USER MOD reduce.3.24.130724 H: found=0, std=0, add=768, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 769 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 55 THR OG1 : rot 180:sc= 0.0205 USER MOD Set 1.2: A 57 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 25 ASN : amide:sc= -5.06 K(o=-4.6,f=-11!) USER MOD Set 2.2: A 29 LYS NZ :NH3+ -116:sc= 0.467 (180deg=0) USER MOD Single : A 1 MET CE :methyl -176:sc= -4.71! (180deg=-4.74!) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 GLN : amide:sc= -1.5 K(o=-1.5,f=-0.42) USER MOD Single : A 6 LYS NZ :NH3+ 165:sc= -1.37 (180deg=-1.61) USER MOD Single : A 7 THR OG1 : rot 180:sc= -0.0519 USER MOD Single : A 9 THR OG1 : rot 11:sc= 1.6 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= -1.12 USER MOD Single : A 14 THR OG1 : rot -56:sc= 1.18 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.0403 USER MOD Single : A 27 LYS NZ :NH3+ -111:sc= -6.46! (180deg=-12.6!) USER MOD Single : A 31 GLN : amide:sc= -1.11 K(o=-1.1,f=-8!) USER MOD Single : A 33 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0218) USER MOD Single : A 40 GLN : amide:sc= -1.1 X(o=-1.1,f=-0.69) USER MOD Single : A 41 GLN : amide:sc= -4.69 X(o=-4.7,f=-4.9) USER MOD Single : A 48 LYS NZ :NH3+ -129:sc= 0.0961 (180deg=-0.0659) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 TYR OH : rot -104:sc= 0.0832 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 GLN : amide:sc= -0.419 X(o=-0.42,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot -130:sc= -1.12 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0.0826 USER MOD Single : A 68 HIS : no HD1:sc= -0.464 X(o=-0.46,f=-0.7) USER MOD Single : B 23 THR OG1 : rot 180:sc= 0.0169 USER MOD Single : B 24 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 29 LYS NZ :NH3+ -142:sc= -0.203 (180deg=-1.17) USER MOD Single : B 33 SER OG : rot 180:sc= 0 USER MOD Single : B 37 GLN : amide:sc=-0.000394 X(o=-0.00039,f=0) USER MOD Single : B 39 MET CE :methyl -172:sc= 0 (180deg=-0.0751) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP B 22 3.550 2.464 -18.688 1.00 0.00 N ATOM 2 CA ASP B 22 3.104 2.312 -17.308 1.00 0.00 C ATOM 3 C ASP B 22 2.505 3.613 -16.784 1.00 0.00 C ATOM 4 O ASP B 22 2.628 3.932 -15.601 1.00 0.00 O ATOM 5 CB ASP B 22 4.269 1.878 -16.418 1.00 0.00 C ATOM 6 CG ASP B 22 4.666 0.433 -16.648 1.00 0.00 C ATOM 7 OD1 ASP B 22 4.461 -0.066 -17.775 1.00 0.00 O ATOM 8 OD2 ASP B 22 5.181 -0.199 -15.703 1.00 0.00 O1- ATOM 0 HA ASP B 22 2.333 1.542 -17.284 1.00 0.00 H new ATOM 0 HB2 ASP B 22 5.127 2.522 -16.608 1.00 0.00 H new ATOM 0 HB3 ASP B 22 3.994 2.014 -15.372 1.00 0.00 H new ATOM 13 N THR B 23 1.858 4.361 -17.672 1.00 0.00 N ATOM 14 CA THR B 23 1.239 5.629 -17.299 1.00 0.00 C ATOM 15 C THR B 23 0.199 5.428 -16.202 1.00 0.00 C ATOM 16 O THR B 23 -0.042 6.322 -15.390 1.00 0.00 O ATOM 17 CB THR B 23 0.590 6.281 -18.520 1.00 0.00 C ATOM 18 OG1 THR B 23 1.389 6.091 -19.675 1.00 0.00 O ATOM 19 CG2 THR B 23 0.367 7.769 -18.357 1.00 0.00 C ATOM 0 H THR B 23 1.748 4.111 -18.655 1.00 0.00 H new ATOM 0 HA THR B 23 2.020 6.286 -16.916 1.00 0.00 H new ATOM 0 HB THR B 23 -0.379 5.794 -18.625 1.00 0.00 H new ATOM 0 HG1 THR B 23 0.956 6.514 -20.446 1.00 0.00 H new ATOM 0 HG21 THR B 23 -0.096 8.168 -19.259 1.00 0.00 H new ATOM 0 HG22 THR B 23 -0.287 7.948 -17.504 1.00 0.00 H new ATOM 0 HG23 THR B 23 1.324 8.264 -18.191 1.00 0.00 H new ATOM 27 N GLN B 24 -0.416 4.250 -16.183 1.00 0.00 N ATOM 28 CA GLN B 24 -1.432 3.933 -15.186 1.00 0.00 C ATOM 29 C GLN B 24 -0.861 4.033 -13.774 1.00 0.00 C ATOM 30 O GLN B 24 -1.453 4.662 -12.898 1.00 0.00 O ATOM 31 CB GLN B 24 -1.989 2.528 -15.424 1.00 0.00 C ATOM 32 CG GLN B 24 -3.471 2.402 -15.111 1.00 0.00 C ATOM 33 CD GLN B 24 -3.950 0.963 -15.132 1.00 0.00 C ATOM 34 OE1 GLN B 24 -3.683 0.195 -14.207 1.00 0.00 O ATOM 35 NE2 GLN B 24 -4.662 0.591 -16.188 1.00 0.00 N ATOM 0 H GLN B 24 -0.228 3.499 -16.847 1.00 0.00 H new ATOM 0 HA GLN B 24 -2.239 4.659 -15.284 1.00 0.00 H new ATOM 0 HB2 GLN B 24 -1.821 2.251 -16.465 1.00 0.00 H new ATOM 0 HB3 GLN B 24 -1.435 1.817 -14.811 1.00 0.00 H new ATOM 0 HG2 GLN B 24 -3.669 2.833 -14.130 1.00 0.00 H new ATOM 0 HG3 GLN B 24 -4.042 2.982 -15.836 1.00 0.00 H new ATOM 0 HE21 GLN B 24 -4.860 1.261 -16.932 1.00 0.00 H new ATOM 0 HE22 GLN B 24 -5.012 -0.365 -16.256 1.00 0.00 H new ATOM 44 N ASP B 25 0.293 3.407 -13.562 1.00 0.00 N ATOM 45 CA ASP B 25 0.945 3.425 -12.257 1.00 0.00 C ATOM 46 C ASP B 25 1.900 4.610 -12.134 1.00 0.00 C ATOM 47 O ASP B 25 2.203 5.063 -11.031 1.00 0.00 O ATOM 48 CB ASP B 25 1.705 2.118 -12.026 1.00 0.00 C ATOM 49 CG ASP B 25 2.647 1.788 -13.169 1.00 0.00 C ATOM 50 OD1 ASP B 25 2.159 1.366 -14.237 1.00 0.00 O ATOM 51 OD2 ASP B 25 3.873 1.954 -12.993 1.00 0.00 O1- ATOM 0 H ASP B 25 0.796 2.881 -14.277 1.00 0.00 H new ATOM 0 HA ASP B 25 0.171 3.529 -11.497 1.00 0.00 H new ATOM 0 HB2 ASP B 25 2.274 2.190 -11.099 1.00 0.00 H new ATOM 0 HB3 ASP B 25 0.992 1.303 -11.900 1.00 0.00 H new ATOM 56 N ASP B 26 2.374 5.106 -13.273 1.00 0.00 N ATOM 57 CA ASP B 26 3.297 6.236 -13.291 1.00 0.00 C ATOM 58 C ASP B 26 2.637 7.504 -12.750 1.00 0.00 C ATOM 59 O ASP B 26 3.322 8.460 -12.389 1.00 0.00 O ATOM 60 CB ASP B 26 3.806 6.480 -14.713 1.00 0.00 C ATOM 61 CG ASP B 26 4.977 7.441 -14.750 1.00 0.00 C ATOM 62 OD1 ASP B 26 4.777 8.635 -14.441 1.00 0.00 O1- ATOM 63 OD2 ASP B 26 6.096 7.001 -15.088 1.00 0.00 O ATOM 0 H ASP B 26 2.134 4.743 -14.196 1.00 0.00 H new ATOM 0 HA ASP B 26 4.138 5.989 -12.643 1.00 0.00 H new ATOM 0 HB2 ASP B 26 4.105 5.530 -15.157 1.00 0.00 H new ATOM 0 HB3 ASP B 26 2.995 6.876 -15.323 1.00 0.00 H new ATOM 68 N PHE B 27 1.306 7.512 -12.702 1.00 0.00 N ATOM 69 CA PHE B 27 0.566 8.671 -12.208 1.00 0.00 C ATOM 70 C PHE B 27 1.095 9.127 -10.849 1.00 0.00 C ATOM 71 O PHE B 27 1.138 10.323 -10.559 1.00 0.00 O ATOM 72 CB PHE B 27 -0.930 8.350 -12.115 1.00 0.00 C ATOM 73 CG PHE B 27 -1.305 7.526 -10.913 1.00 0.00 C ATOM 74 CD1 PHE B 27 -0.812 6.240 -10.755 1.00 0.00 C ATOM 75 CD2 PHE B 27 -2.151 8.039 -9.942 1.00 0.00 C ATOM 76 CE1 PHE B 27 -1.156 5.483 -9.653 1.00 0.00 C ATOM 77 CE2 PHE B 27 -2.498 7.285 -8.837 1.00 0.00 C ATOM 78 CZ PHE B 27 -1.999 6.006 -8.691 1.00 0.00 C ATOM 0 H PHE B 27 0.720 6.732 -12.998 1.00 0.00 H new ATOM 0 HA PHE B 27 0.709 9.487 -12.917 1.00 0.00 H new ATOM 0 HB2 PHE B 27 -1.491 9.284 -12.092 1.00 0.00 H new ATOM 0 HB3 PHE B 27 -1.234 7.818 -13.017 1.00 0.00 H new ATOM 0 HD1 PHE B 27 -0.151 5.826 -11.502 1.00 0.00 H new ATOM 0 HD2 PHE B 27 -2.543 9.039 -10.050 1.00 0.00 H new ATOM 0 HE1 PHE B 27 -0.766 4.482 -9.543 1.00 0.00 H new ATOM 0 HE2 PHE B 27 -3.159 7.696 -8.088 1.00 0.00 H new ATOM 0 HZ PHE B 27 -2.267 5.416 -7.827 1.00 0.00 H new ATOM 88 N LEU B 28 1.495 8.168 -10.021 1.00 0.00 N ATOM 89 CA LEU B 28 2.019 8.474 -8.695 1.00 0.00 C ATOM 90 C LEU B 28 3.256 9.360 -8.791 1.00 0.00 C ATOM 91 O LEU B 28 3.512 10.184 -7.912 1.00 0.00 O ATOM 92 CB LEU B 28 2.356 7.185 -7.943 1.00 0.00 C ATOM 93 CG LEU B 28 2.704 7.371 -6.465 1.00 0.00 C ATOM 94 CD1 LEU B 28 1.620 8.169 -5.756 1.00 0.00 C ATOM 95 CD2 LEU B 28 2.901 6.020 -5.792 1.00 0.00 C ATOM 0 H LEU B 28 1.466 7.173 -10.244 1.00 0.00 H new ATOM 0 HA LEU B 28 1.249 9.014 -8.144 1.00 0.00 H new ATOM 0 HB2 LEU B 28 1.507 6.506 -8.018 1.00 0.00 H new ATOM 0 HB3 LEU B 28 3.196 6.701 -8.441 1.00 0.00 H new ATOM 0 HG LEU B 28 3.638 7.929 -6.398 1.00 0.00 H new ATOM 0 HD11 LEU B 28 1.886 8.291 -4.706 1.00 0.00 H new ATOM 0 HD12 LEU B 28 1.526 9.150 -6.223 1.00 0.00 H new ATOM 0 HD13 LEU B 28 0.670 7.639 -5.831 1.00 0.00 H new ATOM 0 HD21 LEU B 28 3.148 6.170 -4.741 1.00 0.00 H new ATOM 0 HD22 LEU B 28 1.983 5.438 -5.870 1.00 0.00 H new ATOM 0 HD23 LEU B 28 3.713 5.484 -6.283 1.00 0.00 H new ATOM 107 N LYS B 29 4.021 9.188 -9.866 1.00 0.00 N ATOM 108 CA LYS B 29 5.230 9.976 -10.078 1.00 0.00 C ATOM 109 C LYS B 29 4.911 11.467 -10.074 1.00 0.00 C ATOM 110 O LYS B 29 5.736 12.289 -9.674 1.00 0.00 O ATOM 111 CB LYS B 29 5.893 9.586 -11.401 1.00 0.00 C ATOM 112 CG LYS B 29 6.362 8.141 -11.443 1.00 0.00 C ATOM 113 CD LYS B 29 7.192 7.861 -12.686 1.00 0.00 C ATOM 114 CE LYS B 29 8.674 8.080 -12.427 1.00 0.00 C ATOM 115 NZ LYS B 29 9.042 9.521 -12.483 1.00 0.00 N1+ ATOM 0 H LYS B 29 3.825 8.510 -10.603 1.00 0.00 H new ATOM 0 HA LYS B 29 5.920 9.767 -9.260 1.00 0.00 H new ATOM 0 HB2 LYS B 29 5.188 9.754 -12.215 1.00 0.00 H new ATOM 0 HB3 LYS B 29 6.746 10.241 -11.578 1.00 0.00 H new ATOM 0 HG2 LYS B 29 6.952 7.923 -10.553 1.00 0.00 H new ATOM 0 HG3 LYS B 29 5.498 7.476 -11.423 1.00 0.00 H new ATOM 0 HD2 LYS B 29 7.026 6.834 -13.012 1.00 0.00 H new ATOM 0 HD3 LYS B 29 6.864 8.510 -13.498 1.00 0.00 H new ATOM 0 HE2 LYS B 29 8.935 7.677 -11.448 1.00 0.00 H new ATOM 0 HE3 LYS B 29 9.257 7.528 -13.165 1.00 0.00 H new ATOM 0 HZ1 LYS B 29 9.974 9.624 -12.934 1.00 0.00 H new ATOM 0 HZ2 LYS B 29 8.330 10.040 -13.036 1.00 0.00 H new ATOM 0 HZ3 LYS B 29 9.079 9.907 -11.518 1.00 0.00 H new ATOM 129 N TRP B 30 3.706 11.808 -10.520 1.00 0.00 N ATOM 130 CA TRP B 30 3.271 13.198 -10.565 1.00 0.00 C ATOM 131 C TRP B 30 3.170 13.778 -9.156 1.00 0.00 C ATOM 132 O TRP B 30 3.612 14.898 -8.901 1.00 0.00 O ATOM 133 CB TRP B 30 1.919 13.302 -11.282 1.00 0.00 C ATOM 134 CG TRP B 30 1.252 14.636 -11.125 1.00 0.00 C ATOM 135 CD1 TRP B 30 1.301 15.687 -11.996 1.00 0.00 C ATOM 136 CD2 TRP B 30 0.434 15.060 -10.029 1.00 0.00 C ATOM 137 NE1 TRP B 30 0.564 16.738 -11.506 1.00 0.00 N ATOM 138 CE2 TRP B 30 0.022 16.378 -10.301 1.00 0.00 C ATOM 139 CE3 TRP B 30 0.011 14.452 -8.843 1.00 0.00 C ATOM 140 CZ2 TRP B 30 -0.793 17.098 -9.430 1.00 0.00 C ATOM 141 CZ3 TRP B 30 -0.798 15.166 -7.981 1.00 0.00 C ATOM 142 CH2 TRP B 30 -1.194 16.477 -8.278 1.00 0.00 C ATOM 0 H TRP B 30 3.013 11.139 -10.856 1.00 0.00 H new ATOM 0 HA TRP B 30 4.011 13.775 -11.119 1.00 0.00 H new ATOM 0 HB2 TRP B 30 2.065 13.102 -12.343 1.00 0.00 H new ATOM 0 HB3 TRP B 30 1.255 12.527 -10.900 1.00 0.00 H new ATOM 0 HD1 TRP B 30 1.840 15.691 -12.932 1.00 0.00 H new ATOM 0 HE1 TRP B 30 0.441 17.640 -11.965 1.00 0.00 H new ATOM 0 HE3 TRP B 30 0.312 13.442 -8.605 1.00 0.00 H new ATOM 0 HZ2 TRP B 30 -1.097 18.109 -9.656 1.00 0.00 H new ATOM 0 HZ3 TRP B 30 -1.131 14.706 -7.062 1.00 0.00 H new ATOM 0 HH2 TRP B 30 -1.828 17.008 -7.584 1.00 0.00 H new ATOM 153 N TRP B 31 2.587 13.006 -8.245 1.00 0.00 N ATOM 154 CA TRP B 31 2.428 13.441 -6.862 1.00 0.00 C ATOM 155 C TRP B 31 3.764 13.416 -6.125 1.00 0.00 C ATOM 156 O TRP B 31 4.001 14.215 -5.221 1.00 0.00 O ATOM 157 CB TRP B 31 1.415 12.551 -6.139 1.00 0.00 C ATOM 158 CG TRP B 31 0.480 13.315 -5.252 1.00 0.00 C ATOM 159 CD1 TRP B 31 0.805 14.327 -4.397 1.00 0.00 C ATOM 160 CD2 TRP B 31 -0.935 13.127 -5.133 1.00 0.00 C ATOM 161 NE1 TRP B 31 -0.321 14.780 -3.752 1.00 0.00 N ATOM 162 CE2 TRP B 31 -1.401 14.059 -4.188 1.00 0.00 C ATOM 163 CE3 TRP B 31 -1.853 12.261 -5.734 1.00 0.00 C ATOM 164 CZ2 TRP B 31 -2.744 14.150 -3.830 1.00 0.00 C ATOM 165 CZ3 TRP B 31 -3.185 12.351 -5.379 1.00 0.00 C ATOM 166 CH2 TRP B 31 -3.620 13.290 -4.436 1.00 0.00 C ATOM 0 H TRP B 31 2.217 12.076 -8.439 1.00 0.00 H new ATOM 0 HA TRP B 31 2.059 14.467 -6.870 1.00 0.00 H new ATOM 0 HB2 TRP B 31 0.834 12.000 -6.878 1.00 0.00 H new ATOM 0 HB3 TRP B 31 1.951 11.814 -5.541 1.00 0.00 H new ATOM 0 HD1 TRP B 31 1.802 14.716 -4.249 1.00 0.00 H new ATOM 0 HE1 TRP B 31 -0.348 15.530 -3.062 1.00 0.00 H new ATOM 0 HE3 TRP B 31 -1.527 11.534 -6.463 1.00 0.00 H new ATOM 0 HZ2 TRP B 31 -3.082 14.872 -3.101 1.00 0.00 H new ATOM 0 HZ3 TRP B 31 -3.903 11.686 -5.836 1.00 0.00 H new ATOM 0 HH2 TRP B 31 -4.668 13.337 -4.181 1.00 0.00 H new ATOM 177 N ARG B 32 4.633 12.490 -6.520 1.00 0.00 N ATOM 178 CA ARG B 32 5.945 12.361 -5.897 1.00 0.00 C ATOM 179 C ARG B 32 6.750 13.648 -6.047 1.00 0.00 C ATOM 180 O ARG B 32 7.549 13.997 -5.178 1.00 0.00 O ATOM 181 CB ARG B 32 6.713 11.190 -6.515 1.00 0.00 C ATOM 182 CG ARG B 32 8.053 10.922 -5.849 1.00 0.00 C ATOM 183 CD ARG B 32 9.187 11.624 -6.578 1.00 0.00 C ATOM 184 NE ARG B 32 10.297 11.944 -5.684 1.00 0.00 N ATOM 185 CZ ARG B 32 11.179 11.047 -5.247 1.00 0.00 C ATOM 186 NH1 ARG B 32 11.084 9.777 -5.619 1.00 0.00 N1+ ATOM 187 NH2 ARG B 32 12.159 11.423 -4.437 1.00 0.00 N ATOM 0 H ARG B 32 4.452 11.820 -7.267 1.00 0.00 H new ATOM 0 HA ARG B 32 5.797 12.170 -4.834 1.00 0.00 H new ATOM 0 HB2 ARG B 32 6.100 10.291 -6.453 1.00 0.00 H new ATOM 0 HB3 ARG B 32 6.877 11.392 -7.574 1.00 0.00 H new ATOM 0 HG2 ARG B 32 8.020 11.260 -4.813 1.00 0.00 H new ATOM 0 HG3 ARG B 32 8.242 9.849 -5.828 1.00 0.00 H new ATOM 0 HD2 ARG B 32 9.545 10.989 -7.388 1.00 0.00 H new ATOM 0 HD3 ARG B 32 8.813 12.541 -7.034 1.00 0.00 H new ATOM 0 HE ARG B 32 10.403 12.911 -5.377 1.00 0.00 H new ATOM 0 HH11 ARG B 32 10.332 9.483 -6.243 1.00 0.00 H new ATOM 0 HH12 ARG B 32 11.762 9.094 -5.281 1.00 0.00 H new ATOM 0 HH21 ARG B 32 12.237 12.398 -4.149 1.00 0.00 H new ATOM 0 HH22 ARG B 32 12.835 10.737 -4.102 1.00 0.00 H new ATOM 201 N SER B 33 6.535 14.348 -7.155 1.00 0.00 N ATOM 202 CA SER B 33 7.241 15.597 -7.419 1.00 0.00 C ATOM 203 C SER B 33 6.366 16.800 -7.081 1.00 0.00 C ATOM 204 O SER B 33 6.867 17.853 -6.687 1.00 0.00 O ATOM 205 CB SER B 33 7.674 15.662 -8.885 1.00 0.00 C ATOM 206 OG SER B 33 7.747 14.367 -9.454 1.00 0.00 O ATOM 0 H SER B 33 5.878 14.072 -7.885 1.00 0.00 H new ATOM 0 HA SER B 33 8.126 15.626 -6.784 1.00 0.00 H new ATOM 0 HB2 SER B 33 6.968 16.271 -9.449 1.00 0.00 H new ATOM 0 HB3 SER B 33 8.646 16.150 -8.959 1.00 0.00 H new ATOM 0 HG SER B 33 8.024 14.437 -10.391 1.00 0.00 H new ATOM 212 N GLU B 34 5.055 16.636 -7.238 1.00 0.00 N ATOM 213 CA GLU B 34 4.111 17.709 -6.949 1.00 0.00 C ATOM 214 C GLU B 34 4.218 18.151 -5.494 1.00 0.00 C ATOM 215 O GLU B 34 4.005 19.320 -5.172 1.00 0.00 O ATOM 216 CB GLU B 34 2.682 17.253 -7.252 1.00 0.00 C ATOM 217 CG GLU B 34 1.662 18.379 -7.201 1.00 0.00 C ATOM 218 CD GLU B 34 1.058 18.555 -5.821 1.00 0.00 C ATOM 219 OE1 GLU B 34 0.216 17.719 -5.431 1.00 0.00 O ATOM 220 OE2 GLU B 34 1.427 19.530 -5.132 1.00 0.00 O1- ATOM 0 H GLU B 34 4.624 15.771 -7.563 1.00 0.00 H new ATOM 0 HA GLU B 34 4.358 18.558 -7.586 1.00 0.00 H new ATOM 0 HB2 GLU B 34 2.657 16.796 -8.241 1.00 0.00 H new ATOM 0 HB3 GLU B 34 2.396 16.482 -6.537 1.00 0.00 H new ATOM 0 HG2 GLU B 34 2.139 19.310 -7.507 1.00 0.00 H new ATOM 0 HG3 GLU B 34 0.867 18.177 -7.919 1.00 0.00 H new ATOM 227 N GLU B 35 4.552 17.209 -4.617 1.00 0.00 N ATOM 228 CA GLU B 35 4.689 17.502 -3.195 1.00 0.00 C ATOM 229 C GLU B 35 6.140 17.810 -2.841 1.00 0.00 C ATOM 230 O GLU B 35 6.414 18.588 -1.927 1.00 0.00 O ATOM 231 CB GLU B 35 4.186 16.323 -2.360 1.00 0.00 C ATOM 232 CG GLU B 35 4.964 15.037 -2.591 1.00 0.00 C ATOM 233 CD GLU B 35 5.951 14.745 -1.478 1.00 0.00 C ATOM 234 OE1 GLU B 35 5.547 14.799 -0.298 1.00 0.00 O1- ATOM 235 OE2 GLU B 35 7.128 14.464 -1.786 1.00 0.00 O ATOM 0 H GLU B 35 4.733 16.237 -4.866 1.00 0.00 H new ATOM 0 HA GLU B 35 4.085 18.381 -2.970 1.00 0.00 H new ATOM 0 HB2 GLU B 35 4.242 16.587 -1.304 1.00 0.00 H new ATOM 0 HB3 GLU B 35 3.135 16.148 -2.590 1.00 0.00 H new ATOM 0 HG2 GLU B 35 4.265 14.205 -2.680 1.00 0.00 H new ATOM 0 HG3 GLU B 35 5.500 15.106 -3.538 1.00 0.00 H new ATOM 242 N ALA B 36 7.065 17.195 -3.570 1.00 0.00 N ATOM 243 CA ALA B 36 8.488 17.404 -3.332 1.00 0.00 C ATOM 244 C ALA B 36 9.060 18.436 -4.298 1.00 0.00 C ATOM 245 O ALA B 36 10.193 18.307 -4.762 1.00 0.00 O ATOM 246 CB ALA B 36 9.242 16.088 -3.457 1.00 0.00 C ATOM 0 H ALA B 36 6.855 16.548 -4.330 1.00 0.00 H new ATOM 0 HA ALA B 36 8.610 17.786 -2.318 1.00 0.00 H new ATOM 0 HB1 ALA B 36 10.303 16.258 -3.277 1.00 0.00 H new ATOM 0 HB2 ALA B 36 8.859 15.378 -2.724 1.00 0.00 H new ATOM 0 HB3 ALA B 36 9.104 15.684 -4.460 1.00 0.00 H new ATOM 252 N GLN B 37 8.269 19.461 -4.598 1.00 0.00 N ATOM 253 CA GLN B 37 8.697 20.516 -5.508 1.00 0.00 C ATOM 254 C GLN B 37 9.321 21.678 -4.741 1.00 0.00 C ATOM 255 O GLN B 37 10.520 21.932 -4.848 1.00 0.00 O ATOM 256 CB GLN B 37 7.511 21.016 -6.337 1.00 0.00 C ATOM 257 CG GLN B 37 7.884 22.088 -7.347 1.00 0.00 C ATOM 258 CD GLN B 37 8.347 21.507 -8.669 1.00 0.00 C ATOM 259 OE1 GLN B 37 7.584 21.440 -9.632 1.00 0.00 O ATOM 260 NE2 GLN B 37 9.605 21.083 -8.721 1.00 0.00 N ATOM 0 H GLN B 37 7.328 19.583 -4.224 1.00 0.00 H new ATOM 0 HA GLN B 37 9.450 20.100 -6.177 1.00 0.00 H new ATOM 0 HB2 GLN B 37 7.065 20.172 -6.863 1.00 0.00 H new ATOM 0 HB3 GLN B 37 6.749 21.411 -5.665 1.00 0.00 H new ATOM 0 HG2 GLN B 37 7.024 22.734 -7.520 1.00 0.00 H new ATOM 0 HG3 GLN B 37 8.675 22.714 -6.932 1.00 0.00 H new ATOM 0 HE21 GLN B 37 10.203 21.158 -7.898 1.00 0.00 H new ATOM 0 HE22 GLN B 37 9.973 20.683 -9.584 1.00 0.00 H new ATOM 269 N ASP B 38 8.499 22.380 -3.968 1.00 0.00 N ATOM 270 CA ASP B 38 8.971 23.514 -3.182 1.00 0.00 C ATOM 271 C ASP B 38 9.198 23.112 -1.729 1.00 0.00 C ATOM 272 O ASP B 38 9.021 23.919 -0.816 1.00 0.00 O ATOM 273 CB ASP B 38 7.966 24.664 -3.254 1.00 0.00 C ATOM 274 CG ASP B 38 8.624 26.020 -3.087 1.00 0.00 C ATOM 275 OD1 ASP B 38 9.537 26.135 -2.242 1.00 0.00 O ATOM 276 OD2 ASP B 38 8.228 26.965 -3.800 1.00 0.00 O1- ATOM 0 H ASP B 38 7.503 22.184 -3.869 1.00 0.00 H new ATOM 0 HA ASP B 38 9.921 23.844 -3.601 1.00 0.00 H new ATOM 0 HB2 ASP B 38 7.448 24.630 -4.212 1.00 0.00 H new ATOM 0 HB3 ASP B 38 7.211 24.532 -2.479 1.00 0.00 H new ATOM 281 N MET B 39 9.590 21.859 -1.521 1.00 0.00 N ATOM 282 CA MET B 39 9.842 21.351 -0.177 1.00 0.00 C ATOM 283 C MET B 39 8.584 21.433 0.680 1.00 0.00 C ATOM 284 O MET B 39 8.336 22.442 1.340 1.00 0.00 O ATOM 285 CB MET B 39 10.977 22.135 0.485 1.00 0.00 C ATOM 286 CG MET B 39 11.790 21.313 1.471 1.00 0.00 C ATOM 287 SD MET B 39 12.331 22.276 2.897 1.00 0.00 S ATOM 288 CE MET B 39 13.291 23.557 2.095 1.00 0.00 C ATOM 0 H MET B 39 9.740 21.177 -2.265 1.00 0.00 H new ATOM 0 HA MET B 39 10.135 20.305 -0.261 1.00 0.00 H new ATOM 0 HB2 MET B 39 11.641 22.520 -0.289 1.00 0.00 H new ATOM 0 HB3 MET B 39 10.558 22.998 1.003 1.00 0.00 H new ATOM 0 HG2 MET B 39 11.193 20.468 1.813 1.00 0.00 H new ATOM 0 HG3 MET B 39 12.662 20.902 0.963 1.00 0.00 H new ATOM 0 HE1 MET B 39 13.809 24.149 2.849 1.00 0.00 H new ATOM 0 HE2 MET B 39 14.021 23.100 1.427 1.00 0.00 H new ATOM 0 HE3 MET B 39 12.627 24.203 1.520 1.00 0.00 H new ATOM 298 N GLY B 40 7.792 20.366 0.665 1.00 0.00 N ATOM 299 CA GLY B 40 6.569 20.339 1.446 1.00 0.00 C ATOM 300 C GLY B 40 5.546 19.369 0.888 1.00 0.00 C ATOM 301 O GLY B 40 5.533 18.201 1.329 1.00 0.00 O ATOM 302 OXT GLY B 40 4.757 19.778 0.010 1.00 0.00 O ATOM 0 H GLY B 40 7.975 19.520 0.126 1.00 0.00 H new ATOM 0 HA2 GLY B 40 6.804 20.063 2.474 1.00 0.00 H new ATOM 0 HA3 GLY B 40 6.138 21.340 1.475 1.00 0.00 H new TER 306 GLY B 40 ATOM 307 N MET A 1 -5.291 -10.369 8.316 1.00 0.00 N ATOM 308 CA MET A 1 -5.103 -9.475 7.143 1.00 0.00 C ATOM 309 C MET A 1 -4.079 -8.385 7.439 1.00 0.00 C ATOM 310 O MET A 1 -4.398 -7.373 8.064 1.00 0.00 O ATOM 311 CB MET A 1 -6.453 -8.849 6.787 1.00 0.00 C ATOM 312 CG MET A 1 -6.459 -8.140 5.444 1.00 0.00 C ATOM 313 SD MET A 1 -8.120 -7.695 4.904 1.00 0.00 S ATOM 314 CE MET A 1 -7.810 -6.085 4.189 1.00 0.00 C ATOM 0 H1 MET A 1 -5.993 -11.101 8.086 1.00 0.00 H new ATOM 0 H2 MET A 1 -4.386 -10.821 8.557 1.00 0.00 H new ATOM 0 H3 MET A 1 -5.626 -9.811 9.127 1.00 0.00 H new ATOM 0 HA MET A 1 -4.726 -10.060 6.304 1.00 0.00 H new ATOM 0 HB2 MET A 1 -7.215 -9.628 6.780 1.00 0.00 H new ATOM 0 HB3 MET A 1 -6.731 -8.138 7.565 1.00 0.00 H new ATOM 0 HG2 MET A 1 -5.849 -7.239 5.510 1.00 0.00 H new ATOM 0 HG3 MET A 1 -5.998 -8.784 4.695 1.00 0.00 H new ATOM 0 HE1 MET A 1 -8.753 -5.640 3.871 1.00 0.00 H new ATOM 0 HE2 MET A 1 -7.338 -5.442 4.932 1.00 0.00 H new ATOM 0 HE3 MET A 1 -7.150 -6.190 3.328 1.00 0.00 H new ATOM 326 N GLN A 2 -2.847 -8.600 6.988 1.00 0.00 N ATOM 327 CA GLN A 2 -1.774 -7.635 7.205 1.00 0.00 C ATOM 328 C GLN A 2 -1.382 -6.959 5.896 1.00 0.00 C ATOM 329 O GLN A 2 -0.565 -7.482 5.139 1.00 0.00 O ATOM 330 CB GLN A 2 -0.548 -8.321 7.818 1.00 0.00 C ATOM 331 CG GLN A 2 -0.886 -9.495 8.723 1.00 0.00 C ATOM 332 CD GLN A 2 0.241 -9.840 9.676 1.00 0.00 C ATOM 333 OE1 GLN A 2 0.695 -10.983 9.732 1.00 0.00 O ATOM 334 NE2 GLN A 2 0.699 -8.850 10.434 1.00 0.00 N ATOM 0 H GLN A 2 -2.567 -9.433 6.470 1.00 0.00 H new ATOM 0 HA GLN A 2 -2.141 -6.877 7.897 1.00 0.00 H new ATOM 0 HB2 GLN A 2 0.101 -8.670 7.014 1.00 0.00 H new ATOM 0 HB3 GLN A 2 0.019 -7.586 8.389 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -1.783 -9.260 9.297 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -1.118 -10.366 8.110 1.00 0.00 H new ATOM 0 HE21 GLN A 2 0.293 -7.917 10.355 1.00 0.00 H new ATOM 0 HE22 GLN A 2 1.456 -9.022 11.095 1.00 0.00 H new ATOM 343 N ILE A 3 -1.962 -5.790 5.636 1.00 0.00 N ATOM 344 CA ILE A 3 -1.662 -5.049 4.418 1.00 0.00 C ATOM 345 C ILE A 3 -0.402 -4.212 4.592 1.00 0.00 C ATOM 346 O ILE A 3 -0.183 -3.622 5.648 1.00 0.00 O ATOM 347 CB ILE A 3 -2.827 -4.123 4.016 1.00 0.00 C ATOM 348 CG1 ILE A 3 -3.206 -3.210 5.183 1.00 0.00 C ATOM 349 CG2 ILE A 3 -4.025 -4.944 3.566 1.00 0.00 C ATOM 350 CD1 ILE A 3 -3.677 -1.845 4.753 1.00 0.00 C ATOM 0 H ILE A 3 -2.639 -5.339 6.251 1.00 0.00 H new ATOM 0 HA ILE A 3 -1.508 -5.784 3.628 1.00 0.00 H new ATOM 0 HB ILE A 3 -2.506 -3.500 3.181 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -3.992 -3.689 5.768 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -2.344 -3.097 5.840 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -4.839 -4.276 3.285 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -3.745 -5.556 2.708 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -4.350 -5.590 4.381 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -3.928 -1.253 5.633 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -2.885 -1.346 4.194 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -4.559 -1.947 4.120 1.00 0.00 H new ATOM 362 N PHE A 4 0.428 -4.168 3.557 1.00 0.00 N ATOM 363 CA PHE A 4 1.666 -3.404 3.620 1.00 0.00 C ATOM 364 C PHE A 4 1.488 -2.014 3.022 1.00 0.00 C ATOM 365 O PHE A 4 1.450 -1.847 1.804 1.00 0.00 O ATOM 366 CB PHE A 4 2.798 -4.151 2.909 1.00 0.00 C ATOM 367 CG PHE A 4 3.850 -4.648 3.856 1.00 0.00 C ATOM 368 CD1 PHE A 4 4.458 -3.776 4.741 1.00 0.00 C ATOM 369 CD2 PHE A 4 4.217 -5.983 3.877 1.00 0.00 C ATOM 370 CE1 PHE A 4 5.415 -4.220 5.633 1.00 0.00 C ATOM 371 CE2 PHE A 4 5.173 -6.438 4.766 1.00 0.00 C ATOM 372 CZ PHE A 4 5.773 -5.555 5.646 1.00 0.00 C ATOM 0 H PHE A 4 0.268 -4.648 2.671 1.00 0.00 H new ATOM 0 HA PHE A 4 1.932 -3.287 4.671 1.00 0.00 H new ATOM 0 HB2 PHE A 4 2.381 -4.995 2.360 1.00 0.00 H new ATOM 0 HB3 PHE A 4 3.259 -3.490 2.175 1.00 0.00 H new ATOM 0 HD1 PHE A 4 4.180 -2.732 4.735 1.00 0.00 H new ATOM 0 HD2 PHE A 4 3.752 -6.676 3.192 1.00 