USER MOD reduce.3.24.130724 H: found=0, std=0, add=722, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 726 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 40 TYR OH : rot 30:sc= -2.77! USER MOD Set 1.2: A 82 TYR OH : rot -74:sc= 1.26 USER MOD Set 2.1: A 14 TYR OH : rot -11:sc= 1.17 USER MOD Set 2.2: A 44 GLN :FLIP amide:sc= -0.208 F(o=-1.1,f=0.96) USER MOD Single : A 1 HIS : no HE2:sc= -0.504 K(o=-0.5,f=-2.2) USER MOD Single : A 1 HIS N :NH3+ 146:sc= 0.0437 (180deg=-0.153) USER MOD Single : A 2 MET CE :methyl -168:sc=-0.00931 (180deg=-0.202) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 ASN : amide:sc= -1.73! C(o=-1.7!,f=-1.7!) USER MOD Single : A 15 ASN : amide:sc= -0.235 X(o=-0.23,f=-0.077) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 ASN : amide:sc= 0.51 K(o=0.51,f=-4.6!) USER MOD Single : A 27 HIS : no HD1:sc= -0.25 X(o=-0.25,f=-0.29) USER MOD Single : A 28 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 GLN : amide:sc= -1.29 X(o=-1.3,f=-0.84) USER MOD Single : A 46 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 ASN : amide:sc= -0.453 K(o=-0.45,f=-1.3) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 THR OG1 : rot 69:sc= -1.98 USER MOD Single : A 70 ASN : amide:sc= -5.62! C(o=-5.6!,f=-7.3!) USER MOD Single : A 73 ASN : amide:sc= -0.658 X(o=-0.66,f=-0.73) USER MOD Single : A 75 THR OG1 : rot 39:sc= 0.0793 USER MOD Single : A 77 TYR OH : rot 180:sc= -0.452 USER MOD Single : A 80 SER OG : rot -102:sc= 1.26 USER MOD Single : A 81 ASN : amide:sc= -0.366 K(o=-0.37,f=-1.3) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N HIS A 1 -10.660 -13.174 4.551 1.00 43.24 N ATOM 2 CA HIS A 1 -11.288 -12.664 5.762 1.00 23.43 C ATOM 3 C HIS A 1 -10.467 -11.529 6.365 1.00 43.50 C ATOM 4 O HIS A 1 -9.259 -11.438 6.143 1.00 21.32 O ATOM 5 CB HIS A 1 -11.457 -13.786 6.787 1.00 72.32 C ATOM 6 CG HIS A 1 -10.209 -14.584 7.012 1.00 55.01 C ATOM 7 ND1 HIS A 1 -8.996 -14.010 7.328 1.00 42.54 N ATOM 8 CD2 HIS A 1 -9.992 -15.918 6.967 1.00 74.22 C ATOM 9 CE1 HIS A 1 -8.086 -14.958 7.465 1.00 41.02 C ATOM 10 NE2 HIS A 1 -8.665 -16.125 7.252 1.00 65.32 N ATOM 0 H1 HIS A 1 -10.831 -14.197 4.476 1.00 43.24 H new ATOM 0 H2 HIS A 1 -11.064 -12.694 3.722 1.00 43.24 H new ATOM 0 H3 HIS A 1 -9.636 -12.996 4.590 1.00 43.24 H new ATOM 0 HA HIS A 1 -12.271 -12.275 5.494 1.00 23.43 H new ATOM 0 HB2 HIS A 1 -11.779 -13.355 7.735 1.00 72.32 H new ATOM 0 HB3 HIS A 1 -12.251 -14.455 6.454 1.00 72.32 H new ATOM 0 HD1 HIS A 1 -8.828 -13.010 7.439 1.00 42.54 H new ATOM 0 HD2 