USER MOD reduce.3.24.130724 H: found=0, std=0, add=835, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 835 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 93 TYR OH : rot -155:sc= 0.969 USER MOD Set 1.2: A 97 HIS : no HE2:sc= 0.77 K(o=1.7,f=-5.2!) USER MOD Set 2.1: A 58 MET CE :methyl -151:sc= -2.6! (180deg=-3.69!) USER MOD Set 2.2: A 70 MET CE :methyl 141:sc= -0.0224 (180deg=-1.44!) USER MOD Single : A 1 MET CE :methyl -177:sc= -0.526 (180deg=-0.561) USER MOD Single : A 1 MET N :NH3+ 171:sc= -0.0505 (180deg=-0.132) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 6 LYS NZ :NH3+ -118:sc= 0.148 (180deg=0.0971) USER MOD Single : A 7 LYS NZ :NH3+ -168:sc= 0.382 (180deg=0.256) USER MOD Single : A 11 LYS NZ :NH3+ -150:sc= -0.328 (180deg=-1.41!) USER MOD Single : A 14 LYS NZ :NH3+ -176:sc= -0.516 (180deg=-0.597) USER MOD Single : A 20 THR OG1 : rot -24:sc= 0.469 USER MOD Single : A 33 LYS NZ :NH3+ 172:sc= -0.01 (180deg=-0.124) USER MOD Single : A 36 LYS NZ :NH3+ -140:sc= -0.484 (180deg=-2.52!) USER MOD Single : A 39 LYS NZ :NH3+ -140:sc= 0.611 (180deg=0.216) USER MOD Single : A 48 LYS NZ :NH3+ 134:sc= 1.23 (180deg=0.307) USER MOD Single : A 49 ASN : amide:sc= -0.697 K(o=-0.7,f=-0.085) USER MOD Single : A 50 MET CE :methyl -131:sc= -1.85! (180deg=-2.55) USER MOD Single : A 53 LYS NZ :NH3+ -106:sc= 0.199 (180deg=0) USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 MET CE :methyl -162:sc= -0.876 (180deg=-2.03) USER MOD Single : A 62 TYR OH : rot 97:sc= 0.48 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 ASN : amide:sc= -1.74 K(o=-1.7,f=-6.4!) USER MOD Single : A 72 GLN : amide:sc= -2.28! K(o=-2.3!,f=0) USER MOD Single : A 79 LYS NZ :NH3+ 175:sc= -0.0376 (180deg=-0.0729) USER MOD Single : A 82 LYS NZ :NH3+ 159:sc= -0.07 (180deg=-0.194) USER MOD Single : A 83 LYS NZ :NH3+ -166:sc= -0.0251 (180deg=-0.219) USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 96 HIS : no HD1:sc= 0 X(o=0,f=-0.016) USER MOD Single : A 98 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 99 HIS : no HE2:sc= 0.136 K(o=0.14,f=-0.9) USER MOD Single : A 100 HIS : no HD1:sc= -0.1 X(o=-0.1,f=0) USER MOD Single : A 101 HIS : no HE2:sc= 0 K(o=0,f=-1.6) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -11.428 -16.337 7.799 1.00 72.34 N ATOM 2 CA MET A 1 -11.241 -15.116 6.969 1.00 72.23 C ATOM 3 C MET A 1 -10.169 -15.354 5.870 1.00 43.45 C ATOM 4 O MET A 1 -9.164 -14.639 5.786 1.00 64.43 O ATOM 5 CB MET A 1 -10.926 -13.892 7.887 1.00 32.13 C ATOM 6 CG MET A 1 -9.740 -14.070 8.850 1.00 64.31 C ATOM 7 SD MET A 1 -9.601 -12.715 10.041 1.00 24.04 S ATOM 8 CE MET A 1 -9.441 -11.282 8.970 1.00 71.21 C ATOM 0 H1 MET A 1 -12.031 -16.112 8.616 1.00 72.34 H new ATOM 0 H2 MET A 1 -11.881 -17.079 7.228 1.00 72.34 H new ATOM 0 H3 MET A 1 -10.503 -16.674 8.134 1.00 72.34 H new ATOM 0 HA MET A 1 -12.166 -14.886 6.440 1.00 72.23 H new ATOM 0 HB2 MET A 1 -10.730 -13.027 7.254 1.00 32.13 H new ATOM 0 HB3 MET A 1 -11.816 -13.662 8.474 1.00 32.13 H new ATOM 0 HG2 MET A 1 -9.852 -15.011 9.388 1.00 64.31 H new ATOM 0 HG3 MET A 1 -8.817 -14.139 8.275 1.00 64.31 H new ATOM 0 HE1 MET A 1 -9.294 -10.389 9.577 1.00 71.21 H new ATOM 0 HE2 MET A 1 -8.585 -11.416 8.308 1.00 71.21 H new ATOM 0 HE3 MET A 1 -10.347 -11.171 8.374 1.00 71.21 H new ATOM 20 N GLN A 2 -10.429 -16.394 5.038 1.00 11.04 N ATOM 21 CA GLN A 2 -9.571 -16.828 3.902 1.00 12.40 C ATOM 22 C GLN A 2 -8.190 -17.417 4.352 1.00 62.24 C ATOM 23 O GLN A 2 -7.578 -16.958 5.323 1.00 63.41 O ATOM 24 CB GLN A 2 -9.415 -15.697 2.835 1.00 3.41 C ATOM 25 CG GLN A 2 -8.540 -16.057 1.606 1.00 42.13 C ATOM 26 CD GLN A 2 -9.056 -17.251 0.788 1.00 32.02 C ATOM 27 OE1 GLN A 2 -10.257 -17.477 0.670 1.00 34.43 O ATOM 28 NE2 GLN A 2 -8.153 -18.048 0.248 1.00 74.33 N ATOM 0 H GLN A 2 -11.264 -16.971 5.140 1.00 11.04 H new ATOM 0 HA GLN A 2 -10.095 -17.657 3.426 1.00 12.40 H new ATOM 0 HB2 GLN A 2 -10.407 -15.414 2.483 1.00 3.41 H new ATOM 0 HB3 GLN A 2 -8.987 -14.820 3.320 1.00 3.41 H new ATOM 0 HG2 GLN A 2 -8.475 -15.186 0.954 1.00 42.13 H new ATOM 0 HG3 GLN A 2 -7.528 -16.276 1.947 1.00 42.13 H new ATOM 0 HE21 GLN A 2 -7.160 -17.842 0.358 1.00 74.33 H new ATOM 0 HE22 GLN A 2 -8.448 -18.870 -0.279 1.00 74.33 H new ATOM 37 N GLU A 3 -7.735 -18.456 3.604 1.00 61.42 N ATOM 38 CA GLU A 3 -6.449 -19.168 3.820 1.00 33.32 C ATOM 39 C GLU A 3 -5.240 -18.202 3.920 1.00 14.22 C ATOM 40 O GLU A 3 -4.879 -17.542 2.937 1.00 5.11 O ATOM 41 CB GLU A 3 -6.217 -20.164 2.654 1.00 10.33 C ATOM 42 CG GLU A 3 -7.304 -21.250 2.497 1.00 35.42 C ATOM 43 CD GLU A 3 -7.175 -22.027 1.175 1.00 33.44 C ATOM 44 OE1 GLU A 3 -6.307 -22.914 1.073 1.00 61.31 O ATOM 45 OE2 GLU A 3 -7.918 -21.722 0.216 1.00 63.20 O ATOM 0 H GLU A 3 -8.265 -18.830 2.816 1.00 61.42 H new ATOM 0 HA GLU A 3 -6.522 -19.694 4.772 1.00 33.32 H new ATOM 0 HB2 GLU A 3 -6.150 -19.601 1.723 1.00 10.33 H new ATOM 0 HB3 GLU A 3 -5.254 -20.653 2.800 1.00 10.33 H new ATOM 0 HG2 GLU A 3 -7.239 -21.947 3.332 1.00 35.42 H new ATOM 0 HG3 GLU A 3 -8.288 -20.784 2.546 1.00 35.42 H new ATOM 52 N GLU A 4 -4.690 -18.095 5.146 1.00 72.42 N ATOM 53 CA GLU A 4 -3.479 -17.296 5.476 1.00 32.54 C ATOM 54 C GLU A 4 -3.682 -15.754 5.330 1.00 65.50 C ATOM 55 O GLU A 4 -2.785 -14.987 5.679 1.00 24.32 O ATOM 56 CB GLU A 4 -2.236 -17.783 4.657 1.00 53.31 C ATOM 57 CG GLU A 4 -0.874 -17.265 5.173 1.00 41.53 C ATOM 58 CD GLU A 4 0.308 -17.632 4.264 1.00 15.12 C ATOM 59 OE1 GLU A 4 0.559 -16.898 3.285 1.00 74.52 O ATOM 60 OE2 GLU A 4 0.985 -18.648 4.525 1.00 40.53 O ATOM 0 H GLU A 4 -5.081 -18.571 5.959 1.00 72.42 H new ATOM 0 HA GLU A 4 -3.289 -17.472 6.535 1.00 32.54 H new ATOM 0 HB2 GLU A 4 -2.220 -18.873 4.663 1.00 53.31 H new ATOM 0 HB3 GLU A 4 -2.358 -17.471 3.620 1.00 53.31 H new ATOM 0 HG2 GLU A 4 -0.921 -16.181 5.273 1.00 41.53 H new ATOM 0 HG3 GLU A 4 -0.695 -17.670 6.169 1.00 41.53 H new ATOM 67 N ARG A 5 -4.878 -15.299 4.874 1.00 22.21 N ATOM 68 CA ARG A 5 -5.142 -13.859 4.606 1.00 20.14 C ATOM 69 C ARG A 5 -4.951 -13.002 5.875 1.00 4.42 C ATOM 70 O ARG A 5 -4.550 -11.847 5.783 1.00 65.20 O ATOM 71 CB ARG A 5 -6.567 -13.644 4.033 1.00 71.31 C ATOM 72 CG ARG A 5 -6.823 -12.223 3.466 1.00 71.41 C ATOM 73 CD ARG A 5 -8.276 -12.000 2.992 1.00 45.45 C ATOM 74 NE ARG A 5 -9.227 -11.841 4.105 1.00 71.51 N ATOM 75 CZ ARG A 5 -10.510 -12.137 4.068 1.00 12.51 C ATOM 76 NH1 ARG A 5 -11.043 -12.713 3.042 1.00 23.24 N ATOM 77 NH2 ARG A 5 -11.260 -11.843 5.072 1.00 74.11 N ATOM 0 H ARG A 5 -5.674 -15.907 4.684 1.00 22.21 H new ATOM 0 HA ARG A 5 -4.415 -13.537 3.861 1.00 20.14 H new ATOM 0 HB2 ARG A 5 -6.741 -14.374 3.243 1.00 71.31 H new ATOM 0 HB3 ARG A 5 -7.295 -13.845 4.819 1.00 71.31 H new ATOM 0 HG2 ARG A 5 -6.582 -11.486 4.232 1.00 71.41 H new ATOM 0 HG3 ARG A 5 -6.146 -12.047 2.630 1.00 71.41 H new ATOM 0 HD2 ARG A 5 -8.314 -11.113 2.360 1.00 45.45 H new ATOM 0 HD3 ARG A 5 -8.585 -12.844 2.376 1.00 45.45 H new ATOM 0 HE ARG A 5 -8.860 -11.469 4.981 1.00 71.51 H new ATOM 0 HH11 ARG A 5 -10.467 -12.950 2.234 1.00 23.24 H new ATOM 0 HH12 ARG A 5 -12.039 -12.931 3.040 1.00 23.24 H new ATOM 0 HH21 ARG A 5 -10.860 -11.383 5.890 1.00 74.11 H new ATOM 0 HH22 ARG A 5 -12.254 -12.070 5.049 1.00 74.11 H new ATOM 91 N LYS A 6 -5.233 -13.603 7.051 1.00 0.43 N ATOM 92 CA LYS A 6 -5.034 -12.955 8.363 1.00 33.44 C ATOM 93 C LYS A 6 -3.540 -12.616 8.622 1.00 73.23 C ATOM 94 O LYS A 6 -3.218 -11.513 9.057 1.00 12.11 O ATOM 95 CB LYS A 6 -5.600 -13.844 9.503 1.00 20.00 C ATOM 96 CG LYS A 6 -5.506 -13.213 10.914 1.00 10.33 C ATOM 97 CD LYS A 6 -6.229 -11.840 11.004 1.00 35.01 C ATOM 98 CE LYS A 6 -6.101 -11.188 12.384 1.00 73.41 C ATOM 99 NZ LYS A 6 -4.691 -10.915 12.748 1.00 60.12 N ATOM 0 H LYS A 6 -5.605 -14.551 7.116 1.00 0.43 H new ATOM 0 HA LYS A 6 -5.583 -12.013 8.348 1.00 33.44 H new ATOM 0 HB2 LYS A 6 -6.645 -14.068 9.288 1.00 20.00 H new ATOM 0 HB3 LYS A 6 -5.064 -14.793 9.507 1.00 20.00 H new ATOM 0 HG2 LYS A 6 -5.940 -13.897 11.643 1.00 10.33 H new ATOM 0 HG3 LYS A 6 -4.457 -13.085 11.182 1.00 10.33 H new ATOM 0 HD2 LYS A 6 -5.817 -11.168 10.251 1.00 35.01 H new ATOM 0 HD3 LYS A 6 -7.285 -11.975 10.768 1.00 35.01 H new ATOM 0 HE2 LYS A 6 -6.664 -10.255 12.396 1.00 73.41 H new ATOM 0 HE3 LYS A 6 -6.548 -11.840 13.134 1.00 73.41 H new ATOM 0 HZ1 LYS A 6 -4.441 -11.457 13.600 1.00 60.12 H new ATOM 0 HZ2 LYS A 6 -4.069 -11.197 11.963 1.00 60.12 H new ATOM 0 HZ3 LYS A 6 -4.572 -9.899 12.937 1.00 60.12 H new ATOM 113 N LYS A 7 -2.644 -13.565 8.326 1.00 42.35 N ATOM 114 CA LYS A 7 -1.181 -13.374 8.523 1.00 74.21 C ATOM 115 C LYS A 7 -0.581 -12.481 7.410 1.00 33.32 C ATOM 116 O LYS A 7 0.326 -11.675 7.651 1.00 72.03 O ATOM 117 CB LYS A 7 -0.463 -14.753 8.567 1.00 22.25 C ATOM 118 CG LYS A 7 -1.125 -15.800 9.502 1.00 13.20 C ATOM 119 CD LYS A 7 -1.342 -15.298 10.950 1.00 33.02 C ATOM 120 CE LYS A 7 -0.035 -14.982 11.698 1.00 54.02 C ATOM 121 NZ LYS A 7 -0.305 -14.382 13.031 1.00 14.45 N ATOM 0 H LYS A 7 -2.896 -14.478 7.948 1.00 42.35 H new ATOM 0 HA LYS A 7 -1.026 -12.867 9.475 1.00 74.21 H new ATOM 0 HB2 LYS A 7 -0.426 -15.160 7.557 1.00 22.25 H new ATOM 0 HB3 LYS A 7 0.568 -14.601 8.887 1.00 22.25 H new ATOM 0 HG2 LYS A 7 -2.087 -16.092 9.081 1.00 13.20 H new ATOM 0 HG3 LYS A 7 -0.503 -16.695 9.527 1.00 13.20 H new ATOM 0 HD2 LYS A 7 -1.962 -14.402 10.925 1.00 33.02 H new ATOM 0 HD3 LYS A 7 -1.896 -16.053 11.508 1.00 33.02 H new ATOM 0 HE2 LYS A 7 0.547 -15.896 11.820 1.00 54.02 H new ATOM 0 HE3 LYS A 7 0.569 -14.296 11.104 1.00 54.02 H new ATOM 0 HZ1 LYS A 7 0.577 -13.996 13.423 1.00 14.45 H new ATOM 0 HZ2 LYS A 7 -1.004 -13.618 12.933 1.00 14.45 H new ATOM 0 HZ3 LYS A 7 -0.678 -15.112 13.671 1.00 14.45 H new ATOM 135 N LEU A 8 -1.132 -12.643 6.199 1.00 1.33 N ATOM 136 CA LEU A 8 -0.750 -11.880 4.994 1.00 31.23 C ATOM 137 C LEU A 8 -1.104 -10.379 5.151 1.00 14.11 C ATOM 138 O LEU A 8 -0.355 -9.502 4.702 1.00 11.02 O ATOM 139 CB LEU A 8 -1.477 -12.482 3.759 1.00 34.01 C ATOM 140 CG LEU A 8 -1.105 -11.886 2.358 1.00 12.25 C ATOM 141 CD1 LEU A 8 0.386 -12.133 2.005 1.00 33.24 C ATOM 142 CD2 LEU A 8 -2.046 -12.437 1.257 1.00 54.41 C ATOM 0 H LEU A 8 -1.872 -13.322 6.022 1.00 1.33 H new ATOM 0 HA LEU A 8 0.329 -11.953 4.855 1.00 31.23 H new ATOM 0 HB2 LEU A 8 -1.277 -13.553 3.736 1.00 34.01 H new ATOM 0 HB3 LEU A 8 -2.550 -12.361 3.905 1.00 34.01 H new ATOM 0 HG LEU A 8 -1.245 -10.806 2.411 1.00 12.25 H new ATOM 0 HD11 LEU A 8 0.604 -11.705 1.027 1.00 33.24 H new ATOM 0 HD12 LEU A 8 1.020 -11.663 2.756 1.00 33.24 H new ATOM 0 HD13 LEU A 8 0.582 -13.205 1.984 1.00 33.24 H new ATOM 0 HD21 LEU A 8 -1.768 -12.009 0.294 1.00 54.41 H new ATOM 0 HD22 LEU A 8 -1.956 -13.522 1.211 1.00 54.41 H new ATOM 0 HD23 LEU A 8 -3.076 -12.168 1.490 1.00 54.41 H new ATOM 154 N LEU A 9 -2.255 -10.097 5.803 1.00 44.03 N ATOM 155 CA LEU A 9 -2.698 -8.714 6.065 1.00 55.21 C ATOM 156 C LEU A 9 -1.891 -8.090 7.217 1.00 24.21 C ATOM 157 O LEU A 9 -1.615 -6.912 7.166 1.00 12.34 O ATOM 158 CB LEU A 9 -4.248 -8.620 6.298 1.00 22.45 C ATOM 159 CG LEU A 9 -4.871 -9.185 7.630 1.00 24.04 C ATOM 160 CD1 LEU A 9 -4.787 -8.184 8.809 1.00 12.54 C ATOM 161 CD2 LEU A 9 -6.332 -9.643 7.428 1.00 73.13 C ATOM 0 H LEU A 9 -2.892 -10.811 6.156 1.00 44.03 H new ATOM 0 HA LEU A 9 -2.496 -8.127 5.169 1.00 55.21 H new ATOM 0 HB2 LEU A 9 -4.525 -7.568 6.229 1.00 22.45 H new ATOM 0 HB3 LEU A 9 -4.734 -9.132 5.468 1.00 22.45 H new ATOM 0 HG LEU A 9 -4.264 -10.051 7.893 1.00 24.04 H new ATOM 0 HD11 LEU A 9 -5.232 -8.631 9.698 1.00 12.54 H new ATOM 0 HD12 LEU A 9 -3.743 -7.943 9.008 1.00 12.54 H new ATOM 0 HD13 LEU A 9 -5.327 -7.273 8.552 1.00 12.54 H new ATOM 0 HD21 LEU A 9 -6.727 -10.026 8.369 1.00 73.13 H new ATOM 0 HD22 LEU A 9 -6.936 -8.798 7.099 1.00 73.13 H new ATOM 0 HD23 LEU A 9 -6.366 -10.429 6.673 1.00 73.13 H new ATOM 173 N GLU A 10 -1.516 -8.891 8.246 1.00 51.30 N ATOM 174 CA GLU A 10 -0.702 -8.402 9.401 1.00 23.31 C ATOM 175 C GLU A 10 0.642 -7.789 8.942 1.00 