0.00 H new ATOM 0 HE1 PHE A 4 5.881 -3.527 6.317 1.00 0.00 H new ATOM 0 HE2 PHE A 4 5.451 -7.482 4.774 1.00 0.00 H new ATOM 0 HZ PHE A 4 6.520 -5.908 6.342 1.00 0.00 H new ATOM 382 N VAL A 5 1.388 -1.016 3.892 1.00 0.00 N ATOM 383 CA VAL A 5 1.224 0.362 3.454 1.00 0.00 C ATOM 384 C VAL A 5 2.556 0.931 2.983 1.00 0.00 C ATOM 385 O VAL A 5 3.436 1.231 3.792 1.00 0.00 O ATOM 386 CB VAL A 5 0.658 1.249 4.579 1.00 0.00 C ATOM 387 CG1 VAL A 5 0.413 2.665 4.077 1.00 0.00 C ATOM 388 CG2 VAL A 5 -0.622 0.646 5.140 1.00 0.00 C ATOM 0 H VAL A 5 1.418 -1.137 4.904 1.00 0.00 H new ATOM 0 HA VAL A 5 0.514 0.359 2.627 1.00 0.00 H new ATOM 0 HB VAL A 5 1.394 1.297 5.381 1.00 0.00 H new ATOM 0 HG11 VAL A 5 0.013 3.274 4.888 1.00 0.00 H new ATOM 0 HG12 VAL A 5 1.352 3.095 3.729 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -0.302 2.641 3.255 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -1.008 1.286 5.934 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -1.364 0.565 4.346 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -0.411 -0.345 5.543 1.00 0.00 H new ATOM 398 N LYS A 6 2.701 1.066 1.669 1.00 0.00 N ATOM 399 CA LYS A 6 3.928 1.589 1.084 1.00 0.00 C ATOM 400 C LYS A 6 3.748 3.037 0.640 1.00 0.00 C ATOM 401 O LYS A 6 2.751 3.383 0.007 1.00 0.00 O ATOM 402 CB LYS A 6 4.352 0.729 -0.108 1.00 0.00 C ATOM 403 CG LYS A 6 5.705 1.110 -0.684 1.00 0.00 C ATOM 404 CD LYS A 6 5.738 0.933 -2.192 1.00 0.00 C ATOM 405 CE LYS A 6 6.681 1.927 -2.850 1.00 0.00 C ATOM 406 NZ LYS A 6 7.927 1.272 -3.339 1.00 0.00 N1+ ATOM 0 H LYS A 6 1.982 0.820 0.989 1.00 0.00 H new ATOM 0 HA LYS A 6 4.707 1.557 1.846 1.00 0.00 H new ATOM 0 HB2 LYS A 6 4.379 -0.316 0.201 1.00 0.00 H new ATOM 0 HB3 LYS A 6 3.598 0.811 -0.891 1.00 0.00 H new ATOM 0 HG2 LYS A 6 5.929 2.147 -0.433 1.00 0.00 H new ATOM 0 HG3 LYS A 6 6.482 0.496 -0.228 1.00 0.00 H new ATOM 0 HD2 LYS A 6 6.052 -0.082 -2.433 1.00 0.00 H new ATOM 0 HD3 LYS A 6 4.734 1.060 -2.596 1.00 0.00 H new ATOM 0 HE2 LYS A 6 6.174 2.411 -3.685 1.00 0.00 H new ATOM 0 HE3 LYS A 6 6.938 2.710 -2.137 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 8.421 1.911 -3.994 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 8.546 1.057 -2.531 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 7.684 0.390 -3.833 1.00 0.00 H new ATOM 420 N THR A 7 4.721 3.878 0.974 1.00 0.00 N ATOM 421 CA THR A 7 4.672 5.288 0.606 1.00 0.00 C ATOM 422 C THR A 7 5.239 5.496 -0.796 1.00 0.00 C ATOM 423 O THR A 7 5.354 4.548 -1.573 1.00 0.00 O ATOM 424 CB THR A 7 5.449 6.133 1.621 1.00 0.00 C ATOM 425 OG1 THR A 7 6.839 6.092 1.350 1.00 0.00 O ATOM 426 CG2 THR A 7 5.247 5.687 3.055 1.00 0.00 C ATOM 0 H THR A 7 5.553 3.608 1.499 1.00 0.00 H new ATOM 0 HA THR A 7 3.630 5.607 0.610 1.00 0.00 H new ATOM 0 HB THR A 7 5.055 7.144 1.514 1.00 0.00 H new ATOM 0 HG1 THR A 7 7.317 6.639 2.008 1.00 0.00 H new ATOM 0 HG21 THR A 7 5.825 6.328 3.720 1.00 0.00 H new ATOM 0 HG22 THR A 7 4.190 5.757 3.312 1.00 0.00 H new ATOM 0 HG23 THR A 7 5.580 4.655 3.165 1.00 0.00 H new ATOM 434 N LEU A 8 5.591 6.738 -1.116 1.00 0.00 N ATOM 435 CA LEU A 8 6.145 7.060 -2.427 1.00 0.00 C ATOM 436 C LEU A 8 7.542 6.466 -2.588 1.00 0.00 C ATOM 437 O LEU A 8 8.532 7.192 -2.666 1.00 0.00 O ATOM 438 CB LEU A 8 6.194 8.576 -2.623 1.00 0.00 C ATOM 439 CG LEU A 8 4.829 9.257 -2.755 1.00 0.00 C ATOM 440 CD1 LEU A 8 4.770 10.524 -1.920 1.00 0.00 C ATOM 441 CD2 LEU A 8 4.536 9.592 -4.203 1.00 0.00 C ATOM 0 H LEU A 8 5.503 7.536 -0.487 1.00 0.00 H new ATOM 0 HA LEU A 8 5.496 6.624 -3.187 1.00 0.00 H new ATOM 0 HB2 LEU A 8 6.724 9.019 -1.780 1.00 0.00 H new ATOM 0 HB3 LEU A 8 6.779 8.793 -3.517 1.00 0.00 H new ATOM 0 HG LEU A 8 4.076 8.559 -2.390 1.00 0.00 H new ATOM 0 HD11 LEU A 8 3.790 10.988 -2.032 1.00 0.00 H new ATOM 0 HD12 LEU A 8 4.937 10.277 -0.872 1.00 0.00 H new ATOM 0 HD13 LEU A 8 5.540 11.218 -2.257 1.00 0.00 H new ATOM 0 HD21 LEU A 8 3.562 10.075 -4.275 1.00 0.00 H new ATOM 0 HD22 LEU A 8 5.304 10.266 -4.583 1.00 0.00 H new ATOM 0 HD23 LEU A 8 4.531 8.676 -4.795 1.00 0.00 H new ATOM 453 N THR A 9 7.612 5.138 -2.636 1.00 0.00 N ATOM 454 CA THR A 9 8.884 4.439 -2.788 1.00 0.00 C ATOM 455 C THR A 9 9.885 4.889 -1.728 1.00 0.00 C ATOM 456 O THR A 9 10.744 5.732 -1.989 1.00 0.00 O ATOM 457 CB THR A 9 9.460 4.678 -4.185 1.00 0.00 C ATOM 458 OG1 THR A 9 9.937 6.005 -4.314 1.00 0.00 O ATOM 459 CG2 THR A 9 8.455 4.442 -5.293 1.00 0.00 C ATOM 0 H THR A 9 6.800 4.524 -2.572 1.00 0.00 H new ATOM 0 HA THR A 9 8.700 3.373 -2.657 1.00 0.00 H new ATOM 0 HB THR A 9 10.271 3.957 -4.289 1.00 0.00 H new ATOM 0 HG1 THR A 9 9.956 6.433 -3.433 1.00 0.00 H new ATOM 0 HG21 THR A 9 8.927 4.629 -6.258 1.00 0.00 H new ATOM 0 HG22 THR A 9 8.105 3.410 -5.253 1.00 0.00 H new ATOM 0 HG23 THR A 9 7.609 5.117 -5.166 1.00 0.00 H new ATOM 467 N GLY A 10 9.770 4.322 -0.530 1.00 0.00 N ATOM 468 CA GLY A 10 10.675 4.685 0.544 1.00 0.00 C ATOM 469 C GLY A 10 10.440 3.887 1.814 1.00 0.00 C ATOM 470 O GLY A 10 11.387 3.565 2.532 1.00 0.00 O ATOM 0 H GLY A 10 9.070 3.622 -0.286 1.00 0.00 H new ATOM 0 HA2 GLY A 10 11.702 4.535 0.212 1.00 0.00 H new ATOM 0 HA3 GLY A 10 10.563 5.747 0.763 1.00 0.00 H new ATOM 474 N LYS A 11 9.179 3.572 2.101 1.00 0.00 N ATOM 475 CA LYS A 11 8.842 2.817 3.302 1.00 0.00 C ATOM 476 C LYS A 11 7.586 1.974 3.102 1.00 0.00 C ATOM 477 O LYS A 11 6.681 2.351 2.358 1.00 0.00 O ATOM 478 CB LYS A 11 8.642 3.768 4.484 1.00 0.00 C ATOM 479 CG LYS A 11 8.409 3.060 5.811 1.00 0.00 C ATOM 480 CD LYS A 11 9.705 2.579 6.424 1.00 0.00 C ATOM 481 CE LYS A 11 9.588 1.151 6.933 1.00 0.00 C ATOM 482 NZ LYS A 11 10.922 0.518 7.125 1.00 0.00 N1+ ATOM 0 H LYS A 11 8.379 3.827 1.521 1.00 0.00 H new ATOM 0 HA LYS A 11 9.672 2.143 3.511 1.00 0.00 H new ATOM 0 HB2 LYS A 11 9.519 4.409 4.574 1.00 0.00 H new ATOM 0 HB3 LYS A 11 7.792 4.418 4.276 1.00 0.00 H new ATOM 0 HG2 LYS A 11 7.909 3.738 6.502 1.00 0.00 H new ATOM 0 HG3 LYS A 11 7.742 2.212 5.659 1.00 0.00 H new ATOM 0 HD2 LYS A 11 10.502 2.637 5.683 1.00 0.00 H new ATOM 0 HD3 LYS A 11 9.985 3.237 7.246 1.00 0.00 H new ATOM 0 HE2 LYS A 11 9.045 1.146 7.878 1.00 0.00 H new ATOM 0 HE3 LYS A 11 9.004 0.561 6.227 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 10.798 -0.454 7.473 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 11.431 0.499 6.218 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 11.470 1.066 7.818 1.00 0.00 H new ATOM 496 N THR A 12 7.542 0.835 3.786 1.00 0.00 N ATOM 497 CA THR A 12 6.405 -0.076 3.712 1.00 0.00 C ATOM 498 C THR A 12 6.214 -0.770 5.056 1.00 0.00 C ATOM 499 O THR A 12 7.132 -1.415 5.562 1.00 0.00 O ATOM 500 CB THR A 12 6.622 -1.115 2.612 1.00 0.00 C ATOM 501 OG1 THR A 12 7.345 -0.557 1.529 1.00 0.00 O ATOM 502 CG2 THR A 12 5.331 -1.680 2.059 1.00 0.00 C ATOM 0 H THR A 12 8.289 0.519 4.404 1.00 0.00 H new ATOM 0 HA THR A 12 5.510 0.498 3.473 1.00 0.00 H new ATOM 0 HB THR A 12 7.181 -1.923 3.085 1.00 0.00 H new ATOM 0 HG1 THR A 12 7.475 -1.238 0.837 1.00 0.00 H new ATOM 0 HG21 THR A 12 5.557 -2.411 1.283 1.00 0.00 H new ATOM 0 HG22 THR A 12 4.772 -2.163 2.861 1.00 0.00 H new ATOM 0 HG23 THR A 12 4.733 -0.873 1.635 1.00 0.00 H new ATOM 510 N ILE A 13 5.031 -0.622 5.647 1.00 0.00 N ATOM 511 CA ILE A 13 4.765 -1.231 6.947 1.00 0.00 C ATOM 512 C ILE A 13 3.550 -2.153 6.932 1.00 0.00 C ATOM 513 O ILE A 13 2.544 -1.871 6.282 1.00 0.00 O ATOM 514 CB ILE A 13 4.548 -0.164 8.034 1.00 0.00 C ATOM 515 CG1 ILE A 13 5.789 0.692 8.198 1.00 0.00 C ATOM 516 CG2 ILE A 13 4.211 -0.825 9.345 1.00 0.00 C ATOM 517 CD1 ILE A 13 7.009 -0.111 8.530 1.00 0.00 C ATOM 0 H ILE A 13 4.252 -0.094 5.254 1.00 0.00 H new ATOM 0 HA ILE A 13 5.651 -1.824 7.174 1.00 0.00 H new ATOM 0 HB ILE A 13 3.720 0.475 7.728 1.00 0.00 H new ATOM 0 HG12 ILE A 13 5.965 1.248 7.277 1.00 0.00 H new ATOM 0 HG13 ILE A 13 5.617 1.426 8.986 1.00 0.00 H new ATOM 0 HG21 ILE A 13 4.059 -0.062 10.109 1.00 0.00 H new ATOM 0 HG22 ILE A 13 3.300 -1.412 9.233 1.00 0.00 H new ATOM 0 HG23 ILE A 13 5.030 -1.479 9.644 1.00 0.00 H new ATOM 0 HD11 ILE A 13 7.865 0.555 8.635 1.00 0.00 H new ATOM 0 HD12 ILE A 13 6.849 -0.647 9.466 1.00 0.00 H new ATOM 0 HD13 ILE A 13 7.202 -0.827 7.731 1.00 0.00 H new ATOM 529 N THR A 14 3.653 -3.250 7.682 1.00 0.00 N ATOM 530 CA THR A 14 2.565 -4.211 7.791 1.00 0.00 C ATOM 531 C THR A 14 1.525 -3.700 8.776 1.00 0.00 C ATOM 532 O THR A 14 1.781 -3.615 9.977 1.00 0.00 O ATOM 533 CB THR A 14 3.090 -5.574 8.246 1.00 0.00 C ATOM 534 OG1 THR A 14 4.484 -5.679 8.021 1.00 0.00 O ATOM 535 CG2 THR A 14 2.420 -6.736 7.545 1.00 0.00 C ATOM 0 H THR A 14 4.483 -3.492 8.223 1.00 0.00 H new ATOM 0 HA THR A 14 2.106 -4.330 6.809 1.00 0.00 H new ATOM 0 HB THR A 14 2.860 -5.631 9.310 1.00 0.00 H new ATOM 0 HG1 THR A 14 4.677 -5.504 7.076 1.00 0.00 H new ATOM 0 HG21 THR A 14 2.838 -7.673 7.913 1.00 0.00 H new ATOM 0 HG22 THR A 14 1.349 -6.713 7.745 1.00 0.00 H new ATOM 0 HG23 THR A 14 2.590 -6.660 6.471 1.00 0.00 H new ATOM 543 N LEU A 15 0.361 -3.342 8.260 1.00 0.00 N ATOM 544 CA LEU A 15 -0.711 -2.817 9.090 1.00 0.00 C ATOM 545 C LEU A 15 -1.975 -3.661 8.950 1.00 0.00 C ATOM 546 O LEU A 15 -2.397 -3.992 7.840 1.00 0.00 O ATOM 547 CB LEU A 15 -0.979 -1.361 8.706 1.00 0.00 C ATOM 548 CG LEU A 15 -1.662 -0.510 9.775 1.00 0.00 C ATOM 549 CD1 LEU A 15 -2.962 -1.155 10.219 1.00 0.00 C ATOM 550 CD2 LEU A 15 -0.734 -0.302 10.963 1.00 0.00 C ATOM 0 H LEU A 15 0.134 -3.406 7.268 1.00 0.00 H new ATOM 0 HA LEU A 15 -0.407 -2.860 10.136 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -0.030 -0.892 8.446 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -1.597 -1.349 7.808 1.00 0.00 H new ATOM 0 HG LEU A 15 -1.893 0.464 9.345 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -3.434 -0.535 10.981 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -3.631 -1.252 9.364 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -2.756 -2.142 10.632 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -1.236 0.306 11.715 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -0.472 -1.268 11.394 1.00 0.00 H new ATOM 0 HD23 LEU A 15 0.172 0.205 10.632 1.00 0.00 H new ATOM 562 N GLU A 16 -2.567 -4.015 10.087 1.00 0.00 N ATOM 563 CA GLU A 16 -3.774 -4.829 10.104 1.00 0.00 C ATOM 564 C GLU A 16 -5.024 -3.960 10.005 1.00 0.00 C ATOM 565 O GLU A 16 -5.187 -2.999 10.757 1.00 0.00 O ATOM 566 CB GLU A 16 -3.820 -5.667 11.383 1.00 0.00 C ATOM 567 CG GLU A 16 -3.544 -7.138 11.159 1.00 0.00 C ATOM 568 CD GLU A 16 -2.072 -7.430 10.951 1.00 0.00 C ATOM 569 OE1 GLU A 16 -1.455 -6.783 10.077 1.00 0.00 O1- ATOM 570 OE2 GLU A 16 -1.533 -8.304 11.662 1.00 0.00 O ATOM 0 H GLU A 16 -2.227 -3.749 11.011 1.00 0.00 H new ATOM 0 HA GLU A 16 -3.751 -5.491 9.238 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -3.090 -5.274 12.091 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -4.802 -5.557 11.843 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -3.906 -7.706 12.016 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -4.105 -7.481 10.290 1.00 0.00 H new ATOM 577 N VAL A 17 -5.906 -4.309 9.075 1.00 0.00 N ATOM 578 CA VAL A 17 -7.146 -3.569 8.878 1.00 0.00 C ATOM 579 C VAL A 17 -8.218 -4.455 8.255 1.00 0.00 C ATOM 580 O VAL A 17 -8.024 -5.018 7.178 1.00 0.00 O ATOM 581 CB VAL A 17 -6.933 -2.337 7.979 1.00 0.00 C ATOM 582 CG1 VAL A 17 -6.215 -1.236 8.742 1.00 0.00 C ATOM 583 CG2 VAL A 17 -6.162 -2.719 6.725 1.00 