0.00 H new ATOM 0 HB2 ARG A 58 1.026 5.825 8.216 1.00 0.00 H new ATOM 0 HB3 ARG A 58 0.967 4.107 8.556 1.00 0.00 H new ATOM 0 HG2 ARG A 58 3.414 5.789 7.994 1.00 0.00 H new ATOM 0 HG3 ARG A 58 2.998 4.961 9.481 1.00 0.00 H new ATOM 0 HD2 ARG A 58 3.068 2.800 8.261 1.00 0.00 H new ATOM 0 HD3 ARG A 58 3.564 3.657 6.815 1.00 0.00 H new ATOM 0 HE ARG A 58 5.623 4.361 8.094 1.00 0.00 H new ATOM 0 HH11 ARG A 58 3.714 1.759 9.527 1.00 0.00 H new ATOM 0 HH12 ARG A 58 5.130 0.874 10.105 1.00 0.00 H new ATOM 0 HH21 ARG A 58 7.445 3.189 8.768 1.00 0.00 H new ATOM 0 HH22 ARG A 58 7.238 1.687 9.674 1.00 0.00 H new ATOM 818 N LYS A 59 -0.839 5.586 6.123 1.00 0.00 N ATOM 819 CA LYS A 59 -2.269 5.630 6.054 1.00 0.00 C ATOM 820 C LYS A 59 -2.766 5.083 4.714 1.00 0.00 C ATOM 821 O LYS A 59 -3.733 4.336 4.652 1.00 0.00 O ATOM 822 CB LYS A 59 -2.743 7.064 6.315 1.00 0.00 C ATOM 823 CG LYS A 59 -4.222 7.211 6.599 1.00 0.00 C ATOM 824 CD LYS A 59 -4.526 8.602 7.129 1.00 0.00 C ATOM 825 CE LYS A 59 -5.948 8.695 7.634 1.00 0.00 C ATOM 826 NZ LYS A 59 -6.209 9.968 8.342 1.00 0.00 N ATOM 0 H LYS A 59 -0.385 6.498 6.085 1.00 0.00 H new ATOM 0 HA LYS A 59 -2.696 4.988 6.825 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -2.185 7.466 7.161 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -2.493 7.676 5.448 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -4.793 7.029 5.688 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -4.535 6.462 7.326 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -3.834 8.846 7.935 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -4.369 9.337 6.340 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -6.637 8.601 6.794 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -6.148 7.860 8.306 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -7.134 9.919 8.814 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -5.466 10.129 9.052 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -6.211 10.752 7.658 1.00 0.00 H new ATOM 840 N LEU A 60 -2.073 5.428 3.656 1.00 0.00 N ATOM 841 CA LEU A 60 -2.419 4.970 2.320 1.00 0.00 C ATOM 842 C LEU A 60 -2.162 3.505 2.172 1.00 0.00 C ATOM 843 O LEU A 60 -2.970 2.788 1.576 1.00 0.00 O ATOM 844 CB LEU A 60 -1.652 5.777 1.315 1.00 0.00 C ATOM 845 CG LEU A 60 -1.985 7.234 1.413 1.00 0.00 C ATOM 846 CD1 LEU A 60 -0.938 8.097 0.755 1.00 0.00 C ATOM 847 CD2 LEU A 60 -3.335 7.478 0.813 1.00 0.00 C ATOM 0 H LEU A 60 -1.253 6.033 3.690 1.00 0.00 H new ATOM 0 HA LEU A 60 -3.485 5.117 2.147 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -0.583 5.636 1.473 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -1.876 5.418 0.311 1.00 0.00 H new ATOM 0 HG LEU A 60 -2.003 7.511 2.467 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -1.219 9.146 0.849 1.00 0.00 H new ATOM 0 HD12 LEU A 60 0.025 7.934 1.240 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -0.862 7.835 -0.300 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -3.578 8.538 0.884 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -3.327 7.177 -0.234 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -4.083 6.897 1.352 1.00 0.00 H new ATOM 859 N THR A 61 -1.037 3.059 2.731 1.00 0.00 N ATOM 860 CA THR A 61 -0.715 1.642 2.753 1.00 0.00 C ATOM 861 C THR A 61 -1.825 0.894 3.426 1.00 0.00 C ATOM 862 O THR A 61 -2.299 -0.130 2.943 1.00 0.00 O ATOM 863 CB THR A 61 0.605 1.388 3.527 1.00 0.00 C ATOM 864 OG1 THR A 61 1.681 2.050 2.864 1.00 0.00 O ATOM 865 CG2 THR A 61 0.911 -0.104 3.630 1.00 0.00 C ATOM 0 H THR A 61 -0.340 3.659 3.171 1.00 0.00 H new ATOM 0 HA THR A 61 -0.592 1.299 1.726 1.00 0.00 H new ATOM 0 HB THR A 61 0.488 1.782 4.537 1.00 0.00 H new ATOM 0 HG1 THR A 61 1.851 2.913 3.297 1.00 0.00 H new ATOM 0 HG21 THR A 61 1.842 -0.247 4.178 1.00 0.00 H new ATOM 0 HG22 THR A 61 0.099 -0.606 4.156 1.00 0.00 H new ATOM 0 HG23 THR A 61 1.010 -0.525 2.629 1.00 0.00 H new ATOM 873 N HIS A 62 -2.293 1.476 4.488 1.00 0.00 N ATOM 874 CA HIS A 62 -3.289 0.852 5.306 1.00 0.00 C ATOM 875 C HIS A 62 -4.658 0.852 4.584 1.00 0.00 C ATOM 876 O HIS A 62 -5.409 -0.109 4.689 1.00 0.00 O ATOM 877 CB HIS A 62 -3.336 1.550 6.672 1.00 0.00 C ATOM 878 CG HIS A 62 -4.057 0.825 7.763 1.00 0.00 C ATOM 879 ND1 HIS A 62 -3.401 0.102 8.732 1.00 0.00 N ATOM 880 CD2 HIS A 62 -5.358 0.748 8.067 1.00 0.00 C ATOM 881 CE1 HIS A 62 -4.264 -0.393 9.582 1.00 0.00 C ATOM 882 NE2 HIS A 62 -5.473 -0.018 9.207 1.00 0.00 N ATOM 0 H HIS A 62 -1.996 2.396 4.812 1.00 0.00 H new ATOM 0 HA HIS A 62 -3.031 -0.193 5.479 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -2.312 1.730 7.000 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -3.805 2.525 6.542 1.00 0.00 H new ATOM 0 HD2 HIS A 62 -6.170 1.203 7.519 1.00 0.00 H new ATOM 0 HE1 HIS A 62 -4.028 -1.003 10.442 1.00 0.00 H new ATOM 0 HE2 HIS A 62 -6.345 -0.255 9.681 1.00 0.00 H new ATOM 890 N GLY A 63 -4.944 1.896 3.827 1.00 0.00 N ATOM 891 CA GLY A 63 -6.209 1.979 3.113 1.00 0.00 C ATOM 892 C GLY A 63 -6.297 1.034 1.926 1.00 0.00 C ATOM 893 O GLY A 63 -7.339 0.418 1.711 1.00 0.00 O ATOM 0 H GLY A 63 -4.324 2.694 3.690 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -7.023 1.759 3.804 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -6.355 3.002 2.765 1.00 0.00 H new ATOM 897 N VAL A 64 -5.202 0.885 1.165 1.00 0.00 N ATOM 898 CA VAL A 64 -5.180 -0.061 0.014 1.00 0.00 C ATOM 899 C VAL A 64 -5.362 -1.459 0.557 1.00 0.00 C ATOM 900 O VAL A 64 -6.150 -2.255 0.044 1.00 0.00 O ATOM 901 CB VAL A 64 -3.837 0.001 -0.786 1.00 0.00 C ATOM 902 CG1 VAL A 64 -3.784 -1.080 -1.883 1.00 0.00 C ATOM 903 CG2 VAL A 64 -3.653 1.379 -1.404 1.00 0.00 C ATOM 0 H VAL A 64 -4.330 1.393 1.313 1.00 0.00 H new ATOM 0 HA VAL A 64 -5.980 0.216 -0.672 1.00 0.00 H new ATOM 0 HB VAL A 64 -3.024 -0.189 -0.085 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -2.838 -1.008 -2.419 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -3.869 -2.066 -1.426 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -4.608 -0.931 -2.580 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -2.714 1.407 -1.957 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -4.481 1.587 -2.082 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -3.632 2.131 -0.616 1.00 0.00 H new ATOM 913 N MET A 65 -4.724 -1.655 1.683 1.00 0.00 N ATOM 914 CA MET A 65 -4.708 -2.901 2.402 1.00 0.00 C ATOM 915 C MET A 65 -6.125 -3.256 2.828 1.00 0.00 C ATOM 916 O MET A 65 -6.611 -4.319 2.530 1.00 0.00 O ATOM 917 CB MET A 65 -3.787 -2.754 3.593 1.00 0.00 C ATOM 918 CG MET A 65 -3.687 -3.921 4.503 1.00 0.00 C ATOM 919 SD MET A 65 -2.485 -3.568 5.790 