73.30 C ATOM 176 O GLU A 10 1.023 -6.690 9.369 1.00 60.44 O ATOM 177 CB GLU A 10 -0.447 -9.552 10.423 1.00 1.55 C ATOM 178 CG GLU A 10 -1.671 -9.915 11.292 1.00 62.31 C ATOM 179 CD GLU A 10 -1.443 -11.130 12.213 1.00 24.52 C ATOM 180 OE1 GLU A 10 -0.558 -11.062 13.095 1.00 4.03 O ATOM 181 OE2 GLU A 10 -2.155 -12.154 12.075 1.00 61.00 O ATOM 0 H GLU A 10 -1.762 -9.879 8.305 1.00 51.30 H new ATOM 0 HA GLU A 10 -1.277 -7.615 9.889 1.00 23.31 H new ATOM 0 HB2 GLU A 10 -0.126 -10.441 9.879 1.00 1.55 H new ATOM 0 HB3 GLU A 10 0.376 -9.264 11.078 1.00 1.55 H new ATOM 0 HG2 GLU A 10 -1.939 -9.053 11.903 1.00 62.31 H new ATOM 0 HG3 GLU A 10 -2.520 -10.120 10.640 1.00 62.31 H new ATOM 188 N LYS A 11 1.351 -8.514 8.059 1.00 64.22 N ATOM 189 CA LYS A 11 2.620 -8.042 7.471 1.00 72.52 C ATOM 190 C LYS A 11 2.386 -6.879 6.463 1.00 54.01 C ATOM 191 O LYS A 11 3.251 -6.011 6.285 1.00 62.24 O ATOM 192 CB LYS A 11 3.400 -9.230 6.844 1.00 1.01 C ATOM 193 CG LYS A 11 2.688 -9.956 5.683 1.00 64.11 C ATOM 194 CD LYS A 11 3.432 -11.233 5.213 1.00 63.44 C ATOM 195 CE LYS A 11 4.887 -10.966 4.776 1.00 60.41 C ATOM 196 NZ LYS A 11 4.974 -9.996 3.653 1.00 43.51 N ATOM 0 H LYS A 11 1.064 -9.437 7.734 1.00 64.22 H new ATOM 0 HA LYS A 11 3.240 -7.630 8.268 1.00 72.52 H new ATOM 0 HB2 LYS A 11 4.360 -8.861 6.484 1.00 1.01 H new ATOM 0 HB3 LYS A 11 3.612 -9.957 7.628 1.00 1.01 H new ATOM 0 HG2 LYS A 11 1.679 -10.225 5.996 1.00 64.11 H new ATOM 0 HG3 LYS A 11 2.588 -9.271 4.841 1.00 64.11 H new ATOM 0 HD2 LYS A 11 3.431 -11.964 6.022 1.00 63.44 H new ATOM 0 HD3 LYS A 11 2.886 -11.678 4.381 1.00 63.44 H new ATOM 0 HE2 LYS A 11 5.454 -10.586 5.625 1.00 60.41 H new ATOM 0 HE3 LYS A 11 5.352 -11.906 4.477 1.00 60.41 H new ATOM 0 HZ1 LYS A 11 5.812 -10.209 3.075 1.00 43.51 H new ATOM 0 HZ2 LYS A 11 4.119 -10.068 3.065 1.00 43.51 H new ATOM 0 HZ3 LYS A 11 5.052 -9.031 4.033 1.00 43.51 H new ATOM 210 N LEU A 12 1.196 -6.870 5.826 1.00 21.44 N ATOM 211 CA LEU A 12 0.744 -5.764 4.942 1.00 14.40 C ATOM 212 C LEU A 12 0.444 -4.470 5.751 1.00 70.13 C ATOM 213 O LEU A 12 0.690 -3.364 5.265 1.00 13.42 O ATOM 214 CB LEU A 12 -0.523 -6.202 4.152 1.00 12.20 C ATOM 215 CG LEU A 12 -1.062 -5.199 3.083 1.00 42.33 C ATOM 216 CD1 LEU A 12 -0.089 -5.064 1.881 1.00 4.12 C ATOM 217 CD2 LEU A 12 -2.485 -5.588 2.616 1.00 54.10 C ATOM 0 H LEU A 12 0.518 -7.628 5.907 1.00 21.44 H new ATOM 0 HA LEU A 12 1.552 -5.542 4.244 1.00 14.40 H new ATOM 0 HB2 LEU A 12 -0.304 -7.146 3.653 1.00 12.20 H new ATOM 0 HB3 LEU A 12 -1.321 -6.397 4.869 1.00 12.20 H new ATOM 0 HG LEU A 12 -1.125 -4.220 3.558 1.00 42.33 H new ATOM 0 HD11 LEU A 12 -0.499 -4.358 1.159 1.00 4.12 H new ATOM 0 HD12 LEU A 12 0.877 -4.703 2.234 1.00 4.12 H new ATOM 0 HD13 LEU A 12 0.039 -6.036 1.405 1.00 4.12 H new ATOM 0 HD21 LEU A 12 -2.833 -4.871 1.872 1.00 54.10 H new ATOM 0 HD22 LEU A 12 -2.464 -6.585 2.177 1.00 54.10 H new ATOM 0 HD23 LEU A 12 -3.162 -5.582 3.470 1.00 54.10 H new ATOM 229 N GLU A 13 -0.078 -4.632 6.986 1.00 71.44 N ATOM 230 CA GLU A 13 -0.456 -3.505 7.880 1.00 61.21 C ATOM 231 C GLU A 13 0.764 -2.633 8.237 1.00 1.20 C ATOM 232 O GLU A 13 0.662 -1.400 8.260 1.00 71.44 O ATOM 233 CB GLU A 13 -1.145 -4.027 9.183 1.00 51.12 C ATOM 234 CG GLU A 13 -2.558 -4.628 8.991 1.00 61.32 C ATOM 235 CD GLU A 13 -3.643 -3.591 8.630 1.00 11.45 C ATOM 236 OE1 GLU A 13 -3.734 -3.174 7.451 1.00 31.33 O ATOM 237 OE2 GLU A 13 -4.404 -3.170 9.536 1.00 14.12 O ATOM 0 H GLU A 13 -0.251 -5.549 7.397 1.00 71.44 H new ATOM 0 HA GLU A 13 -1.168 -2.886 7.334 1.00 61.21 H new ATOM 0 HB2 GLU A 13 -0.504 -4.785 9.634 1.00 51.12 H new ATOM 0 HB3 GLU A 13 -1.212 -3.203 9.893 1.00 51.12 H new ATOM 0 HG2 GLU A 13 -2.516 -5.382 8.205 1.00 61.32 H new ATOM 0 HG3 GLU A 13 -2.851 -5.139 9.908 1.00 61.32 H new ATOM 244 N LYS A 14 1.914 -3.287 8.515 1.00 60.23 N ATOM 245 CA LYS A 14 3.187 -2.577 8.775 1.00 61.21 C ATOM 246 C LYS A 14 3.596 -1.733 7.549 1.00 21.31 C ATOM 247 O LYS A 14 3.940 -0.563 7.695 1.00 41.42 O ATOM 248 CB LYS A 14 4.333 -3.566 9.125 1.00 44.32 C ATOM 249 CG LYS A 14 5.642 -2.872 9.613 1.00 75.21 C ATOM 250 CD LYS A 14 6.874 -3.824 9.696 1.00 64.34 C ATOM 251 CE LYS A 14 7.669 -3.935 8.373 1.00 20.15 C ATOM 252 NZ LYS A 14 6.809 -4.244 7.200 1.00 73.12 N ATOM 0 H LYS A 14 1.987 -4.303 8.565 1.00 60.23 H new ATOM 0 HA LYS A 14 3.023 -1.922 9.631 1.00 61.21 H new ATOM 0 HB2 LYS A 14 3.986 -4.249 9.900 1.00 44.32 H new ATOM 0 HB3 LYS A 14 4.560 -4.169 8.246 1.00 44.32 H new ATOM 0 HG2 LYS A 14 5.877 -2.049 8.938 1.00 75.21 H new ATOM 0 HG3 LYS A 14 5.465 -2.437 10.597 1.00 75.21 H new ATOM 0 HD2 LYS A 14 7.542 -3.471 10.482 1.00 64.34 H new ATOM 0 HD3 LYS A 14 6.534 -4.817 9.989 1.00 64.34 H new ATOM 0 HE2 LYS A 14 8.196 -2.998 8.193 1.00 20.15 H new ATOM 0 HE3 LYS A 14 8.427 -4.712 8.475 1.00 20.15 H new ATOM 0 HZ1 LYS A 14 7.405 -4.373 6.357 1.00 73.12 H new ATOM 0 HZ2 LYS A 14 6.274 -5.117 7.382 1.00 73.12 H new ATOM 0 HZ3 LYS A 14 6.146 -3.459 7.039 1.00 73.12 H new ATOM 266 N ILE A 15 3.515 -2.346 6.346 1.00 32.23 N ATOM 267 CA ILE A 15 3.873 -1.676 5.072 1.00 22.11 C ATOM 268 C ILE A 15 2.993 -0.431 4.837 1.00 62.02 C ATOM 269 O ILE A 15 3.512 0.641 4.597 1.00 74.21 O ATOM 270 CB ILE A 15 3.754 -2.642 3.831 1.00 12.45 C ATOM 271 CG1 ILE A 15 4.602 -3.934 4.047 1.00 44.24 C ATOM 272 CG2 ILE A 15 4.177 -1.923 2.520 1.00 44.21 C ATOM 273 CD1 ILE A 15 4.565 -4.934 2.899 1.00 22.31 C ATOM 0 H ILE A 15 3.203 -3.310 6.230 1.00 32.23 H new ATOM 0 HA ILE A 15 4.916 -1.374 5.166 1.00 22.11 H new ATOM 0 HB ILE A 15 2.708 -2.932 3.735 1.00 12.45 H new ATOM 0 HG12 ILE A 15 5.638 -3.644 4.222 1.00 44.24 H new ATOM 0 HG13 ILE A 15 4.253 -4.431 4.952 1.00 44.24 H new ATOM 0 HG21 ILE A 15 4.085 -2.613 1.681 1.00 44.21 H new ATOM 0 HG22 ILE A 15 3.531 -1.061 2.353 1.00 44.21 H new ATOM 0 HG23 ILE A 15 5.212 -1.591 2.605 1.00 44.21 H new ATOM 0 HD11 ILE A 15 5.185 -5.795 3.147 1.00 22.31 H new ATOM 0 HD12 ILE A 15 3.538 -5.261 2.734 1.00 22.31 H new ATOM 0 HD13 ILE A 15 4.945 -4.462 1.993 1.00 22.31 H new ATOM 285 N LEU A 16 1.660 -0.601 4.946 1.00 3.33 N ATOM 286 CA LEU A 16 0.660 0.491 4.766 1.00 34.41 C ATOM 287 C LEU A 16 0.844 1.624 5.805 1.00 32.34 C ATOM 288 O LEU A 16 0.568 2.795 5.513 1.00 13.22 O ATOM 289 CB LEU A 16 -0.791 -0.094 4.808 1.00 52.23 C ATOM 290 CG LEU A 16 -1.378 -0.596 3.439 1.00 75.12 C ATOM 291 CD1 LEU A 16 -0.377 -1.472 2.656 1.00 12.25 C ATOM 292 CD2 LEU A 16 -2.721 -1.343 3.648 1.00 71.04 C ATOM 0 H LEU A 16 1.236 -1.503 5.163 1.00 3.33 H new ATOM 0 HA LEU A 16 0.825 0.939 3.786 1.00 34.41 H new ATOM 0 HB2 LEU A 16 -0.804 -0.926 5.512 1.00 52.23 H new ATOM 0 HB3 LEU A 16 -1.457 0.671 5.206 1.00 52.23 H new ATOM 0 HG LEU A 16 -1.567 0.290 2.834 1.00 75.12 H new ATOM 0 HD11 LEU A 16 -0.831 -1.793 1.718 1.00 12.25 H new ATOM 0 HD12 LEU A 16 0.523 -0.895 2.445 1.00 12.25 H new ATOM 0 HD13 LEU A 16 -0.116 -2.347 3.251 1.00 12.25 H new ATOM 0 HD21 LEU A 16 -3.104 -1.679 2.685 1.00 71.04 H new ATOM 0 HD22 LEU A 16 -2.561 -2.205 4.296 1.00 71.04 H new ATOM 0 HD23 LEU A 16 -3.443 -0.671 4.111 1.00 71.04 H new ATOM 304 N ASP A 17 1.324 1.263 7.004 1.00 15.35 N ATOM 305 CA ASP A 17 1.662 2.239 8.057 1.00 70.54 C ATOM 306 C ASP A 17 2.966 3.010 7.694 1.00 21.22 C ATOM 307 O ASP A 17 3.127 4.184 8.034 1.00 62.52 O ATOM 308 CB ASP A 17 1.802 1.507 9.417 1.00 4.14 C ATOM 309 CG ASP A 17 1.821 2.462 10.622 1.00 55.30 C ATOM 310 OD1 ASP A 17 0.740 2.952 11.013 1.00 53.35 O ATOM 311 OD2 ASP A 17 2.904 2.731 11.181 1.00 5.04 O ATOM 0 H ASP A 17 1.489 0.293 7.273 1.00 15.35 H new ATOM 0 HA ASP A 17 0.860 2.973 8.137 1.00 70.54 H new ATOM 0 HB2 ASP A 17 0.976 0.806 9.531 1.00 4.14 H new ATOM 0 HB3 ASP A 17 2.720 0.920 9.413 1.00 4.14 H new ATOM 316 N GLU A 18 3.889 2.318 7.001 1.00 31.43 N ATOM 317 CA GLU A 18 5.134 2.913 6.457 1.00 31.31 C ATOM 318 C GLU A 18 4.868 3.694 5.137 1.00 61.42 C ATOM 319 O GLU A 18 5.684 4.525 4.751 1.00 33.42 O ATOM 320 CB GLU A 18 6.187 1.807 6.202 1.00 5.14 C ATOM 321 CG GLU A 18 6.662 1.044 7.454 1.00 61.54 C ATOM 322 CD GLU A 18 7.495 -0.202 7.098 1.00 24.43 C ATOM 323 OE1 GLU A 18 6.896 -1.218 6.679 1.00 4.22 O ATOM 324 OE2 GLU A 18 8.743 -0.169 7.212 1.00 33.50 O ATOM 0 H GLU A 18 3.796 1.323 6.799 1.00 31.43 H new ATOM 0 HA GLU A 18 5.513 3.617 7.198 1.00 31.31 H new ATOM 0 HB2 GLU A 18 5.771 1.089 5.496 1.00 5.14 H new ATOM 0 HB3 GLU A 18 7.055 2.259 5.722 1.00 5.14 H new ATOM 0 HG2 GLU A 18 7.257 1.710 8.079 1.00 61.54 H new ATOM 0 HG3 GLU A 18 5.796 0.743 8.044 1.00 61.54 H new ATOM 331 N VAL A 19 3.757 3.379 4.428 1.00 13.13 N ATOM 332 CA VAL A 19 3.321 4.146 3.230 1.00 31.13 C ATOM 333 C VAL A 19 2.792 5.530 3.662 1.00 42.40 C ATOM 334 O VAL A 19 3.150 6.537 3.064 1.00 3.34 O ATOM 335 CB VAL A 19 2.227 3.392 2.372 1.00 41.55 C ATOM 336 CG1 VAL A 19 1.793 4.241 1.159 1.00 35.13 C ATOM 337 CG2 VAL A 19 2.726 2.010 1.886 1.00 42.41 C ATOM 0 H VAL A 19 3.144 2.598 4.664 1.00 13.13 H new ATOM 0 HA VAL A 19 4.196 4.259 2.590 1.00 31.13 H new ATOM 0 HB VAL A 19 1.369 3.235 3.025 1.00 41.55 H new ATOM 0 HG11 VAL A 19 1.040 3.699 0.586 1.00 35.13 H new ATOM 0 HG12 VAL A 19 1.374 5.185 1.507 1.00 35.13 H new ATOM 0 HG13 VAL A 19 2.658 4.439 0.526 1.00 35.13 H new ATOM 0 HG21 VAL A 19 1.944 1.526 1.301 1.00 42.41 H new ATOM 0 HG22 VAL A 19 3.614 2.141 1.267 1.00 42.41 H new ATOM 0 HG23 VAL A 19 2.972 1.389 2.747 1.00 42.41 H new ATOM 347 N THR A 20 1.951 5.560 4.720 1.00 61.14 N ATOM 348 CA THR A 20 1.438 6.826 5.316 1.00 74.53 C ATOM 349 C THR A 20 2.596 7.647 5.947 1.00 2.31 C ATOM 350 O THR A 20 2.624 8.877 5.856 1.00 21.25 O ATOM 351 CB THR A 20 0.336 6.560 6.409 1.00 54.12 C ATOM 352 OG1 THR A 20 0.895 5.823 7.511 1.00 54.43 O ATOM 353 CG2 THR A 20 -0.871 5.785 5.844 1.00 72.40 C ATOM 0 H THR A 20 1.608 4.719 5.185 1.00 61.14 H new ATOM 0 HA THR A 20 0.986 7.394 4.503 1.00 74.53 H new ATOM 0 HB THR A 20 -0.016 7.534 6.748 1.00 54.12 H new ATOM 0 HG1 THR A 20 1.683 5.327 7.206 1.00 54.43 H new ATOM 0 HG21 THR A 20 -1.604 5.626 6.635 1.00 72.40 H new ATOM 0 HG22 THR A 20 -1.327 6.359 5.037 1.00 72.40 H new ATOM 0 HG23 THR A 20 -0.537 4.821 5.460 1.00 72.40 H new ATOM 361 N ASP A 21 3.552 6.937 6.574 1.00 42.14 N ATOM 362 CA ASP A 21 4.765 7.538 7.178 1.00 44.03 C ATOM 363 C ASP A 21 5.735 8.101 6.097 1.00 14.11 C ATOM 364 O ASP A 21 6.251 9.213 6.231 1.00 70.42 O ATOM 365 CB ASP A 21 5.471 6.471 8.050 1.00 70.22 C ATOM 366 CG ASP A 21 6.748 6.977 8.736 1.00 4.54 C ATOM 367 OD1 ASP A 21 6.639 7.762 9.702 1.00 42.15 O ATOM 368 OD2 ASP A 21 7.865 6.592 8.318 1.00 71.31 O ATOM 0 H ASP A 21 3.508 5.923 6.679 1.00 42.14 H new ATOM 0 HA ASP A 21 4.465 8.383 7.798 1.00 44.03 H new ATOM 0 HB2 ASP A 21 4.775 6.120 8.812 1.00 70.22 H new ATOM 0 HB3 ASP A 21 5.721 5.613 7.426 1.00 70.22 H new ATOM 373 N GLY A 22 5.953 7.317 5.030 1.00 32.44 N ATOM 374 CA GLY A 22 6.865 7.691 3.927 1.00 74.04 C ATOM 375 C GLY A 22 6.199 8.537 2.838 1.00 23.02 C ATOM 376 O GLY A 22 6.834 8.873 1.836 1.00 45.52 O ATOM 0 H GLY A 22 5.506 6.409 4.903 1.00 32.44 H new ATOM 0 HA2 GLY A 22 7.710 8.243 4.338 1.00 74.04 H new ATOM 0 HA3 GLY A 22 7.266 6.784 3.475 1.00 74.04 H new ATOM 380 N ALA A 23 4.913 8.867 3.040 1.00 74.31 N ATOM 381 CA ALA A 23 4.152 9.769 2.158 1.00 73.44 C ATOM 382 C ALA A 23 4.389 11.246 2.534 1.00 70.42 C ATOM 383 O ALA A 23 4.568 11.557 3.717 1.00 13.02 O ATOM 384 CB ALA A 23 2.658 9.471 2.275 1.00 42.54 C ATOM 0 H ALA A 23 4.367 8.513 3.826 1.00 74.31 H new ATOM 0 HA ALA A 23 4.494 9.602 1.137 1.00 73.44 H new ATOM 0 HB1 ALA A 23 2.101 10.141 1.620 1.00 42.54 H new ATOM 0 HB2 ALA A 23 2.469 8.438 1.982 1.00 42.54 H new ATOM 0 HB3 ALA A 23 2.337 9.621 3.306 1.00 42.54 H new ATOM 390 N PRO A 24 4.364 12.190 1.544 1.00 74.51 N ATOM 391 CA PRO A 24 4.253 13.631 1.848 1.00 31.41 C ATOM 392 C PRO A 24 2.837 13.950 2.391 1.00 71.24 C ATOM 393 O PRO A 24 1.864 13.297 1.998 1.00 1.12 O ATOM 394 CB PRO A 24 4.520 14.309 0.479 