0.00 C ATOM 0 H VAL A 17 -5.784 -5.102 8.445 1.00 0.00 H new ATOM 0 HA VAL A 17 -7.474 -3.237 9.863 1.00 0.00 H new ATOM 0 HB VAL A 17 -7.909 -1.958 7.676 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -6.074 -0.374 8.090 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -6.812 -0.943 9.606 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -5.244 -1.600 9.078 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -6.021 -1.836 6.102 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -5.190 -3.125 7.005 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -6.722 -3.470 6.168 1.00 0.00 H new ATOM 593 N GLU A 18 -9.352 -4.576 8.938 1.00 0.00 N ATOM 594 CA GLU A 18 -10.456 -5.393 8.449 1.00 0.00 C ATOM 595 C GLU A 18 -10.904 -4.928 7.065 1.00 0.00 C ATOM 596 O GLU A 18 -10.870 -3.735 6.763 1.00 0.00 O ATOM 597 CB GLU A 18 -11.632 -5.339 9.425 1.00 0.00 C ATOM 598 CG GLU A 18 -11.503 -6.307 10.588 1.00 0.00 C ATOM 599 CD GLU A 18 -12.823 -6.956 10.956 1.00 0.00 C ATOM 600 OE1 GLU A 18 -13.405 -7.646 10.093 1.00 0.00 O1- ATOM 601 OE2 GLU A 18 -13.274 -6.774 12.106 1.00 0.00 O ATOM 0 H GLU A 18 -9.530 -4.118 9.832 1.00 0.00 H new ATOM 0 HA GLU A 18 -10.107 -6.423 8.372 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -11.723 -4.325 9.815 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -12.553 -5.556 8.883 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -10.780 -7.082 10.332 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -11.109 -5.777 11.455 1.00 0.00 H new ATOM 608 N PRO A 19 -11.332 -5.865 6.201 1.00 0.00 N ATOM 609 CA PRO A 19 -11.786 -5.538 4.847 1.00 0.00 C ATOM 610 C PRO A 19 -12.845 -4.441 4.842 1.00 0.00 C ATOM 611 O PRO A 19 -12.973 -3.691 3.876 1.00 0.00 O ATOM 612 CB PRO A 19 -12.376 -6.855 4.340 1.00 0.00 C ATOM 613 CG PRO A 19 -11.675 -7.910 5.123 1.00 0.00 C ATOM 614 CD PRO A 19 -11.406 -7.312 6.476 1.00 0.00 C ATOM 0 HA PRO A 19 -10.976 -5.154 4.227 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -13.454 -6.894 4.500 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -12.208 -6.978 3.270 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -12.290 -8.806 5.208 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -10.746 -8.205 4.635 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -12.201 -7.546 7.184 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -10.477 -7.688 6.904 1.00 0.00 H new ATOM 622 N SER A 20 -13.604 -4.353 5.931 1.00 0.00 N ATOM 623 CA SER A 20 -14.653 -3.349 6.053 1.00 0.00 C ATOM 624 C SER A 20 -14.201 -2.196 6.946 1.00 0.00 C ATOM 625 O SER A 20 -15.015 -1.563 7.618 1.00 0.00 O ATOM 626 CB SER A 20 -15.927 -3.977 6.618 1.00 0.00 C ATOM 627 OG SER A 20 -16.596 -4.745 5.633 1.00 0.00 O ATOM 0 H SER A 20 -13.511 -4.966 6.741 1.00 0.00 H new ATOM 0 HA SER A 20 -14.861 -2.955 5.058 1.00 0.00 H new ATOM 0 HB2 SER A 20 -15.678 -4.610 7.470 1.00 0.00 H new ATOM 0 HB3 SER A 20 -16.590 -3.194 6.986 1.00 0.00 H new ATOM 0 HG SER A 20 -17.407 -5.138 6.019 1.00 0.00 H new ATOM 633 N ASP A 21 -12.898 -1.931 6.949 1.00 0.00 N ATOM 634 CA ASP A 21 -12.340 -0.856 7.760 1.00 0.00 C ATOM 635 C ASP A 21 -12.072 0.382 6.911 1.00 0.00 C ATOM 636 O ASP A 21 -11.276 0.341 5.972 1.00 0.00 O ATOM 637 CB ASP A 21 -11.046 -1.313 8.434 1.00 0.00 C ATOM 638 CG ASP A 21 -10.870 -0.715 9.816 1.00 0.00 C ATOM 639 OD1 ASP A 21 -11.887 -0.328 10.429 1.00 0.00 O1- ATOM 640 OD2 ASP A 21 -9.715 -0.631 10.284 1.00 0.00 O ATOM 0 H ASP A 21 -12.210 -2.446 6.399 1.00 0.00 H new ATOM 0 HA ASP A 21 -13.070 -0.600 8.528 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -11.043 -2.400 8.509 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -10.197 -1.034 7.810 1.00 0.00 H new ATOM 645 N THR A 22 -12.738 1.481 7.246 1.00 0.00 N ATOM 646 CA THR A 22 -12.569 2.731 6.513 1.00 0.00 C ATOM 647 C THR A 22 -11.117 3.193 6.561 1.00 0.00 C ATOM 648 O THR A 22 -10.346 2.764 7.419 1.00 0.00 O ATOM 649 CB THR A 22 -13.482 3.813 7.091 1.00 0.00 C ATOM 650 OG1 THR A 22 -13.600 3.673 8.496 1.00 0.00 O ATOM 651 CG2 THR A 22 -14.879 3.789 6.509 1.00 0.00 C ATOM 0 H THR A 22 -13.400 1.532 8.020 1.00 0.00 H new ATOM 0 HA THR A 22 -12.842 2.556 5.473 1.00 0.00 H new ATOM 0 HB THR A 22 -13.011 4.760 6.827 1.00 0.00 H new ATOM 0 HG1 THR A 22 -14.187 4.375 8.847 1.00 0.00 H new ATOM 0 HG21 THR A 22 -15.475 4.581 6.961 1.00 0.00 H new ATOM 0 HG22 THR A 22 -14.827 3.944 5.431 1.00 0.00 H new ATOM 0 HG23 THR A 22 -15.342 2.824 6.715 1.00 0.00 H new ATOM 659 N ILE A 23 -10.748 4.071 5.633 1.00 0.00 N ATOM 660 CA ILE A 23 -9.387 4.589 5.572 1.00 0.00 C ATOM 661 C ILE A 23 -8.994 5.261 6.883 1.00 0.00 C ATOM 662 O ILE A 23 -7.849 5.161 7.323 1.00 0.00 O ATOM 663 CB ILE A 23 -9.218 5.596 4.416 1.00 0.00 C ATOM 664 CG1 ILE A 23 -9.654 4.963 3.093 1.00 0.00 C ATOM 665 CG2 ILE A 23 -7.775 6.069 4.329 1.00 0.00 C ATOM 666 CD1 ILE A 23 -8.915 3.684 2.766 1.00 0.00 C ATOM 0 H ILE A 23 -11.372 4.438 4.914 1.00 0.00 H new ATOM 0 HA ILE A 23 -8.732 3.736 5.396 1.00 0.00 H new ATOM 0 HB ILE A 23 -9.852 6.460 4.613 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -10.723 4.756 3.133 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -9.498 5.680 2.287 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -7.674 6.779 3.508 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -7.494 6.553 5.264 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -7.122 5.214 4.152 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -9.274 3.289 1.815 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -7.847 3.889 2.694 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -9.091 2.951 3.553 1.00 0.00 H new ATOM 678 N GLU A 24 -9.949 5.945 7.504 1.00 0.00 N ATOM 679 CA GLU A 24 -9.696 6.631 8.765 1.00 0.00 C ATOM 680 C GLU A 24 -9.241 5.646 9.838 1.00 0.00 C ATOM 681 O GLU A 24 -8.323 5.933 10.606 1.00 0.00 O ATOM 682 CB GLU A 24 -10.952 7.369 9.232 1.00 0.00 C ATOM 683 CG GLU A 24 -10.660 8.694 9.917 1.00 0.00 C ATOM 684 CD GLU A 24 -9.989 8.518 11.264 1.00 0.00 C ATOM 685 OE1 GLU A 24 -8.762 8.290 11.291 1.00 0.00 O ATOM 686 OE2 GLU A 24 -10.691 8.608 12.293 1.00 0.00 O1- ATOM 0 H GLU A 24 -10.903 6.039 7.155 1.00 0.00 H new ATOM 0 HA GLU A 24 -8.899 7.356 8.601 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -11.598 7.548 8.373 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -11.505 6.729 9.919 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -10.021 9.299 9.273 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -11.592 9.244 10.048 1.00 0.00 H new ATOM 693 N ASN A 25 -9.882 4.481 9.880 1.00 0.00 N ATOM 694 CA ASN A 25 -9.535 3.451 10.855 1.00 0.00 C ATOM 695 C ASN A 25 -8.139 2.906 10.575 1.00 0.00 C ATOM 696 O ASN A 25 -7.412 2.510 11.489 1.00 0.00 O ATOM 697 CB ASN A 25 -10.559 2.314 10.818 1.00 0.00 C ATOM 698 CG ASN A 25 -10.430 1.382 12.007 1.00 0.00 C ATOM 699 OD1 ASN A 25 -9.328 0.975 12.375 1.00 0.00 O ATOM 700 ND2 ASN A 25 -11.560 1.039 12.614 1.00 0.00 N ATOM 0 H ASN A 25 -10.644 4.227 9.251 1.00 0.00 H new ATOM 0 HA ASN A 25 -9.545 3.899 11.849 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -11.564 2.735 10.797 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -10.432 1.744 9.898 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -11.537 0.414 13.420 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -12.451 1.401 12.275 1.00 0.00 H new ATOM 707 N VAL A 26 -7.769 2.904 9.303 1.00 0.00 N ATOM 708 CA VAL A 26 -6.459 2.428 8.884 1.00 0.00 C ATOM 709 C VAL A 26 -5.407 3.465 9.227 1.00 0.00 C ATOM 710 O VAL A 26 -4.472 3.189 9.976 1.00 0.00 O ATOM 711 CB VAL A 26 -6.439 2.129 7.378 1.00 0.00 C ATOM 712 CG1 VAL A 26 -5.257 1.240 7.016 1.00 0.00 C ATOM 713 CG2 VAL A 26 -7.754 1.482 6.970 1.00 0.00 C ATOM 0 H VAL A 26 -8.362 3.229 8.539 1.00 0.00 H new ATOM 0 HA VAL A 26 -6.239 1.501 9.414 1.00 0.00 H new ATOM 0 HB VAL A 26 -6.323 3.065 6.832 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -5.265 1.043 5.944 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -4.328 1.742 7.286 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -5.331 0.298 7.559 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -7.739 1.270 5.901 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -7.889 0.552 7.522 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -8.578 2.160 7.194 1.00 0.00 H new ATOM 723 N LYS A 27 -5.598 4.682 8.723 1.00 0.00 N ATOM 724 CA LYS A 27 -4.687 5.771 9.039 1.00 0.00 C ATOM 725 C LYS A 27 -4.639 5.929 10.552 1.00 0.00 C ATOM 726 O LYS A 27 -3.651 6.394 11.119 1.00 0.00 O ATOM 727 CB LYS A 27 -5.150 7.072 8.383 1.00 0.00 C ATOM 728 CG LYS A 27 -5.264 6.978 6.873 1.00 0.00 C ATOM 729 CD LYS A 27 -3.930 6.625 6.238 1.00 0.00 C ATOM 730 CE LYS A 27 -4.075 5.504 5.222 1.00 0.00 C ATOM 731 NZ LYS A 27 -4.055 4.160 5.865 1.00 0.00 N1+ ATOM 0 H LYS A 27 -6.367 4.934 8.102 1.00 0.00 H new ATOM 0 HA LYS A 27 -3.693 5.543 8.654 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -6.118 7.354 8.796 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -4.450 7.868 8.638 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -6.005 6.224 6.609 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -5.619 7.928 6.473 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -3.513 7.507 5.751 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -3.225 6.326 7.013 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -5.009 5.630 4.675 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -3.267 5.569 4.493 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -3.179 3.664 5.605 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -4.098 4.269 6.898 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -4.874 3.608 5.541 1.00 0.00 H new ATOM 745 N ALA A 28 -5.724 5.498 11.190 1.00 0.00 N ATOM 746 CA ALA A 28 -5.847 5.532 12.632 1.00 0.00 C ATOM 747 C ALA A 28 -4.781 4.646 13.259 1.00 0.00 C ATOM 748 O ALA A 28 -3.944 5.108 14.035 1.00 0.00 O ATOM 749 CB ALA A 28 -7.236 5.056 13.027 1.00 0.00 C ATOM 0 H ALA A 28 -6.541 5.116 10.714 1.00 0.00 H new ATOM 0 HA ALA A 28 -5.705 6.551 12.992 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -7.334 5.080 14.112 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -7.985 5.710 12.581 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -7.386 4.037 12.671 1.00 0.00 H new ATOM 755 N LYS A 29 -4.808 3.367 12.894 1.00 0.00 N ATOM 756 CA LYS A 29 -3.832 2.410 13.397 1.00 0.00 C ATOM 757 C LYS A 29 -2.427 2.834 12.987 1.00 0.00 C ATOM 758 O LYS A 29 -1.492 2.782 13.785 1.00 0.00 O ATOM 759 CB LYS A 29 -4.136 1.010 12.863 1.00 0.00 C ATOM 760 CG LYS A 29 -5.457 0.443 13.356 1.00 0.00 C ATOM 761 CD LYS A 29 -5.718 -0.941 12.784 1.00 0.00 C ATOM 762 CE LYS A 29 -7.187 -1.138 12.451 1.00 0.00 C ATOM 763 NZ LYS A 29 -8.028 -1.227 13.678 1.00 0.00 N1+ ATOM 0 H LYS A 29 -5.495 2.971 12.252 1.00 0.00 H new ATOM 0 HA LYS A 29 -3.892 2.388 14.485 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -4.148 1.041 11.773 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -3.330 0.336 13.154 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -5.448 0.392 14.445 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -6.269 1.113 13.075 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -5.118 -1.083 11.885 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -5.402 -1.698 13.502 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -7.533 -0.310 11.833 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -7.307 -2.047 11.862 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -8.460 -2.171 13.735 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -7.435 -1.067 14.517 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -8.776 -0.505 13.639 1.00 0.00 H new ATOM 777 N ILE A 30 -2.291 3.273 11.737 1.00 0.00 N ATOM 778 CA ILE A 30 -1.005 3.726 11.224 1.00 0.00 C ATOM 779 C ILE A 30 -0.522 4.940 12.011 1.00 0.00 C ATOM 780 O ILE A 30 0.680 5.164 12.156 1.00 0.00 O ATOM 781 CB ILE A 30 -1.087 4.089 9.723 1.00 0.00 C ATOM 782 CG1 ILE A 30 -1.511 2.867 8.906 1.00 0.00 C ATOM 783 CG2 ILE A 30 0.252 4.622 9.226 1.00 0.00 C ATOM 784 CD1 ILE A 30 -1.628 3.143 7.424 1.00 0.00 C ATOM 0 H ILE A 30 -3.056 3.324 11.064 1.00 0.00 H new ATOM 0 HA ILE A 30 -0.298 2.904 11.341 1.00 0.00 H new ATOM 0 HB ILE A 30 -1.835 4.871 9.597 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -0.788 2.067 9.062 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -2.470 2.507 9.277 1.00 0.00 H new ATOM 0 HG21 ILE A 30 0.174 4.872 8.168 1.00 0.00 H new ATOM 0 HG22 ILE A 30 0.521 5.515 9.791 1.00 0.00 H new ATOM 0 HG23 ILE A 30 1.020 3.861 9.364 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -1.932 2.233 6.907 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -2.373 3.921 7.257 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -0.664 3.474 7.038 1.00 0.00 H new ATOM 796 N GLN A 31 -1.472 5.716 12.522 1.00 0.00 N ATOM 797 CA GLN A 31 -1.156 6.905 13.301 1.00 0.00 C ATOM 798 C GLN A 31 -0.624 6.516 14.676 1.00 0.00 C ATOM 799 O GLN A 31 0.315 7.127 15.185 1.00 0.00 O ATOM 800 CB GLN A 31 -2.401 7.787 13.446 1.00 0.00 C ATOM 801 CG GLN A 31 -2.180 9.017 14.314 1.00 0.00 C ATOM 802 CD GLN A 31 -2.676 8.825 15.733 1.00 0.00 C ATOM 803 OE1 GLN A 31 -2.564 7.738 16.301 1.00 0.00 O ATOM 804 NE2 GLN A 31 -3.228 9.884 16.316 1.00 0.00 N ATOM 0 H GLN A 31 -2.470 5.541 12.409 1.00 0.00 H new ATOM 0 HA GLN A 31 -0.384 7.468 12.777 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -2.727 8.105 12.456 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -3.209 7.193 13.872 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -1.117 9.257 14.334 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -2.691 9.870 13.867 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -3.301 10.766 15.808 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -3.579 9.815 17.271 1.00 0.00 H new ATOM 813 N ASP A 32 -1.231 5.495 15.269 1.00 0.00 N ATOM 814 CA ASP A 32 -0.817 5.021 16.585 1.00 0.00 C ATOM 815 C ASP A 32 0.392 4.091 16.486 1.00 0.00 C ATOM 816 O ASP A 32 1.040 3.795 17.490 1.00 0.00 O ATOM 817 CB ASP A 32 -1.974 4.296 17.275 1.00 0.00 C ATOM 818 CG ASP A 32 -1.695 4.024 18.740 1.00 0.00 C ATOM 819 OD1 ASP A 32 -1.027 4.861 19.383 1.00 0.00 O1- ATOM 820 OD2 ASP A 32 -2.144 2.973 19.245 1.00 0.00 O ATOM 0 H ASP A 32 -2.011 4.980 14.861 1.00 0.00 H new ATOM 0 HA ASP A 32 -0.531 5.890 17.177 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -2.880 4.896 17.186 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -2.165 3.353 16.763 1.00 0.00 H new ATOM 825 N LYS A 33 0.691 3.628 15.273 1.00 0.00 N ATOM 826 CA LYS A 33 1.820 2.731 15.056 1.00 0.00 C ATOM 827 C LYS A 33 3.048 3.493 14.566 1.00 0.00 C ATOM 828 O LYS A 33 4.171 3.217 14.989 1.00 0.00 O ATOM 829 CB LYS A 33 1.446 1.643 14.045 1.00 0.00 C ATOM 830 CG LYS A 33 1.139 0.298 14.686 1.00 0.00 C ATOM 831 CD LYS A 33 1.685 -0.851 13.858 1.00 0.00 C ATOM 832 CE LYS A 33 2.990 -1.382 14.432 1.00 0.00 C ATOM 833 NZ LYS A 33 4.056 -0.344 14.439 1.00 0.00 N1+ ATOM 0 H LYS A 33 0.167 3.860 14.429 1.00 0.00 H new ATOM 0 HA LYS A 33 2.065 2.267 16.011 1.00 0.00 H new ATOM 0 HB2 LYS A 33 0.577 1.971 13.475 1.00 0.00 H new ATOM 0 HB3 LYS A 33 2.265 1.520 13.336 1.00 0.00 H new ATOM 0 HG2 LYS A 33 1.570 0.264 15.686 1.00 0.00 H new ATOM 0 HG3 LYS A 33 0.061 0.186 14.800 1.00 0.00 H new ATOM 0 HD2 LYS A 33 0.950 -1.655 13.820 1.00 0.00 H new ATOM 0 HD3 LYS A 33 1.846 -0.517 12.833 1.00 0.00 H new ATOM 0 HE2 LYS A 33 2.822 -1.736 15.449 1.00 0.00 H new ATOM 0 HE3 LYS A 33 3.322 -2.239 13.846 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 4.951 -0.767 14.758 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 4.176 0.037 13.479 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 3.787 0.425 15.086 1.00 0.00 H new ATOM 847 N GLU A 34 2.831 4.449 13.668 1.00 0.00 N ATOM 848 CA GLU A 34 3.925 5.240 13.117 1.00 0.00 C ATOM 849 C GLU A 34 3.972 6.633 13.739 1.00 0.00 C ATOM 850 O GLU A 34 5.040 7.237 13.849 1.00 0.00 O ATOM 851 CB GLU A 34 3.783 5.355 11.598 1.00 0.00 C ATOM 852 CG GLU A 34 4.014 4.043 10.865 1.00 0.00 C ATOM 853 CD GLU A 34 5.444 3.886 10.389 1.00 0.00 C ATOM 854 OE1 GLU A 34 6.365 3.998 11.225 1.00 0.00 O1- ATOM 855 OE2 GLU A 34 5.645 3.650 9.178 1.00 0.00 O ATOM 0 H GLU A 34 1.909 4.694 13.307 1.00 0.00 H new ATOM 0 HA GLU A 34 4.858 4.729 13.355 1.00 0.00 H new ATOM 0 HB2 GLU A 34 2.785 5.723 11.361 1.00 0.00 H new ATOM 0 HB3 GLU A 34 4.492 6.097 11.230 1.00 0.00 H new ATOM 0 HG2 GLU A 34 3.761 3.213 11.525 1.00 0.00 H new ATOM 0 HG3 GLU A 34 3.342 3.986 10.009 1.00 0.00 H new ATOM 862 N GLY A 35 2.812 7.141 14.139 1.00 0.00 N ATOM 863 CA GLY A 35 2.751 8.462 14.739 1.00 0.00 C ATOM 864 C GLY A 35 2.396 9.537 13.730 1.00 0.00 C ATOM 865 O GLY A 35 2.755 10.702 13.901 1.00 0.00 O ATOM 0 H GLY A 35 1.914 6.664 14.059 1.00 0.00 H new ATOM 0 HA2 GLY A 35 2.012 8.461 15.540 1.00 0.00 H new ATOM 0 HA3 GLY A 35 3.714 8.697 15.193 1.00 0.00 H new ATOM 869 N ILE A 36 1.693 9.143 12.673 1.00 0.00 N ATOM 870 CA ILE A 36 1.292 10.078 11.629 1.00 0.00 C ATOM 871 C ILE A 36 -0.230 10.174 11.531 1.00 0.00 C ATOM 872 O ILE A 36 -0.916 9.159 11.412 1.00 0.00 O ATOM 873 CB ILE A 36 1.854 9.656 10.258 1.00 0.00 C ATOM 874 CG1 ILE A 36 3.353 9.370 10.363 1.00 0.00 C ATOM 875 CG2 ILE A 36 1.587 10.734 9.218 1.00 0.00 C ATOM 876 CD1 ILE A 36 3.970 8.902 9.066 1.00 0.00 C ATOM 0 H ILE A 36 1.389 8.182 12.517 1.00 0.00 H new ATOM 0 HA ILE A 36 1.699 11.052 11.901 1.00 0.00 H new ATOM 0 HB ILE A 36 1.349 8.743 9.942 1.00 0.00 H new ATOM 0 HG12 ILE A 36 3.865 10.274 10.694 1.00 0.00 H new ATOM 0 HG13 ILE A 36 3.517 8.612 11.129 1.00 0.00 H new ATOM 0 HG21 ILE A 36 1.991 10.419 8.256 1.00 0.00 H new ATOM 0 HG22 ILE A 36 0.513 10.893 9.126 1.00 0.00 H new ATOM 0 HG23 ILE A 36 2.066 11.663 9.526 1.00 0.00 H new ATOM 0 HD11 ILE A 36 5.034 8.718 9.215 1.00 0.00 H new ATOM 0 HD12 ILE A 36 3.484 7.981 8.744 1.00 0.00 H new ATOM 0 HD13 ILE A 36 3.837 9.669 8.303 1.00 0.00 H new ATOM 888 N PRO A 37 -0.785 11.400 11.579 1.00 0.00 N ATOM 889 CA PRO A 37 -2.233 11.611 11.494 1.00 0.00 C ATOM 890 C PRO A 37 -2.761 11.424 10.072 1.00 0.00 C ATOM 891 O PRO A 37 -2.077 11.749 9.102 1.00 0.00 O ATOM 892 CB PRO A 37 -2.402 13.062 11.941 1.00 0.00 C ATOM 893 CG PRO A 37 -1.120 13.722 11.569 1.00 0.00 C ATOM 894 CD PRO A 37 -0.050 12.673 11.720 1.00 0.00 C ATOM 0 HA PRO A 37 -2.789 10.896 12.100 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -3.249 13.534 11.444 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -2.585 13.128 13.014 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -1.157 14.096 10.546 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -0.921 14.578 12.214 1.00 0.00 H new ATOM 0 HD2 PRO A 37 0.722 12.776 10.958 1.00 0.00 H new ATOM 0 HD3 PRO A 37 0.446 12.744 12.688 1.00 0.00 H new ATOM 902 N PRO A 38 -3.989 10.894 9.926 1.00 0.00 N ATOM 903 CA PRO A 38 -4.600 10.667 8.612 1.00 0.00 C ATOM 904 C PRO A 38 -4.704 11.948 7.789 1.00 0.00 C ATOM 905 O PRO A 38 -4.715 11.908 6.559 1.00 0.00 O ATOM 906 CB PRO A 38 -5.998 10.136 8.945 1.00 0.00 C ATOM 907 CG PRO A 38 -5.894 9.612 10.335 1.00 0.00 C ATOM 908 CD PRO A 38 -4.877 10.475 11.026 1.00 0.00 C ATOM 0 HA PRO A 38 -4.005 9.984 8.006 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -6.746 10.926 8.877 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -6.298 9.352 8.250 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -6.857 9.660 10.843 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -5.585 8.567 10.336 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -5.341 11.330 11.517 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -4.335 9.923 11.793 1.00 0.00 H new ATOM 916 N ASP A 39 -4.787 13.082 8.477 1.00 0.00 N ATOM 917 CA ASP A 39 -4.897 14.374 7.810 1.00 0.00 C ATOM 918 C ASP A 39 -3.590 14.756 7.123 1.00 0.00 C ATOM 919 O ASP A 39 -3.590 15.473 6.123 1.00 0.00 O ATOM 920 CB ASP A 39 -5.292 15.458 8.816 1.00 0.00 C ATOM 921 CG ASP A 39 -5.736 16.740 8.141 1.00 0.00 C ATOM 922 OD1 ASP A 39 -6.737 16.704 7.396 1.00 0.00 O1- ATOM 923 OD2 ASP A 39 -5.081 17.782 8.357 1.00 0.00 O ATOM 0 H ASP A 39 -4.780 13.132 9.496 1.00 0.00 H new ATOM 0 HA ASP A 39 -5.671 14.291 7.047 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -6.098 15.086 9.449 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -4.445 15.669 9.469 1.00 0.00 H new ATOM 928 N GLN A 40 -2.475 14.277 7.666 1.00 0.00 N ATOM 929 CA GLN A 40 -1.163 14.576 7.104 1.00 0.00 C ATOM 930 C GLN A 40 -0.801 13.590 5.997 1.00 0.00 C ATOM 931 O GLN A 40 -0.353 13.986 4.923 1.00 0.00 O ATOM 932 CB GLN A 40 -0.096 14.543 8.199 1.00 0.00 C ATOM 933 CG GLN A 40 -0.096 15.777 9.086 1.00 0.00 C ATOM 934 CD GLN A 40 0.240 17.044 8.324 1.00 0.00 C ATOM 935 OE1 GLN A 40 1.396 17.468 8.280 1.00 0.00 O ATOM 936 NE2 GLN A 40 -0.770 17.656 7.718 1.00 0.00 N ATOM 0 H GLN A 40 -2.454 13.681 8.493 1.00 0.00 H new ATOM 0 HA GLN A 40 -1.203 15.576 6.673 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -0.251 13.660 8.819 1.00 0.00 H new ATOM 0 HB3 GLN A 40 0.885 14.439 7.736 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -1.076 15.886 9.550 1.00 0.00 H new ATOM 0 HG3 GLN A 40 0.625 15.640 9.892 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -1.712 17.270 7.781 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -0.604 18.513 7.190 1.00 0.00 H new ATOM 945 N GLN A 41 -0.993 12.303 6.270 1.00 0.00 N ATOM 946 CA GLN A 41 -0.682 11.262 5.297 1.00 0.00 C ATOM 947 C GLN A 41 -1.940 10.786 4.579 1.00 0.00 C ATOM 948 O GLN A 41 -2.991 10.610 5.196 1.00 0.00 O ATOM 949 CB GLN A 41 0.003 10.081 5.987 1.00 0.00 C ATOM 950 CG GLN A 41 -0.887 9.361 6.986 1.00 0.00 C ATOM 951 CD GLN A 41 -0.103 8.472 7.932 1.00 0.00 C ATOM 952 OE1 GLN A 41 1.044 8.119 7.663 1.00 0.00 O ATOM 953 NE2 GLN A 41 -0.722 8.106 9.048 1.00 0.00 N ATOM 0 H GLN A 41 -1.362 11.957 7.156 1.00 0.00 H new ATOM 0 HA GLN A 41 -0.005 11.686 4.555 1.00 0.00 H new ATOM 0 HB2 GLN A 41 0.334 9.370 5.230 1.00 0.00 H new ATOM 0 HB3 GLN A 41 0.896 10.439 6.500 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -1.446 10.096 7.564 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -1.617 8.757 6.447 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -1.674 8.423 9.230 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -0.245 7.508 9.723 1.00 0.00 H new ATOM 962 N ARG A 42 -1.824 10.576 3.272 1.00 0.00 N ATOM 963 CA ARG A 42 -2.949 10.114 2.466 1.00 0.00 C ATOM 964 C ARG A 42 -2.681 8.719 1.912 1.00 0.00 C ATOM 965 O ARG A 42 -1.533 8.279 1.847 1.00 0.00 O ATOM 966 CB ARG A 42 -3.219 11.089 1.318 1.00 0.00 C ATOM 967 CG ARG A 42 -3.662 12.468 1.781 1.00 0.00 C ATOM 968 CD ARG