1.00 0.00 S ATOM 920 CE MET A 65 -2.706 -4.998 6.775 1.00 0.00 C ATOM 0 H MET A 65 -4.181 -0.922 2.140 1.00 0.00 H new ATOM 0 HA MET A 65 -4.338 -3.710 1.773 1.00 0.00 H new ATOM 0 HB2 MET A 65 -2.788 -2.523 3.224 1.00 0.00 H new ATOM 0 HB3 MET A 65 -4.118 -1.895 4.176 1.00 0.00 H new ATOM 0 HG2 MET A 65 -4.659 -4.135 4.946 1.00 0.00 H new ATOM 0 HG3 MET A 65 -3.389 -4.808 3.944 1.00 0.00 H new ATOM 0 HE1 MET A 65 -2.035 -4.956 7.633 1.00 0.00 H new ATOM 0 HE2 MET A 65 -3.738 -5.044 7.124 1.00 0.00 H new ATOM 0 HE3 MET A 65 -2.483 -5.886 6.183 1.00 0.00 H new ATOM 930 N ASN A 66 -6.794 -2.314 3.453 1.00 0.00 N ATOM 931 CA ASN A 66 -8.174 -2.470 3.897 1.00 0.00 C ATOM 932 C ASN A 66 -9.121 -2.725 2.744 1.00 0.00 C ATOM 933 O ASN A 66 -10.002 -3.591 2.834 1.00 0.00 O ATOM 934 CB ASN A 66 -8.613 -1.249 4.664 1.00 0.00 C ATOM 935 CG ASN A 66 -8.125 -1.228 6.067 1.00 0.00 C ATOM 936 OD1 ASN A 66 -7.973 -2.262 6.709 1.00 0.00 O ATOM 937 ND2 ASN A 66 -7.868 -0.078 6.558 1.00 0.00 N ATOM 0 H ASN A 66 -6.395 -1.402 3.674 1.00 0.00 H new ATOM 0 HA ASN A 66 -8.209 -3.344 4.548 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -8.255 -0.357 4.149 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -9.702 -1.201 4.665 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -7.524 0.003 7.515 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -8.007 0.760 5.994 1.00 0.00 H new ATOM 944 N LYS A 67 -8.951 -1.991 1.675 1.00 0.00 N ATOM 945 CA LYS A 67 -9.786 -2.151 0.516 1.00 0.00 C ATOM 946 C LYS A 67 -9.640 -3.522 -0.083 1.00 0.00 C ATOM 947 O LYS A 67 -10.635 -4.203 -0.346 1.00 0.00 O ATOM 948 CB LYS A 67 -9.561 -1.073 -0.532 1.00 0.00 C ATOM 949 CG LYS A 67 -10.488 0.139 -0.442 1.00 0.00 C ATOM 950 CD LYS A 67 -10.362 0.911 0.857 1.00 0.00 C ATOM 951 CE LYS A 67 -11.239 2.155 0.829 1.00 0.00 C ATOM 952 NZ LYS A 67 -10.885 3.061 -0.293 1.00 0.00 N ATOM 0 H LYS A 67 -8.235 -1.271 1.584 1.00 0.00 H new ATOM 0 HA LYS A 67 -10.812 -2.037 0.866 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -8.530 -0.726 -0.455 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -9.674 -1.522 -1.519 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -10.275 0.810 -1.274 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -11.519 -0.195 -0.557 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -10.651 0.275 1.694 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -9.322 1.196 1.017 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -12.284 1.859 0.740 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -11.138 2.691 1.773 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -11.259 4.012 -0.102 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -9.850 3.108 -0.388 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -11.297 2.698 -1.176 1.00 0.00 H new ATOM 966 N GLU A 68 -8.441 -3.983 -0.239 1.00 0.00 N ATOM 967 CA GLU A 68 -8.303 -5.249 -0.792 1.00 0.00 C ATOM 968 C GLU A 68 -8.666 -6.320 0.177 1.00 0.00 C ATOM 969 O GLU A 68 -9.317 -7.228 -0.187 1.00 0.00 O ATOM 970 CB GLU A 68 -7.024 -5.442 -1.519 1.00 0.00 C ATOM 971 CG GLU A 68 -5.755 -5.225 -0.759 1.00 0.00 C ATOM 972 CD GLU A 68 -4.617 -5.317 -1.712 1.00 0.00 C ATOM 973 OE1 GLU A 68 -4.478 -4.382 -2.527 1.00 0.00 O ATOM 974 OE2 GLU A 68 -3.931 -6.361 -1.749 1.00 0.00 O ATOM 0 H GLU A 68 -7.577 -3.501 0.008 1.00 0.00 H new ATOM 0 HA GLU A 68 -9.042 -5.338 -1.588 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -7.011 -6.459 -1.911 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -7.021 -4.770 -2.377 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -5.766 -4.249 -0.274 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -5.652 -5.972 0.028 1.00 0.00 H new ATOM 981 N LEU A 69 -8.338 -6.166 1.431 1.00 0.00 N ATOM 982 CA LEU A 69 -8.811 -7.111 2.457 1.00 0.00 C ATOM 983 C LEU A 69 -10.330 -7.231 2.447 1.00 0.00 C ATOM 984 O LEU A 69 -10.870 -8.302 2.712 1.00 0.00 O ATOM 985 CB LEU A 69 -8.350 -6.704 3.862 1.00 0.00 C ATOM 986 CG LEU A 69 -7.049 -7.299 4.401 1.00 0.00 C ATOM 987 CD1 LEU A 69 -7.226 -8.771 4.732 1.00 0.00 C ATOM 988 CD2 LEU A 69 -5.936 -7.146 3.418 1.00 0.00 C ATOM 0 H LEU A 69 -7.752 -5.409 1.784 1.00 0.00 H new ATOM 0 HA LEU A 69 -8.373 -8.078 2.208 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -8.250 -5.619 3.877 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -9.147 -6.961 4.560 1.00 0.00 H new ATOM 0 HG LEU A 69 -6.795 -6.752 5.309 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -6.288 -9.173 5.114 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -8.003 -8.883 5.488 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -7.514 -9.314 3.832 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -5.024 -7.579 3.830 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -6.195 -7.660 2.492 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -5.775 -6.088 3.213 1.00 0.00 H new ATOM 1000 N LYS A 70 -11.025 -6.164 2.103 1.00 0.00 N ATOM 1001 CA LYS A 70 -12.464 -6.216 2.091 1.00 0.00 C ATOM 1002 C LYS A 70 -13.018 -6.743 0.755 1.00 0.00 C ATOM 1003 O LYS A 70 -14.147 -7.241 0.703 1.00 0.00 O ATOM 1004 CB LYS A 70 -13.078 -4.860 2.491 1.00 0.00 C ATOM 1005 CG LYS A 70 -12.911 -3.783 1.480 1.00 0.00 C ATOM 1006 CD LYS A 70 -13.601 -2.469 1.829 1.00 0.00 C ATOM 1007 CE LYS A 70 -13.003 -1.738 3.033 1.00 0.00 C ATOM 1008 NZ LYS A 70 -13.376 -2.318 4.344 1.00 0.00 N ATOM 0 H LYS A 70 -10.620 -5.267 1.833 1.00 0.00 H new ATOM 0 HA LYS A 70 -12.768 -6.939 2.848 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -14.142 -5.000 2.681 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -12.627 -4.534 3.428 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -11.846 -3.593 1.343 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -13.297 -4.138 0.524 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -13.559 -1.810 0.962 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -14.654 -2.668 2.027 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -11.917 -1.742 2.943 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -13.322 -0.696 3.006 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -13.660 -1.556 4.993 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -14.169 -2.979 4.218 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -12.561 -2.827 4.743 1.00 0.00 H new ATOM 1022 N TYR A 71 -12.240 -6.636 -0.323 1.00 0.00 N ATOM 1023 CA TYR A 71 -12.687 -7.147 -1.645 1.00 0.00 C ATOM 1024 C TYR A 71 -12.116 -8.543 -1.938 1.00 0.00 C ATOM 1025 O TYR A 71 -12.766 -9.381 -2.566 1.00 0.00 O ATOM 1026 CB TYR A 71 -12.314 -6.161 -2.781 