1.00 44.21 C ATOM 395 CG PRO A 24 4.106 13.285 -0.534 1.00 41.23 C ATOM 396 CD PRO A 24 4.448 11.940 0.075 1.00 32.14 C ATOM 0 HA PRO A 24 4.946 13.977 2.615 1.00 31.41 H new ATOM 0 HB2 PRO A 24 3.944 15.228 0.372 1.00 44.21 H new ATOM 0 HB3 PRO A 24 5.571 14.576 0.367 1.00 44.21 H new ATOM 0 HG2 PRO A 24 3.040 13.357 -0.750 1.00 41.23 H new ATOM 0 HG3 PRO A 24 4.633 13.433 -1.477 1.00 41.23 H new ATOM 0 HD2 PRO A 24 3.748 11.167 -0.241 1.00 32.14 H new ATOM 0 HD3 PRO A 24 5.444 11.608 -0.219 1.00 32.14 H new ATOM 404 N ASP A 25 2.736 14.956 3.277 1.00 24.14 N ATOM 405 CA ASP A 25 1.475 15.344 3.969 1.00 61.42 C ATOM 406 C ASP A 25 0.282 15.551 2.973 1.00 3.14 C ATOM 407 O ASP A 25 -0.878 15.248 3.294 1.00 41.42 O ATOM 408 CB ASP A 25 1.758 16.628 4.800 1.00 72.02 C ATOM 409 CG ASP A 25 0.596 17.055 5.711 1.00 11.04 C ATOM 410 OD1 ASP A 25 0.426 16.453 6.790 1.00 54.03 O ATOM 411 OD2 ASP A 25 -0.133 18.015 5.369 1.00 13.15 O ATOM 0 H ASP A 25 3.533 15.535 3.542 1.00 24.14 H new ATOM 0 HA ASP A 25 1.164 14.533 4.627 1.00 61.42 H new ATOM 0 HB2 ASP A 25 2.644 16.463 5.413 1.00 72.02 H new ATOM 0 HB3 ASP A 25 1.990 17.446 4.118 1.00 72.02 H new ATOM 416 N GLU A 26 0.615 16.026 1.759 1.00 42.24 N ATOM 417 CA GLU A 26 -0.343 16.252 0.647 1.00 43.30 C ATOM 418 C GLU A 26 -0.947 14.920 0.085 1.00 11.31 C ATOM 419 O GLU A 26 -2.170 14.762 0.026 1.00 53.44 O ATOM 420 CB GLU A 26 0.379 17.064 -0.478 1.00 40.52 C ATOM 421 CG GLU A 26 1.646 16.385 -1.056 1.00 1.42 C ATOM 422 CD GLU A 26 2.412 17.241 -2.075 1.00 44.40 C ATOM 423 OE1 GLU A 26 2.022 17.260 -3.262 1.00 62.02 O ATOM 424 OE2 GLU A 26 3.409 17.895 -1.690 1.00 72.41 O ATOM 0 H GLU A 26 1.574 16.270 1.513 1.00 42.24 H new ATOM 0 HA GLU A 26 -1.190 16.819 1.033 1.00 43.30 H new ATOM 0 HB2 GLU A 26 -0.326 17.238 -1.291 1.00 40.52 H new ATOM 0 HB3 GLU A 26 0.656 18.041 -0.081 1.00 40.52 H new ATOM 0 HG2 GLU A 26 2.316 16.133 -0.234 1.00 1.42 H new ATOM 0 HG3 GLU A 26 1.357 15.447 -1.531 1.00 1.42 H new ATOM 431 N ALA A 27 -0.076 13.951 -0.283 1.00 15.24 N ATOM 432 CA ALA A 27 -0.496 12.671 -0.916 1.00 1.22 C ATOM 433 C ALA A 27 -0.948 11.632 0.129 1.00 41.20 C ATOM 434 O ALA A 27 -1.604 10.641 -0.210 1.00 35.14 O ATOM 435 CB ALA A 27 0.648 12.104 -1.778 1.00 51.50 C ATOM 0 H ALA A 27 0.932 14.030 -0.152 1.00 15.24 H new ATOM 0 HA ALA A 27 -1.354 12.885 -1.554 1.00 1.22 H new ATOM 0 HB1 ALA A 27 0.329 11.168 -2.236 1.00 51.50 H new ATOM 0 HB2 ALA A 27 0.905 12.820 -2.558 1.00 51.50 H new ATOM 0 HB3 ALA A 27 1.521 11.922 -1.151 1.00 51.50 H new ATOM 441 N ARG A 28 -0.602 11.899 1.406 1.00 3.10 N ATOM 442 CA ARG A 28 -0.919 11.015 2.545 1.00 31.44 C ATOM 443 C ARG A 28 -2.442 10.836 2.719 1.00 71.13 C ATOM 444 O ARG A 28 -2.893 9.793 3.162 1.00 12.11 O ATOM 445 CB ARG A 28 -0.301 11.585 3.853 1.00 22.34 C ATOM 446 CG ARG A 28 -0.156 10.549 4.986 1.00 62.35 C ATOM 447 CD ARG A 28 0.245 11.173 6.332 1.00 10.14 C ATOM 448 NE ARG A 28 -0.890 11.834 6.988 1.00 13.44 N ATOM 449 CZ ARG A 28 -0.952 12.163 8.255 1.00 74.24 C ATOM 450 NH1 ARG A 28 0.066 12.015 9.047 1.00 51.32 N ATOM 451 NH2 ARG A 28 -2.060 12.624 8.723 1.00 22.23 N ATOM 0 H ARG A 28 -0.092 12.740 1.676 1.00 3.10 H new ATOM 0 HA ARG A 28 -0.487 10.036 2.335 1.00 31.44 H new ATOM 0 HB2 ARG A 28 0.681 12.000 3.627 1.00 22.34 H new ATOM 0 HB3 ARG A 28 -0.921 12.409 4.206 1.00 22.34 H new ATOM 0 HG2 ARG A 28 -1.100 10.018 5.106 1.00 62.35 H new ATOM 0 HG3 ARG A 28 0.591 9.809 4.699 1.00 62.35 H new ATOM 0 HD2 ARG A 28 0.642 10.398 6.988 1.00 10.14 H new ATOM 0 HD3 ARG A 28 1.044 11.897 6.173 1.00 10.14 H new ATOM 0 HE ARG A 28 -1.699 12.056 6.408 1.00 13.44 H new ATOM 0 HH11 ARG A 28 0.941 11.635 8.687 1.00 51.32 H new ATOM 0 HH12 ARG A 28 -0.009 12.279 10.029 1.00 51.32 H new ATOM 0 HH21 ARG A 28 -2.869 12.727 8.110 1.00 22.23 H new ATOM 0 HH22 ARG A 28 -2.129 12.886 9.706 1.00 22.23 H new ATOM 465 N GLU A 29 -3.206 11.878 2.346 1.00 31.24 N ATOM 466 CA GLU A 29 -4.687 11.893 2.412 1.00 74.44 C ATOM 467 C GLU A 29 -5.327 10.706 1.659 1.00 4.30 C ATOM 468 O GLU A 29 -6.114 9.935 2.230 1.00 74.34 O ATOM 469 CB GLU A 29 -5.214 13.224 1.813 1.00 44.31 C ATOM 470 CG GLU A 29 -4.653 14.487 2.488 1.00 33.13 C ATOM 471 CD GLU A 29 -4.937 14.529 3.993 1.00 13.54 C ATOM 472 OE1 GLU A 29 -6.112 14.734 4.375 1.00 0.03 O ATOM 473 OE2 GLU A 29 -3.997 14.355 4.797 1.00 43.42 O ATOM 0 H GLU A 29 -2.812 12.747 1.985 1.00 31.24 H new ATOM 0 HA GLU A 29 -4.967 11.803 3.462 1.00 74.44 H new ATOM 0 HB2 GLU A 29 -4.968 13.254 0.751 1.00 44.31 H new ATOM 0 HB3 GLU A 29 -6.301 13.238 1.889 1.00 44.31 H new ATOM 0 HG2 GLU A 29 -3.576 14.534 2.324 1.00 33.13 H new ATOM 0 HG3 GLU A 29 -5.086 15.369 2.016 1.00 33.13 H new ATOM 480 N ARG A 30 -4.960 10.577 0.375 1.00 12.23 N ATOM 481 CA ARG A 30 -5.469 9.514 -0.513 1.00 3.42 C ATOM 482 C ARG A 30 -5.038 8.108 -0.015 1.00 71.40 C ATOM 483 O ARG A 30 -5.786 7.132 -0.147 1.00 20.42 O ATOM 484 CB ARG A 30 -4.964 9.767 -1.963 1.00 4.21 C ATOM 485 CG ARG A 30 -5.493 8.768 -3.016 1.00 13.21 C ATOM 486 CD ARG A 30 -7.029 8.793 -3.161 1.00 70.01 C ATOM 487 NE ARG A 30 -7.521 7.689 -4.001 1.00 25.25 N ATOM 488 CZ ARG A 30 -8.714 7.612 -4.551 1.00 74.52 C ATOM 489 NH1 ARG A 30 -9.574 8.580 -4.445 1.00 73.12 N ATOM 490 NH2 ARG A 30 -9.038 6.552 -5.221 1.00 61.22 N ATOM 0 H ARG A 30 -4.300 11.207 -0.081 1.00 12.23 H new ATOM 0 HA ARG A 30 -6.559 9.540 -0.502 1.00 3.42 H new ATOM 0 HB2 ARG A 30 -5.251 10.775 -2.262 1.00 4.21 H new ATOM 0 HB3 ARG A 30 -3.875 9.732 -1.965 1.00 4.21 H new ATOM 0 HG2 ARG A 30 -5.040 8.994 -3.981 1.00 13.21 H new ATOM 0 HG3 ARG A 30 -5.177 7.761 -2.743 1.00 13.21 H new ATOM 0 HD2 ARG A 30 -7.487 8.730 -2.174 1.00 70.01 H new ATOM 0 HD3 ARG A 30 -7.337 9.744 -3.595 1.00 70.01 H new ATOM 0 HE ARG A 30 -6.880 6.914 -4.172 1.00 25.25 H new ATOM 0 HH11 ARG A 30 -9.331 9.424 -3.926 1.00 73.12 H new ATOM 0 HH12 ARG A 30 -10.493 8.496 -4.881 1.00 73.12 H new ATOM 0 HH21 ARG A 30 -8.371 5.787 -5.319 1.00 61.22 H new ATOM 0 HH22 ARG A 30 -9.960 6.483 -5.651 1.00 61.22 H new ATOM 504 N ILE A 31 -3.836 8.041 0.574 1.00 30.44 N ATOM 505 CA ILE A 31 -3.265 6.795 1.126 1.00 71.24 C ATOM 506 C ILE A 31 -4.010 6.324 2.395 1.00 72.50 C ATOM 507 O ILE A 31 -4.393 5.162 2.487 1.00 52.52 O ATOM 508 CB ILE A 31 -1.734 6.980 1.430 1.00 52.21 C ATOM 509 CG1 ILE A 31 -0.973 7.292 0.103 1.00 63.42 C ATOM 510 CG2 ILE A 31 -1.148 5.738 2.151 1.00 1.43 C ATOM 511 CD1 ILE A 31 0.496 7.625 0.246 1.00 40.43 C ATOM 0 H ILE A 31 -3.226 8.851 0.684 1.00 30.44 H new ATOM 0 HA ILE A 31 -3.389 6.021 0.369 1.00 71.24 H new ATOM 0 HB ILE A 31 -1.606 7.823 2.109 1.00 52.21 H new ATOM 0 HG12 ILE A 31 -1.068 6.431 -0.558 1.00 63.42 H new ATOM 0 HG13 ILE A 31 -1.469 8.128 -0.390 1.00 63.42 H new ATOM 0 HG21 ILE A 31 -0.088 5.898 2.347 1.00 1.43 H new ATOM 0 HG22 ILE A 31 -1.672 5.584 3.094 1.00 1.43 H new ATOM 0 HG23 ILE A 31 -1.272 4.858 1.519 1.00 1.43 H new ATOM 0 HD11 ILE A 31 0.922 7.823 -0.738 1.00 40.43 H new ATOM 0 HD12 ILE A 31 0.609 8.508 0.875 1.00 40.43 H new ATOM 0 HD13 ILE A 31 1.017 6.784 0.704 1.00 40.43 H new ATOM 523 N GLU A 32 -4.212 7.236 3.364 1.00 64.31 N ATOM 524 CA GLU A 32 -4.919 6.921 4.635 1.00 11.44 C ATOM 525 C GLU A 32 -6.388 6.526 4.368 1.00 72.45 C ATOM 526 O GLU A 32 -7.000 5.786 5.146 1.00 74.04 O ATOM 527 CB GLU A 32 -4.864 8.132 5.601 1.00 33.22 C ATOM 528 CG GLU A 32 -3.447 8.543 6.047 1.00 54.02 C ATOM 529 CD GLU A 32 -3.446 9.779 6.962 1.00 45.23 C ATOM 530 OE1 GLU A 32 -3.646 10.911 6.451 1.00 21.42 O ATOM 531 OE2 GLU A 32 -3.268 9.629 8.192 1.00 50.43 O ATOM 0 H GLU A 32 -3.897 8.204 3.297 1.00 64.31 H new ATOM 0 HA GLU A 32 -4.413 6.074 5.099 1.00 11.44 H new ATOM 0 HB2 GLU A 32 -5.339 8.986 5.117 1.00 33.22 H new ATOM 0 HB3 GLU A 32 -5.454 7.899 6.487 1.00 33.22 H new ATOM 0 HG2 GLU A 32 -2.979 7.709 6.570 1.00 54.02 H new ATOM 0 HG3 GLU A 32 -2.839 8.748 5.166 1.00 54.02 H new ATOM 538 N LYS A 33 -6.942 7.053 3.263 1.00 53.55 N ATOM 539 CA LYS A 33 -8.284 6.692 2.798 1.00 1.01 C ATOM 540 C LYS A 33 -8.294 5.264 2.197 1.00 13.02 C ATOM 541 O LYS A 33 -8.997 4.387 2.709 1.00 41.22 O ATOM 542 CB LYS A 33 -8.772 7.741 1.759 1.00 1.24 C ATOM 543 CG LYS A 33 -10.169 7.455 1.125 1.00 73.14 C ATOM 544 CD LYS A 33 -10.105 7.056 -0.375 1.00 23.33 C ATOM 545 CE LYS A 33 -11.478 6.640 -0.928 1.00 64.42 C ATOM 546 NZ LYS A 33 -12.537 7.642 -0.625 1.00 54.42 N ATOM 0 H LYS A 33 -6.471 7.738 2.672 1.00 53.55 H new ATOM 0 HA LYS A 33 -8.968 6.693 3.647 1.00 1.01 H new ATOM 0 HB2 LYS A 33 -8.804 8.718 2.242 1.00 1.24 H new ATOM 0 HB3 LYS A 33 -8.035 7.805 0.959 1.00 1.24 H new ATOM 0 HG2 LYS A 33 -10.655 6.655 1.684 1.00 73.14 H new ATOM 0 HG3 LYS A 33 -10.794 8.342 1.229 1.00 73.14 H new ATOM 0 HD2 LYS A 33 -9.721 7.895 -0.956 1.00 23.33 H new ATOM 0 HD3 LYS A 33 -9.401 6.233 -0.500 1.00 23.33 H new ATOM 0 HE2 LYS A 33 -11.407 6.505 -2.007 1.00 64.42 H new ATOM 0 HE3 LYS A 33 -11.761 5.676 -0.504 1.00 64.42 H new ATOM 0 HZ1 LYS A 33 -13.410 7.388 -1.130 1.00 54.42 H new ATOM 0 HZ2 LYS A 33 -12.720 7.655 0.399 1.00 54.42 H new ATOM 0 HZ3 LYS A 33 -12.221 8.584 -0.932 1.00 54.42 H new ATOM 560 N LEU A 34 -7.460 5.018 1.159 1.00 0.13 N ATOM 561 CA LEU A 34 -7.478 3.735 0.407 1.00 44.34 C ATOM 562 C LEU A 34 -6.988 2.551 1.266 1.00 75.41 C ATOM 563 O LEU A 34 -7.606 1.489 1.261 1.00 52.21 O ATOM 564 CB LEU A 34 -6.645 3.800 -0.902 1.00 41.40 C ATOM 565 CG LEU A 34 -6.751 2.519 -1.810 1.00 74.12 C ATOM 566 CD1 LEU A 34 -8.187 2.322 -2.358 1.00 13.14 C ATOM 567 CD2 LEU A 34 -5.713 2.534 -2.946 1.00 54.45 C ATOM 0 H LEU A 34 -6.768 5.687 0.822 1.00 0.13 H new ATOM 0 HA LEU A 34 -8.522 3.570 0.142 1.00 44.34 H new ATOM 0 HB2 LEU A 34 -6.967 4.666 -1.480 1.00 41.40 H new ATOM 0 HB3 LEU A 34 -5.598 3.961 -0.644 1.00 41.40 H new ATOM 0 HG LEU A 34 -6.524 1.662 -1.176 1.00 74.12 H new ATOM 0 HD11 LEU A 34 -8.220 1.428 -2.980 1.00 13.14 H new ATOM 0 HD12 LEU A 34 -8.882 2.211 -1.526 1.00 13.14 H new ATOM 0 HD13 LEU A 34 -8.471 3.189 -2.954 1.00 13.14 H new ATOM 0 HD21 LEU A 34 -5.820 1.632 -3.549 1.00 54.45 H new ATOM 0 HD22 LEU A 34 -5.873 3.411 -3.573 1.00 54.45 H new ATOM 0 HD23 LEU A 34 -4.710 2.569 -2.522 1.00 54.45 H new ATOM 579 N ALA A 35 -5.868 2.748 1.988 1.00 75.40 N ATOM 580 CA ALA A 35 -5.304 1.739 2.922 1.00 74.54 C ATOM 581 C ALA A 35 -6.331 1.298 3.992 1.00 11.04 C ATOM 582 O ALA A 35 -6.322 0.146 4.431 1.00 24.14 O ATOM 583 CB ALA A 35 -4.035 2.287 3.597 1.00 11.15 C ATOM 0 H ALA A 35 -5.324 3.610 1.944 1.00 75.40 H new ATOM 0 HA ALA A 35 -5.048 0.858 2.333 1.00 74.54 H new ATOM 0 HB1 ALA A 35 -3.633 1.537 4.278 1.00 11.15 H new ATOM 0 HB2 ALA A 35 -3.291 2.522 2.836 1.00 11.15 H new ATOM 0 HB3 ALA A 35 -4.281 3.190 4.155 1.00 11.15 H new ATOM 589 N LYS A 36 -7.220 2.233 4.387 1.00 2.41 N ATOM 590 CA LYS A 36 -8.325 1.952 5.327 1.00 33.35 C ATOM 591 C LYS A 36 -9.461 1.161 4.632 1.00 33.35 C ATOM 592 O LYS A 36 -10.017 0.238 5.225 1.00 64.21 O ATOM 593 CB LYS A 36 -8.847 3.273 5.937 1.00 43.41 C ATOM 594 CG LYS A 36 -9.901 3.106 7.054 1.00 61.11 C ATOM 595 CD LYS A 36 -10.122 4.391 7.906 1.00 43.03 C ATOM 596 CE LYS A 36 -10.798 5.559 7.153 1.00 4.35 C ATOM 597 NZ LYS A 36 -9.948 6.147 6.081 1.00 72.03 N ATOM 0 H LYS A 36 -7.192 3.200 4.065 1.00 2.41 H new ATOM 0 HA LYS A 36 -7.946 1.327 6.135 1.00 33.35 H new ATOM 0 HB2 LYS A 36 -8.000 3.830 6.338 1.00 43.41 H new ATOM 0 HB3 LYS A 36 -9.278 3.878 5.140 1.00 43.41 H new ATOM 0 HG2 LYS A 36 -10.849 2.811 6.605 1.00 61.11 H new ATOM 0 HG3 LYS A 36 -9.594 2.293 7.712 1.00 61.11 H new ATOM 0 HD2 LYS A 36 -10.731 4.135 8.773 1.00 43.03 H new ATOM 0 HD3 LYS A 36 -9.157 4.730 8.283 1.00 43.03 H new ATOM 0 HE2 LYS A 36 -11.731 5.206 6.713 1.00 4.35 H new ATOM 0 HE3 LYS A 36 -11.058 6.339 7.868 1.00 4.35 H new ATOM 0 HZ1 LYS A 36 -10.053 7.182 6.083 1.00 72.03 H new ATOM 0 HZ2 LYS A 36 -8.952 5.900 6.253 1.00 72.03 H new ATOM 0 HZ3 LYS A 36 -10.244 5.771 5.158 1.00 