HIS A 1 -10.726 -16.679 6.748 1.00 74.22 H new ATOM 0 HE1 HIS A 1 -7.045 -14.804 7.710 1.00 41.02 H new ATOM 19 N MET A 2 -11.130 -10.664 7.126 1.00 2.40 N ATOM 20 CA MET A 2 -10.459 -9.534 7.761 1.00 51.51 C ATOM 21 C MET A 2 -11.171 -9.133 9.049 1.00 43.25 C ATOM 22 O MET A 2 -12.400 -9.089 9.103 1.00 22.13 O ATOM 23 CB MET A 2 -10.405 -8.342 6.803 1.00 45.00 C ATOM 24 CG MET A 2 -9.192 -8.356 5.885 1.00 54.42 C ATOM 25 SD MET A 2 -9.033 -6.838 4.923 1.00 5.44 S ATOM 26 CE MET A 2 -10.469 -6.958 3.860 1.00 5.12 C ATOM 0 H MET A 2 -12.130 -10.723 7.318 1.00 2.40 H new ATOM 0 HA MET A 2 -9.442 -9.839 8.008 1.00 51.51 H new ATOM 0 HB2 MET A 2 -11.310 -8.333 6.196 1.00 45.00 H new ATOM 0 HB3 MET A 2 -10.401 -7.419 7.383 1.00 45.00 H new ATOM 0 HG2 MET A 2 -8.291 -8.500 6.481 1.00 54.42 H new ATOM 0 HG3 MET A 2 -9.264 -9.206 5.206 1.00 54.42 H new ATOM 0 HE1 MET A 2 -10.399 -6.213 3.068 1.00 5.12 H new ATOM 0 HE2 MET A 2 -10.513 -7.954 3.419 1.00 5.12 H new ATOM 0 HE3 MET A 2 -11.371 -6.781 4.446 1.00 5.12 H new ATOM 36 N LYS A 3 -10.390 -8.842 10.085 1.00 1.22 N ATOM 37 CA LYS A 3 -10.944 -8.444 11.372 1.00 0.34 C ATOM 38 C LYS A 3 -10.147 -7.293 11.976 1.00 24.20 C ATOM 39 O LYS A 3 -8.918 -7.284 11.919 1.00 3.13 O ATOM 40 CB LYS A 3 -10.955 -9.633 12.336 1.00 13.24 C ATOM 41 CG LYS A 3 -9.629 -10.370 12.406 1.00 15.12 C ATOM 42 CD LYS A 3 -9.391 -10.959 13.787 1.00 1.43 C ATOM 43 CE LYS A 3 -9.123 -12.454 13.717 1.00 20.22 C ATOM 44 NZ LYS A 3 -7.670 -12.752 13.595 1.00 42.54 N ATOM 0 H LYS A 3 -9.371 -8.875 10.057 1.00 1.22 H new ATOM 0 HA LYS A 3 -11.968 -8.107 11.209 1.00 0.34 H new ATOM 0 HB2 LYS A 3 -11.218 -9.279 13.333 1.00 13.24 H new ATOM 0 HB3 LYS A 3 -11.734 -10.331 12.030 1.00 13.24 H new ATOM 0 HG2 LYS A 3 -9.615 -11.167 11.662 1.00 15.12 H new ATOM 0 HG3 LYS A 3 -8.818 -9.686 12.156 1.00 15.12 H new ATOM 0 HD2 LYS A 3 -8.544 -10.458 14.256 1.00 1.43 H new ATOM 0 HD3 LYS A 3 -10.260 -10.773 14.418 1.00 1.43 H new ATOM 0 HE2 LYS A 3 -9.519 -12.936 14.611 1.00 20.22 H new ATOM 0 HE3 LYS A 3 -9.654 -12.878 12.865 1.00 20.22 H new ATOM 0 HZ1 LYS A 3 -7.529 -13.781 13.550 1.00 42.54 H new ATOM 0 HZ2 LYS A 3 -7.297 -12.314 12.729 1.00 42.54 H new ATOM 0 HZ3 LYS A 3 -7.167 -12.369 14.421 1.00 42.54 H new ATOM 58 N GLU A 4 -10.853 -6.328 12.556 1.00 3.40 N ATOM 59 CA GLU A 4 -10.207 -5.173 13.170 1.00 72.43 C ATOM 60 C GLU A 4 -9.450 -4.355 12.129 1.00 73.33 C ATOM 61 O GLU A 4 -9.457 -4.681 10.942 1.00 70.25 O ATOM 62 CB GLU A 4 -9.251 -5.624 14.276 1.00 73.24 C ATOM 63 