1.00 0.00 C ATOM 1027 CG TYR A 71 -12.804 -4.743 -2.534 1.00 0.00 C ATOM 1028 CD1 TYR A 71 -13.907 -4.507 -1.736 1.00 0.00 C ATOM 1029 CD2 TYR A 71 -12.128 -3.646 -3.049 1.00 0.00 C ATOM 1030 CE1 TYR A 71 -14.330 -3.249 -1.457 1.00 0.00 C ATOM 1031 CE2 TYR A 71 -12.546 -2.360 -2.766 1.00 0.00 C ATOM 1032 CZ TYR A 71 -13.650 -2.168 -1.966 1.00 0.00 C ATOM 1033 OH TYR A 71 -14.068 -0.890 -1.662 1.00 0.00 O ATOM 0 H TYR A 71 -11.313 -6.211 -0.322 1.00 0.00 H new ATOM 0 HA TYR A 71 -13.773 -7.232 -1.604 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -11.231 -6.148 -2.900 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -12.733 -6.524 -3.719 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -14.447 -5.347 -1.323 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -11.264 -3.799 -3.679 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -15.200 -3.097 -0.836 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -12.011 -1.513 -3.169 1.00 0.00 H new ATOM 0 HH TYR A 71 -13.479 -0.240 -2.100 1.00 0.00 H new ATOM 1043 N CYS A 72 -10.946 -8.787 -1.424 1.00 0.00 N ATOM 1044 CA CYS A 72 -10.216 -10.031 -1.597 1.00 0.00 C ATOM 1045 C CYS A 72 -10.692 -10.999 -0.585 1.00 0.00 C ATOM 1046 O CYS A 72 -10.953 -12.160 -0.901 1.00 0.00 O ATOM 1047 CB CYS A 72 -8.710 -9.805 -1.400 1.00 0.00 C ATOM 1048 SG CYS A 72 -7.937 -8.754 -2.640 1.00 0.00 S ATOM 0 H CYS A 72 -10.447 -8.107 -0.850 1.00 0.00 H new ATOM 0 HA CYS A 72 -10.385 -10.409 -2.605 1.00 0.00 H new ATOM 0 HB2 CYS A 72 -8.549 -9.362 -0.417 1.00 0.00 H new ATOM 0 HB3 CYS A 72 -8.208 -10.773 -1.400 1.00 0.00 H new ATOM 0 HG CYS A 72 -7.071 -9.447 -3.318 1.00 0.00 H new ATOM 1054 N LYS A 73 -10.789 -10.506 0.668 1.00 0.00 N ATOM 1055 CA LYS A 73 -11.284 -11.260 1.817 1.00 0.00 C ATOM 1056 C LYS A 73 -10.272 -12.312 2.292 1.00 0.00 C ATOM 1057 O LYS A 73 -10.051 -12.472 3.493 1.00 0.00 O ATOM 1058 CB LYS A 73 -12.659 -11.830 1.502 1.00 0.00 C ATOM 1059 CG LYS A 73 -13.701 -10.742 1.241 1.00 0.00 C ATOM 1060 CD LYS A 73 -14.812 -11.284 0.394 1.00 0.00 C ATOM 1061 CE LYS A 73 -15.994 -10.327 0.259 1.00 0.00 C ATOM 1062 NZ LYS A 73 -15.683 -9.124 -0.540 1.00 0.00 N ATOM 0 H LYS A 73 -10.517 -9.552 0.904 1.00 0.00 H new ATOM 0 HA LYS A 73 -11.401 -10.586 2.665 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -12.588 -12.477 0.628 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -12.989 -12.452 2.334 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -14.100 -10.376 2.187 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -13.234 -9.893 0.742 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -14.424 -11.512 -0.599 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -15.161 -12.223 0.823 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -16.829 -10.855 -0.202 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -16.320 -10.020 1.253 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -16.545 -8.793 -1.019 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -15.325 -8.375 0.086 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -14.960 -9.357 -1.250 1.00 0.00 H new ATOM 1076 N ASN A 74 -9.654 -12.986 1.358 1.00 0.00 N ATOM 1077 CA ASN A 74 -8.598 -13.916 1.644 1.00 0.00 C ATOM 1078 C ASN A 74 -7.252 -13.249 1.323 1.00 0.00 C ATOM 1079 O ASN A 74 -7.083 -12.644 0.264 1.00 0.00 O ATOM 1080 CB ASN A 74 -8.757 -15.244 0.846 1.00 0.00 C ATOM 1081 CG ASN A 74 -8.671 -15.085 -0.676 1.00 0.00 C ATOM 1082 OD1 ASN A 74 -7.591 -15.137 -1.256 1.00 0.00 O ATOM 1083 ND2 ASN A 74 -9.797 -14.938 -1.326 1.00 0.00 N ATOM 0 H ASN A 74 -9.874 -12.902 0.366 1.00 0.00 H new ATOM 0 HA ASN A 74 -8.642 -14.179 2.701 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -7.985 -15.942 1.170 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -9.718 -15.692 1.098 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -9.793 -14.863 -2.343 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -10.679 -14.898 -0.815 1.00 0.00 H new ATOM 1090 N PRO A 75 -6.286 -13.289 2.253 1.00 0.00 N ATOM 1091 CA PRO A 75 -4.946 -12.712 2.035 1.00 0.00 C ATOM 1092 C PRO A 75 -4.086 -13.504 1.111 1.00 0.00 C ATOM 1093 O PRO A 75 -2.949 -13.136 0.825 1.00 0.00 O ATOM 1094 CB PRO A 75 -4.312 -12.709 3.346 1.00 0.00 C ATOM 1095 CG PRO A 75 -5.028 -13.766 4.144 1.00 0.00 C ATOM 1096 CD PRO A 75 -6.423 -13.841 3.603 1.00 0.00 C ATOM 0 HA PRO A 75 -5.057 -11.729 1.578 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -3.248 -12.931 3.267 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -4.400 -11.732 3.822 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -4.525 -14.728 4.052 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -5.037 -13.511 5.204 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -6.793 -14.866 3.584 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -7.121 -13.261 4.207 1.00 0.00 H new ATOM 1104 N GLU A 76 -4.634 -14.561 0.637 1.00 0.00 N ATOM 1105 CA GLU A 76 -4.024 -15.438 -0.337 1.00 0.00 C ATOM 1106 C GLU A 76 -3.927 -14.668 -1.673 1.00 0.00 C ATOM 1107 O GLU A 76 -3.269 -15.086 -2.625 1.00 0.00 O ATOM 1108 CB GLU A 76 -4.909 -16.659 -0.448 1.00 0.00 C ATOM 1109 CG GLU A 76 -4.482 -17.743 -1.391 1.00 0.00 C ATOM 1110 CD GLU A 76 -5.579 -18.754 -1.520 1.00 0.00 C ATOM 1111 OE1 GLU A 76 -5.758 -19.576 -0.598 1.00 0.00 O ATOM 1112 OE2 GLU A 76 -6.332 -18.696 -2.517 1.00 0.00 O ATOM 0 H GLU A 76 -5.565 -14.868 0.920 1.00 0.00 H new ATOM 0 HA GLU A 76 -3.020 -15.754 -0.056 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -5.004 -17.097 0.546 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -5.903 -16.327 -0.746 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -4.247 -17.319 -2.367 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -3.574 -18.221 -1.025 1.00 0.00 H new ATOM 1119 N ASP A 77 -4.557 -13.519 -1.677 1.00 0.00 N ATOM 1120 CA ASP A 77 -4.618 -12.650 -2.830 1.00 0.00 C ATOM 1121 C ASP A 77 -3.953 -11.314 -2.490 1.00 0.00 C ATOM 1122 O ASP A 77 -3.722 -10.469 -3.357 1.00 0.00 O ATOM 1123 CB ASP A 77 -6.091 -12.426 -3.202 1.00 0.00 C ATOM 1124 CG ASP A 77 -6.280 -11.728 -4.531 1.00 0.00 C ATOM 1125 OD1 ASP A 77 -6.136 -12.390 -5.584 1.00 0.00 O ATOM 1126 OD2 ASP A 77 -6.638 -10.536 -4.558 1.00 0.00 O ATOM 0 H ASP A 77 -5.052 -13.153 -0.864 1.00 0.00 H new ATOM 0 HA ASP A 77 -4.095 -13.102 -3.673 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -6.600 -13.389 -3.231 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -6.569 -11.836 -2.420 1.00 0.00 H new ATOM 1131 N LEU A 78 -3.577 -11.170 -1.225 1.00 0.00 N ATOM 1132 CA LEU A 78 -3.029 -9.968 -0.698 1.00 0.00 C ATOM 1133 C LEU A 78 -1.526 -9.967 -0.872 1.00 0.00 C ATOM 1134 O LEU A 78 -0.777 -10.630 -0.127 1.00 0.00 O ATOM 1135 CB LEU A 78 -3.371 -9.895 0.763 1.00 0.00 C ATOM 1136 CG LEU A 78 -2.802 -8.741 1.531 1.00 0.00 C ATOM 1137 CD1 LEU A 78 -3.434 -7.442 1.163 1.00 0.00 C ATOM 1138 CD2 LEU A 78 -2.883 -8.972 2.989 1.00 0.00 C ATOM 0 H LEU A 78 -3.655 -11.917 -0.535 1.00 0.00 H new ATOM 0 HA LEU A 78 -3.441 -9.107 -1.225 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -4.456 -9.864 0.857 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -3.036 -10.817 1.237 1.00 0.00 H new ATOM 0 HG LEU A 78 -1.750 -8.674 1.253 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -2.985 -6.640 1.749 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -3.276 -7.248 0.102 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -4.503 -7.486 1.369 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -2.462 -8.116 3.517 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -3.926 -9.100 3.280 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -2.321 -9.870 3.247 1.00 0.00 H new ATOM 1150 N GLU A 79 -1.123 -9.307 -1.873 1.00 0.00 N ATOM 1151 CA GLU A 79 0.218 -9.139 -2.248 1.00 0.00 C ATOM 1152 C GLU A 79 0.335 -7.772 -2.831 1.00 0.00 C ATOM 1153 O GLU A 79 -0.584 -7.324 -3.475 1.00 0.00 O ATOM 1154 CB GLU A 79 0.510 -10.131 -3.341 1.00 0.00 C ATOM 1155 CG GLU A 79 1.852 -9.986 -3.981 1.00 0.00 C ATOM 1156 CD GLU A 79 2.993 -10.165 -3.009 1.00 0.00 C ATOM 1157 OE1 GLU A 79 3.326 -9.195 -2.276 1.00 0.00 O ATOM 1158 OE2 GLU A 79 3.567 -11.255 -2.947 1.00 0.00 O ATOM 0 H GLU A 79 -1.769 -8.832 -2.503 1.00 0.00 H new ATOM 0 HA GLU A 79 0.896 -9.276 -1.405 1.00 0.00 H new ATOM 0 HB2 GLU A 79 0.427 -11.137 -2.930 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -0.256 -10.037 -4.111 1.00 0.00 H new ATOM 0 HG2 GLU A 79 1.947 -10.719 -4.783 1.00 0.00 H new ATOM 0 HG3 GLU A 79 1.925 -9.000 -4.440 1.00 0.00 H new ATOM 1165 N CYS A 80 1.469 -7.149 -2.677 1.00 0.00 N ATOM 1166 CA CYS A 80 1.703 -5.875 -3.291 1.00 0.00 C ATOM 1167 C CYS A 80 2.195 -6.161 -4.673 1.00 0.00 C ATOM 1168 O CYS A 80 3.393 -6.095 -4.971 1.00 0.00 O ATOM 1169 CB CYS A 80 2.701 -5.020 -2.498 1.00 0.00 C ATOM 1170 SG CYS A 80 3.218 -3.474 -3.301 1.00 0.00 S ATOM 0 H CYS A 80 2.250 -7.507 -2.127 1.00 0.00 H new ATOM 0 HA CYS A 80 0.785 -5.287 -3.314 1.00 0.00 H new ATOM 0 HB2 CYS A 80 2.257 -4.777 -1.532 1.00 0.00 H new ATOM 0 HB3 CYS A 80 3.589 -5.620 -2.299 1.00 0.00 H new ATOM 0 HG CYS A 80 3.603 -3.724 -4.517 1.00 0.00 H new ATOM 1176 N ASN A 81 1.287 -6.605 -5.482 1.00 0.00 N ATOM 1177 CA ASN A 81 1.618 -7.011 -6.820 1.00 0.00 C ATOM 1178 C ASN A 81 1.303 -5.873 -7.749 1.00 0.00 C ATOM 1179 O ASN A 81 0.969 -4.811 -7.309 1.00 0.00 O ATOM 1180 CB ASN A 81 0.820 -8.221 -7.239 1.00 0.00 C ATOM 1181 CG ASN A 81 -0.664 -7.891 -7.307 1.00 0.00 C ATOM 1182 OD1 ASN A 81 -1.130 -7.381 -8.225 1.00 0.00 O ATOM 1183 ND2 ASN A 81 -1.354 -8.148 -6.342 1.00 0.00 N ATOM 0 H ASN A 81 0.300 -6.698 -5.241 1.00 0.00 H new ATOM 0 HA ASN A 81 2.676 -7.271 -6.858 1.00 0.00 H new ATOM 0 HB2 ASN A 81 1.165 -8.571 -8.212 1.00 0.00 H new ATOM 0 HB3 ASN A 81 0.985 -9.034 -6.532 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -2.346 -7.911 -6.347 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -0.942 -8.601 -5.526 1.00 0.00 H new ATOM 1190 N GLU A 82 1.334 -6.152 -9.013 1.00 0.00 N ATOM 1191 CA GLU A 82 1.068 -5.210 -10.076 1.00 0.00 C ATOM 1192 C GLU A 82 -0.336 -4.602 -10.019 1.00 0.00 C ATOM 1193 O GLU A 82 -0.486 -3.396 -10.134 1.00 0.00 O ATOM 1194 CB GLU A 82 1.226 -5.950 -11.319 1.00 0.00 C ATOM 1195 CG GLU A 82 2.660 -6.368 -11.565 1.00 0.00 C ATOM 1196 CD GLU A 82 3.647 -5.216 -11.443 1.00 0.00 C ATOM 1197 OE1 GLU A 82 3.623 -4.293 -12.281 1.00 0.00 O ATOM 1198 OE2 GLU A 82 4.455 -5.215 -10.474 1.00 0.00 O ATOM 0 H GLU A 82 1.555 -7.086 -9.358 1.00 0.00 H new ATOM 0 HA GLU A 82 1.756 -4.369 -9.986 1.00 0.00 H new ATOM 0 HB2 GLU A 82 0.592 -6.836 -11.294 1.00 0.00 H new ATOM 0 HB3 GLU A 82 0.882 -5.335 -12.151 1.00 0.00 H new ATOM 0 HG2 GLU A 82 2.932 -7.148 -10.854 1.00 0.00 H new ATOM 0 HG3 GLU A 82 2.740 -6.803 -12.561 1.00 0.00 H new ATOM 1205 N ASN A 83 -1.339 -5.468 -9.853 1.00 0.00 N ATOM 1206 CA ASN A 83 -2.751 -5.090 -9.655 1.00 0.00 C ATOM 1207 C ASN A 83 -2.776 -4.089 -8.569 1.00 0.00 C ATOM 1208 O ASN A 83 -3.302 -2.956 -8.726 1.00 0.00 O ATOM 1209 CB ASN A 83 -3.592 -6.295 -9.110 1.00 0.00 C ATOM 1210 CG ASN A 83 -3.764 -7.469 -10.045 1.00 0.00 C ATOM 1211 OD1 ASN A 83 -3.834 -7.324 -11.260 1.00 0.00 O ATOM 1212 ND2 ASN A 83 -3.834 -8.652 -9.476 1.00 0.00 N ATOM 0 H ASN A 83 -1.194 -6.478 -9.852 1.00 0.00 H new ATOM 0 HA ASN A 83 -3.155 -4.742 -10.605 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -3.122 -6.653 -8.194 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -4.581 -5.927 -8.838 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -3.950 -9.488 -10.049 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -3.772 -8.734 -8.461 1.00 0.00 H new ATOM 1219 N VAL A 84 -2.142 -4.476 -7.457 1.00 0.00 N ATOM 1220 CA VAL A 84 -2.149 -3.628 -6.308 1.00 0.00 C ATOM 1221 C VAL A 84 -1.396 -2.339 -6.569 1.00 0.00 C ATOM 1222 O VAL A 84 -1.927 -1.282 -6.351 1.00 0.00 O ATOM 1223 CB VAL A 84 -1.648 -4.344 -5.072 1.00 0.00 C ATOM 1224 CG1 VAL A 84 -1.611 -3.427 -3.883 1.00 0.00 C ATOM 1225 CG2 VAL A 84 -2.546 -5.487 -4.779 1.00 0.00 C ATOM 0 H VAL A 84 -1.634 -5.354 -7.349 1.00 0.00 H new ATOM 0 HA VAL A 84 -3.186 -3.359 -6.108 1.00 0.00 H new ATOM 0 HB VAL A 84 -0.633 -4.692 -5.264 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -1.247 -3.974 -3.013 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -0.945 -2.589 -4.090 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -2.614 -3.052 -3.682 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -2.192 -6.009 -3.890 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -3.558 -5.120 -4.606 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -2.549 -6.174 -5.625 1.00 0.00 H new ATOM 1235 N LYS A 85 -0.198 -2.447 -7.123 1.00 0.00 N ATOM 1236 CA LYS A 85 0.635 -1.266 -7.423 1.00 0.00 C ATOM 1237 C LYS A 85 -0.099 -0.282 -8.270 1.00 0.00 C ATOM 1238 O LYS A 85 -0.187 0.876 -7.908 1.00 0.00 O ATOM 1239 CB LYS A 85 1.905 -1.659 -8.132 1.00 0.00 C ATOM 1240 CG LYS A 85 2.813 -2.483 -7.298 1.00 0.00 C ATOM 1241 CD LYS A 85 3.965 -2.973 -8.100 1.00 0.00 C ATOM 1242 CE LYS A 85 4.673 -4.035 -7.342 1.00 0.00 C ATOM 1243 NZ LYS A 85 5.751 -4.649 -8.138 1.00 0.00 N ATOM 0 H LYS A 85 0.230 -3.337 -7.379 1.00 0.00 H new ATOM 0 HA LYS A 85 0.880 -0.806 -6.466 1.00 0.00 H new ATOM 0 HB2 LYS A 85 1.651 -2.213 -9.036 1.00 0.00 H new ATOM 0 HB3 LYS A 85 2.431 -0.758 -8.447 1.00 0.00 H new ATOM 0 HG2 LYS A 85 3.175 -1.894 -6.455 1.00 0.00 H new ATOM 0 HG3 LYS A 85 2.266 -3.330 -6.884 1.00 0.00 H new ATOM 0 HD2 LYS A 85 3.617 -3.363 -9.057 1.00 0.00 H new ATOM 0 HD3 LYS A 85 4.646 -2.151 -8.319 1.00 0.00 H new ATOM 0 HE2 LYS A 85 5.091 -3.612 -6.428 1.00 0.00 H new ATOM 0 HE3 LYS A 85 3.961 -4.803 -7.041 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 5.934 -5.612 -7.790 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 5.464 -4.691 -9.137 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 6.616 -4.078 -8.049 1.00 0.00 H new ATOM 1257 N HIS A 86 -0.662 -0.768 -9.363 1.00 0.00 N ATOM 1258 CA HIS A 86 -1.448 0.054 -10.295 1.00 0.00 C ATOM 1259 C HIS A 86 -2.494 0.822 -9.523 1.00 0.00 C ATOM 1260 O HIS A 86 -2.556 2.069 -9.558 1.00 0.00 O ATOM 1261 CB HIS A 86 -2.129 -0.840 -11.378 1.00 0.00 C ATOM 1262 CG HIS A 86 -3.156 -0.132 -12.257 1.00 0.00 C ATOM 1263 ND1 HIS A 86 -2.870 0.399 -13.485 1.00 0.00 N ATOM 1264 CD2 HIS A 86 -4.478 0.115 -12.051 1.00 0.00 C ATOM 1265 CE1 HIS A 86 -3.943 0.943 -14.003 1.00 0.00 C ATOM 1266 NE2 HIS A 86 -4.945 0.789 -13.152 1.00 0.00 N ATOM 0 H HIS A 86 -0.592 -1.748 -9.639 1.00 0.00 H new ATOM 0 HA HIS A 86 -0.782 0.753 -10.801 1.00 0.00 H new ATOM 0 HB2 HIS A 86 -1.354 -1.259 -12.019 1.00 0.00 H new ATOM 0 HB3 HIS A 86 -2.617 -1.677 -10.880 1.00 0.00 H new ATOM 0 HD2 HIS A 86 -5.054 -0.167 -11.182 1.00 0.00 H new ATOM 0 HE1 HIS A 86 -4.000 1.435 -14.963 1.00 0.00 H new ATOM 0 HE2 HIS A 86 -5.901 1.116 -13.291 1.00 0.00 H new ATOM 1274 N LYS A 87 -3.248 0.072 -8.780 1.00 0.00 N ATOM 1275 CA LYS A 87 -4.361 0.571 -8.029 1.00 0.00 C ATOM 1276 C LYS A 87 -3.898 1.581 -6.995 1.00 0.00 C ATOM 1277 O LYS A 87 -4.511 2.616 -6.828 1.00 0.00 O ATOM 1278 CB LYS A 87 -5.052 -0.595 -7.389 1.00 0.00 C ATOM 1279 CG LYS A 87 -6.231 -0.260 -6.537 1.00 0.00 C ATOM 1280 CD LYS A 87 -6.755 -1.508 -5.875 1.00 0.00 C ATOM 1281 CE LYS A 87 -5.725 -2.109 -4.899 1.00 0.00 C ATOM 1282 NZ LYS A 87 -6.230 -3.295 -4.168 1.00 0.00 N ATOM 0 H LYS A 87 -3.103 -0.932 -8.676 1.00 0.00 H new ATOM 0 HA LYS A 87 -5.060 1.089 -8.686 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -5.377 -1.277 -8.175 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -4.327 -1.133 -6.779 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -5.948 0.472 -5.781 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -7.013 0.195 -7.145 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -7.674 -1.276 -5.337 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -7.008 -2.245 -6.637 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -4.829 -2.388 -5.454 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -5.430 -1.346 -4.179 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -5.701 -3.406 -3.280 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -7.240 -3.168 -3.956 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -6.104 -4.144 -4.755 1.00 0.00 H new ATOM 1296 N THR A 88 -2.783 1.316 -6.425 1.00 0.00 N ATOM 1297 CA THR A 88 -2.279 2.044 -5.369 1.00 0.00 C ATOM 1298 C THR A 88 -1.769 3.360 -5.796 1.00 0.00 C ATOM 1299 O THR A 88 -2.270 4.356 -5.347 1.00 0.00 O ATOM 1300 CB THR A 88 -1.217 1.244 -4.679 1.00 0.00 C ATOM 1301 OG1 THR A 88 -1.846 0.182 -3.976 1.00 0.00 O ATOM 1302 CG2 THR A 88 -0.397 2.102 -3.768 1.00 0.00 C ATOM 0 H THR A 88 -2.182 0.543 -6.711 1.00 0.00 H new ATOM 0 HA THR A 88 -3.090 2.244 -4.669 1.00 0.00 H new ATOM 0 HB THR A 88 -0.526 0.832 -5.415 1.00 0.00 H new ATOM 0 HG1 THR A 88 -1.455 0.106 -3.080 1.00 0.00 H new ATOM 0 HG21 THR A 88 0.365 1.492 -3.282 1.00 0.00 H new ATOM 0 HG22 THR A 88 0.084 2.891 -4.346 1.00 0.00 H new ATOM 0 HG23 THR A 88 -1.042 2.549 -3.011 1.00 0.00 H new ATOM 1310 N LYS A 89 -0.807 3.381 -6.677 1.00 0.00 N ATOM 1311 CA LYS A 89 -0.266 4.629 -7.097 1.00 0.00 C ATOM 1312 C LYS A 89 -1.297 5.520 -7.774 1.00 0.00 C ATOM 1313 O LYS A 89 -1.303 6.716 -7.561 1.00 0.00 O ATOM 1314 CB LYS A 89 1.025 4.457 -7.898 1.00 0.00 C ATOM 1315 CG LYS A 89 1.050 3.333 -8.896 1.00 0.00 C ATOM 1316 CD LYS A 89 0.110 3.529 -10.009 1.00 0.00 C ATOM 1317 CE LYS A 89 0.609 2.882 -11.291 1.00 0.00 C ATOM 1318 NZ LYS A 89 1.867 3.499 -11.775 1.00 0.00 N ATOM 0 H LYS A 89 -0.391 2.556 -7.109 1.00 0.00 H new ATOM 0 HA LYS A 89 0.020 5.170 -6.195 1.00 0.00 H new ATOM 0 HB2 LYS A 89 1.224 5.388 -8.428 1.00 0.00 H new ATOM 0 HB3 LYS A 89 1.845 4.308 -7.196 1.00 0.00 H new ATOM 0 HG2 LYS A 89 2.059 3.231 -9.294 1.00 0.00 H new ATOM 0 HG3 LYS A 89 0.812 2.398 -8.388 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -0.860 3.109 -9.744 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -0.039 4.596 -10.175 1.00 0.00 H new ATOM 0 HE2 LYS A 89 0.770 1.818 -11.120 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -0.157 2.969 -12.062 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 1.918 3.417 -12.810 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 1.887 4.503 -11.506 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 2.680 3.010 -11.348 1.00 0.00 H new ATOM 1332 N GLU A 90 -2.205 4.910 -8.550 1.00 0.00 N ATOM 1333 CA GLU A 90 -3.301 5.669 -9.166 1.00 0.00 C ATOM 1334 C GLU A 90 -4.276 6.184 -8.118 1.00 0.00 C ATOM 1335 O GLU A 90 -4.799 7.333 -8.225 1.00 0.00 O ATOM 1336 CB GLU A 90 -4.010 4.861 -10.228 1.00 0.00 C ATOM 1337 CG GLU A 90 -3.168 4.671 -11.479 1.00 0.00 C ATOM 1338 CD GLU A 90 -2.799 6.000 -12.106 1.00 0.00 C ATOM 1339 OE1 GLU A 90 -3.626 6.555 -12.864 1.00 0.00 O ATOM 1340 OE2 GLU A 90 -1.686 6.527 -11.843 1.00 0.00 O ATOM 0 H GLU A 90 -2.203 3.912 -8.763 1.00 0.00 H new ATOM 0 HA GLU A 90 -2.859 6.535 -9.659 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -4.274 3.885 -9.821 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -4.943 5.358 -10.495 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -2.261 4.121 -11.228 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -3.718 4.067 -12.201 1.00 0.00 H new ATOM 1347 N TYR A 91 -4.442 5.398 -7.059 1.00 0.00 N ATOM 1348 CA TYR A 91 -5.277 5.793 -5.946 1.00 0.00 C ATOM 1349 C TYR A 91 -4.629 6.966 -5.294 1.00 0.00 C ATOM 1350 O TYR A 91 -5.264 7.955 -5.075 1.00 0.00 O ATOM 1351 CB TYR A 91 -5.449 4.644 -4.931 1.00 0.00 C ATOM 1352 CG TYR A 91 -5.807 5.064 -3.523 1.00 0.00 C ATOM 1353 CD1 TYR A 91 -7.007 5.693 -3.234 1.00 0.00 C ATOM 1354 CD2 TYR A 91 -4.920 4.834 -2.486 1.00 0.00 C ATOM 1355 CE1 TYR A 