72.03 H new ATOM 611 N ASP A 37 -9.774 1.516 3.360 1.00 11.21 N ATOM 612 CA ASP A 37 -10.723 0.742 2.510 1.00 45.44 C ATOM 613 C ASP A 37 -10.216 -0.701 2.259 1.00 54.13 C ATOM 614 O ASP A 37 -11.017 -1.617 2.047 1.00 1.03 O ATOM 615 CB ASP A 37 -10.969 1.455 1.149 1.00 3.30 C ATOM 616 CG ASP A 37 -11.781 2.752 1.285 1.00 53.20 C ATOM 617 OD1 ASP A 37 -12.979 2.674 1.635 1.00 62.32 O ATOM 618 OD2 ASP A 37 -11.242 3.849 1.051 1.00 14.01 O ATOM 0 H ASP A 37 -9.383 2.336 2.896 1.00 11.21 H new ATOM 0 HA ASP A 37 -11.665 0.688 3.055 1.00 45.44 H new ATOM 0 HB2 ASP A 37 -10.009 1.682 0.686 1.00 3.30 H new ATOM 0 HB3 ASP A 37 -11.493 0.774 0.479 1.00 3.30 H new ATOM 623 N VAL A 38 -8.873 -0.877 2.262 1.00 72.30 N ATOM 624 CA VAL A 38 -8.237 -2.208 2.199 1.00 40.33 C ATOM 625 C VAL A 38 -8.562 -3.000 3.485 1.00 33.40 C ATOM 626 O VAL A 38 -8.956 -4.150 3.401 1.00 31.03 O ATOM 627 CB VAL A 38 -6.666 -2.130 1.983 1.00 61.43 C ATOM 628 CG1 VAL A 38 -6.006 -3.535 1.974 1.00 71.23 C ATOM 629 CG2 VAL A 38 -6.305 -1.371 0.682 1.00 33.12 C ATOM 0 H VAL A 38 -8.208 -0.105 2.308 1.00 72.30 H new ATOM 0 HA VAL A 38 -8.647 -2.723 1.330 1.00 40.33 H new ATOM 0 HB VAL A 38 -6.269 -1.574 2.833 1.00 61.43 H new ATOM 0 HG11 VAL A 38 -4.931 -3.431 1.823 1.00 71.23 H new ATOM 0 HG12 VAL A 38 -6.193 -4.031 2.927 1.00 71.23 H new ATOM 0 HG13 VAL A 38 -6.430 -4.131 1.166 1.00 71.23 H new ATOM 0 HG21 VAL A 38 -5.221 -1.338 0.569 1.00 33.12 H new ATOM 0 HG22 VAL A 38 -6.744 -1.885 -0.173 1.00 33.12 H new ATOM 0 HG23 VAL A 38 -6.695 -0.355 0.734 1.00 33.12 H new ATOM 639 N LYS A 39 -8.438 -2.339 4.662 1.00 14.44 N ATOM 640 CA LYS A 39 -8.702 -2.959 5.995 1.00 30.43 C ATOM 641 C LYS A 39 -10.137 -3.548 6.115 1.00 3.22 C ATOM 642 O LYS A 39 -10.327 -4.613 6.719 1.00 14.03 O ATOM 643 CB LYS A 39 -8.464 -1.921 7.122 1.00 21.34 C ATOM 644 CG LYS A 39 -7.026 -1.362 7.195 1.00 71.53 C ATOM 645 CD LYS A 39 -6.885 -0.212 8.224 1.00 3.21 C ATOM 646 CE LYS A 39 -5.494 0.444 8.196 1.00 22.20 C ATOM 647 NZ LYS A 39 -4.419 -0.520 8.527 1.00 42.43 N ATOM 0 H LYS A 39 -8.153 -1.361 4.720 1.00 14.44 H new ATOM 0 HA LYS A 39 -8.005 -3.790 6.099 1.00 30.43 H new ATOM 0 HB2 LYS A 39 -9.155 -1.090 6.983 1.00 21.34 H new ATOM 0 HB3 LYS A 39 -8.708 -2.382 8.079 1.00 21.34 H new ATOM 0 HG2 LYS A 39 -6.340 -2.167 7.459 1.00 71.53 H new ATOM 0 HG3 LYS A 39 -6.730 -1.001 6.210 1.00 71.53 H new ATOM 0 HD2 LYS A 39 -7.643 0.545 8.023 1.00 3.21 H new ATOM 0 HD3 LYS A 39 -7.079 -0.599 9.224 1.00 3.21 H new ATOM 0 HE2 LYS A 39 -5.312 0.865 7.207 1.00 22.20 H new ATOM 0 HE3 LYS A 39 -5.469 1.272 8.905 1.00 22.20 H new ATOM 0 HZ1 LYS A 39 -3.712 -0.057 9.132 1.00 42.43 H new ATOM 0 HZ2 LYS A 39 -4.826 -1.334 9.030 1.00 42.43 H new ATOM 0 HZ3 LYS A 39 -3.964 -0.847 7.651 1.00 42.43 H new ATOM 661 N ASP A 40 -11.137 -2.840 5.541 1.00 3.40 N ATOM 662 CA ASP A 40 -12.543 -3.331 5.468 1.00 70.11 C ATOM 663 C ASP A 40 -12.646 -4.654 4.661 1.00 41.44 C ATOM 664 O ASP A 40 -13.366 -5.585 5.050 1.00 3.31 O ATOM 665 CB ASP A 40 -13.466 -2.253 4.835 1.00 14.30 C ATOM 666 CG ASP A 40 -13.556 -0.977 5.682 1.00 42.55 C ATOM 667 OD1 ASP A 40 -14.420 -0.900 6.586 1.00 34.44 O ATOM 668 OD2 ASP A 40 -12.768 -0.052 5.462 1.00 31.01 O ATOM 0 H ASP A 40 -11.000 -1.922 5.118 1.00 3.40 H new ATOM 0 HA ASP A 40 -12.871 -3.530 6.488 1.00 70.11 H new ATOM 0 HB2 ASP A 40 -13.094 -1.999 3.842 1.00 14.30 H new ATOM 0 HB3 ASP A 40 -14.465 -2.668 4.704 1.00 14.30 H new ATOM 673 N GLU A 41 -11.901 -4.715 3.545 1.00 44.42 N ATOM 674 CA GLU A 41 -11.837 -5.899 2.659 1.00 73.35 C ATOM 675 C GLU A 41 -11.097 -7.081 3.349 1.00 3.31 C ATOM 676 O GLU A 41 -11.501 -8.243 3.224 1.00 31.11 O ATOM 677 CB GLU A 41 -11.106 -5.513 1.346 1.00 50.54 C ATOM 678 CG GLU A 41 -11.757 -4.385 0.520 1.00 52.04 C ATOM 679 CD GLU A 41 -13.026 -4.814 -0.231 1.00 52.10 C ATOM 680 OE1 GLU A 41 -12.917 -5.599 -1.191 1.00 31.11 O ATOM 681 OE2 GLU A 41 -14.131 -4.358 0.113 1.00 0.22 O ATOM 0 H GLU A 41 -11.320 -3.940 3.226 1.00 44.42 H new ATOM 0 HA GLU A 41 -12.854 -6.224 2.439 1.00 73.35 H new ATOM 0 HB2 GLU A 41 -10.088 -5.214 1.594 1.00 50.54 H new ATOM 0 HB3 GLU A 41 -11.034 -6.401 0.718 1.00 50.54 H new ATOM 0 HG2 GLU A 41 -12.003 -3.557 1.185 1.00 52.04 H new ATOM 0 HG3 GLU A 41 -11.030 -4.010 -0.200 1.00 52.04 H new ATOM 688 N LEU A 42 -10.022 -6.744 4.092 1.00 53.30 N ATOM 689 CA LEU A 42 -9.165 -7.721 4.807 1.00 2.43 C ATOM 690 C LEU A 42 -9.964 -8.556 5.840 1.00 11.43 C ATOM 691 O LEU A 42 -9.618 -9.709 6.122 1.00 54.52 O ATOM 692 CB LEU A 42 -7.991 -6.979 5.506 1.00 22.12 C ATOM 693 CG LEU A 42 -6.972 -6.261 4.570 1.00 14.14 C ATOM 694 CD1 LEU A 42 -5.908 -5.480 5.378 1.00 71.14 C ATOM 695 CD2 LEU A 42 -6.315 -7.245 3.575 1.00 41.44 C ATOM 0 H LEU A 42 -9.719 -5.778 4.215 1.00 53.30 H new ATOM 0 HA LEU A 42 -8.770 -8.418 4.067 1.00 2.43 H new ATOM 0 HB2 LEU A 42 -8.411 -6.238 6.186 1.00 22.12 H new ATOM 0 HB3 LEU A 42 -7.446 -7.699 6.116 1.00 22.12 H new ATOM 0 HG LEU A 42 -7.534 -5.535 3.983 1.00 14.14 H new ATOM 0 HD11 LEU A 42 -5.215 -4.993 4.692 1.00 71.14 H new ATOM 0 HD12 LEU A 42 -6.399 -4.726 5.993 1.00 71.14 H new ATOM 0 HD13 LEU A 42 -5.359 -6.170 6.019 1.00 71.14 H new ATOM 0 HD21 LEU A 42 -5.612 -6.706 2.941 1.00 41.44 H new ATOM 0 HD22 LEU A 42 -5.785 -8.021 4.127 1.00 41.44 H new ATOM 0 HD23 LEU A 42 -7.085 -7.703 2.955 1.00 41.44 H new ATOM 707 N GLU A 43 -11.022 -7.948 6.403 1.00 12.40 N ATOM 708 CA GLU A 43 -11.962 -8.625 7.319 1.00 13.44 C ATOM 709 C GLU A 43 -13.087 -9.325 6.519 1.00 1.55 C ATOM 710 O GLU A 43 -13.273 -10.548 6.622 1.00 40.42 O ATOM 711 CB GLU A 43 -12.566 -7.595 8.304 1.00 43.32 C ATOM 712 CG GLU A 43 -11.519 -6.795 9.102 1.00 2.51 C ATOM 713 CD GLU A 43 -12.155 -5.777 10.055 1.00 1.13 C ATOM 714 OE1 GLU A 43 -12.669 -4.743 9.571 1.00 3.21 O ATOM 715 OE2 GLU A 43 -12.152 -6.000 11.284 1.00 72.32 O ATOM 0 H GLU A 43 -11.252 -6.968 6.236 1.00 12.40 H new ATOM 0 HA GLU A 43 -11.420 -9.383 7.884 1.00 13.44 H new ATOM 0 HB2 GLU A 43 -13.191 -6.898 7.745 1.00 43.32 H new ATOM 0 HB3 GLU A 43 -13.218 -8.117 9.004 1.00 43.32 H new ATOM 0 HG2 GLU A 43 -10.899 -7.485 9.675 1.00 2.51 H new ATOM 0 HG3 GLU A 43 -10.859 -6.274 8.408 1.00 2.51 H new ATOM 722 N GLU A 44 -13.828 -8.531 5.717 1.00 14.25 N ATOM 723 CA GLU A 44 -14.937 -9.034 4.878 1.00 11.23 C ATOM 724 C GLU A 44 -14.952 -8.333 3.494 1.00 31.14 C ATOM 725 O GLU A 44 -15.527 -7.252 3.320 1.00 24.52 O ATOM 726 CB GLU A 44 -16.297 -8.885 5.615 1.00 21.15 C ATOM 727 CG GLU A 44 -17.505 -9.446 4.828 1.00 51.52 C ATOM 728 CD GLU A 44 -18.805 -9.486 5.648 1.00 53.51 C ATOM 729 OE1 GLU A 44 -19.475 -8.439 5.772 1.00 11.21 O ATOM 730 OE2 GLU A 44 -19.154 -10.569 6.178 1.00 15.15 O ATOM 0 H GLU A 44 -13.675 -7.526 5.633 1.00 14.25 H new ATOM 0 HA GLU A 44 -14.776 -10.097 4.699 1.00 11.23 H new ATOM 0 HB2 GLU A 44 -16.235 -9.394 6.577 1.00 21.15 H new ATOM 0 HB3 GLU A 44 -16.471 -7.830 5.824 1.00 21.15 H new ATOM 0 HG2 GLU A 44 -17.664 -8.836 3.939 1.00 51.52 H new ATOM 0 HG3 GLU A 44 -17.269 -10.454 4.486 1.00 51.52 H new ATOM 737 N GLY A 45 -14.254 -8.952 2.537 1.00 13.20 N ATOM 738 CA GLY A 45 -14.225 -8.525 1.135 1.00 22.34 C ATOM 739 C GLY A 45 -13.159 -9.283 0.345 1.00 74.22 C ATOM 740 O GLY A 45 -12.971 -10.491 0.547 1.00 40.24 O ATOM 0 H GLY A 45 -13.684 -9.778 2.718 1.00 13.20 H new ATOM 0 HA2 GLY A 45 -15.203 -8.691 0.682 1.00 22.34 H new ATOM 0 HA3 GLY A 45 -14.027 -7.454 1.083 1.00 22.34 H new ATOM 744 N ASP A 46 -12.450 -8.579 -0.541 1.00 11.34 N ATOM 745 CA ASP A 46 -11.295 -9.133 -1.286 1.00 73.30 C ATOM 746 C ASP A 46 -9.983 -8.806 -0.505 1.00 33.10 C ATOM 747 O ASP A 46 -10.038 -8.343 0.630 1.00 62.11 O ATOM 748 CB ASP A 46 -11.297 -8.534 -2.727 1.00 62.51 C ATOM 749 CG ASP A 46 -10.411 -9.309 -3.715 1.00 34.12 C ATOM 750 OD1 ASP A 46 -10.871 -10.330 -4.269 1.00 45.34 O ATOM 751 OD2 ASP A 46 -9.242 -8.929 -3.908 1.00 30.12 O ATOM 0 H ASP A 46 -12.654 -7.606 -0.769 1.00 11.34 H new ATOM 0 HA ASP A 46 -11.362 -10.217 -1.375 1.00 73.30 H new ATOM 0 HB2 ASP A 46 -12.320 -8.518 -3.104 1.00 62.51 H new ATOM 0 HB3 ASP A 46 -10.958 -7.499 -2.682 1.00 62.51 H new ATOM 756 N ALA A 47 -8.811 -9.095 -1.091 1.00 53.21 N ATOM 757 CA ALA A 47 -7.517 -8.635 -0.552 1.00 40.51 C ATOM 758 C ALA A 47 -6.439 -8.586 -1.642 1.00 41.01 C ATOM 759 O ALA A 47 -5.737 -7.591 -1.741 1.00 73.21 O ATOM 760 CB ALA A 47 -7.058 -9.491 0.636 1.00 31.31 C ATOM 0 H ALA A 47 -8.731 -9.649 -1.944 1.00 53.21 H new ATOM 0 HA ALA A 47 -7.668 -7.619 -0.186 1.00 40.51 H new ATOM 0 HB1 ALA A 47 -6.101 -9.120 1.004 1.00 31.31 H new ATOM 0 HB2 ALA A 47 -7.800 -9.435 1.433 1.00 31.31 H new ATOM 0 HB3 ALA A 47 -6.946 -10.527 0.316 1.00 31.31 H new ATOM 766 N LYS A 48 -6.319 -9.655 -2.466 1.00 22.44 N ATOM 767 CA LYS A 48 -5.284 -9.732 -3.537 1.00 15.33 C ATOM 768 C LYS A 48 -5.416 -8.555 -4.529 1.00 1.02 C ATOM 769 O LYS A 48 -4.462 -7.812 -4.733 1.00 31.11 O ATOM 770 CB LYS A 48 -5.355 -11.079 -4.305 1.00 73.01 C ATOM 771 CG LYS A 48 -4.337 -11.182 -5.477 1.00 0.44 C ATOM 772 CD LYS A 48 -4.376 -12.540 -6.212 1.00 65.34 C ATOM 773 CE LYS A 48 -3.409 -12.583 -7.416 1.00 73.33 C ATOM 774 NZ LYS A 48 -2.001 -12.273 -7.030 1.00 72.54 N ATOM 0 H LYS A 48 -6.922 -10.476 -2.413 1.00 22.44 H new ATOM 0 HA LYS A 48 -4.314 -9.668 -3.045 1.00 15.33 H new ATOM 0 HB2 LYS A 48 -5.176 -11.896 -3.606 1.00 73.01 H new ATOM 0 HB3 LYS A 48 -6.363 -11.211 -4.698 1.00 73.01 H new ATOM 0 HG2 LYS A 48 -4.538 -10.385 -6.193 1.00 0.44 H new ATOM 0 HG3 LYS A 48 -3.332 -11.017 -5.090 1.00 0.44 H new ATOM 0 HD2 LYS A 48 -4.119 -13.336 -5.513 1.00 65.34 H new ATOM 0 HD3 LYS A 48 -5.391 -12.735 -6.557 1.00 65.34 H new ATOM 0 HE2 LYS A 48 -3.448 -13.572 -7.874 1.00 73.33 H new ATOM 0 HE3 LYS A 48 -3.741 -11.869 -8.170 1.00 73.33 H new ATOM 0 HZ1 LYS A 48 -1.360 -12.965 -7.469 1.00 72.54 H new ATOM 0 HZ2 LYS A 48 -1.754 -11.317 -7.357 1.00 72.54 H new ATOM 0 HZ3 LYS A 48 -1.906 -12.321 -5.995 1.00 72.54 H new ATOM 788 N ASN A 49 -6.623 -8.390 -5.107 1.00 41.11 N ATOM 789 CA ASN A 49 -6.933 -7.297 -6.067 1.00 21.10 C ATOM 790 C ASN A 49 -6.826 -5.902 -5.393 1.00 3.31 C ATOM 791 O ASN A 49 -6.536 -4.908 -6.055 1.00 41.45 O ATOM 792 CB ASN A 49 -8.343 -7.514 -6.681 1.00 43.44 C ATOM 793 CG ASN A 49 -8.663 -6.580 -7.856 1.00 25.04 C ATOM 794 OD1 ASN A 49 -9.211 -5.494 -7.682 1.00 71.13 O ATOM 795 ND2 ASN A 49 -8.331 -6.999 -9.059 1.00 71.33 N ATOM 0 H ASN A 49 -7.414 -9.008 -4.925 1.00 41.11 H new ATOM 0 HA ASN A 49 -6.195 -7.325 -6.868 1.00 21.10 H new ATOM 0 HB2 ASN A 49 -8.426 -8.547 -7.019 1.00 43.44 H new ATOM 0 HB3 ASN A 49 -9.093 -7.372 -5.903 1.00 43.44 H new ATOM 0 HD21 ASN A 49 -8.528 -6.418 -9.874 1.00 71.33 H new ATOM 0 HD22 ASN A 49 -7.877 -7.905 -9.176 1.00 71.33 H new ATOM 802 N MET A 50 -7.062 -5.856 -4.066 1.00 44.20 N ATOM 803 CA MET A 50 -6.872 -4.631 -3.254 1.00 44.34 C ATOM 804 C MET A 50 -5.378 -4.239 -3.136 1.00 14.33 C ATOM 805 O MET A 50 -5.052 -3.060 -3.162 1.00 11.00 O ATOM 806 CB MET A 50 -7.488 -4.815 -1.848 1.00 11.23 C ATOM 807 CG MET A 50 -9.007 -4.977 -1.851 1.00 15.45 C ATOM 808 SD MET A 50 -9.861 -3.531 -2.539 1.00 34.54 S ATOM 809 CE MET A 50 -9.328 -2.211 -1.445 1.00 1.25 C ATOM 0 H MET A 50 -7.387 -6.659 -3.528 1.00 44.20 H new ATOM 0 HA MET A 50 -7.386 -3.818 -3.768 1.00 44.34 H new ATOM 0 HB2 MET A 50 -7.041 -5.691 -1.378 1.00 11.23 H new ATOM 0 HB3 MET A 50 -7.226 -3.954 -1.232 1.00 11.23 H new ATOM 0 HG2 MET A 50 -9.273 -5.861 -2.430 1.00 15.45 H new ATOM 0 HG3 MET A 50 -9.353 -5.148 -0.831 1.00 15.45 H new ATOM 0 HE1 MET A 50 -10.196 -1.641 -1.113 1.00 1.25 H new ATOM 0 HE2 MET A 50 -8.821 -2.638 -0.580 1.00 1.25 H new ATOM 0 HE3 MET A 50 -8.643 -1.551 -1.978 1.00 1.25 H new ATOM 819 N ILE A 51 -4.492 -5.244 -3.007 1.00 4.33 N ATOM 820 CA ILE A 51 -3.020 -5.038 -2.947 1.00 62.01 C ATOM 821 C ILE A 51 -2.467 -4.684 -4.352 1.00 34.33 C ATOM 822 O ILE A 51 -1.566 -3.850 -4.482 1.00 44.22 O ATOM 823 