A 42 -2.519 13.231 2.431 1.00 0.00 C ATOM 969 NE ARG A 42 -2.693 14.677 2.317 1.00 0.00 N ATOM 970 CZ ARG A 42 -3.624 15.366 2.974 1.00 0.00 C ATOM 971 NH1 ARG A 42 -4.465 14.745 3.792 1.00 0.00 N1+ ATOM 972 NH2 ARG A 42 -3.715 16.679 2.813 1.00 0.00 N ATOM 0 H ARG A 42 -0.961 10.719 2.747 1.00 0.00 H new ATOM 0 HA ARG A 42 -3.829 10.070 3.107 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -2.315 11.190 0.718 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -3.987 10.669 0.669 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -4.042 13.034 0.930 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -4.484 12.368 2.490 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -2.451 12.956 3.483 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -1.578 12.941 1.964 1.00 0.00 H new ATOM 0 HE ARG A 42 -2.064 15.189 1.698 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -4.400 13.735 3.920 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -5.176 15.278 4.293 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -3.072 17.162 2.186 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -4.428 17.206 3.316 1.00 0.00 H new ATOM 986 N LEU A 43 -3.743 8.029 1.515 1.00 0.00 N ATOM 987 CA LEU A 43 -3.617 6.682 0.967 1.00 0.00 C ATOM 988 C LEU A 43 -4.191 6.611 -0.444 1.00 0.00 C ATOM 989 O LEU A 43 -5.149 7.312 -0.771 1.00 0.00 O ATOM 990 CB LEU A 43 -4.323 5.672 1.873 1.00 0.00 C ATOM 991 CG LEU A 43 -3.607 4.336 2.037 1.00 0.00 C ATOM 992 CD1 LEU A 43 -2.190 4.569 2.507 1.00 0.00 C ATOM 993 CD2 LEU A 43 -4.362 3.438 3.008 1.00 0.00 C ATOM 0 H LEU A 43 -4.700 8.378 1.562 1.00 0.00 H new ATOM 0 HA LEU A 43 -2.557 6.434 0.918 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -4.452 6.120 2.858 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -5.320 5.485 1.474 1.00 0.00 H new ATOM 0 HG LEU A 43 -3.575 3.830 1.072 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -1.683 3.611 2.623 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -1.658 5.175 1.773 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -2.205 5.089 3.465 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -3.835 2.490 3.111 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -4.425 3.926 3.981 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -5.367 3.255 2.628 1.00 0.00 H new ATOM 1005 N ILE A 44 -3.601 5.759 -1.275 1.00 0.00 N ATOM 1006 CA ILE A 44 -4.052 5.594 -2.650 1.00 0.00 C ATOM 1007 C ILE A 44 -3.786 4.178 -3.148 1.00 0.00 C ATOM 1008 O ILE A 44 -2.785 3.559 -2.784 1.00 0.00 O ATOM 1009 CB ILE A 44 -3.361 6.598 -3.595 1.00 0.00 C ATOM 1010 CG1 ILE A 44 -3.369 8.000 -2.982 1.00 0.00 C ATOM 1011 CG2 ILE A 44 -4.044 6.603 -4.954 1.00 0.00 C ATOM 1012 CD1 ILE A 44 -2.696 9.043 -3.847 1.00 0.00 C ATOM 0 H ILE A 44 -2.808 5.171 -1.019 1.00 0.00 H new ATOM 0 HA ILE A 44 -5.125 5.784 -2.655 1.00 0.00 H new ATOM 0 HB ILE A 44 -2.325 6.290 -3.733 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -4.400 8.302 -2.800 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -2.870 7.967 -2.013 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -3.545 7.317 -5.609 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -3.988 5.607 -5.393 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -5.089 6.889 -4.835 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -2.740 10.012 -3.349 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -1.655 8.765 -4.009 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -3.208 9.105 -4.807 1.00 0.00 H new ATOM 1024 N PHE A 45 -4.687 3.668 -3.982 1.00 0.00 N ATOM 1025 CA PHE A 45 -4.548 2.323 -4.527 1.00 0.00 C ATOM 1026 C PHE A 45 -5.410 2.147 -5.773 1.00 0.00 C ATOM 1027 O PHE A 45 -6.544 2.623 -5.827 1.00 0.00 O ATOM 1028 CB PHE A 45 -4.933 1.281 -3.474 1.00 0.00 C ATOM 1029 CG PHE A 45 -4.398 -0.092 -3.764 1.00 0.00 C ATOM 1030 CD1 PHE A 45 -3.040 -0.296 -3.952 1.00 0.00 C ATOM 1031 CD2 PHE A 45 -5.253 -1.180 -3.850 1.00 0.00 C ATOM 1032 CE1 PHE A 45 -2.545 -1.558 -4.218 1.00 0.00 C ATOM 1033 CE2 PHE A 45 -4.763 -2.444 -4.115 1.00 0.00 C ATOM 1034 CZ PHE A 45 -3.407 -2.634 -4.300 1.00 0.00 C ATOM 0 H PHE A 45 -5.521 4.166 -4.295 1.00 0.00 H new ATOM 0 HA PHE A 45 -3.505 2.178 -4.807 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -4.566 1.607 -2.501 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -6.020 1.231 -3.404 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -2.361 0.541 -3.890 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -6.314 -1.038 -3.708 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -1.484 -1.703 -4.362 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -5.440 -3.283 -4.178 1.00 0.00 H new ATOM 0 HZ PHE A 45 -3.022 -3.621 -4.508 1.00 0.00 H new ATOM 1044 N ALA A 46 -4.864 1.459 -6.771 1.00 0.00 N ATOM 1045 CA ALA A 46 -5.584 1.218 -8.017 1.00 0.00 C ATOM 1046 C ALA A 46 -6.015 2.529 -8.666 1.00 0.00 C ATOM 1047 O ALA A 46 -7.121 2.636 -9.198 1.00 0.00 O ATOM 1048 CB ALA A 46 -6.792 0.329 -7.765 1.00 0.00 C ATOM 0 H ALA A 46 -3.926 1.059 -6.741 1.00 0.00 H new ATOM 0 HA ALA A 46 -4.909 0.708 -8.704 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -7.320 0.158 -8.703 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -6.462 -0.625 -7.355 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -7.461 0.817 -7.056 1.00 0.00 H new ATOM 1054 N GLY A 47 -5.136 3.524 -8.618 1.00 0.00 N ATOM 1055 CA GLY A 47 -5.446 4.816 -9.205 1.00 0.00 C ATOM 1056 C GLY A 47 -6.665 5.461 -8.575 1.00 0.00 C ATOM 1057 O GLY A 47 -7.335 6.281 -9.203 1.00 0.00 O ATOM 0 H GLY A 47 -4.215 3.460 -8.184 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -4.588 5.479 -9.091 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -5.615 4.695 -10.275 1.00 0.00 H new ATOM 1061 N LYS A 48 -6.954 5.091 -7.331 1.00 0.00 N ATOM 1062 CA LYS A 48 -8.100 5.640 -6.616 1.00 0.00 C ATOM 1063 C LYS A 48 -7.676 6.212 -5.267 1.00 0.00 C ATOM 1064 O LYS A 48 -7.086 5.513 -4.444 1.00 0.00 O ATOM 1065 CB LYS A 48 -9.166 4.561 -6.414 1.00 0.00 C ATOM 1066 CG LYS A 48 -9.900 4.185 -7.691 1.00 0.00 C ATOM 1067 CD LYS A 48 -10.611 2.848 -7.552 1.00 0.00 C ATOM 1068 CE LYS A 48 -9.696 1.691 -7.917 1.00 0.00 C ATOM 1069 NZ LYS A 48 -9.824 1.313 -9.351 1.00 0.00 N1+ ATOM 0 H LYS A 48 -6.410 4.413 -6.798 1.00 0.00 H new ATOM 0 HA LYS A 48 -8.519 6.447 -7.217 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -8.695 3.670 -6.000 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -9.890 4.910 -5.678 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -10.626 4.960 -7.937 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -9.192 4.137 -8.518 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -10.962 2.726 -6.527 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -11.491 2.834 -8.195 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -8.662 1.965 -7.705 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -9.933 0.830 -7.292 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -9.984 0.288 -9.427 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -10.627 1.821 -9.774 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -8.950 1.565 -9.856 1.00 0.00 H new ATOM 1083 N GLN A 49 -7.979 7.487 -5.050 1.00 0.00 N ATOM 1084 CA GLN A 49 -7.628 8.154 -3.802 1.00 0.00 C ATOM 1085 C GLN A 49 -8.431 7.587 -2.634 1.00 0.00 C ATOM 1086 O GLN A 49 -9.635 7.819 -2.526 1.00 0.00 O ATOM 1087 CB GLN A 49 -7.870 9.660 -3.918 1.00 0.00 C ATOM 1088 CG GLN A 49 -6.682 10.427 -4.430 1.00 0.00 C ATOM 1089 CD GLN A 49 -7.018 11.323 -5.606 1.00 0.00 C ATOM 1090 OE1 GLN A 49 -7.027 10.881 -6.755 1.00 0.00 O ATOM 1091 NE2 GLN A 49 -7.296 12.590 -5.325 1.00 0.00 N ATOM 0 H GLN A 49 -8.467 8.079 -5.722 1.00 0.00 H new ATOM 0 HA GLN A 49 -6.570 7.976 -3.611 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -8.716 9.833 -4.583 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -8.149 10.050 -2.939 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -6.273 11.034 -3.623 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -5.903 9.725 -4.726 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -7.277 12.914 -4.358 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -7.529 13.240 -6.076 1.00 0.00 H new ATOM 1100 N LEU A 50 -7.754 6.845 -1.764 1.00 0.00 N ATOM 1101 CA LEU A 50 -8.403 6.247 -0.602 1.00 0.00 C ATOM 1102 C LEU A 50 -8.873 7.327 0.369 1.00 0.00 C ATOM 1103 O LEU A 50 -8.238 7.573 1.395 1.00 0.00 O ATOM 1104 CB LEU A 50 -7.442 5.288 0.105 1.00 0.00 C ATOM 1105 CG LEU A 50 -7.616 3.810 -0.254 1.00 0.00 C ATOM 1106 CD1 LEU A 50 -7.406 3.590 -1.744 1.00 0.00 C ATOM 1107 CD2 LEU A 50 -6.664 2.949 0.555 1.00 0.00 C ATOM 0 H LEU A 50 -6.757 6.643 -1.841 1.00 0.00 H new ATOM 0 HA LEU A 50 -9.274 5.688 -0.945 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -6.420 5.585 -0.130 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -7.568 5.401 1.182 1.00 0.00 H new ATOM 0 HG LEU A 50 -8.636 3.516 -0.008 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -7.534 2.533 -1.977 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -8.134 4.176 -2.305 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -6.399 3.903 -2.020 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -6.803 1.902 0.286 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -5.637 3.245 0.343 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -6.868 3.081 1.618 1.00 0.00 H new ATOM 1119 N GLU A 51 -9.989 7.969 0.038 1.00 0.00 N ATOM 1120 CA GLU A 51 -10.544 9.025 0.879 1.00 0.00 C ATOM 1121 C GLU A 51 -10.847 8.507 2.281 1.00 0.00 C ATOM 1122 O GLU A 51 -10.973 7.301 2.495 1.00 0.00 O ATOM 1123 CB GLU A 51 -11.818 9.591 0.247 1.00 0.00 C ATOM 1124 CG GLU A 51 -11.691 9.857 -1.245 1.00 0.00 C ATOM 1125 CD GLU A 51 -12.549 11.019 -1.705 1.00 0.00 C ATOM 1126 OE1 GLU A 51 -12.915 11.859 -0.855 1.00 0.00 O1- ATOM 1127 OE2 GLU A 51 -12.856 11.089 -2.913 1.00 0.00 O ATOM 0 H GLU A 51 -10.527 7.777 -0.807 1.00 0.00 H new ATOM 0 HA GLU A 51 -9.800 9.818 0.959 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -12.638 8.893 0.415 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -12.082 10.520 0.752 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -10.648 10.062 -1.486 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -11.975 8.960 -1.796 1.00 0.00 H new ATOM 1134 N ASP A 52 -10.963 9.427 3.234 1.00 0.00 N ATOM 1135 CA ASP A 52 -11.252 9.066 4.617 1.00 0.00 C ATOM 1136 C ASP A 52 -12.682 8.552 4.758 1.00 0.00 C ATOM 1137 O ASP A 52 -13.520 9.186 5.402 1.00 0.00 O ATOM 1138 CB ASP A 52 -11.033 10.269 5.536 1.00 0.00 C ATOM 1139 CG ASP A 52 -9.585 10.416 5.961 1.00 0.00 C ATOM 1140 OD1 ASP A 52 -8.705 9.853 5.277 1.00 0.00 O1- ATOM 1141 OD2 ASP A 52 -9.332 11.094 6.980 1.00 0.00 O ATOM 0 H ASP A 52 -10.861 10.429 3.073 1.00 0.00 H new ATOM 0 HA ASP A 52 -10.570 8.268 4.909 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -11.352 11.177 5.024 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -11.660 10.165 6.422 1.00 0.00 H new ATOM 1146 N GLY A 53 -12.953 7.402 4.153 1.00 0.00 N ATOM 1147 CA GLY A 53 -14.282 6.822 4.221 1.00 0.00 C ATOM 1148 C GLY A 53 -14.486 5.720 3.201 1.00 0.00 C ATOM 1149 O GLY A 53 -15.545 5.628 2.580 1.00 0.00 O ATOM 0 H GLY A 53 -12.276 6.860 3.616 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -14.450 6.423 5.221 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -15.025 