91 -7.311 6.076 -1.945 1.00 0.00 C ATOM 1356 CE2 TYR A 91 -5.210 5.206 -1.204 1.00 0.00 C ATOM 1357 CZ TYR A 91 -6.409 5.826 -0.932 1.00 0.00 C ATOM 1358 OH TYR A 91 -6.704 6.200 0.363 1.00 0.00 O ATOM 0 H TYR A 91 -4.005 4.482 -6.955 1.00 0.00 H new ATOM 0 HA TYR A 91 -6.273 6.048 -6.307 1.00 0.00 H new ATOM 0 HB2 TYR A 91 -6.224 3.972 -5.299 1.00 0.00 H new ATOM 0 HB3 TYR A 91 -4.522 4.072 -4.896 1.00 0.00 H new ATOM 0 HD1 TYR A 91 -7.713 5.886 -4.028 1.00 0.00 H new ATOM 0 HD2 TYR A 91 -3.978 4.350 -2.695 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -8.248 6.568 -1.730 1.00 0.00 H new ATOM 0 HE2 TYR A 91 -4.504 5.015 -0.409 1.00 0.00 H new ATOM 0 HH TYR A 91 -6.091 5.750 0.981 1.00 0.00 H new ATOM 1368 N ILE A 92 -3.340 6.832 -5.023 1.00 0.00 N ATOM 1369 CA ILE A 92 -2.519 7.898 -4.447 1.00 0.00 C ATOM 1370 C ILE A 92 -2.670 9.183 -5.218 1.00 0.00 C ATOM 1371 O ILE A 92 -2.917 10.225 -4.604 1.00 0.00 O ATOM 1372 CB ILE A 92 -1.031 7.503 -4.445 1.00 0.00 C ATOM 1373 CG1 ILE A 92 -0.805 6.255 -3.590 1.00 0.00 C ATOM 1374 CG2 ILE A 92 -0.155 8.674 -3.991 1.00 0.00 C ATOM 1375 CD1 ILE A 92 -0.709 6.486 -2.148 1.00 0.00 C ATOM 0 H ILE A 92 -2.823 5.970 -5.197 1.00 0.00 H new ATOM 0 HA ILE A 92 -2.864 8.047 -3.424 1.00 0.00 H new ATOM 0 HB ILE A 92 -0.736 7.258 -5.465 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -1.622 5.557 -3.775 1.00 0.00 H new ATOM 0 HG13 ILE A 92 0.112 5.769 -3.924 1.00 0.00 H new ATOM 0 HG21 ILE A 92 0.892 8.370 -3.998 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -0.293 9.516 -4.670 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -0.439 8.971 -2.982 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -0.549 5.536 -1.637 1.00 0.00 H new ATOM 0 HD12 ILE A 92 0.127 7.154 -1.941 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -1.633 6.939 -1.790 1.00 0.00 H new ATOM 1387 N LYS A 93 -2.536 9.102 -6.548 1.00 0.00 N ATOM 1388 CA LYS A 93 -2.673 10.268 -7.410 1.00 0.00 C ATOM 1389 C LYS A 93 -3.972 10.954 -7.059 1.00 0.00 C ATOM 1390 O LYS A 93 -3.992 12.066 -6.495 1.00 0.00 O ATOM 1391 CB LYS A 93 -2.750 9.876 -8.908 1.00 0.00 C ATOM 1392 CG LYS A 93 -1.653 8.966 -9.444 1.00 0.00 C ATOM 1393 CD LYS A 93 -0.276 9.595 -9.444 1.00 0.00 C ATOM 1394 CE LYS A 93 0.776 8.590 -9.932 1.00 0.00 C ATOM 1395 NZ LYS A 93 0.475 8.059 -11.292 1.00 0.00 N ATOM 0 H LYS A 93 -2.332 8.235 -7.045 1.00 0.00 H new ATOM 0 HA LYS A 93 -1.803 10.907 -7.259 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -3.709 9.388 -9.081 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -2.748 10.792 -9.498 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -1.625 8.056 -8.845 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -1.906 8.670 -10.462 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -0.272 10.475 -10.087 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -0.025 9.934 -8.439 1.00 0.00 H new ATOM 0 HE2 LYS A 93 1.754 9.070 -9.942 1.00 0.00 H new ATOM 0 HE3 LYS A 93 0.835 7.761 -9.227 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 1.346 7.684 -11.719 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -0.230 7.298 -11.219 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 0.099 8.824 -11.888 1.00 0.00 H new ATOM 1409 N LYS A 94 -5.043 10.195 -7.197 1.00 0.00 N ATOM 1410 CA LYS A 94 -6.366 10.762 -7.094 1.00 0.00 C ATOM 1411 C LYS A 94 -6.651 11.195 -5.679 1.00 0.00 C ATOM 1412 O LYS A 94 -7.394 12.152 -5.443 1.00 0.00 O ATOM 1413 CB LYS A 94 -7.427 9.769 -7.549 1.00 0.00 C ATOM 1414 CG LYS A 94 -7.269 9.281 -8.973 1.00 0.00 C ATOM 1415 CD LYS A 94 -8.390 8.328 -9.342 1.00 0.00 C ATOM 1416 CE LYS A 94 -8.193 7.735 -10.722 1.00 0.00 C ATOM 1417 NZ LYS A 94 -9.341 6.899 -11.132 1.00 0.00 N ATOM 0 H LYS A 94 -5.019 9.192 -7.379 1.00 0.00 H new ATOM 0 HA LYS A 94 -6.402 11.633 -7.748 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -7.410 8.908 -6.881 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -8.408 10.233 -7.445 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -7.268 10.131 -9.656 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -6.307 8.780 -9.086 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -8.442 7.526 -8.606 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -9.343 8.856 -9.306 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -8.052 8.538 -11.445 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -7.284 7.134 -10.732 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -9.167 6.512 -12.082 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -9.460 6.118 -10.456 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -10.205 7.478 -11.147 1.00 0.00 H new ATOM 1431 N TYR A 95 -6.063 10.488 -4.754 1.00 0.00 N ATOM 1432 CA TYR A 95 -6.212 10.767 -3.394 1.00 0.00 C ATOM 1433 C TYR A 95 -5.613 12.109 -3.052 1.00 0.00 C ATOM 1434 O TYR A 95 -6.254 12.938 -2.463 1.00 0.00 O ATOM 1435 CB TYR A 95 -5.555 9.673 -2.595 1.00 0.00 C ATOM 1436 CG TYR A 95 -5.563 9.958 -1.137 1.00 0.00 C ATOM 1437 CD1 TYR A 95 -6.732 9.839 -0.415 1.00 0.00 C ATOM 1438 CD2 TYR A 95 -4.432 10.412 -0.492 1.00 0.00 C ATOM 1439 CE1 TYR A 95 -6.774 10.144 0.914 1.00 0.00 C ATOM 1440 CE2 TYR A 95 -4.470 10.726 0.843 1.00 0.00 C ATOM 1441 CZ TYR A 95 -5.646 10.588 1.540 1.00 0.00 C ATOM 1442 OH TYR A 95 -5.687 10.881 2.873 1.00 0.00 O ATOM 0 H TYR A 95 -5.459 9.690 -4.952 1.00 0.00 H new ATOM 0 HA TYR A 95 -7.273 10.809 -3.149 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -6.070 8.730 -2.782 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -4.526 9.547 -2.933 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -7.629 9.499 -0.910 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -3.509 10.521 -1.042 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -7.695 10.035 1.467 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -3.581 11.080 1.343 1.00 0.00 H new ATOM 0 HH TYR A 95 -5.173 10.211 3.371 1.00 0.00 H new ATOM 1452 N MET A 96 -4.392 12.323 -3.430 1.00 0.00 N ATOM 1453 CA MET A 96 -3.743 13.537 -3.110 1.00 0.00 C ATOM 1454 C MET A 96 -4.327 14.709 -3.855 1.00 0.00 C ATOM 1455 O MET A 96 -4.176 15.860 -3.436 1.00 0.00 O ATOM 1456 CB MET A 96 -2.266 13.417 -3.308 1.00 0.00 C ATOM 1457 CG MET A 96 -1.689 12.240 -2.534 1.00 0.00 C ATOM 1458 SD MET A 96 -0.011 12.463 -2.013 1.00 0.00 S ATOM 1459 CE MET A 96 -0.214 13.911 -1.027 1.00 0.00 C ATOM 0 H MET A 96 -3.828 11.662 -3.964 1.00 0.00 H new ATOM 0 HA MET A 96 -3.918 13.737 -2.053 1.00 0.00 H new ATOM 0 HB2 MET A 96 -2.050 13.296 -4.369 1.00 0.00 H new ATOM 0 HB3 MET A 96 -1.780 14.338 -2.986 1.00 