CB ILE A 51 -2.295 -6.323 -2.386 1.00 12.33 C ATOM 824 CG1 ILE A 51 -2.860 -6.713 -0.980 1.00 53.01 C ATOM 825 CG2 ILE A 51 -0.754 -6.137 -2.322 1.00 1.30 C ATOM 826 CD1 ILE A 51 -2.514 -8.122 -0.534 1.00 74.15 C ATOM 0 H ILE A 51 -4.769 -6.223 -2.941 1.00 4.33 H new ATOM 0 HA ILE A 51 -2.821 -4.208 -2.270 1.00 62.01 H new ATOM 0 HB ILE A 51 -2.499 -7.137 -3.081 1.00 12.33 H new ATOM 0 HG12 ILE A 51 -2.480 -6.008 -0.241 1.00 53.01 H new ATOM 0 HG13 ILE A 51 -3.945 -6.606 -0.995 1.00 53.01 H new ATOM 0 HG21 ILE A 51 -0.294 -7.044 -1.930 1.00 1.30 H new ATOM 0 HG22 ILE A 51 -0.370 -5.938 -3.322 1.00 1.30 H new ATOM 0 HG23 ILE A 51 -0.516 -5.298 -1.668 1.00 1.30 H new ATOM 0 HD11 ILE A 51 -2.945 -8.308 0.450 1.00 74.15 H new ATOM 0 HD12 ILE A 51 -2.918 -8.839 -1.249 1.00 74.15 H new ATOM 0 HD13 ILE A 51 -1.431 -8.232 -0.482 1.00 74.15 H new ATOM 838 N GLU A 52 -3.040 -5.327 -5.397 1.00 55.43 N ATOM 839 CA GLU A 52 -2.725 -5.026 -6.812 1.00 65.14 C ATOM 840 C GLU A 52 -3.049 -3.553 -7.127 1.00 31.33 C ATOM 841 O GLU A 52 -2.223 -2.839 -7.686 1.00 4.03 O ATOM 842 CB GLU A 52 -3.512 -5.970 -7.784 1.00 34.52 C ATOM 843 CG GLU A 52 -3.200 -7.472 -7.600 1.00 35.33 C ATOM 844 CD GLU A 52 -3.921 -8.410 -8.590 1.00 21.02 C ATOM 845 OE1 GLU A 52 -5.169 -8.397 -8.647 1.00 41.25 O ATOM 846 OE2 GLU A 52 -3.242 -9.177 -9.310 1.00 50.33 O ATOM 0 H GLU A 52 -3.732 -6.067 -5.282 1.00 55.43 H new ATOM 0 HA GLU A 52 -1.659 -5.199 -6.963 1.00 65.14 H new ATOM 0 HB2 GLU A 52 -4.581 -5.812 -7.639 1.00 34.52 H new ATOM 0 HB3 GLU A 52 -3.284 -5.686 -8.811 1.00 34.52 H new ATOM 0 HG2 GLU A 52 -2.125 -7.620 -7.699 1.00 35.33 H new ATOM 0 HG3 GLU A 52 -3.469 -7.763 -6.585 1.00 35.33 H new ATOM 853 N LYS A 53 -4.260 -3.122 -6.728 1.00 34.32 N ATOM 854 CA LYS A 53 -4.753 -1.744 -6.966 1.00 64.43 C ATOM 855 C LYS A 53 -4.186 -0.704 -5.979 1.00 43.15 C ATOM 856 O LYS A 53 -4.166 0.492 -6.295 1.00 15.51 O ATOM 857 CB LYS A 53 -6.306 -1.703 -7.003 1.00 13.12 C ATOM 858 CG LYS A 53 -6.906 -2.251 -8.320 1.00 53.33 C ATOM 859 CD LYS A 53 -6.408 -1.446 -9.549 1.00 22.03 C ATOM 860 CE LYS A 53 -6.915 -1.994 -10.884 1.00 0.52 C ATOM 861 NZ LYS A 53 -6.371 -1.214 -12.026 1.00 34.02 N ATOM 0 H LYS A 53 -4.926 -3.714 -6.232 1.00 34.32 H new ATOM 0 HA LYS A 53 -4.375 -1.456 -7.947 1.00 64.43 H new ATOM 0 HB2 LYS A 53 -6.697 -2.282 -6.166 1.00 13.12 H new ATOM 0 HB3 LYS A 53 -6.638 -0.674 -6.862 1.00 13.12 H new ATOM 0 HG2 LYS A 53 -6.634 -3.300 -8.436 1.00 53.33 H new ATOM 0 HG3 LYS A 53 -7.994 -2.207 -8.271 1.00 53.33 H new ATOM 0 HD2 LYS A 53 -6.726 -0.408 -9.447 1.00 22.03 H new ATOM 0 HD3 LYS A 53 -5.318 -1.446 -9.556 1.00 22.03 H new ATOM 0 HE2 LYS A 53 -6.626 -3.040 -10.984 1.00 0.52 H new ATOM 0 HE3 LYS A 53 -8.004 -1.961 -10.904 1.00 0.52 H new ATOM 0 HZ1 LYS A 53 -7.120 -0.610 -12.422 1.00 34.02 H new ATOM 0 HZ2 LYS A 53 -5.584 -0.619 -11.697 1.00 34.02 H new ATOM 0 HZ3 LYS A 53 -6.028 -1.866 -12.760 1.00 34.02 H new ATOM 875 N PHE A 54 -3.736 -1.143 -4.791 1.00 23.45 N ATOM 876 CA PHE A 54 -3.054 -0.237 -3.837 1.00 25.44 C ATOM 877 C PHE A 54 -1.649 0.120 -4.371 1.00 2.44 C ATOM 878 O PHE A 54 -1.220 1.265 -4.280 1.00 51.40 O ATOM 879 CB PHE A 54 -2.956 -0.845 -2.405 1.00 20.52 C ATOM 880 CG PHE A 54 -2.354 0.138 -1.390 1.00 14.03 C ATOM 881 CD1 PHE A 54 -3.118 1.192 -0.890 1.00 61.31 C ATOM 882 CD2 PHE A 54 -1.016 0.057 -1.001 1.00 3.53 C ATOM 883 CE1 PHE A 54 -2.572 2.125 -0.034 1.00 14.55 C ATOM 884 CE2 PHE A 54 -0.468 1.003 -0.157 1.00 43.12 C ATOM 885 CZ PHE A 54 -1.244 2.033 0.327 1.00 63.42 C ATOM 0 H PHE A 54 -3.828 -2.106 -4.467 1.00 23.45 H new ATOM 0 HA PHE A 54 -3.656 0.668 -3.754 1.00 25.44 H new ATOM 0 HB2 PHE A 54 -3.950 -1.144 -2.072 1.00 20.52 H new ATOM 0 HB3 PHE A 54 -2.346 -1.748 -2.438 1.00 20.52 H new ATOM 0 HD1 PHE A 54 -4.155 1.279 -1.178 1.00 61.31 H new ATOM 0 HD2 PHE A 54 -0.402 -0.754 -1.364 1.00 3.53 H new ATOM 0 HE1 PHE A 54 -3.183 2.927 0.353 1.00 14.55 H new ATOM 0 HE2 PHE A 54 0.572 0.935 0.124 1.00 43.12 H new ATOM 0 HZ PHE A 54 -0.812 2.769 0.989 1.00 63.42 H new ATOM 895 N ARG A 55 -0.960 -0.888 -4.927 1.00 1.41 N ATOM 896 CA ARG A 55 0.372 -0.730 -5.556 1.00 60.45 C ATOM 897 C ARG A 55 0.248 0.010 -6.917 1.00 72.13 C ATOM 898 O ARG A 55 1.118 0.801 -7.289 1.00 34.04 O ATOM 899 CB ARG A 55 1.022 -2.145 -5.705 1.00 42.23 C ATOM 900 CG ARG A 55 2.510 -2.195 -6.164 1.00 43.11 C ATOM 901 CD ARG A 55 2.678 -2.196 -7.691 1.00 40.42 C ATOM 902 NE ARG A 55 1.982 -3.342 -8.317 1.00 31.04 N ATOM 903 CZ ARG A 55 1.183 -3.285 -9.363 1.00 41.12 C ATOM 904 NH1 ARG A 55 0.929 -2.161 -9.956 1.00 44.33 N ATOM 905 NH2 ARG A 55 0.657 -4.373 -9.817 1.00 44.32 N ATOM 0 H ARG A 55 -1.309 -1.846 -4.956 1.00 1.41 H new ATOM 0 HA ARG A 55 1.018 -0.116 -4.929 1.00 60.45 H new ATOM 0 HB2 ARG A 55 0.946 -2.655 -4.745 1.00 42.23 H new ATOM 0 HB3 ARG A 55 0.428 -2.717 -6.418 1.00 42.23 H new ATOM 0 HG2 ARG A 55 3.040 -1.338 -5.748 1.00 43.11 H new ATOM 0 HG3 ARG A 55 2.979 -3.089 -5.754 1.00 43.11 H new ATOM 0 HD2 ARG A 55 2.287 -1.265 -8.101 1.00 40.42 H new ATOM 0 HD3 ARG A 55 3.738 -2.234 -7.941 1.00 40.42 H new ATOM 0 HE ARG A 55 2.135 -4.260 -7.900 1.00 31.04 H new ATOM 0 HH11 ARG A 55 1.351 -1.297 -9.614 1.00 44.33 H new ATOM 0 HH12 ARG A 55 0.307 -2.140 -10.764 1.00 44.33 H new ATOM 0 HH21 ARG A 55 0.861 -5.265 -9.366 1.00 44.32 H new ATOM 0 HH22 ARG A 55 0.037 -4.341 -10.626 1.00 44.32 H new ATOM 919 N ASP A 56 -0.861 -0.260 -7.635 1.00 41.32 N ATOM 920 CA ASP A 56 -1.204 0.389 -8.927 1.00 54.54 C ATOM 921 C ASP A 56 -1.412 1.914 -8.735 1.00 32.31 C ATOM 922 O ASP A 56 -0.934 2.725 -9.535 1.00 50.45 O ATOM 923 CB ASP A 56 -2.492 -0.273 -9.489 1.00 42.44 C ATOM 924 CG ASP A 56 -2.837 0.088 -10.943 1.00 11.30 C ATOM 925 OD1 ASP A 56 -2.048 -0.260 -11.845 1.00 73.11 O ATOM 926 OD2 ASP A 56 -3.919 0.664 -11.195 1.00 13.15 O ATOM 0 H ASP A 56 -1.556 -0.943 -7.334 1.00 41.32 H new ATOM 0 HA ASP A 56 -0.385 0.254 -9.633 1.00 54.54 H new ATOM 0 HB2 ASP A 56 -2.385 -1.355 -9.416 1.00 42.44 H new ATOM 0 HB3 ASP A 56 -3.332 0.008 -8.853 1.00 42.44 H new ATOM 931 N GLU A 57 -2.130 2.276 -7.648 1.00 73.42 N ATOM 932 CA GLU A 57 -2.399 3.686 -7.290 1.00 11.21 C ATOM 933 C GLU A 57 -1.160 4.349 -6.639 1.00 23.24 C ATOM 934 O GLU A 57 -0.910 5.536 -6.851 1.00 61.32 O ATOM 935 CB GLU A 57 -3.623 3.793 -6.342 1.00 33.22 C ATOM 936 CG GLU A 57 -4.122 5.241 -6.108 1.00 51.40 C ATOM 937 CD GLU A 57 -5.326 5.327 -5.158 1.00 15.25 C ATOM 938 OE1 GLU A 57 -6.469 5.063 -5.601 1.00 34.21 O ATOM 939 OE2 GLU A 57 -5.139 5.644 -3.967 1.00 53.31 O ATOM 0 H GLU A 57 -2.537 1.603 -6.998 1.00 73.42 H new ATOM 0 HA GLU A 57 -2.625 4.219 -8.213 1.00 11.21 H new ATOM 0 HB2 GLU A 57 -4.440 3.201 -6.754 1.00 33.22 H new ATOM 0 HB3 GLU A 57 -3.363 3.351 -5.380 1.00 33.22 H new ATOM 0 HG2 GLU A 57 -3.305 5.837 -5.702 1.00 51.40 H new ATOM 0 HG3 GLU A 57 -4.393 5.683 -7.067 1.00 51.40 H new ATOM 946 N MET A 58 -0.405 3.584 -5.816 1.00 1.10 N ATOM 947 CA MET A 58 0.901 4.044 -5.275 1.00 45.51 C ATOM 948 C MET A 58 1.926 4.368 -6.377 1.00 30.43 C ATOM 949 O MET A 58 2.783 5.217 -6.159 1.00 65.42 O ATOM 950 CB MET A 58 1.520 3.036 -4.262 1.00 21.54 C ATOM 951 CG MET A 58 1.032 3.186 -2.814 1.00 42.21 C ATOM 952 SD MET A 58 2.291 2.650 -1.635 1.00 72.12 S ATOM 953 CE MET A 58 3.617 3.806 -1.992 1.00 22.20 C ATOM 0 H MET A 58 -0.674 2.649 -5.512 1.00 1.10 H new ATOM 0 HA MET A 58 0.672 4.968 -4.744 1.00 45.51 H new ATOM 0 HB2 MET A 58 1.300 2.023 -4.600 1.00 21.54 H new ATOM 0 HB3 MET A 58 2.604 3.149 -4.277 1.00 21.54 H new ATOM 0 HG2 MET A 58 0.772 4.227 -2.622 1.00 42.21 H new ATOM 0 HG3 MET A 58 0.125 2.599 -2.672 1.00 42.21 H new ATOM 0 HE1 MET A 58 4.577 3.339 -1.770 1.00 22.20 H new ATOM 0 HE2 MET A 58 3.583 4.084 -3.045 1.00 22.20 H new ATOM 0 HE3 MET A 58 3.497 4.698 -1.377 1.00 22.20 H new ATOM 963 N GLU A 59 1.861 3.673 -7.527 1.00 22.52 N ATOM 964 CA GLU A 59 2.682 4.023 -8.713 1.00 24.33 C ATOM 965 C GLU A 59 2.353 5.459 -9.192 1.00 23.40 C ATOM 966 O GLU A 59 3.247 6.251 -9.495 1.00 64.01 O ATOM 967 CB GLU A 59 2.450 3.005 -9.865 1.00 72.05 C ATOM 968 CG GLU A 59 3.203 3.339 -11.175 1.00 13.43 C ATOM 969 CD GLU A 59 2.976 2.310 -12.293 1.00 54.05 C ATOM 970 OE1 GLU A 59 1.953 2.396 -13.001 1.00 64.45 O ATOM 971 OE2 GLU A 59 3.817 1.402 -12.466 1.00 30.55 O ATOM 0 H GLU A 59 1.252 2.867 -7.666 1.00 22.52 H new ATOM 0 HA GLU A 59 3.732 3.981 -8.425 1.00 24.33 H new ATOM 0 HB2 GLU A 59 2.757 2.015 -9.526 1.00 72.05 H new ATOM 0 HB3 GLU A 59 1.382 2.952 -10.077 1.00 72.05 H new ATOM 0 HG2 GLU A 59 2.886 4.321 -11.526 1.00 13.43 H new ATOM 0 HG3 GLU A 59 4.270 3.405 -10.964 1.00 13.43 H new ATOM 978 N GLN A 60 1.048 5.765 -9.218 1.00 20.50 N ATOM 979 CA GLN A 60 0.513 7.083 -9.616 1.00 33.40 C ATOM 980 C GLN A 60 0.930 8.203 -8.616 1.00 30.31 C ATOM 981 O GLN A 60 1.452 9.239 -9.024 1.00 51.20 O ATOM 982 CB GLN A 60 -1.040 6.980 -9.731 1.00 13.21 C ATOM 983 CG GLN A 60 -1.543 5.902 -10.717 1.00 61.31 C ATOM 984 CD GLN A 60 -1.143 6.170 -12.171 1.00 20.45 C ATOM 985 OE1 GLN A 60 -0.083 5.750 -12.629 1.00 2.12 O ATOM 986 NE2 GLN A 60 -1.998 6.845 -12.914 1.00 62.33 N ATOM 0 H GLN A 60 0.321 5.097 -8.960 1.00 20.50 H new ATOM 0 HA GLN A 60 0.935 7.359 -10.582 1.00 33.40 H new ATOM 0 HB2 GLN A 60 -1.451 6.770 -8.743 1.00 13.21 H new ATOM 0 HB3 GLN A 60 -1.433 7.948 -10.041 1.00 13.21 H new ATOM 0 HG2 GLN A 60 -1.150 4.932 -10.413 1.00 61.31 H new ATOM 0 HG3 GLN A 60 -2.629 5.841 -10.653 1.00 61.31 H new ATOM 0 HE21 GLN A 60 -2.871 7.182 -12.508 1.00 62.33 H new ATOM 0 HE22 GLN A 60 -1.786 7.030 -13.895 1.00 62.33 H new ATOM 995 N MET A 61 0.725 7.954 -7.307 1.00 43.42 N ATOM 996 CA MET A 61 1.039 8.932 -6.224 1.00 3.44 C ATOM 997 C MET A 61 2.572 9.159 -6.066 1.00 22.33 C ATOM 998 O MET A 61 3.013 10.245 -5.673 1.00 21.44 O ATOM 999 CB MET A 61 0.406 8.454 -4.884 1.00 65.24 C ATOM 1000 CG MET A 61 -1.135 8.377 -4.910 1.00 11.43 C ATOM 1001 SD MET A 61 -1.855 7.849 -3.336 1.00 4.33 S ATOM 1002 CE MET A 61 -1.296 6.149 -3.207 1.00 25.54 C ATOM 0 H MET A 61 0.339 7.075 -6.963 1.00 43.42 H new ATOM 0 HA MET A 61 0.607 9.893 -6.502 1.00 3.44 H new ATOM 0 HB2 MET A 61 0.805 7.470 -4.636 1.00 65.24 H new ATOM 0 HB3 MET A 61 0.712 9.132 -4.087 1.00 65.24 H new ATOM 0 HG2 MET A 61 -1.536 9.356 -5.174 1.00 11.43 H new ATOM 0 HG3 MET A 61 -1.444 7.684 -5.693 1.00 11.43 H new ATOM 0 HE1 MET A 61 -1.909 5.619 -2.478 1.00 25.54 H new ATOM 0 HE2 MET A 61 -1.384 5.662 -4.178 1.00 25.54 H new ATOM 0 HE3 MET A 61 -0.254 6.132 -2.886 1.00 25.54 H new ATOM 1012 N TYR A 62 3.358 8.112 -6.374 1.00 61.24 N ATOM 1013 CA TYR A 62 4.841 8.176 -6.449 1.00 14.13 C ATOM 1014 C TYR A 62 5.295 9.003 -7.671 1.00 31.31 C ATOM 1015 O TYR A 62 6.278 9.748 -7.604 1.00 72.44 O ATOM 1016 CB TYR A 62 5.418 6.729 -6.513 1.00 24.12 C ATOM 1017 CG TYR A 62 6.902 6.615 -6.916 1.00 5.41 C ATOM 1018 CD1 TYR A 62 7.921 7.017 -6.052 1.00 0.13 C ATOM 1019 CD2 TYR A 62 7.274 6.115 -8.173 1.00 11.02 C ATOM 1020 CE1 TYR A 62 9.244 6.926 -6.419 1.00 42.14 C ATOM 1021 CE2 TYR A 62 8.602 6.019 -8.536 1.00 34.21 C ATOM 1022 CZ TYR A 62 9.580 6.428 -7.659 1.00 0.20 C ATOM 1023 OH TYR A 62 10.902 6.347 -8.026 1.00 63.20 O ATOM 0 H TYR A 62 2.985 7.186 -6.581 1.00 61.24 H new ATOM 0 HA TYR A 62 5.222 8.673 -5.557 1.00 14.13 H new ATOM 0 HB2 TYR A 62 5.290 6.264 -5.536 1.00 24.12 H new ATOM 0 HB3 TYR A 62 4.823 6.152 -7.221 1.00 24.12 H new ATOM 0 HD1 TYR A 62 7.667 7.407 -5.077 1.00 0.13 H new ATOM 0 HD2 TYR A 62 6.509 5.800 -8.867 1.00 11.02 H new ATOM 0 HE1 TYR A 62 10.018 7.244 -5.736 1.00 42.14 H new ATOM 0 HE2 TYR A 62 8.872 5.625 -9.504 1.00 34.21 H new ATOM 0 HH TYR A 62 11.234 5.441 -7.856 1.00 63.20 H new ATOM 1033 N LYS A 63 4.570 8.845 -8.787 1.00 11.15 N ATOM 1034 CA LYS A 63 4.883 9.543 -10.058 1.00 3.31 C ATOM 1035 C LYS A 63 4.636 11.080 -9.924 1.00 44.33 C ATOM 1036 O LYS A 63 5.324 11.886 -10.562 1.00 23.10 O ATOM 1037 CB LYS A 