7.603 4.061 1.00 0.00 H new ATOM 1153 N ARG A 54 -13.470 4.881 3.026 1.00 0.00 N ATOM 1154 CA ARG A 54 -13.542 3.780 2.074 1.00 0.00 C ATOM 1155 C ARG A 54 -13.044 2.483 2.703 1.00 0.00 C ATOM 1156 O ARG A 54 -12.034 2.472 3.407 1.00 0.00 O ATOM 1157 CB ARG A 54 -12.721 4.104 0.826 1.00 0.00 C ATOM 1158 CG ARG A 54 -13.253 5.288 0.036 1.00 0.00 C ATOM 1159 CD ARG A 54 -14.684 5.056 -0.419 1.00 0.00 C ATOM 1160 NE ARG A 54 -15.187 6.163 -1.230 1.00 0.00 N ATOM 1161 CZ ARG A 54 -16.478 6.382 -1.465 1.00 0.00 C ATOM 1162 NH1 ARG A 54 -17.400 5.574 -0.955 1.00 0.00 N1+ ATOM 1163 NH2 ARG A 54 -16.851 7.412 -2.213 1.00 0.00 N ATOM 0 H ARG A 54 -12.587 4.943 3.532 1.00 0.00 H new ATOM 0 HA ARG A 54 -14.586 3.646 1.789 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -11.692 4.309 1.122 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -12.698 3.227 0.179 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -13.207 6.187 0.650 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -12.618 5.462 -0.832 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -14.736 4.132 -0.995 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -15.325 4.925 0.453 1.00 0.00 H new ATOM 0 HE ARG A 54 -14.509 6.805 -1.640 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -17.120 4.780 -0.379 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -18.388 5.747 -1.139 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -16.148 8.036 -2.608 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -17.841 7.580 -2.393 1.00 0.00 H new ATOM 1177 N THR A 55 -13.759 1.394 2.446 1.00 0.00 N ATOM 1178 CA THR A 55 -13.390 0.092 2.988 1.00 0.00 C ATOM 1179 C THR A 55 -12.604 -0.725 1.966 1.00 0.00 C ATOM 1180 O THR A 55 -12.876 -0.665 0.767 1.00 0.00 O ATOM 1181 CB THR A 55 -14.640 -0.677 3.418 1.00 0.00 C ATOM 1182 OG1 THR A 55 -15.691 -0.486 2.489 1.00 0.00 O ATOM 1183 CG2 THR A 55 -15.153 -0.269 4.783 1.00 0.00 C ATOM 0 H THR A 55 -14.598 1.387 1.866 1.00 0.00 H new ATOM 0 HA THR A 55 -12.754 0.258 3.858 1.00 0.00 H new ATOM 0 HB THR A 55 -14.336 -1.723 3.459 1.00 0.00 H new ATOM 0 HG1 THR A 55 -16.481 -0.987 2.781 1.00 0.00 H new ATOM 0 HG21 THR A 55 -16.041 -0.852 5.027 1.00 0.00 H new ATOM 0 HG22 THR A 55 -14.382 -0.452 5.531 1.00 0.00 H new ATOM 0 HG23 THR A 55 -15.406 0.791 4.775 1.00 0.00 H new ATOM 1191 N LEU A 56 -11.628 -1.486 2.451 1.00 0.00 N ATOM 1192 CA LEU A 56 -10.799 -2.318 1.585 1.00 0.00 C ATOM 1193 C LEU A 56 -11.657 -3.258 0.744 1.00 0.00 C ATOM 1194 O LEU A 56 -11.292 -3.611 -0.378 1.00 0.00 O ATOM 1195 CB LEU A 56 -9.806 -3.123 2.423 1.00 0.00 C ATOM 1196 CG LEU A 56 -8.695 -2.294 3.073 1.00 0.00 C ATOM 1197 CD1 LEU A 56 -9.116 -1.818 4.446 1.00 0.00 C ATOM 1198 CD2 LEU A 56 -7.410 -3.093 3.192 1.00 0.00 C ATOM 0 H LEU A 56 -11.391 -1.544 3.441 1.00 0.00 H new ATOM 0 HA LEU A 56 -10.249 -1.663 0.910 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -10.354 -3.648 3.206 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -9.349 -3.883 1.789 1.00 0.00 H new ATOM 0 HG LEU A 56 -8.515 -1.432 2.431 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -8.312 -1.231 4.890 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -10.010 -1.201 4.359 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -9.329 -2.679 5.080 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -6.640 -2.477 3.657 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -7.587 -3.977 3.805 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -7.079 -3.399 2.200 1.00 0.00 H new ATOM 1210 N SER A 57 -12.800 -3.659 1.292 1.00 0.00 N ATOM 1211 CA SER A 57 -13.711 -4.554 0.592 1.00 0.00 C ATOM 1212 C SER A 57 -14.148 -3.952 -0.740 1.00 0.00 C ATOM 1213 O SER A 57 -14.417 -4.674 -1.701 1.00 0.00 O ATOM 1214 CB SER A 57 -14.931 -4.852 1.470 1.00 0.00 C ATOM 1215 OG SER A 57 -16.056 -4.084 1.073 1.00 0.00 O ATOM 0 H SER A 57 -13.116 -3.377 2.220 1.00 0.00 H new ATOM 0 HA SER A 57 -13.187 -5.487 0.385 1.00 0.00 H new ATOM 0 HB2 SER A 57 -15.174 -5.913 1.410 1.00 0.00 H new ATOM 0 HB3 SER A 57 -14.692 -4.638 2.512 1.00 0.00 H new ATOM 0 HG SER A 57 -16.818 -4.298 1.651 1.00 0.00 H new ATOM 1221 N ASP A 58 -14.215 -2.626 -0.791 1.00 0.00 N ATOM 1222 CA ASP A 58 -14.617 -1.925 -2.005 1.00 0.00 C ATOM 1223 C ASP A 58 -13.421 -1.707 -2.926 1.00 0.00 C ATOM 1224 O ASP A 58 -13.511 -1.911 -4.137 1.00 0.00 O ATOM 1225 CB ASP A 58 -15.260 -0.581 -1.655 1.00 0.00 C ATOM 1226 CG ASP A 58 -16.759 -0.691 -1.460 1.00 0.00 C ATOM 1227 OD1 ASP A 58 -17.199 -1.623 -0.755 1.00 0.00 O1- ATOM 1228 OD2 ASP A 58 -17.493 0.156 -2.012 1.00 0.00 O ATOM 0 H ASP A 58 -13.996 -2.014 -0.005 1.00 0.00 H new ATOM 0 HA ASP A 58 -15.348 -2.542 -2.527 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -14.806 -0.190 -0.745 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -15.051 0.136 -2.449 1.00 0.00 H new ATOM 1233 N TYR A 59 -12.300 -1.292 -2.344 1.00 0.00 N ATOM 1234 CA TYR A 59 -11.085 -1.048 -3.112 1.00 0.00 C ATOM 1235 C TYR A 59 -10.399 -2.360 -3.495 1.00 0.00 C ATOM 1236 O TYR A 59 -9.426 -2.361 -4.250 1.00 0.00 O ATOM 1237 CB TYR A 59 -10.120 -0.170 -2.314 1.00 0.00 C ATOM 1238 CG TYR A 59 -10.401 1.311 -2.443 1.00 0.00 C ATOM 1239 CD1 TYR A 59 -10.670 1.881 -3.682 1.00 0.00 C ATOM 1240 CD2 TYR A 59 -10.399 2.138 -1.326 1.00 0.00 C ATOM 1241 CE1 TYR A 59 -10.927 3.233 -3.804 1.00 0.00 C ATOM 1242 CE2 TYR A 59 -10.657 3.491 -1.442 1.00 0.00 C ATOM 1243 CZ TYR A 59 -10.920 4.033 -2.681 1.00 0.00 C ATOM 1244 OH TYR A 59 -11.176 5.380 -2.799 1.00 0.00 O ATOM 0 H TYR A 59 -12.208 -1.118 -1.343 1.00 0.00 H new ATOM 0 HA TYR A 59 -11.368 -0.530 -4.028 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -10.172 -0.451 -1.262 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -9.101 -0.368 -2.647 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -10.678 1.257 -4.563 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -10.193 1.717 -0.353 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -11.132 3.661 -4.774 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -10.652 4.121 -0.565 1.00 0.00 H new ATOM 0 HH TYR A 59 -10.338 5.881 -2.715 1.00 0.00 H new ATOM 1254 N ASN A 60 -10.910 -3.474 -2.975 1.00 0.00 N ATOM 1255 CA ASN A 60 -10.346 -4.787 -3.268 1.00 0.00 C ATOM 1256 C ASN A 60 -8.914 -4.899 -2.748 1.00 0.00 C ATOM 1257 O ASN A 60 -8.041 -5.449 -3.420 1.00 0.00 O ATOM 1258 CB ASN A 60 -10.378 -5.056 -4.775 1.00 0.00 C ATOM 1259 CG ASN A 60 -11.665 -5.728 -5.213 1.00 0.00 C ATOM 1260 OD1 ASN A 60 -11.766 -6.955 -5.218 1.00 0.00 O ATOM 1261 ND2 ASN A 60 -12.656 -4.927 -5.584 1.00 0.00 N ATOM 0 H ASN A 60 -11.714 -3.492 -2.348 1.00 0.00 H new ATOM 0 HA ASN A 60 -10.955 -5.535 -2.759 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -10.261 -4.115 -5.312 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -9.531 -5.686 -5.047 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -13.545 -5.323 -5.889 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -12.529 -3.915 -5.564 1.00 0.00 H new ATOM 1268 N ILE A 61 -8.682 -4.381 -1.546 1.00 0.00 N ATOM 1269 CA ILE A 61 -7.357 -4.434 -0.940 1.00 0.00 C ATOM 1270 C ILE A 61 -7.153 -5.746 -0.190 1.00 0.00 C ATOM 1271 O ILE A 61 -7.622 -5.909 0.937 1.00 0.00 O ATOM 1272 CB ILE A 61 -7.128 -3.255 0.028 1.00 0.00 C ATOM 1273 CG1 ILE A 61 -7.473 -1.930 -0.653 1.00 0.00 C ATOM 1274 CG2 ILE A 61 -5.686 -3.245 0.512 1.00 0.00 C ATOM 1275 CD1 ILE A 61 -7.474 -0.751 0.294 1.00 0.00 C ATOM 0 H ILE A 61 -9.391 -3.922 -0.975 1.00 0.00 H new ATOM 0 HA ILE A 61 -6.634 -4.365 -1.752 1.00 0.00 H new ATOM 0 HB ILE A 61 -7.784 -3.379 0.890 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -6.756 -1.744 -1.453 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -8.455 -2.014 -1.118 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -5.537 -2.408 1.194 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -5.470 -4.179 1.030 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -5.016 -3.140 -0.342 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -7.726 0.156 -0.255 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -8.211 -0.916 1.080 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -6.486 -0.642 0.740 1.00 0.00 H new ATOM 1287 N GLN A 62 -6.457 -6.682 -0.827 1.00 0.00 N ATOM 1288 CA GLN A 62 -6.195 -7.986 -0.227 1.00 0.00 C ATOM 1289 C GLN A 62 -5.118 -7.890 0.851 1.00 0.00 C ATOM 1290 O GLN A 62 -4.637 -6.803 1.167 1.00 0.00 O ATOM 1291 CB GLN A 62 -5.769 -8.988 -1.301 1.00 0.00 C ATOM 1292 CG GLN A 62 -6.929 -9.756 -1.911 1.00 0.00 C ATOM 1293 CD GLN A 62 -7.400 -10.897 -1.031 1.00 0.00 C ATOM 1294 OE1 GLN A 62 -6.969 -12.039 -1.190 1.00 0.00 O ATOM 1295 NE2 GLN A 62 -8.291 -10.593 -0.094 1.00 0.00 N ATOM 0 H GLN A 62 -6.063 -6.562 -1.760 1.00 0.00 H new ATOM 0 HA GLN A 62 -7.117 -8.332 0.240 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -5.240 -8.457 -2.092 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -5.064 -9.696 -0.866 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -7.759 -9.072 -2.088 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -6.628 -10.151 -2.881 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -8.622 -9.633 0.003 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -8.645 -11.320 0.528 1.00 0.00 H new ATOM 1304 N LYS A 63 -4.749 -9.038 1.412 1.00 0.00 N ATOM 1305 CA LYS A 63 -3.731 -9.090 2.455 1.00 0.00 C ATOM 1306 C LYS A 63 -2.347 -8.795 1.884 1.00 0.00 C ATOM 1307 O LYS A 63 -2.080 -9.049 0.710 1.00 0.00 O ATOM 1308 CB LYS A 63 -3.734 -10.461 3.132 1.00 0.00 C ATOM 1309 CG LYS A 63 -3.340 -11.599 2.205 1.00 0.00 C ATOM 1310 CD LYS A 63 -3.853 -12.936 2.712 1.00 0.00 C ATOM 1311 CE LYS A 63 -3.285 -13.270 4.081 1.00 0.00 C ATOM 1312 NZ LYS A 63 -4.299 -13.911 4.963 1.00 0.00 N1+ ATOM 0 H LYS A 63 -5.141 -9.946 1.161 1.00 0.00 H new ATOM 0 HA LYS A 63 -3.968 -8.326 3.195 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -3.048 -10.440 3.979 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -4.729 -10.657 3.532 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -3.737 -11.411 1.208 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -2.254 -11.636 2.114 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -4.941 -12.912 2.765 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -3.585 -13.721 2.005 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -2.430 -13.937 3.966 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -2.917 -12.359 4.553 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -3.871 -14.123 5.887 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -5.103 -13.265 5.094 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -4.632 -14.794 4.525 1.00 0.00 H new ATOM 1326 N GLU A 64 -1.470 -8.254 2.726 1.00 0.00 N ATOM 1327 CA GLU A 64 -0.110 -7.919 2.312 1.00 0.00 C ATOM 1328 C GLU A 64 -0.115 -7.067 1.045 1.00 0.00 C ATOM 1329 O GLU A 64 0.849 -7.073 0.280 1.00 0.00 O ATOM 1330 CB GLU A 64 0.707 -9.192 2.083 1.00 0.00 C ATOM 1331 CG GLU A 64 1.106 -9.897 3.369 1.00 0.00 C ATOM 1332 CD GLU A 64 1.975 -11.114 3.120 1.00 0.00 C ATOM 1333 OE1 GLU A 64 1.421 -12.181 2.784 1.00 0.00 O ATOM 1334 OE2 GLU A 64 3.211 -11.000 3.260 1.00 0.00 O1- ATOM 0 H GLU A 64 -1.677 -8.038 3.701 1.00 0.00 H new ATOM 0 HA GLU A 64 0.350 -7.340 3.113 1.00 0.00 H new ATOM 0 HB2 GLU A 64 0.128 -9.879 1.466 