0.00 H new ATOM 0 HG2 MET A 96 -2.309 12.059 -1.656 1.00 0.00 H new ATOM 0 HG3 MET A 96 -1.748 11.347 -3.156 1.00 0.00 H new ATOM 0 HE1 MET A 96 0.653 14.034 -0.378 1.00 0.00 H new ATOM 0 HE2 MET A 96 -0.309 14.782 -1.675 1.00 0.00 H new ATOM 0 HE3 MET A 96 -1.112 13.813 -0.417 1.00 0.00 H new ATOM 1469 N GLN A 97 -5.049 14.413 -4.942 1.00 0.00 N ATOM 1470 CA GLN A 97 -5.730 15.464 -5.683 1.00 0.00 C ATOM 1471 C GLN A 97 -6.825 16.112 -4.841 1.00 0.00 C ATOM 1472 O GLN A 97 -7.221 17.243 -5.107 1.00 0.00 O ATOM 1473 CB GLN A 97 -6.322 14.981 -7.013 1.00 0.00 C ATOM 1474 CG GLN A 97 -5.354 14.245 -7.921 1.00 0.00 C ATOM 1475 CD GLN A 97 -3.993 14.895 -8.031 1.00 0.00 C ATOM 1476 OE1 GLN A 97 -3.746 15.753 -8.887 1.00 0.00 O ATOM 1477 NE2 GLN A 97 -3.081 14.445 -7.195 1.00 0.00 N ATOM 0 H GLN A 97 -5.172 13.472 -5.317 1.00 0.00 H new ATOM 0 HA GLN A 97 -4.963 16.203 -5.917 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -7.166 14.325 -6.800 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -6.716 15.843 -7.551 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -5.230 13.227 -7.552 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -5.791 14.172 -8.917 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -3.328 13.736 -6.504 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -2.128 14.805 -7.238 1.00 0.00 H new ATOM 1486 N LYS A 98 -7.290 15.404 -3.814 1.00 0.00 N ATOM 1487 CA LYS A 98 -8.374 15.918 -2.982 1.00 0.00 C ATOM 1488 C LYS A 98 -7.876 16.966 -1.987 1.00 0.00 C ATOM 1489 O LYS A 98 -8.653 17.799 -1.513 1.00 0.00 O ATOM 1490 CB LYS A 98 -9.137 14.794 -2.221 1.00 0.00 C ATOM 1491 CG LYS A 98 -8.407 14.179 -1.009 1.00 0.00 C ATOM 1492 CD LYS A 98 -9.330 14.048 0.190 1.00 0.00 C ATOM 1493 CE LYS A 98 -9.744 15.414 0.711 1.00 0.00 C ATOM 1494 NZ LYS A 98 -10.883 15.356 1.666 1.00 0.00 N ATOM 0 H LYS A 98 -6.939 14.486 -3.541 1.00 0.00 H new ATOM 0 HA LYS A 98 -9.074 16.388 -3.672 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -10.090 15.197 -1.879 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -9.364 13.995 -2.927 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -8.017 13.197 -1.278 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -7.552 14.801 -0.745 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -10.216 13.478 -0.089 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -8.828 13.490 0.981 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -8.891 15.883 1.201 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -10.016 16.050 -0.131 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -11.346 16.286 1.711 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -11.569 14.643 1.345 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -10.532 15.098 2.610 1.00 0.00 H new ATOM 1508 N PHE A 99 -6.587 16.905 -1.654 1.00 0.00 N ATOM 1509 CA PHE A 99 -6.014 17.846 -0.705 1.00 0.00 C ATOM 1510 C PHE A 99 -5.918 19.220 -1.320 1.00 0.00 C ATOM 1511 O PHE A 99 -6.301 20.213 -0.710 1.00 0.00 O ATOM 1512 CB PHE A 99 -4.632 17.406 -0.201 1.00 0.00 C ATOM 1513 CG PHE A 99 -4.618 16.188 0.679 1.00 0.00 C ATOM 1514 CD1 PHE A 99 -5.255 16.207 1.907 1.00 0.00 C ATOM 1515 CD2 PHE A 99 -3.922 15.049 0.310 1.00 0.00 C ATOM 1516 CE1 PHE A 99 -5.214 15.115 2.740 1.00 0.00 C ATOM 1517 CE2 PHE A 99 -3.882 13.949 1.149 1.00 0.00 C ATOM 1518 CZ PHE A 99 -4.537 13.995 2.362 1.00 0.00 C ATOM 0 H PHE A 99 -5.929 16.220 -2.025 1.00 0.00 H new ATOM 0 HA PHE A 99 -6.683 17.873 0.155 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -3.994 17.216 -1.064 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -4.185 18.234 0.349 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -5.792 17.092 2.215 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -3.407 15.019 -0.639 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -5.719 15.145 3.694 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -3.342 13.061 0.856 1.00 0.00 H new ATOM 0 HZ PHE A 99 -4.513 13.137 3.017 1.00 0.00 H new ATOM 1528 N GLY A 100 -5.435 19.270 -2.530 1.00 0.00 N ATOM 1529 CA GLY A 100 -5.274 20.512 -3.198 1.00 0.00 C ATOM 1530 C GLY A 100 -3.830 20.769 -3.428 1.00 0.00 C ATOM 1531 O GLY A 100 -3.135 19.909 -3.924 1.00 0.00 O ATOM 0 H GLY A 100 -5.147 18.454 -3.069 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -5.807 20.497 -4.149 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -5.707 21.316 -2.602 1.00 0.00 H new ATOM 1535 N ALA A 101 -3.367 21.896 -3.011 1.00 0.00 N ATOM 1536 CA ALA A 101 -1.982 22.264 -3.198 1.00 0.00 C ATOM 1537 C ALA A 101 -1.109 21.578 -2.173 1.00 0.00 C ATOM 1538 O ALA A 101 -0.071 21.008 -2.505 1.00 0.00 O ATOM 1539 CB ALA A 101 -1.807 23.768 -3.104 1.00 0.00 C ATOM 0 H ALA A 101 -3.928 22.598 -2.529 1.00 0.00 H new ATOM 0 HA ALA A 101 -1.678 21.940 -4.194 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -0.757 24.022 -3.248 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -2.406 24.253 -3.875 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -2.132 24.111 -2.122 1.00 0.00 H new ATOM 1545 N VAL A 102 -1.540 21.591 -0.938 1.00 0.00 N ATOM 1546 CA VAL A 102 -0.731 21.041 0.125 1.00 0.00 C ATOM 1547 C VAL A 102 -1.468 19.869 0.732 1.00 0.00 C ATOM 1548 O VAL A 102 -2.692 19.776 0.666 1.00 0.00 O ATOM 1549 CB VAL A 102 -0.425 22.075 1.228 1.00 0.00 C ATOM 1550 CG1 VAL A 102 0.757 21.686 2.079 1.00 0.00 C ATOM 1551 CG2 VAL A 102 -0.285 23.472 0.685 1.00 0.00 C ATOM 0 H VAL A 102 -2.439 21.972 -0.642 1.00 0.00 H new ATOM 0 HA VAL A 102 0.223 20.731 -0.303 1.00 0.00 H new ATOM 0 HB VAL A 102 -1.296 22.075 1.884 1.00 0.00 H new ATOM 0 HG11 VAL A 102 0.926 22.450 2.838 1.00 0.00 H new ATOM 0 HG12 VAL A 102 0.557 20.730 2.564 1.00 0.00 H new ATOM 0 HG13 VAL A 102 1.643 21.596 1.451 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -0.070 24.160 1.502 1.00 0.00 H new ATOM 0 HG22 VAL A 102 0.530 23.501 -0.038 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -1.214 23.767 0.197 1.00 0.00 H new ATOM 1561 N TYR A 103 -0.720 19.005 1.320 1.00 0.00 N ATOM 1562 CA TYR A 103 -1.222 17.862 1.967 1.00 0.00 C ATOM 1563 C TYR A 103 -1.635 18.231 3.373 1.00 0.00 C ATOM 1564 O TYR A 103 -0.804 18.436 4.265 1.00 0.00 O ATOM 1565 CB TYR A 103 -0.196 16.707 1.915 1.00 0.00 C ATOM 1566 CG TYR A 103 -0.374 15.646 2.976 1.00 0.00 C ATOM 1567 CD1 TYR A 103 -1.592 15.096 3.237 1.00 0.00 C ATOM 1568 CD2 TYR A 103 0.690 15.234 3.733 1.00 0.00 C ATOM 1569 CE1 TYR A 103 -1.760 14.176 4.226 1.00 0.00 C ATOM 1570 CE2 TYR A 103 0.538 14.293 4.722 1.00 0.00 C ATOM 1571 CZ TYR A 103 -0.683 13.771 4.970 1.00 0.00 C