63 4.065 8.905 -11.234 1.00 22.15 C ATOM 1038 CG LYS A 63 4.808 8.820 -12.602 1.00 23.15 C ATOM 1039 CD LYS A 63 4.899 10.161 -13.369 1.00 72.14 C ATOM 1040 CE LYS A 63 3.523 10.663 -13.846 1.00 52.24 C ATOM 1041 NZ LYS A 63 3.621 11.900 -14.667 1.00 22.43 N ATOM 0 H LYS A 63 3.754 8.236 -8.842 1.00 11.15 H new ATOM 0 HA LYS A 63 5.941 9.417 -10.287 1.00 3.31 H new ATOM 0 HB2 LYS A 63 3.765 7.899 -10.940 1.00 22.15 H new ATOM 0 HB3 LYS A 63 3.151 9.482 -11.372 1.00 22.15 H new ATOM 0 HG2 LYS A 63 5.817 8.445 -12.430 1.00 23.15 H new ATOM 0 HG3 LYS A 63 4.300 8.090 -13.232 1.00 23.15 H new ATOM 0 HD2 LYS A 63 5.353 10.914 -12.725 1.00 72.14 H new ATOM 0 HD3 LYS A 63 5.556 10.039 -14.230 1.00 72.14 H new ATOM 0 HE2 LYS A 63 3.037 9.881 -14.429 1.00 52.24 H new ATOM 0 HE3 LYS A 63 2.890 10.855 -12.980 1.00 52.24 H new ATOM 0 HZ1 LYS A 63 2.669 12.197 -14.963 1.00 22.43 H new ATOM 0 HZ2 LYS A 63 4.060 12.656 -14.104 1.00 22.43 H new ATOM 0 HZ3 LYS A 63 4.203 11.713 -15.509 1.00 22.43 H new ATOM 1055 N ASP A 64 3.652 11.461 -9.086 1.00 23.22 N ATOM 1056 CA ASP A 64 3.413 12.874 -8.702 1.00 22.30 C ATOM 1057 C ASP A 64 4.477 13.384 -7.689 1.00 41.03 C ATOM 1058 O ASP A 64 5.160 14.380 -7.945 1.00 75.21 O ATOM 1059 CB ASP A 64 1.984 13.040 -8.114 1.00 54.14 C ATOM 1060 CG ASP A 64 0.884 13.007 -9.186 1.00 52.22 C ATOM 1061 OD1 ASP A 64 0.620 11.934 -9.749 1.00 10.01 O ATOM 1062 OD2 ASP A 64 0.279 14.065 -9.469 1.00 63.41 O ATOM 0 H ASP A 64 3.001 10.804 -8.656 1.00 23.22 H new ATOM 0 HA ASP A 64 3.500 13.480 -9.604 1.00 22.30 H new ATOM 0 HB2 ASP A 64 1.801 12.246 -7.390 1.00 54.14 H new ATOM 0 HB3 ASP A 64 1.928 13.985 -7.573 1.00 54.14 H new ATOM 1067 N ALA A 65 4.617 12.683 -6.542 1.00 50.53 N ATOM 1068 CA ALA A 65 5.502 13.105 -5.425 1.00 0.04 C ATOM 1069 C ALA A 65 6.525 11.983 -5.051 1.00 20.12 C ATOM 1070 O ALA A 65 6.244 11.134 -4.192 1.00 40.13 O ATOM 1071 CB ALA A 65 4.643 13.523 -4.213 1.00 42.12 C ATOM 0 H ALA A 65 4.122 11.810 -6.361 1.00 50.53 H new ATOM 0 HA ALA A 65 6.089 13.966 -5.747 1.00 0.04 H new ATOM 0 HB1 ALA A 65 5.294 13.832 -3.395 1.00 42.12 H new ATOM 0 HB2 ALA A 65 3.995 14.353 -4.495 1.00 42.12 H new ATOM 0 HB3 ALA A 65 4.032 12.679 -3.892 1.00 42.12 H new ATOM 1077 N PRO A 66 7.715 11.932 -5.741 1.00 55.42 N ATOM 1078 CA PRO A 66 8.783 10.950 -5.449 1.00 51.24 C ATOM 1079 C PRO A 66 9.827 11.470 -4.411 1.00 1.42 C ATOM 1080 O PRO A 66 10.750 12.216 -4.754 1.00 33.11 O ATOM 1081 CB PRO A 66 9.398 10.739 -6.857 1.00 24.43 C ATOM 1082 CG PRO A 66 9.263 12.070 -7.552 1.00 1.21 C ATOM 1083 CD PRO A 66 8.100 12.803 -6.888 1.00 60.43 C ATOM 0 HA PRO A 66 8.418 10.036 -4.981 1.00 51.24 H new ATOM 0 HB2 PRO A 66 10.442 10.435 -6.789 1.00 24.43 H new ATOM 0 HB3 PRO A 66 8.873 9.955 -7.403 1.00 24.43 H new ATOM 0 HG2 PRO A 66 10.184 12.647 -7.463 1.00 1.21 H new ATOM 0 HG3 PRO A 66 9.075 11.932 -8.617 1.00 1.21 H new ATOM 0 HD2 PRO A 66 8.398 13.796 -6.550 1.00 60.43 H new ATOM 0 HD3 PRO A 66 7.269 12.938 -7.580 1.00 60.43 H new ATOM 1091 N ASN A 67 9.669 11.079 -3.132 1.00 53.34 N ATOM 1092 CA ASN A 67 10.582 11.514 -2.034 1.00 60.54 C ATOM 1093 C ASN A 67 11.639 10.422 -1.677 1.00 50.44 C ATOM 1094 O ASN A 67 12.112 10.372 -0.537 1.00 1.14 O ATOM 1095 CB ASN A 67 9.743 11.934 -0.786 1.00 63.11 C ATOM 1096 CG ASN A 67 8.791 10.857 -0.249 1.00 23.13 C ATOM 1097 OD1 ASN A 67 9.016 9.670 -0.404 1.00 72.30 O ATOM 1098 ND2 ASN A 67 7.726 11.265 0.411 1.00 42.31 N ATOM 0 H ASN A 67 8.918 10.461 -2.824 1.00 53.34 H new ATOM 0 HA ASN A 67 11.147 12.378 -2.384 1.00 60.54 H new ATOM 0 HB2 ASN A 67 10.427 12.223 0.012 1.00 63.11 H new ATOM 0 HB3 ASN A 67 9.159 12.818 -1.041 1.00 63.11 H new ATOM 0 HD21 ASN A 67 7.075 10.583 0.801 1.00 42.31 H new ATOM 0 HD22 ASN A 67 7.552 12.263 0.532 1.00 42.31 H new ATOM 1105 N ALA A 68 12.001 9.577 -2.678 1.00 54.31 N ATOM 1106 CA ALA A 68 13.009 8.481 -2.560 1.00 61.15 C ATOM 1107 C ALA A 68 12.507 7.271 -1.723 1.00 23.31 C ATOM 1108 O ALA A 68 12.434 6.146 -2.242 1.00 52.12 O ATOM 1109 CB ALA A 68 14.376 8.992 -2.059 1.00 55.10 C ATOM 0 H ALA A 68 11.593 9.637 -3.611 1.00 54.31 H new ATOM 0 HA ALA A 68 13.154 8.110 -3.575 1.00 61.15 H new ATOM 0 HB1 ALA A 68 15.074 8.157 -1.990 1.00 55.10 H new ATOM 0 HB2 ALA A 68 14.765 9.734 -2.757 1.00 55.10 H new ATOM 0 HB3 ALA A 68 14.256 9.447 -1.076 1.00 55.10 H new ATOM 1115 N VAL A 69 12.170 7.496 -0.435 1.00 65.53 N ATOM 1116 CA VAL A 69 11.626 6.442 0.460 1.00 1.40 C ATOM 1117 C VAL A 69 10.291 5.849 -0.078 1.00 70.31 C ATOM 1118 O VAL A 69 10.042 4.651 0.072 1.00 62.50 O ATOM 1119 CB VAL A 69 11.462 6.969 1.944 1.00 42.33 C ATOM 1120 CG1 VAL A 69 10.514 8.191 2.033 1.00 44.00 C ATOM 1121 CG2 VAL A 69 11.007 5.844 2.912 1.00 63.41 C ATOM 0 H VAL A 69 12.265 8.406 0.015 1.00 65.53 H new ATOM 0 HA VAL A 69 12.355 5.632 0.473 1.00 1.40 H new ATOM 0 HB VAL A 69 12.451 7.301 2.260 1.00 42.33 H new ATOM 0 HG11 VAL A 69 10.434 8.515 3.071 1.00 44.00 H new ATOM 0 HG12 VAL A 69 10.913 9.005 1.428 1.00 44.00 H new ATOM 0 HG13 VAL A 69 9.527 7.914 1.663 1.00 44.00 H new ATOM 0 HG21 VAL A 69 10.907 6.249 3.919 1.00 63.41 H new ATOM 0 HG22 VAL A 69 10.046 5.448 2.583 1.00 63.41 H new ATOM 0 HG23 VAL A 69 11.748 5.044 2.914 1.00 63.41 H new ATOM 1131 N MET A 70 9.485 6.692 -0.758 1.00 2.34 N ATOM 1132 CA MET A 70 8.214 6.286 -1.422 1.00 74.25 C ATOM 1133 C MET A 70 8.408 5.064 -2.369 1.00 44.35 C ATOM 1134 O MET A 70 7.556 4.175 -2.437 1.00 61.41 O ATOM 1135 CB MET A 70 7.656 7.497 -2.223 1.00 63.41 C ATOM 1136 CG MET A 70 6.207 7.364 -2.715 1.00 61.31 C ATOM 1137 SD MET A 70 5.004 7.336 -1.368 1.00 63.51 S ATOM 1138 CE MET A 70 3.451 7.486 -2.251 1.00 60.44 C ATOM 0 H MET A 70 9.695 7.684 -0.866 1.00 2.34 H new ATOM 0 HA MET A 70 7.508 5.982 -0.649 1.00 74.25 H new ATOM 0 HB2 MET A 70 7.727 8.386 -1.596 1.00 63.41 H new ATOM 0 HB3 MET A 70 8.299 7.664 -3.087 1.00 63.41 H new ATOM 0 HG2 MET A 70 5.978 8.195 -3.382 1.00 61.31 H new ATOM 0 HG3 MET A 70 6.110 6.450 -3.300 1.00 61.31 H new ATOM 0 HE1 MET A 70 2.703 6.846 -1.783 1.00 60.44 H new ATOM 0 HE2 MET A 70 3.113 8.522 -2.219 1.00 60.44 H new ATOM 0 HE3 MET A 70 3.591 7.182 -3.288 1.00 60.44 H new ATOM 1148 N GLU A 71 9.562 5.032 -3.074 1.00 64.31 N ATOM 1149 CA GLU A 71 9.930 3.926 -3.997 1.00 34.31 C ATOM 1150 C GLU A 71 10.165 2.589 -3.242 1.00 23.22 C ATOM 1151 O GLU A 71 9.800 1.516 -3.738 1.00 51.03 O ATOM 1152 CB GLU A 71 11.197 4.311 -4.806 1.00 51.05 C ATOM 1153 CG GLU A 71 11.665 3.244 -5.823 1.00 15.33 C ATOM 1154 CD GLU A 71 12.861 3.695 -6.674 1.00 2.41 C ATOM 1155 OE1 GLU A 71 13.992 3.750 -6.150 1.00 72.31 O ATOM 1156 OE2 GLU A 71 12.676 4.020 -7.864 1.00 13.31 O ATOM 0 H GLU A 71 10.265 5.769 -3.022 1.00 64.31 H new ATOM 0 HA GLU A 71 9.093 3.773 -4.678 1.00 34.31 H new ATOM 0 HB2 GLU A 71 11.001 5.241 -5.340 1.00 51.05 H new ATOM 0 HB3 GLU A 71 12.010 4.509 -4.108 1.00 51.05 H new ATOM 0 HG2 GLU A 71 11.933 2.334 -5.286 1.00 15.33 H new ATOM 0 HG3 GLU A 71 10.834 2.992 -6.482 1.00 15.33 H new ATOM 1163 N GLN A 72 10.775 2.678 -2.041 1.00 72.15 N ATOM 1164 CA GLN A 72 11.006 1.502 -1.164 1.00 53.54 C ATOM 1165 C GLN A 72 9.675 0.841 -0.739 1.00 40.02 C ATOM 1166 O GLN A 72 9.618 -0.375 -0.559 1.00 20.13 O ATOM 1167 CB GLN A 72 11.835 1.894 0.094 1.00 44.13 C ATOM 1168 CG GLN A 72 13.248 2.435 -0.215 1.00 2.43 C ATOM 1169 CD GLN A 72 14.074 2.705 1.047 1.00 22.51 C ATOM 1170 OE1 GLN A 72 14.786 1.833 1.537 1.00 10.43 O ATOM 1171 NE2 GLN A 72 13.994 3.907 1.579 1.00 24.21 N ATOM 0 H GLN A 72 11.119 3.556 -1.652 1.00 72.15 H new ATOM 0 HA GLN A 72 11.576 0.776 -1.744 1.00 53.54 H new ATOM 0 HB2 GLN A 72 11.285 2.649 0.655 1.00 44.13 H new ATOM 0 HB3 GLN A 72 11.927 1.021 0.740 1.00 44.13 H new ATOM 0 HG2 GLN A 72 13.777 1.717 -0.842 1.00 2.43 H new ATOM 0 HG3 GLN A 72 13.161 3.357 -0.790 1.00 2.43 H new ATOM 0 HE21 GLN A 72 13.395 4.614 1.153 1.00 24.21 H new ATOM 0 HE22 GLN A 72 14.531 4.131 2.417 1.00 24.21 H new ATOM 1180 N LEU A 73 8.611 1.653 -0.593 1.00 1.34 N ATOM 1181 CA LEU A 73 7.254 1.137 -0.316 1.00 43.41 C ATOM 1182 C LEU A 73 6.658 0.396 -1.539 1.00 12.22 C ATOM 1183 O LEU A 73 6.072 -0.669 -1.363 1.00 3.03 O ATOM 1184 CB LEU A 73 6.300 2.259 0.189 1.00 13.03 C ATOM 1185 CG LEU A 73 6.495 2.716 1.672 1.00 54.44 C ATOM 1186 CD1 LEU A 73 6.546 1.501 2.624 1.00 61.21 C ATOM 1187 CD2 LEU A 73 7.716 3.636 1.860 1.00 40.21 C ATOM 0 H LEU A 73 8.663 2.669 -0.662 1.00 1.34 H new ATOM 0 HA LEU A 73 7.352 0.408 0.488 1.00 43.41 H new ATOM 0 HB2 LEU A 73 6.422 3.129 -0.456 1.00 13.03 H new ATOM 0 HB3 LEU A 73 5.273 1.915 0.069 1.00 13.03 H new ATOM 0 HG LEU A 73 5.623 3.315 1.933 1.00 54.44 H new ATOM 0 HD11 LEU A 73 6.682 1.847 3.649 1.00 61.21 H new ATOM 0 HD12 LEU A 73 5.613 0.942 2.551 1.00 61.21 H new ATOM 0 HD13 LEU A 73 7.379 0.855 2.345 1.00 61.21 H new ATOM 0 HD21 LEU A 73 7.799 3.920 2.909 1.00 40.21 H new ATOM 0 HD22 LEU A 73 8.619 3.109 1.554 1.00 40.21 H new ATOM 0 HD23 LEU A 73 7.594 4.531 1.250 1.00 40.21 H new ATOM 1199 N LEU A 74 6.830 0.946 -2.771 1.00 44.12 N ATOM 1200 CA LEU A 74 6.459 0.218 -4.028 1.00 32.20 C ATOM 1201 C LEU A 74 7.131 -1.180 -4.068 1.00 13.54 C ATOM 1202 O LEU A 74 6.506 -2.174 -4.449 1.00 52.21 O ATOM 1203 CB LEU A 74 6.851 1.029 -5.316 1.00 42.45 C ATOM 1204 CG LEU A 74 5.822 2.079 -5.846 1.00 52.33 C ATOM 1205 CD1 LEU A 74 4.444 1.432 -6.107 1.00 10.01 C ATOM 1206 CD2 LEU A 74 5.720 3.297 -4.914 1.00 41.44 C ATOM 0 H LEU A 74 7.217 1.877 -2.926 1.00 44.12 H new ATOM 0 HA LEU A 74 5.375 0.101 -4.020 1.00 32.20 H new ATOM 0 HB2 LEU A 74 7.788 1.548 -5.115 1.00 42.45 H new ATOM 0 HB3 LEU A 74 7.047 0.316 -6.117 1.00 42.45 H new ATOM 0 HG LEU A 74 6.192 2.447 -6.803 1.00 52.33 H new ATOM 0 HD11 LEU A 74 3.751 2.188 -6.475 1.00 10.01 H new ATOM 0 HD12 LEU A 74 4.548 0.642 -6.851 1.00 10.01 H new ATOM 0 HD13 LEU A 74 4.060 1.008 -5.179 1.00 10.01 H new ATOM 0 HD21 LEU A 74 4.995 4.004 -5.317 1.00 41.44 H new ATOM 0 HD22 LEU A 74 5.399 2.972 -3.924 1.00 41.44 H new ATOM 0 HD23 LEU A 74 6.694 3.780 -4.839 1.00 41.44 H new ATOM 1218 N GLU A 75 8.408 -1.219 -3.647 1.00 1.33 N ATOM 1219 CA GLU A 75 9.207 -2.457 -3.559 1.00 65.32 C ATOM 1220 C GLU A 75 8.603 -3.481 -2.567 1.00 50.51 C ATOM 1221 O GLU A 75 8.426 -4.648 -2.915 1.00 51.34 O ATOM 1222 CB GLU A 75 10.680 -2.109 -3.168 1.00 55.23 C ATOM 1223 CG GLU A 75 11.602 -3.316 -2.840 1.00 44.02 C ATOM 1224 CD GLU A 75 12.009 -4.223 -4.029 1.00 52.44 C ATOM 1225 OE1 GLU A 75 11.251 -4.358 -5.017 1.00 61.02 O ATOM 1226 OE2 GLU A 75 13.094 -4.842 -3.962 1.00 72.20 O ATOM 0 H GLU A 75 8.920 -0.386 -3.356 1.00 1.33 H new ATOM 0 HA GLU A 75 9.194 -2.930 -4.541 1.00 65.32 H new ATOM 0 HB2 GLU A 75 11.129 -1.547 -3.987 1.00 55.23 H new ATOM 0 HB3 GLU A 75 10.658 -1.448 -2.302 1.00 55.23 H new ATOM 0 HG2 GLU A 75 12.511 -2.934 -2.377 1.00 44.02 H new ATOM 0 HG3 GLU A 75 11.101 -3.935 -2.096 1.00 44.02 H new ATOM 1233 N GLU A 76 8.286 -3.026 -1.344 1.00 0.43 N ATOM 1234 CA GLU A 76 7.785 -3.902 -0.256 1.00 10.12 C ATOM 1235 C GLU A 76 6.379 -4.481 -0.543 1.00 11.22 C ATOM 1236 O GLU A 76 6.102 -5.641 -0.208 1.00 63.40 O ATOM 1237 CB GLU A 76 7.802 -3.134 1.087 1.00 30.30 C ATOM 1238 CG GLU A 76 9.217 -2.729 1.562 1.00 52.12 C ATOM 1239 CD GLU A 76 10.140 -3.934 1.853 1.00 41.44 C ATOM 1240 OE1 GLU A 76 10.145 -4.421 3.005 1.00 64.11 O ATOM 1241 OE2 GLU A 76 10.853 -4.407 0.930 1.00 22.14 O ATOM 0 H GLU A 76 8.367 -2.045 -1.076 1.00 0.43 H new ATOM 0 HA GLU A 76 8.458 -4.758 -0.195 1.00 10.12 H new ATOM 0 HB2 GLU A 76 7.192 -2.236 0.988 1.00 30.30 H new ATOM 0 HB3 GLU A 76 7.336 -3.753 1.854 1.00 30.30 H new ATOM 0 HG2 GLU A 76 9.681 -2.102 0.801 1.00 52.12 H new ATOM 0 HG3 GLU A 76 9.129 -2.123 2.464 1.00 52.12 H new ATOM 1248 N ILE A 77 5.501 -3.668 -1.159 1.00 73.14 N ATOM 1249 CA ILE A 77 4.151 -4.122 -1.573 1.00 5.51 C ATOM 1250 C ILE A 77 4.263 -5.167 -2.715 1.00 23.32 C ATOM 1251 O ILE A 77 3.523 -6.142 -2.727 