1.00 0.00 H new ATOM 0 HB3 GLU A 64 1.607 -8.940 1.522 1.00 0.00 H new ATOM 0 HG2 GLU A 64 1.641 -9.198 4.011 1.00 0.00 H new ATOM 0 HG3 GLU A 64 0.208 -10.200 3.907 1.00 0.00 H new ATOM 1341 N SER A 65 -1.203 -6.335 0.833 1.00 0.00 N ATOM 1342 CA SER A 65 -1.329 -5.478 -0.338 1.00 0.00 C ATOM 1343 C SER A 65 -0.518 -4.200 -0.160 1.00 0.00 C ATOM 1344 O SER A 65 -0.367 -3.702 0.956 1.00 0.00 O ATOM 1345 CB SER A 65 -2.798 -5.134 -0.591 1.00 0.00 C ATOM 1346 OG SER A 65 -3.527 -6.276 -1.004 1.00 0.00 O ATOM 0 H SER A 65 -2.010 -6.318 1.457 1.00 0.00 H new ATOM 0 HA SER A 65 -0.939 -6.020 -1.200 1.00 0.00 H new ATOM 0 HB2 SER A 65 -3.240 -4.726 0.318 1.00 0.00 H new ATOM 0 HB3 SER A 65 -2.867 -4.359 -1.355 1.00 0.00 H new ATOM 0 HG SER A 65 -4.039 -6.063 -1.812 1.00 0.00 H new ATOM 1352 N THR A 66 0.004 -3.675 -1.262 1.00 0.00 N ATOM 1353 CA THR A 66 0.802 -2.457 -1.220 1.00 0.00 C ATOM 1354 C THR A 66 -0.079 -1.223 -1.378 1.00 0.00 C ATOM 1355 O THR A 66 -0.504 -0.887 -2.483 1.00 0.00 O ATOM 1356 CB THR A 66 1.875 -2.480 -2.311 1.00 0.00 C ATOM 1357 OG1 THR A 66 1.636 -3.530 -3.231 1.00 0.00 O ATOM 1358 CG2 THR A 66 3.274 -2.663 -1.761 1.00 0.00 C ATOM 0 H THR A 66 -0.111 -4.073 -2.194 1.00 0.00 H new ATOM 0 HA THR A 66 1.291 -2.409 -0.247 1.00 0.00 H new ATOM 0 HB THR A 66 1.813 -1.508 -2.800 1.00 0.00 H new ATOM 0 HG1 THR A 66 2.332 -3.525 -3.921 1.00 0.00 H new ATOM 0 HG21 THR A 66 3.990 -2.671 -2.583 1.00 0.00 H new ATOM 0 HG22 THR A 66 3.509 -1.842 -1.083 1.00 0.00 H new ATOM 0 HG23 THR A 66 3.332 -3.608 -1.220 1.00 0.00 H new ATOM 1366 N LEU A 67 -0.350 -0.547 -0.264 1.00 0.00 N ATOM 1367 CA LEU A 67 -1.180 0.652 -0.284 1.00 0.00 C ATOM 1368 C LEU A 67 -0.317 1.906 -0.385 1.00 0.00 C ATOM 1369 O LEU A 67 0.500 2.181 0.493 1.00 0.00 O ATOM 1370 CB LEU A 67 -2.060 0.718 0.971 1.00 0.00 C ATOM 1371 CG LEU A 67 -3.318 -0.150 0.937 1.00 0.00 C ATOM 1372 CD1 LEU A 67 -4.246 0.209 2.087 1.00 0.00 C ATOM 1373 CD2 LEU A 67 -4.042 -0.008 -0.394 1.00 0.00 C ATOM 0 H LEU A 67 -0.008 -0.809 0.660 1.00 0.00 H new ATOM 0 HA LEU A 67 -1.824 0.603 -1.162 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -1.459 0.423 1.831 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -2.358 1.754 1.131 1.00 0.00 H new ATOM 0 HG LEU A 67 -3.013 -1.190 1.049 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -5.136 -0.419 2.046 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -3.731 0.048 3.034 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -4.537 1.256 2.006 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -4.933 -0.636 -0.392 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -4.331 1.033 -0.542 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -3.381 -0.319 -1.203 1.00 0.00 H new ATOM 1385 N HIS A 68 -0.504 2.658 -1.463 1.00 0.00 N ATOM 1386 CA HIS A 68 0.258 3.881 -1.686 1.00 0.00 C ATOM 1387 C HIS A 68 -0.019 4.904 -0.589 1.00 0.00 C ATOM 1388 O HIS A 68 -1.172 5.171 -0.251 1.00 0.00 O ATOM 1389 CB HIS A 68 -0.082 4.480 -3.052 1.00 0.00 C ATOM 1390 CG HIS A 68 -0.122 3.468 -4.157 1.00 0.00 C ATOM 1391 ND1 HIS A 68 0.611 2.300 -4.134 1.00 0.00 N ATOM 1392 CD2 HIS A 68 -0.813 3.455 -5.321 1.00 0.00 C ATOM 1393 CE1 HIS A 68 0.373 1.612 -5.237 1.00 0.00 C ATOM 1394 NE2 HIS A 68 -0.489 2.291 -5.973 1.00 0.00 N ATOM 0 H HIS A 68 -1.178 2.442 -2.198 1.00 0.00 H new ATOM 0 HA HIS A 68 1.317 3.625 -1.662 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -1.050 4.977 -2.991 1.00 0.00 H new ATOM 0 HB3 HIS A 68 0.654 5.245 -3.298 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -1.492 4.218 -5.671 1.00 0.00 H new ATOM 0 HE1 HIS A 68 0.809 0.658 -5.493 1.00 0.00 H new ATOM 0 HE2 HIS A 68 -0.855 1.998 -6.879 1.00 0.00 H new ATOM 1403 N LEU A 69 1.047 5.476 -0.038 1.00 0.00 N ATOM 1404 CA LEU A 69 0.922 6.473 1.019 1.00 0.00 C ATOM 1405 C LEU A 69 1.557 7.793 0.595 1.00 0.00 C ATOM 1406 O LEU A 69 2.557 7.810 -0.121 1.00 0.00 O ATOM 1407 CB LEU A 69 1.579 5.970 2.306 1.00 0.00 C ATOM 1408 CG LEU A 69 1.093 6.644 3.585 1.00 0.00 C ATOM 1409 CD1 LEU A 69 1.121 5.665 4.750 1.00 0.00 C ATOM 1410 CD2 LEU A 69 1.952 7.852 3.885 1.00 0.00 C ATOM 0 H LEU A 69 2.008 5.266 -0.307 1.00 0.00 H new ATOM 0 HA LEU A 69 -0.139 6.640 1.203 1.00 0.00 H new ATOM 0 HB2 LEU A 69 1.404 4.897 2.390 1.00 0.00 H new ATOM 0 HB3 LEU A 69 2.657 6.112 2.225 1.00 0.00 H new ATOM 0 HG LEU A 69 0.063 6.970 3.442 1.00 0.00 H new ATOM 0 HD11 LEU A 69 0.771 6.164 5.653 1.00 0.00 H new ATOM 0 HD12 LEU A 69 0.472 4.818 4.529 1.00 0.00 H new ATOM 0 HD13 LEU A 69 2.140 5.311 4.903 1.00 0.00 H new ATOM 0 HD21 LEU A 69 1.601 8.330 4.799 1.00 0.00 H new ATOM 0 HD22 LEU A 69 2.988 7.539 4.014 1.00 0.00 H new ATOM 0 HD23 LEU A 69 1.887 8.559 3.058 1.00 0.00 H new ATOM 1422 N VAL A 70 0.969 8.898 1.043 1.00 0.00 N ATOM 1423 CA VAL A 70 1.478 10.222 0.710 1.00 0.00 C ATOM 1424 C VAL A 70 1.701 11.057 1.967 1.00 0.00 C ATOM 1425 O VAL A 70 0.777 11.695 2.472 1.00 0.00 O ATOM 1426 CB VAL A 70 0.515 10.974 -0.228 1.00 0.00 C ATOM 1427 CG1 VAL A 70 1.140 12.277 -0.705 1.00 0.00 C ATOM 1428 CG2 VAL A 70 0.127 10.097 -1.408 1.00 0.00 C ATOM 0 H VAL A 70 0.140 8.902 1.637 1.00 0.00 H new ATOM 0 HA VAL A 70 2.430 10.076 0.200 1.00 0.00 H new ATOM 0 HB VAL A 70 -0.390 11.216 0.329 1.00 0.00 H new ATOM 0 HG11 VAL A 70 0.444 12.793 -1.366 1.00 0.00 H new ATOM 0 HG12 VAL A 70 1.362 12.910 0.154 1.00 0.00 H new ATOM 0 HG13 VAL A 70 2.062 12.062 -1.245 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -0.554 10.645 -2.060 1.00 0.00 H new ATOM 0 HG22 VAL A 70 1.022 9.822 -1.966 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -0.366 9.195 -1.045 1.00 0.00 H new ATOM 1438 N LEU A 71 2.933 11.047 2.467 1.00 0.00 N ATOM 1439 CA LEU A 71 3.277 11.804 3.665 1.00 0.00 C ATOM 1440 C LEU A 71 3.363 13.296 3.360 1.00 0.00 C ATOM 1441 O LEU A 71 4.331 13.761 2.758 1.00 0.00 O ATOM 1442 CB LEU A 71 4.606 11.312 4.241 1.00 0.00 C ATOM 1443 CG LEU A 71 4.738 9.792 4.362 1.00 0.00 C ATOM 1444 CD1 LEU A 71 6.199 9.391 4.484 1.00 0.00 C ATOM 1445 CD2 LEU A 71 3.941 9.283 5.554 1.00 0.00 C ATOM 0 H LEU A 71 3.709 10.523 2.061 1.00 0.00 H new ATOM 0 HA LEU A 71 2.489 11.647 4.402 1.00 0.00 H new ATOM 0 HB2 LEU A 71 5.416 11.683 3.613 1.00 0.00 H new ATOM 0 HB3 LEU A 71 4.742 11.753 5.229 1.00 0.00 H new ATOM 0 HG LEU A 71 4.333 9.337 3.458 1.00 0.00 H new ATOM 0 HD11 LEU A 71 6.273 8.307 4.569 1.00 0.00 H new ATOM 0 HD12 LEU A 71 6.743 9.723 3.600 1.00 0.00 H new ATOM 0 HD13 LEU A 71 6.631 9.855 5.371 1.00 0.00 H new ATOM 0 HD21 LEU A 71 4.045 8.200 5.626 1.00 0.00 H new ATOM 0 HD22 LEU A 71 4.317 9.745 6.467 1.00 0.00 H new ATOM 0 HD23 LEU A 71 2.889 9.538 5.424 1.00 0.00 H new ATOM 1457 N ARG A 72 2.346 14.041 3.779 1.00 0.00 N ATOM 1458 CA ARG A 72 2.307 15.481 3.551 1.00 0.00 C ATOM 1459 C ARG A 72 2.881 16.236 4.745 1.00 0.00 C ATOM 1460 O ARG A 72 2.218 16.397 5.769 1.00 0.00 O ATOM 1461 CB ARG A 72 0.871 15.939 3.286 1.00 0.00 C ATOM 1462 CG ARG A 72 0.783 17.261 2.542 1.00 0.00 C ATOM 1463 CD ARG A 72 -0.578 17.914 2.727 1.00 0.00 C ATOM 1464 NE ARG A 72 -0.472 19.364 2.874 1.00 0.00 N ATOM 1465 CZ ARG A 72 -1.435 20.129 3.385 1.00 0.00 C ATOM 1466 NH1 ARG A 72 -2.574 19.587 3.798 1.00 0.00 N1+ ATOM 1467 NH2 ARG A 72 -1.258 21.439 3.483 1.00 0.00 N ATOM 0 H ARG A 72 1.537 13.671 4.279 1.00 0.00 H new ATOM 0 HA ARG A 72 2.918 15.701 2.676 1.00 0.00 H new ATOM 0 HB2 ARG A 72 0.354 15.172 2.709 1.00 0.00 H new ATOM 0 HB3 ARG A 72 0.346 16.031 4.237 1.00 0.00 H new ATOM 0 HG2 ARG A 72 1.562 17.934 2.900 1.00 0.00 H new ATOM 0 HG3 ARG A 72 0.967 17.096 1.481 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -1.211 17.681 1.871 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -1.065 17.495 3.607 1.00 0.00 H new ATOM 0 HE ARG A 72 0.389 19.816 2.568 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -2.715 18.579 3.725 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -3.308 20.178 4.189 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -0.385 21.861 3.167 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -1.995 22.025 3.874 1.00 0.00 H new ATOM 1481 N LEU A 73 4.119 16.700 4.605 1.00 0.00 N ATOM 1482 CA LEU A 73 4.784 17.439 5.671 1.00 0.00 C ATOM 1483 C LEU A 73 4.534 18.938 5.532 1.00 0.00 C ATOM 1484 O LEU A 73 5.082 19.588 4.641 1.00 0.00 O ATOM 1485 CB LEU A 73 6.287 17.159 5.656 1.00 0.00 C ATOM 1486 CG LEU A 73 6.953 17.120 7.032 1.00 0.00 C ATOM 1487 CD1 LEU A 73 6.260 16.109 7.932 1.00 0.00 C ATOM 1488 CD2 LEU A 73 8.433 16.791 6.898 1.00 0.00 C ATOM 0 H LEU A 73 4.682 16.577 3.763 1.00 0.00 H new ATOM 0 HA LEU A 73 4.369 17.105 6.622 1.00 0.00 H new ATOM 0 HB2 LEU A 73 6.458 16.204 5.159 1.00 0.00 H new ATOM 0 HB3 LEU A 73 6.777 17.924 5.054 1.00 0.00 H new ATOM 0 HG LEU A 73 6.860 18.106 7.488 1.00 0.00 H new ATOM 0 HD11 LEU A 73 6.748 16.095 8.907 1.00 0.00 H new ATOM 0 HD12 LEU A 73 5.213 16.388 8.054 1.00 0.00 H new ATOM 0 HD13 LEU A 73 6.322 15.118 7.481 1.00 0.00 H new ATOM 0 HD21 LEU A 73 8.891 16.767 7.887 1.00 0.00 H new ATOM 0 HD22 LEU A 73 8.548 15.817 6.421 1.00 0.00 H new ATOM 0 HD23 LEU A 73 8.921 17.552 6.290 1.00 0.00 H new ATOM 1500 N ARG A 74 3.702 19.479 6.417 1.00 0.00 N ATOM 1501 CA ARG A 74 3.380 20.902 6.392 1.00 0.00 C ATOM 1502 C ARG A 74 4.636 21.748 6.570 1.00 0.00 C ATOM 1503 O ARG A 74 5.630 21.290 7.133 1.00 0.00 O ATOM 1504 CB ARG A 74 2.366 21.234 7.487 1.00 0.00 C ATOM 1505 CG ARG A 74 0.923 21.001 7.074 1.00 0.00 C ATOM 1506 CD ARG A 74 -0.026 21.148 8.251 1.00 0.00 C ATOM 1507 NE ARG A 74 -1.363 21.562 7.829 1.00 0.00 N ATOM 1508 CZ ARG A 74 -1.672 22.803 7.459 1.00 0.00 C ATOM 1509 NH1 ARG A 74 -0.746 23.753 7.457 1.00 0.00 N1+ ATOM 1510 NH2 ARG A 74 -2.913 23.093 7.089 1.00 0.00 N ATOM 0 H ARG A 74 3.239 18.954 7.159 1.00 0.00 H new ATOM 0 HA ARG A 74 2.944 21.134 5.420 1.00 0.00 H new ATOM 0 HB2 ARG A 74 2.585 20.630 8.368 1.00 0.00 H new ATOM 0 HB3 ARG A 74 2.487 22.277 7.778 1.00 0.00 H new ATOM 0 HG2 ARG A 74 0.648 21.710 6.293 1.00 0.00 H new ATOM 0 HG3 ARG A 74 0.823 20.003 6.647 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -0.092 20.200 8.784 1.00 0.00 H new ATOM 0 HD3 ARG A 74 0.376 21.880 8.951 1.00 0.00 H new ATOM 0 HE ARG A 74 -2.102 20.859 7.817 1.00 0.00 H new ATOM 0 HH11 ARG A 74 0.209 23.535 7.740 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -0.989 24.702 7.172 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -3.628 22.366 7.088 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -3.152 24.043 6.805 1.00 0.00 H new ATOM 1524 N GLY A 75 4.583 22.985 6.087 1.00 0.00 N ATOM 1525 CA GLY A 75 5.722 23.876 6.204 1.00 0.00 C ATOM 1526 C GLY A 75 5.375 25.311 5.861 1.00 0.00 C ATOM 1527 O GLY A 75 5.189 26.141 6.751 1.00 0.00 O ATOM 0 H GLY A 75 3.772 23.386 5.617 1.00 0.00 H new ATOM 0 HA2 GLY A 75 6.110 23.833 7.222 1.00 0.00 H new ATOM 0 HA3 GLY A 75 6.518 23.531 5.545 1.00 0.00 H new ATOM 1531 N GLY A 76 5.286 25.604 4.568 1.00 0.00 N ATOM 1532 CA GLY A 76 4.958 26.949 4.133 1.00 0.00 C ATOM 1533 C GLY A 76 6.098 27.923 4.350 1.00 0.00 C ATOM 1534 O GLY A 76 6.838 28.196 3.381 1.00 0.00 O ATOM 1535 OXT GLY A 76 6.251 28.414 5.488 1.00 0.00 O ATOM 0 H GLY A 76 5.435 24.934 3.813 1.00 0.00 H new ATOM 0 HA2 GLY A 76 4.696 26.931 3.075 1.00 0.00 H new ATOM 0 HA3 GLY A 76 4.078 27.298 4.674 1.00 0.00 H new TER 1539 GLY A 76