ATOM 1572 OH TYR A 103 -0.839 12.855 5.996 1.00 0.00 O ATOM 0 H TYR A 103 0.296 19.085 1.361 1.00 0.00 H new ATOM 0 HA TYR A 103 -2.108 17.495 1.449 1.00 0.00 H new ATOM 0 HB2 TYR A 103 -0.255 16.233 0.935 1.00 0.00 H new ATOM 0 HB3 TYR A 103 0.806 17.127 2.007 1.00 0.00 H new ATOM 0 HD1 TYR A 103 -2.444 15.397 2.646 1.00 0.00 H new ATOM 0 HD2 TYR A 103 1.667 15.657 3.549 1.00 0.00 H new ATOM 0 HE1 TYR A 103 -2.740 13.766 4.424 1.00 0.00 H new ATOM 0 HE2 TYR A 103 1.392 13.971 5.300 1.00 0.00 H new ATOM 0 HH TYR A 103 0.030 12.682 6.415 1.00 0.00 H new ATOM 1582 N LYS A 104 -2.903 18.384 3.521 1.00 0.00 N ATOM 1583 CA LYS A 104 -3.525 18.688 4.777 1.00 0.00 C ATOM 1584 C LYS A 104 -4.350 17.480 5.229 1.00 0.00 C ATOM 1585 O LYS A 104 -5.494 17.357 4.843 1.00 0.00 O ATOM 1586 CB LYS A 104 -4.459 19.880 4.592 1.00 0.00 C ATOM 1587 CG LYS A 104 -3.786 21.160 4.116 1.00 0.00 C ATOM 1588 CD LYS A 104 -4.816 22.236 3.799 1.00 0.00 C ATOM 1589 CE LYS A 104 -5.645 21.892 2.559 1.00 0.00 C ATOM 1590 NZ LYS A 104 -6.754 22.855 2.348 1.00 0.00 N ATOM 0 H LYS A 104 -3.565 18.300 2.750 1.00 0.00 H new ATOM 0 HA LYS A 104 -2.764 18.921 5.522 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -5.234 19.607 3.875 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -4.958 20.081 5.540 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -3.102 21.522 4.884 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -3.188 20.952 3.229 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -5.480 22.365 4.654 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -4.309 23.188 3.643 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -4.999 21.885 1.681 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -6.053 20.886 2.663 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -6.847 23.061 1.333 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -7.642 22.444 2.701 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -6.552 23.736 2.863 1.00 0.00 H new ATOM 1604 N PRO A 105 -3.773 16.558 6.020 1.00 0.00 N ATOM 1605 CA PRO A 105 -4.472 15.331 6.466 1.00 0.00 C ATOM 1606 C PRO A 105 -5.696 15.634 7.328 1.00 0.00 C ATOM 1607 O PRO A 105 -6.597 14.821 7.445 1.00 0.00 O ATOM 1608 CB PRO A 105 -3.431 14.565 7.252 1.00 0.00 C ATOM 1609 CG PRO A 105 -2.417 15.576 7.611 1.00 0.00 C ATOM 1610 CD PRO A 105 -2.415 16.615 6.534 1.00 0.00 C ATOM 0 HA PRO A 105 -4.861 14.767 5.618 1.00 0.00 H new ATOM 0 HB2 PRO A 105 -3.864 14.105 8.140 1.00 0.00 H new ATOM 0 HB3 PRO A 105 -2.997 13.762 6.657 1.00 0.00 H new ATOM 0 HG2 PRO A 105 -2.649 16.025 8.577 1.00 0.00 H new ATOM 0 HG3 PRO A 105 -1.433 15.116 7.702 1.00 0.00 H new ATOM 0 HD2 PRO A 105 -2.174 17.603 6.927 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -1.681 16.392 5.760 1.00 0.00 H new ATOM 1618 N LYS A 106 -5.716 16.807 7.950 1.00 0.00 N ATOM 1619 CA LYS A 106 -6.919 17.301 8.642 1.00 0.00 C ATOM 1620 C LYS A 106 -8.113 17.356 7.681 1.00 0.00 C ATOM 1621 O LYS A 106 -9.252 17.374 8.093 1.00 0.00 O ATOM 1622 CB LYS A 106 -6.679 18.685 9.227 1.00 0.00 C ATOM 1623 CG LYS A 106 -6.274 19.719 8.191 1.00 0.00 C ATOM 1624 CD LYS A 106 -6.063 21.078 8.800 1.00 0.00 C ATOM 1625 CE LYS A 106 -7.351 21.694 9.357 1.00 0.00 C ATOM 1626 NZ LYS A 106 -8.440 21.781 8.347 1.00 0.00 N ATOM 0 H LYS A 106 -4.917 17.440 7.994 1.00 0.00 H new ATOM 0 HA LYS A 106 -7.142 16.607 9.452 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -7.587 19.021 9.729 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -5.900 18.619 9.987 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -5.357 19.397 7.698 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -7.044 19.782 7.422 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -5.328 21.000 9.602 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -5.644 21.746 8.047 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -7.695 21.099 10.203 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -7.135 22.693 9.736 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -9.077 22.566 8.590 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -8.029 21.948 7.406 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -8.976 20.890 8.337 1.00 0.00 H new ATOM 1640 N GLU A 107 -7.811 17.359 6.415 1.00 0.00 N ATOM 1641 CA GLU A 107 -8.750 17.443 5.353 1.00 0.00 C ATOM 1642 C GLU A 107 -8.527 16.264 4.417 1.00 0.00 C ATOM 1643 O GLU A 107 -8.651 16.398 3.218 1.00 0.00 O ATOM 1644 CB GLU A 107 -8.537 18.787 4.630 1.00 0.00 C ATOM 1645 CG GLU A 107 -9.002 19.987 5.447 1.00 0.00 C ATOM 1646 CD GLU A 107 -8.433 21.309 4.983 1.00 0.00 C ATOM 1647 OE1 GLU A 107 -8.751 21.771 3.860 1.00 0.00 O ATOM 1648 OE2 GLU A 107 -7.656 21.922 5.747 1.00 0.00 O ATOM 0 H GLU A 107 -6.847 17.299 6.086 1.00 0.00 H new ATOM 0 HA GLU A 107 -9.776 17.401 5.718 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -7.479 18.903 4.396 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -9.074 18.771 3.681 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -10.090 20.039 5.409 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -8.726 19.831 6.490 1.00 0.00 H new ATOM 1655 N ASP A 108 -8.179 15.096 4.987 1.00 0.00 N ATOM 1656 CA ASP A 108 -8.011 13.868 4.184 1.00 0.00 C ATOM 1657 C ASP A 108 -9.368 13.277 3.812 1.00 0.00 C ATOM 1658 O ASP A 108 -10.389 13.935 3.959 1.00 0.00 O ATOM 1659 CB ASP A 108 -7.078 12.789 4.845 1.00 0.00 C ATOM 1660 CG ASP A 108 -7.632 11.998 6.035 1.00 0.00 C ATOM 1661 OD1 ASP A 108 -8.518 11.144 5.856 1.00 0.00 O ATOM 1662 OD2 ASP A 108 -7.132 12.160 7.154 1.00 0.00 O ATOM 0 H ASP A 108 -8.010 14.975 5.986 1.00 0.00 H new ATOM 0 HA ASP A 108 -7.494 14.174 3.274 1.00 0.00 H new ATOM 0 HB2 ASP A 108 -6.792 12.075 4.073 1.00 0.00 H new ATOM 0 HB3 ASP A 108 -6.166 13.289 5.171 1.00 0.00 H new ATOM 1667 N THR A 109 -9.377 12.065 3.276 1.00 0.00 N ATOM 1668 CA THR A 109 -10.614 11.404 2.845 1.00 0.00 C ATOM 1669 C THR A 109 -11.617 11.239 4.003 1.00 0.00 C ATOM 1670 O THR A 109 -12.825 11.159 3.768 1.00 0.00 O ATOM 1671 CB THR A 109 -10.328 10.021 2.183 1.00 0.00 C ATOM 1672 OG1 THR A 109 -11.559 9.374 1.786 1.00 0.00 O ATOM 1673 CG2 THR A 109 -9.546 9.108 3.126 1.00 0.00 C ATOM 0 H THR A 109 -8.535 11.509 3.125 1.00 0.00 H new ATOM 0 HA THR A 109 -11.066 12.057 2.098 1.00 0.00 H new ATOM 0 HB THR A 109 -9.723 10.204 1.295 1.00 0.00 H new ATOM 0 HG1 THR A 109 -11.355 8.509 1.372 1.00 0.00 H new ATOM 0 HG21 THR A 109 -9.362 8.152 2.637 1.00 0.00 H new ATOM 0 HG22 THR A 109 -8.594 9.575 3.379 1.00 0.00 H new ATOM 0 HG23 THR A 109 -10.123 8.945 4.036 1.00 0.00 H new TER 1681 THR A 109