1.00 41.31 O ATOM 1252 CB ILE A 77 3.243 -2.924 -2.044 1.00 63.11 C ATOM 1253 CG1 ILE A 77 3.200 -1.797 -0.968 1.00 35.05 C ATOM 1254 CG2 ILE A 77 1.802 -3.407 -2.376 1.00 75.45 C ATOM 1255 CD1 ILE A 77 2.563 -0.503 -1.437 1.00 45.04 C ATOM 0 H ILE A 77 5.698 -2.693 -1.383 1.00 73.14 H new ATOM 0 HA ILE A 77 3.682 -4.576 -0.700 1.00 5.51 H new ATOM 0 HB ILE A 77 3.685 -2.516 -2.953 1.00 63.11 H new ATOM 0 HG12 ILE A 77 2.653 -2.162 -0.099 1.00 35.05 H new ATOM 0 HG13 ILE A 77 4.218 -1.588 -0.639 1.00 35.05 H new ATOM 0 HG21 ILE A 77 1.199 -2.558 -2.698 1.00 75.45 H new ATOM 0 HG22 ILE A 77 1.842 -4.148 -3.175 1.00 75.45 H new ATOM 0 HG23 ILE A 77 1.354 -3.854 -1.488 1.00 75.45 H new ATOM 0 HD11 ILE A 77 2.576 0.224 -0.625 1.00 45.04 H new ATOM 0 HD12 ILE A 77 3.122 -0.109 -2.286 1.00 45.04 H new ATOM 0 HD13 ILE A 77 1.533 -0.693 -1.738 1.00 45.04 H new ATOM 1267 N GLU A 78 5.202 -4.935 -3.662 1.00 3.42 N ATOM 1268 CA GLU A 78 5.521 -5.884 -4.765 1.00 13.42 C ATOM 1269 C GLU A 78 6.023 -7.243 -4.228 1.00 52.21 C ATOM 1270 O GLU A 78 5.531 -8.298 -4.637 1.00 65.41 O ATOM 1271 CB GLU A 78 6.566 -5.253 -5.746 1.00 43.30 C ATOM 1272 CG GLU A 78 5.954 -4.342 -6.830 1.00 24.41 C ATOM 1273 CD GLU A 78 5.139 -5.142 -7.863 1.00 15.31 C ATOM 1274 OE1 GLU A 78 5.728 -5.615 -8.860 1.00 74.41 O ATOM 1275 OE2 GLU A 78 3.926 -5.356 -7.660 1.00 23.13 O ATOM 0 H GLU A 78 5.763 -4.084 -3.686 1.00 3.42 H new ATOM 0 HA GLU A 78 4.598 -6.074 -5.313 1.00 13.42 H new ATOM 0 HB2 GLU A 78 7.286 -4.675 -5.167 1.00 43.30 H new ATOM 0 HB3 GLU A 78 7.119 -6.056 -6.233 1.00 43.30 H new ATOM 0 HG2 GLU A 78 5.311 -3.599 -6.358 1.00 24.41 H new ATOM 0 HG3 GLU A 78 6.750 -3.798 -7.339 1.00 24.41 H new ATOM 1282 N LYS A 79 6.978 -7.192 -3.286 1.00 24.12 N ATOM 1283 CA LYS A 79 7.540 -8.391 -2.619 1.00 31.02 C ATOM 1284 C LYS A 79 6.446 -9.203 -1.883 1.00 34.12 C ATOM 1285 O LYS A 79 6.496 -10.442 -1.831 1.00 73.33 O ATOM 1286 CB LYS A 79 8.672 -7.962 -1.643 1.00 1.22 C ATOM 1287 CG LYS A 79 9.962 -7.475 -2.350 1.00 62.51 C ATOM 1288 CD LYS A 79 10.677 -8.618 -3.118 1.00 70.33 C ATOM 1289 CE LYS A 79 11.881 -8.136 -3.945 1.00 55.43 C ATOM 1290 NZ LYS A 79 11.468 -7.247 -5.060 1.00 11.23 N ATOM 0 H LYS A 79 7.388 -6.317 -2.960 1.00 24.12 H new ATOM 0 HA LYS A 79 7.958 -9.046 -3.383 1.00 31.02 H new ATOM 0 HB2 LYS A 79 8.300 -7.165 -0.999 1.00 1.22 H new ATOM 0 HB3 LYS A 79 8.920 -8.804 -0.997 1.00 1.22 H new ATOM 0 HG2 LYS A 79 9.713 -6.673 -3.045 1.00 62.51 H new ATOM 0 HG3 LYS A 79 10.643 -7.055 -1.610 1.00 62.51 H new ATOM 0 HD2 LYS A 79 11.013 -9.371 -2.405 1.00 70.33 H new ATOM 0 HD3 LYS A 79 9.961 -9.104 -3.781 1.00 70.33 H new ATOM 0 HE2 LYS A 79 12.577 -7.605 -3.296 1.00 55.43 H new ATOM 0 HE3 LYS A 79 12.414 -8.998 -4.347 1.00 55.43 H new ATOM 0 HZ1 LYS A 79 12.313 -6.877 -5.540 1.00 11.23 H new ATOM 0 HZ2 LYS A 79 10.892 -7.786 -5.738 1.00 11.23 H new ATOM 0 HZ3 LYS A 79 10.909 -6.455 -4.684 1.00 11.23 H new ATOM 1304 N LEU A 80 5.455 -8.487 -1.332 1.00 70.10 N ATOM 1305 CA LEU A 80 4.278 -9.103 -0.696 1.00 32.52 C ATOM 1306 C LEU A 80 3.270 -9.617 -1.755 1.00 32.21 C ATOM 1307 O LEU A 80 2.684 -10.677 -1.573 1.00 31.30 O ATOM 1308 CB LEU A 80 3.619 -8.089 0.288 1.00 33.02 C ATOM 1309 CG LEU A 80 2.482 -8.648 1.227 1.00 21.20 C ATOM 1310 CD1 LEU A 80 2.473 -7.924 2.585 1.00 33.23 C ATOM 1311 CD2 LEU A 80 1.077 -8.564 0.573 1.00 23.14 C ATOM 0 H LEU A 80 5.445 -7.467 -1.314 1.00 70.10 H new ATOM 0 HA LEU A 80 4.601 -9.973 -0.125 1.00 32.52 H new ATOM 0 HB2 LEU A 80 4.403 -7.667 0.917 1.00 33.02 H new ATOM 0 HB3 LEU A 80 3.204 -7.268 -0.297 1.00 33.02 H new ATOM 0 HG LEU A 80 2.710 -9.702 1.388 1.00 21.20 H new ATOM 0 HD11 LEU A 80 1.678 -8.332 3.210 1.00 33.23 H new ATOM 0 HD12 LEU A 80 3.433 -8.067 3.080 1.00 33.23 H new ATOM 0 HD13 LEU A 80 2.301 -6.859 2.428 1.00 33.23 H new ATOM 0 HD21 LEU A 80 0.331 -8.962 1.261 1.00 23.14 H new ATOM 0 HD22 LEU A 80 0.843 -7.524 0.346 1.00 23.14 H new ATOM 0 HD23 LEU A 80 1.069 -9.147 -0.348 1.00 23.14 H new ATOM 1323 N LEU A 81 3.117 -8.872 -2.867 1.00 2.23 N ATOM 1324 CA LEU A 81 2.074 -9.125 -3.901 1.00 52.54 C ATOM 1325 C LEU A 81 2.365 -10.394 -4.746 1.00 62.21 C ATOM 1326 O LEU A 81 1.435 -11.084 -5.187 1.00 5.10 O ATOM 1327 CB LEU A 81 1.924 -7.878 -4.819 1.00 11.32 C ATOM 1328 CG LEU A 81 0.821 -7.949 -5.926 1.00 74.24 C ATOM 1329 CD1 LEU A 81 -0.557 -8.329 -5.328 1.00 33.33 C ATOM 1330 CD2 LEU A 81 0.741 -6.613 -6.706 1.00 23.15 C ATOM 0 H LEU A 81 3.712 -8.072 -3.082 1.00 2.23 H new ATOM 0 HA LEU A 81 1.135 -9.307 -3.378 1.00 52.54 H new ATOM 0 HB2 LEU A 81 1.717 -7.014 -4.188 1.00 11.32 H new ATOM 0 HB3 LEU A 81 2.883 -7.696 -5.305 1.00 11.32 H new ATOM 0 HG LEU A 81 1.101 -8.736 -6.627 1.00 74.24 H new ATOM 0 HD11 LEU A 81 -1.300 -8.369 -6.124 1.00 33.33 H new ATOM 0 HD12 LEU A 81 -0.488 -9.304 -4.846 1.00 33.33 H new ATOM 0 HD13 LEU A 81 -0.853 -7.581 -4.593 1.00 33.33 H new ATOM 0 HD21 LEU A 81 -0.032 -6.684 -7.471 1.00 23.15 H new ATOM 0 HD22 LEU A 81 0.497 -5.804 -6.018 1.00 23.15 H new ATOM 0 HD23 LEU A 81 1.702 -6.410 -7.179 1.00 23.15 H new ATOM 1342 N LYS A 82 3.658 -10.679 -4.980 1.00 13.44 N ATOM 1343 CA LYS A 82 4.101 -11.929 -5.654 1.00 13.55 C ATOM 1344 C LYS A 82 3.706 -13.174 -4.817 1.00 61.20 C ATOM 1345 O LYS A 82 3.274 -14.193 -5.364 1.00 61.24 O ATOM 1346 CB LYS A 82 5.642 -11.883 -5.936 1.00 32.32 C ATOM 1347 CG LYS A 82 6.092 -11.255 -7.298 1.00 10.54 C ATOM 1348 CD LYS A 82 5.734 -9.752 -7.510 1.00 53.12 C ATOM 1349 CE LYS A 82 4.309 -9.510 -8.049 1.00 73.20 C ATOM 1350 NZ LYS A 82 4.058 -8.077 -8.319 1.00 31.52 N ATOM 0 H LYS A 82 4.425 -10.061 -4.713 1.00 13.44 H new ATOM 0 HA LYS A 82 3.592 -12.008 -6.614 1.00 13.55 H new ATOM 0 HB2 LYS A 82 6.118 -11.324 -5.130 1.00 32.32 H new ATOM 0 HB3 LYS A 82 6.027 -12.902 -5.888 1.00 32.32 H new ATOM 0 HG2 LYS A 82 7.173 -11.367 -7.387 1.00 10.54 H new ATOM 0 HG3 LYS A 82 5.644 -11.832 -8.107 1.00 10.54 H new ATOM 0 HD2 LYS A 82 5.845 -9.227 -6.562 1.00 53.12 H new ATOM 0 HD3 LYS A 82 6.452 -9.314 -8.203 1.00 53.12 H new ATOM 0 HE2 LYS A 82 4.165 -10.083 -8.965 1.00 73.20 H new ATOM 0 HE3 LYS A 82 3.580 -9.876 -7.326 1.00 73.20 H new ATOM 0 HZ1 LYS A 82 3.268 -7.983 -8.988 1.00 31.52 H new ATOM 0 HZ2 LYS A 82 3.818 -7.593 -7.430 1.00 31.52 H new ATOM 0 HZ3 LYS A 82 4.911 -7.646 -8.728 1.00 31.52 H new ATOM 1364 N LYS A 83 3.870 -13.056 -3.489 1.00 61.21 N ATOM 1365 CA LYS A 83 3.447 -14.085 -2.516 1.00 54.20 C ATOM 1366 C LYS A 83 1.890 -14.094 -2.364 1.00 62.25 C ATOM 1367 O LYS A 83 1.277 -15.154 -2.192 1.00 20.25 O ATOM 1368 CB LYS A 83 4.184 -13.819 -1.158 1.00 11.15 C ATOM 1369 CG LYS A 83 4.366 -15.045 -0.221 1.00 54.13 C ATOM 1370 CD LYS A 83 3.079 -15.468 0.527 1.00 72.11 C ATOM 1371 CE LYS A 83 3.270 -16.750 1.345 1.00 32.23 C ATOM 1372 NZ LYS A 83 3.607 -17.911 0.488 1.00 44.35 N ATOM 0 H LYS A 83 4.302 -12.240 -3.055 1.00 61.21 H new ATOM 0 HA LYS A 83 3.723 -15.079 -2.868 1.00 54.20 H new ATOM 0 HB2 LYS A 83 5.169 -13.408 -1.378 1.00 11.15 H new ATOM 0 HB3 LYS A 83 3.633 -13.052 -0.614 1.00 11.15 H new ATOM 0 HG2 LYS A 83 4.724 -15.889 -0.811 1.00 54.13 H new ATOM 0 HG3 LYS A 83 5.140 -14.817 0.512 1.00 54.13 H new ATOM 0 HD2 LYS A 83 2.766 -14.661 1.190 1.00 72.11 H new ATOM 0 HD3 LYS A 83 2.276 -15.618 -0.195 1.00 72.11 H new ATOM 0 HE2 LYS A 83 4.063 -16.598 2.077 1.00 32.23 H new ATOM 0 HE3 LYS A 83 2.358 -16.964 1.902 1.00 32.23 H new ATOM 0 HZ1 LYS A 83 3.495 -18.789 1.034 1.00 44.35 H new ATOM 0 HZ2 LYS A 83 2.971 -17.931 -0.335 1.00 44.35 H new ATOM 0 HZ3 LYS A 83 4.591 -17.828 0.163 1.00 44.35 H new ATOM 1386 N ALA A 84 1.269 -12.892 -2.450 1.00 72.24 N ATOM 1387 CA ALA A 84 -0.186 -12.696 -2.230 1.00 21.34 C ATOM 1388 C ALA A 84 -1.015 -13.313 -3.380 1.00 40.13 C ATOM 1389 O ALA A 84 -1.213 -12.685 -4.428 1.00 43.12 O ATOM 1390 CB ALA A 84 -0.510 -11.194 -2.057 1.00 41.12 C ATOM 0 H ALA A 84 1.764 -12.029 -2.674 1.00 72.24 H new ATOM 0 HA ALA A 84 -0.462 -13.214 -1.312 1.00 21.34 H new ATOM 0 HB1 ALA A 84 -1.581 -11.069 -1.897 1.00 41.12 H new ATOM 0 HB2 ALA A 84 0.034 -10.801 -1.198 1.00 41.12 H new ATOM 0 HB3 ALA A 84 -0.212 -10.652 -2.954 1.00 41.12 H new ATOM 1396 N GLY A 85 -1.472 -14.561 -3.171 1.00 62.30 N ATOM 1397 CA GLY A 85 -2.193 -15.328 -4.198 1.00 1.01 C ATOM 1398 C GLY A 85 -1.264 -16.234 -5.017 1.00 33.14 C ATOM 1399 O GLY A 85 -0.038 -16.072 -4.985 1.00 44.13 O ATOM 0 H GLY A 85 -1.352 -15.062 -2.291 1.00 62.30 H new ATOM 0 HA2 GLY A 85 -2.960 -15.937 -3.720 1.00 1.01 H new ATOM 0 HA3 GLY A 85 -2.706 -14.638 -4.868 1.00 1.01 H new ATOM 1403 N SER A 86 -1.853 -17.188 -5.754 1.00 13.04 N ATOM 1404 CA SER A 86 -1.096 -18.148 -6.597 1.00 53.54 C ATOM 1405 C SER A 86 -0.547 -17.481 -7.879 1.00 45.24 C ATOM 1406 O SER A 86 -1.006 -16.399 -8.278 1.00 73.22 O ATOM 1407 CB SER A 86 -2.004 -19.343 -6.966 1.00 63.22 C ATOM 1408 OG SER A 86 -2.502 -19.980 -5.798 1.00 74.34 O ATOM 0 H SER A 86 -2.864 -17.322 -5.788 1.00 13.04 H new ATOM 0 HA SER A 86 -0.240 -18.499 -6.020 1.00 53.54 H new ATOM 0 HB2 SER A 86 -2.836 -18.997 -7.579 1.00 63.22 H new ATOM 0 HB3 SER A 86 -1.443 -20.060 -7.565 1.00 63.22 H new ATOM 0 HG SER A 86 -3.075 -20.732 -6.055 1.00 74.34 H new ATOM 1414 N LEU A 87 0.439 -18.141 -8.524 1.00 61.45 N ATOM 1415 CA LEU A 87 1.015 -17.679 -9.803 1.00 64.33 C ATOM 1416 C LEU A 87 0.019 -17.918 -10.959 1.00 1.54 C ATOM 1417 O LEU A 87 0.050 -18.963 -11.620 1.00 32.24 O ATOM 1418 CB LEU A 87 2.371 -18.381 -10.090 1.00 3.33 C ATOM 1419 CG LEU A 87 3.510 -18.143 -9.050 1.00 10.04 C ATOM 1420 CD1 LEU A 87 4.790 -18.913 -9.452 1.00 34.53 C ATOM 1421 CD2 LEU A 87 3.795 -16.629 -8.859 1.00 31.35 C ATOM 0 H LEU A 87 0.855 -19.004 -8.174 1.00 61.45 H new ATOM 0 HA LEU A 87 1.204 -16.608 -9.725 1.00 64.33 H new ATOM 0 HB2 LEU A 87 2.192 -19.454 -10.161 1.00 3.33 H new ATOM 0 HB3 LEU A 87 2.726 -18.052 -11.067 1.00 3.33 H new ATOM 0 HG LEU A 87 3.174 -18.532 -8.089 1.00 10.04 H new ATOM 0 HD11 LEU A 87 5.570 -18.732 -8.713 1.00 34.53 H new ATOM 0 HD12 LEU A 87 4.573 -19.980 -9.498 1.00 34.53 H new ATOM 0 HD13 LEU A 87 5.129 -18.570 -10.429 1.00 34.53 H new ATOM 0 HD21 LEU A 87 4.593 -16.498 -8.128 1.00 31.35 H new ATOM 0 HD22 LEU A 87 4.099 -16.193 -9.811 1.00 31.35 H new ATOM 0 HD23 LEU A 87 2.893 -16.131 -8.504 1.00 31.35 H new ATOM 1433 N VAL A 88 -0.911 -16.965 -11.131 1.00 32.43 N ATOM 1434 CA VAL A 88 -1.917 -16.967 -12.216 1.00 44.44 C ATOM 1435 C VAL A 88 -2.014 -15.556 -12.867 1.00 71.31 C ATOM 1436 O VAL A 88 -1.954 -14.543 -12.153 1.00 42.33 O ATOM 1437 CB VAL A 88 -3.346 -17.416 -11.693 1.00 51.41 C ATOM 1438 CG1 VAL A 88 -3.379 -18.924 -11.331 1.00 43.43 C ATOM 1439 CG2 VAL A 88 -3.810 -16.553 -10.486 1.00 52.31 C ATOM 0 H VAL A 88 -0.990 -16.157 -10.513 1.00 32.43 H new ATOM 0 HA VAL A 88 -1.589 -17.690 -12.963 1.00 44.44 H new ATOM 0 HB VAL A 88 -4.046 -17.254 -12.513 1.00 51.41 H new ATOM 0 HG11 VAL A 88 -4.375 -19.192 -10.977 1.00 43.43 H new ATOM 0 HG12 VAL A 88 -3.137 -19.516 -12.214 1.00 43.43 H new ATOM 0 HG13 VAL A 88 -2.649 -19.126 -10.547 1.00 43.43 H new ATOM 0 HG21 VAL A 88 -4.793 -16.889 -10.155 1.00 52.31 H new ATOM 0 HG22 VAL A 88 -3.096 -16.657 -9.669 1.00 52.31 H new ATOM 0 HG23 VAL A 88 -3.867 -15.507 -10.787 1.00 52.31 H new ATOM 1449 N PRO A 89 -2.126 -15.459 -14.235 1.00 41.52 N ATOM 1450 CA PRO A 89 -2.448 -14.178 -14.928 1.00 71.45 C ATOM 1451 C PRO A 89 -3.850 -13.632 -14.540 1.00 70.01 C ATOM 1452 O PRO A 89 -4.685 -14.356 -13.984 1.00 32.41 O ATOM 1453 CB PRO A 89 -2.380 -14.549 -16.442 1.00 74.11 C ATOM 1454 CG PRO A 89 -1.570 -15.814 -16.487 1.00 63.34 C ATOM 1455 CD PRO A 89 -1.908 -16.555 -15.212 1.00 64.34 C ATOM 0 HA PRO A 89 -1.759 -13.379 -14.654 1.00 71.45 H new ATOM 0 HB2 PRO A 89 -3.376 -14.701 -16.858 1.00 74.11 H new ATOM 0 HB3 PRO A 89 -1.909 -13.756 -17.024 1.00 74.11 H new ATOM 0 HG2 PRO A 89 -1.820 -16.409 -17.365 1.00 63.34 H new ATOM 0 HG3 PRO A 89 -0.504 -15.596 -16.543 1.00 63.34 H new ATOM 0 HD2 PRO A 89 -2.798 -17.174 -15.329 1.00 64.34 H new ATOM 0 HD3 PRO A 89 -1.098 -17.216 -14.903 1.00 64.34 H new ATOM 1463 N ARG A 90 -4.109 -12.354 -14.859 1.00 53.51 N ATOM 1464 CA ARG A 90 -5.382 -11.669 -14.515 1.00 62.11 C ATOM 1465 C ARG A 90 -6.425 -11.841 -15.663 1.00 54.15 C ATOM 1466 O ARG A 90 -7.135 -10.896 -16.039 1.00 43.42 O ATOM 1467 CB ARG A 90 -5.077 -10.172 -14.199 1.00 53.14 C ATOM 1468 CG ARG A 90 -3.878 -9.964 -13.232 1.00 64.01 C ATOM 1469 CD ARG A 90 -3.666 -8.492 -12.826 1.00 11.22 C ATOM 1470 NE ARG A 90 -4.643 -8.050 -11.812 1.00 5.22 N ATOM 1471 CZ ARG A 90 -5.407 -6.982 -11.878 1.00 10.23 C ATOM 1472 NH1 ARG A 90 -5.467 -6.250 -12.944 1.00 12.23 N ATOM 1473 NH2 ARG A 90 -6.134 -6.668 -10.861 1.00 72.03 N ATOM 0 H ARG A 90 -3.449 -11.761 -15.361 1.00 53.51 H new ATOM 0 HA ARG A 90 -5.827 -12.120 -13.628 1.00 62.11 H new ATOM 0 HB2 ARG A 90 -4.873 -9.648 -15.133 1.00 53.14 H new ATOM 0 HB3 ARG A 90 -5.966 -9.714 -13.764 1.00 53.14 H new ATOM 0 HG2 ARG A 90 -4.037 -10.561 -12.334 1.00 64.01 H new ATOM 0 HG3 ARG A 90 -2.970 -10.337 -13.706 1.00 64.01 H new ATOM 0 HD2 ARG A 90 -2.656 -8.366 -12.435 1.00 11.22 H new ATOM 0 HD3 ARG A 90 -3.748 -7.858 -13.709 1.00 11.22 H new ATOM 0 HE ARG A 90 -4.735 -8.630 -10.978 1.00 5.22 H new ATOM 0 HH11 ARG A 90 -4.912 -6.496 -13.764 1.00 12.23 H new ATOM 0 HH12 ARG A 90 -6.069 -5.427 -12.964 1.00 12.23 H new ATOM 0 HH21 ARG A 90 -6.111 -7.245 -10.020 1.00 72.03 H new ATOM 0 HH22 ARG A 90 -6.732 -5.842 -10.897 1.00 72.03 H new ATOM 1487 N GLY A 91 -6.536 -13.093 -16.164 1.00 52.21 N ATOM 1488 CA GLY A 91 -7.411 -13.445 -17.301 1.00 15.32 C ATOM 1489 C GLY A 91 -6.779 -13.165 -18.674 1.00 63.32 C ATOM 1490 O GLY A 91 -5.656 -12.649 -18.761 1.00 51.32 O ATOM 0 H GLY A 91 -6.019 -13.888 -15.788 1.00 52.21 H new ATOM 0 HA2 GLY A 91 -7.668 -14.502 -17.237 1.00 15.32 H new ATOM 0 HA3 GLY A 91 -8.343 -12.885 -17.218 1.00 15.32 H new ATOM 1494 N SER A 92 -7.505 -13.520 -19.752 1.00 44.45 N ATOM 1495 CA SER A 92 -7.110 -13.182 -21.145 1.00 72.43 C ATOM 1496 C SER A 92 -7.494 -11.722 -21.480 1.00 25.24 C ATOM 1497 O SER A 92 -6.782 -11.041 -22.230 1.00 73.35 O ATOM 1498 CB SER A 92 -7.790 -14.150 -22.145 1.00 1.22 C ATOM 1499 OG SER A 92 -9.211 -14.088 -22.049 1.00 35.11 O ATOM 0 H SER A 92 -8.377 -14.046 -19.689 1.00 44.45 H new ATOM 0 HA SER A 92 -6.028 -13.286 -21.230 1.00 72.43 H new ATOM 0 HB2 SER A 92 -7.482 -13.901 -23.160 1.00 1.22 H new ATOM 0 HB3 SER A 92 -7.455 -15.169 -21.951 1.00 1.22 H new ATOM 0 HG SER A 92 -9.610 -14.709 -22.694 1.00 35.11 H new ATOM 1505 N TYR A 93 -8.639 -11.291 -20.904 1.00 2.20 N ATOM 1506 CA TYR A 93 -9.182 -9.917 -20.984 1.00 62.25 C ATOM 1507 C TYR A 93 -9.746 -9.598 -22.397 1.00 40.33 C ATOM 1508 O TYR A 93 -8.999 -9.228 -23.315 1.00 25.43 O ATOM 1509 CB TYR A 93 -8.133 -8.858 -20.522 1.00 2.22 C ATOM 1510 CG TYR A 93 -8.746 -7.545 -19.997 1.00 55.12 C ATOM 1511 CD1 TYR A 93 -9.153 -7.437 -18.663 1.00 41.33 C ATOM 1512 CD2 TYR A 93 -8.915 -6.426 -20.820 1.00 41.31 C ATOM 1513 CE1 TYR A 93 -9.705 -6.270 -18.175 1.00 51.13 C ATOM 1514 CE2 TYR A 93 -9.466 -5.255 -20.330 1.00 1.11 C ATOM 1515 CZ TYR A 93 -9.856 -5.186 -19.007 1.00 20.22 C ATOM 1516 OH TYR A 93 -10.400 -4.023 -18.512 1.00 35.24 O ATOM 0 H TYR A 93 -9.230 -11.912 -20.352 1.00 2.20 H new ATOM 0 HA TYR A 93 -10.021 -9.861 -20.291 1.00 62.25 H new ATOM 0 HB2 TYR A 93 -7.514 -9.295 -19.739 1.00 2.22 H new ATOM 0 HB3 TYR A 93 -7.473 -8.628 -21.359 1.00 2.22 H new ATOM 0 HD1 TYR A 93 -9.033 -8.283 -18.002 1.00 41.33 H new ATOM 0 HD2 TYR A 93 -8.610 -6.477 -21.855 1.00 41.31 H new ATOM 0 HE1 TYR A 93 -10.017 -6.209 -17.143 1.00 51.13 H new ATOM 0 HE2 TYR A 93 -9.590 -4.400 -20.978 1.00 1.11 H new ATOM 0 HH TYR A 93 -10.803 -3.513 -19.245 1.00 35.24 H new ATOM 1526 N LEU A 94 -11.072 -9.770 -22.557 1.00 41.31 N ATOM 1527 CA LEU A 94 -11.781 -9.489 -23.830 1.00 4.44 C ATOM 1528 C LEU A 94 -12.077 -7.975 -23.982 1.00 41.34 C ATOM 1529 O LEU A 94 -12.269 -7.270 -22.982 1.00 35.52 O ATOM 1530 CB LEU A 94 -13.103 -10.310 -23.936 1.00 45.10 C ATOM 1531 CG LEU A 94 -12.965 -11.861 -24.135 1.00 51.13 C ATOM 1532 CD1 LEU A 94 -12.417 -12.581 -22.878 1.00 25.14 C ATOM 1533 CD2 LEU A 94 -14.310 -12.477 -24.593 1.00 73.33 C ATOM 0 H LEU A 94 -11.684 -10.106 -21.813 1.00 41.31 H new ATOM 0 HA LEU A 94 -11.122 -9.796 -24.643 1.00 4.44 H new ATOM 0 HB2 LEU A 94 -13.684 -10.135 -23.030 1.00 45.10 H new ATOM 0 HB3 LEU A 94 -13.683 -9.912 -24.769 1.00 45.10 H new ATOM 0 HG LEU A 94 -12.227 -12.015 -24.922 1.00 51.13 H new ATOM 0 HD11 LEU A 94 -12.343 -13.651 -23.075 1.00 25.14 H new ATOM 0 HD12 LEU A 94 -11.430 -12.188 -22.635 1.00 25.14 H new ATOM 0 HD13 LEU A 94 -13.092 -12.412 -22.039 1.00 25.14 H new ATOM 0 HD21 LEU A 94 -14.191 -13.552 -24.725 1.00 73.33 H new ATOM 0 HD22 LEU A 94 -15.073 -12.286 -23.839 1.00 73.33 H new ATOM 0 HD23 LEU A 94 -14.613 -12.027 -25.538 1.00 73.33 H new ATOM 1545 N GLU A 95 -12.102 -7.510 -25.248 1.00 24.53 N ATOM 1546 CA GLU A 95 -12.305 -6.082 -25.629 1.00 70.20 C ATOM 1547 C GLU A 95 -11.161 -5.160 -25.080 1.00 21.24 C ATOM 1548 O GLU A 95 -10.210 -5.635 -24.446 1.00 21.54 O ATOM 1549 CB GLU A 95 -13.731 -5.572 -25.204 1.00 14.22 C ATOM 1550 CG GLU A 95 -14.300 -4.442 -26.097 1.00 24.54 C ATOM 1551 CD GLU A 95 -15.533 -3.746 -25.507 1.00 21.32 C ATOM 1552 OE1 GLU A 95 -16.616 -4.370 -25.457 1.00 53.20 O ATOM 1553 OE2 GLU A 95 -15.432 -2.559 -25.105 1.00 71.12 O ATOM 0 H GLU A 95 -11.980 -8.122 -26.055 1.00 24.53 H new ATOM 0 HA GLU A 95 -12.254 -6.026 -26.716 1.00 70.20 H new ATOM 0 HB2 GLU A 95 -14.424 -6.414 -25.219 1.00 14.22 H new ATOM 0 HB3 GLU A 95 -13.684 -5.216 -24.175 1.00 14.22 H new ATOM 0 HG2 GLU A 95 -13.521 -3.698 -26.266 1.00 24.54 H new ATOM 0 HG3 GLU A 95 -14.560 -4.858 -27.070 1.00 24.54 H new ATOM 1560 N HIS A 96 -11.245 -3.842 -25.349 1.00 31.03 N ATOM 1561 CA HIS A 96 -10.243 -2.859 -24.878 1.00 30.02 C ATOM 1562 C HIS A 96 -10.926 -1.483 -24.616 1.00 34.24 C ATOM 1563 O HIS A 96 -10.308 -0.428 -24.797 1.00 65.14 O ATOM 1564 CB HIS A 96 -9.097 -2.754 -25.940 1.00 61.02 C ATOM 1565 CG HIS A 96 -7.733 -2.401 -25.388 1.00 62.34 C ATOM 1566 ND1 HIS A 96 -6.593 -3.111 -25.704 1.00 33.44 N ATOM 1567 CD2 HIS A 96 -7.318 -1.399 -24.573 1.00 63.51 C ATOM 1568 CE1 HIS A 96 -5.554 -2.568 -25.112 1.00 64.44 C ATOM 1569 NE2 HIS A 96 -5.964 -1.529 -24.421 1.00 22.43 N ATOM 0 H HIS A 96 -12.002 -3.429 -25.894 1.00 31.03 H new ATOM 0 HA HIS A 96 -9.806 -3.185 -23.934 1.00 30.02 H new ATOM 0 HB2 HIS A 96 -9.023 -3.706 -26.465 1.00 61.02 H new ATOM 0 HB3 HIS A 96 -9.377 -2.003 -26.679 1.00 61.02 H new ATOM 0 HD2 HIS A 96 -7.941 -0.639 -24.126 1.00 63.51 H new ATOM 0 HE1 HIS A 96 -4.534 -2.917 -25.182 1.00 64.44 H new ATOM 0 HE2 HIS A 96 -5.369 -0.918 -23.861 1.00 22.43 H new ATOM 1578 N HIS A 97 -12.213 -1.526 -24.164 1.00 42.23 N ATOM 1579 CA HIS A 97 -13.021 -0.314 -23.810 1.00 52.24 C ATOM 1580 C HIS A 97 -13.201 0.661 -25.014 1.00 73.40 C ATOM 1581 O HIS A 97 -13.447 1.859 -24.826 1.00 42.33 O ATOM 1582 CB HIS A 97 -12.389 0.430 -22.589 1.00 31.03 C ATOM 1583 CG HIS A 97 -12.288 -0.395 -21.325 1.00 64.31 C ATOM 1584 ND1 HIS A 97 -12.981 -0.103 -20.170 1.00 71.13 N ATOM 1585 CD2 HIS A 97 -11.556 -1.498 -21.040 1.00 62.33 C ATOM 1586 CE1 HIS A 97 -12.684 -0.987 -19.242 1.00 2.15 C ATOM 1587 NE2 HIS A 97 -11.825 -1.842 -19.744 1.00 13.10 N ATOM 0 H HIS A 97 -12.722 -2.400 -24.034 1.00 42.23 H new ATOM 0 HA HIS A 97 -14.016 -0.666 -23.537 1.00 52.24 H new ATOM 0 HB2 HIS A 97 -11.391 0.769 -22.865 1.00 31.03 H new ATOM 0 HB3 HIS A 97 -12.981 1.321 -22.378 1.00 31.03 H new ATOM 0 HD1 HIS A 97 -13.626 0.679 -20.053 1.00 71.13 H new ATOM 0 HD2 HIS A 97 -10.884 -2.011 -21.712 1.00 62.33 H new ATOM 0 HE1 HIS A 97 -13.080 -1.006 -18.237 1.00 2.15 H new ATOM 1596 N HIS A 98 -13.130 0.122 -26.240 1.00 50.22 N ATOM 1597 CA HIS A 98 -13.093 0.926 -27.486 1.00 71.15 C ATOM 1598 C HIS A 98 -14.486 1.477 -27.904 1.00 1.24 C ATOM 1599 O HIS A 98 -14.570 2.471 -28.635 1.00 55.43 O ATOM 1600 CB HIS A 98 -12.465 0.065 -28.605 1.00 74.15 C ATOM 1601 CG HIS A 98 -12.293 0.745 -29.936 1.00 62.22 C ATOM 1602 ND1 HIS A 98 -13.155 0.549 -30.990 1.00 52.04 N ATOM 1603 CD2 HIS A 98 -11.343 1.600 -30.388 1.00 53.22 C ATOM 1604 CE1 HIS A 98 -12.751 1.246 -32.024 1.00 24.21 C ATOM 1605 NE2 HIS A 98 -11.657 1.894 -31.691 1.00 34.23 N ATOM 0 H HIS A 98 -13.096 -0.884 -26.403 1.00 50.22 H new ATOM 0 HA HIS A 98 -12.482 1.810 -27.304 1.00 71.15 H new ATOM 0 HB2 HIS A 98 -11.489 -0.281 -28.266 1.00 74.15 H new ATOM 0 HB3 HIS A 98 -13.085 -0.820 -28.748 1.00 74.15 H new ATOM 0 HD2 HIS A 98 -10.500 1.978 -29.829 1.00 53.22 H new ATOM 0 HE1 HIS A 98 -13.236 1.282 -32.988 1.00 24.21 H new ATOM 0 HE2 HIS A 98 -11.127 2.515 -32.302 1.00 34.23 H new ATOM 1614 N HIS A 99 -15.574 0.846 -27.423 1.00 63.23 N ATOM 1615 CA HIS A 99 -16.958 1.256 -27.779 1.00 2.25 C ATOM 1616 C HIS A 99 -17.888 1.258 -26.547 1.00 62.24 C ATOM 1617 O HIS A 99 -17.595 0.627 -25.525 1.00 0.05 O ATOM 1618 CB HIS A 99 -17.532 0.337 -28.891 1.00 34.34 C ATOM 1619 CG HIS A 99 -17.826 -1.076 -28.456 1.00 73.13 C ATOM 1620 ND1 HIS A 99 -19.094 -1.514 -28.142 1.00 74.31 N ATOM 1621 CD2 HIS A 99 -17.016 -2.143 -28.281 1.00 34.34 C ATOM 1622 CE1 HIS A 99 -19.050 -2.776 -27.796 1.00 13.34 C ATOM 1623 NE2 HIS A 99 -17.805 -3.186 -27.874 1.00 64.22 N ATOM 0 H HIS A 99 -15.528 0.050 -26.787 1.00 63.23 H new ATOM 0 HA HIS A 99 -16.909 2.277 -28.158 1.00 2.25 H new ATOM 0 HB2 HIS A 99 -18.450 0.783 -29.273 1.00 34.34 H new ATOM 0 HB3 HIS A 99 -16.824 0.307 -29.719 1.00 34.34 H new ATOM 0 HD1 HIS A 99 -19.938 -0.942 -28.174 1.00 74.31 H new ATOM 0 HD2 HIS A 99 -15.947 -2.169 -28.433 1.00 34.34 H new ATOM 0 HE1 HIS A 99 -19.895 -3.378 -27.497 1.00 13.34 H new ATOM 1632 N HIS A 100 -19.020 1.966 -26.684 1.00 73.02 N ATOM 1633 CA HIS A 100 -20.061 2.072 -25.638 1.00 42.24 C ATOM 1634 C HIS A 100 -20.949 0.796 -25.602 1.00 35.10 C ATOM 1635 O HIS A 100 -21.083 0.089 -26.608 1.00 64.24 O ATOM 1636 CB HIS A 100 -20.926 3.339 -25.885 1.00 31.24 C ATOM 1637 CG HIS A 100 -20.162 4.644 -25.806 1.00 72.24 C ATOM 1638 ND1 HIS A 100 -20.449 5.638 -24.895 1.00 1.11 N ATOM 1639 CD2 HIS A 100 -19.118 5.112 -26.536 1.00 33.32 C ATOM 1640 CE1 HIS A 100 -19.629 6.650 -25.073 1.00 54.12 C ATOM 1641 NE2 HIS A 100 -18.809 6.358 -26.059 1.00 70.53 N ATOM 0 H HIS A 100 -19.245 2.488 -27.531 1.00 73.02 H new ATOM 0 HA HIS A 100 -19.573 2.160 -24.668 1.00 42.24 H new ATOM 0 HB2 HIS A 100 -21.388 3.262 -26.869 1.00 31.24 H new ATOM 0 HB3 HIS A 100 -21.734 3.360 -25.154 1.00 31.24 H new ATOM 0 HD2 HIS A 100 -18.622 4.596 -27.345 1.00 33.32 H new ATOM 0 HE1 HIS A 100 -19.629 7.568 -24.504 1.00 54.12 H new ATOM 0 HE2 HIS A 100 -18.065 6.961 -26.411 1.00 70.53 H new ATOM 1650 N HIS A 101 -21.553 0.518 -24.433 1.00 13.44 N ATOM 1651 CA HIS A 101 -22.305 -0.741 -24.177 1.00 22.42 C ATOM 1652 C HIS A 101 -23.822 -0.449 -23.930 1.00 1.53 C ATOM 1653 O HIS A 101 -24.247 -0.313 -22.758 1.00 38.81 O ATOM 1654 CB HIS A 101 -21.646 -1.479 -22.974 1.00 62.11 C ATOM 1655 CG HIS A 101 -20.164 -1.705 -23.150 1.00 51.11 C ATOM 1656 ND1 HIS A 101 -19.212 -0.855 -22.632 1.00 62.32 N ATOM 1657 CD2 HIS A 101 -19.478 -2.662 -23.821 1.00 63.53 C ATOM 1658 CE1 HIS A 101 -18.017 -1.275 -22.976 1.00 62.14 C ATOM 1659 NE2 HIS A 101 -18.148 -2.365 -23.695 1.00 31.04 N ATOM 1660 OXT HIS A 101 -24.579 -0.338 -24.917 1.00 38.81 O ATOM 0 H HIS A 101 -21.538 1.153 -23.635 1.00 13.44 H new ATOM 0 HA HIS A 101 -22.257 -1.387 -25.054 1.00 22.42 H new ATOM 0 HB2 HIS A 101 -21.813 -0.899 -22.066 1.00 62.11 H new ATOM 0 HB3 HIS A 101 -22.139 -2.441 -22.833 1.00 62.11 H new ATOM 0 HD1 HIS A 101 -19.406 -0.027 -22.068 1.00 62.32 H new ATOM 0 HD2 HIS A 101 -19.901 -3.501 -24.354 1.00 63.53 H new ATOM 0 HE1 HIS A 101 -17.082 -0.803 -22.712 1.00 62.14 H new TER 1669 HIS A 101