CG GLU A 4 -9.571 -5.032 15.638 1.00 42.15 C ATOM 64 CD GLU A 4 -8.925 -5.801 16.774 1.00 75.42 C ATOM 65 OE1 GLU A 4 -7.684 -5.930 16.773 1.00 65.01 O ATOM 66 OE2 GLU A 4 -9.663 -6.275 17.664 1.00 20.33 O ATOM 0 H GLU A 4 -11.871 -6.322 12.614 1.00 3.40 H new ATOM 0 HA GLU A 4 -10.983 -4.544 13.605 1.00 72.43 H new ATOM 0 HB2 GLU A 4 -9.278 -6.711 14.347 1.00 73.24 H new ATOM 0 HB3 GLU A 4 -8.233 -5.348 14.000 1.00 73.24 H new ATOM 0 HG2 GLU A 4 -9.234 -3.996 15.668 1.00 42.15 H new ATOM 0 HG3 GLU A 4 -10.652 -5.020 15.780 1.00 42.15 H new ATOM 73 N ARG A 5 -8.798 -3.289 12.583 1.00 43.04 N ATOM 74 CA ARG A 5 -8.035 -2.423 11.692 1.00 54.21 C ATOM 75 C ARG A 5 -6.909 -3.197 11.013 1.00 5.34 C ATOM 76 O ARG A 5 -6.494 -4.265 11.466 1.00 14.34 O ATOM 77 CB ARG A 5 -7.460 -1.237 12.467 1.00 62.02 C ATOM 78 CG ARG A 5 -8.222 0.059 12.252 1.00 54.20 C ATOM 79 CD ARG A 5 -9.341 0.223 13.268 1.00 42.43 C ATOM 80 NE ARG A 5 -9.259 1.501 13.970 1.00 21.23 N ATOM 81 CZ ARG A 5 -10.087 1.857 14.947 1.00 51.41 C ATOM 82 NH1 ARG A 5 -11.052 1.037 15.335 1.00 52.45 N ATOM 83 NH2 ARG A 5 -9.949 3.038 15.537 1.00 4.21 N ATOM 0 H ARG A 5 -8.783 -3.005 13.562 1.00 43.04 H new ATOM 0 HA ARG A 5 -8.711 -2.051 10.922 1.00 54.21 H new ATOM 0 HB2 ARG A 5 -7.459 -1.475 13.531 1.00 62.02 H new ATOM 0 HB3 ARG A 5 -6.421 -1.091 12.172 1.00 62.02 H new ATOM 0 HG2 ARG A 5 -7.536 0.902 12.326 1.00 54.20 H new ATOM 0 HG3 ARG A 5 -8.639 0.075 11.245 1.00 54.20 H new ATOM 0 HD2 ARG A 5 -10.304 0.148 12.762 1.00 42.43 H new ATOM 0 HD3 ARG A 5 -9.297 -0.591 13.991 1.00 42.43 H new ATOM 0 HE ARG A 5 -8.527 2.156 13.696 1.00 21.23 H new ATOM 0 HH11 ARG A 5 -11.162 0.129 14.884 1.00 52.45 H new ATOM 0 HH12 ARG A 5 -11.685 1.314 16.085 1.00 52.45 H new ATOM 0 HH21 ARG A 5 -9.207 3.673 15.241 1.00 4.21 H new ATOM 0 HH22 ARG A 5 -10.585 3.311 16.287 1.00 4.21 H new ATOM 97 N PRO A 6 -6.400 -2.647 9.900 1.00 61.52 N ATOM 98 CA PRO A 6 -5.314 -3.267 9.136 1.00 54.11 C ATOM 99 C PRO A 6 -3.984 -3.228 9.881 1.00 73.15 C ATOM 100 O PRO A 6 -3.830 -2.537 10.887 1.00 24.11 O ATOM 101 CB PRO A 6 -5.242 -2.415 7.867 1.00 44.15 C ATOM 102 CG PRO A 6 -5.793 -1.091 8.267 1.00 24.10 C ATOM 103 CD PRO A 6 -6.845 -1.377 9.303 1.00 13.11 C ATOM 0 HA PRO A 6 -5.501 -4.324 8.946 1.00 54.11 H new ATOM 0 HB2 PRO A 6 -4.217 -2.325 7.509 1.00 44.15 H new ATOM 0 HB3 PRO A 6 -5.824 -2.858 7.059 1.00 44.15 H new ATOM 0 HG2 PRO A 6 -5.011 -0.449 8.672 1.00 24.10 H new ATOM 0 HG3 PRO A 6 -6.220 -0.571 7.410 1.00 24.10 H new ATOM 0 HD2 PRO A 6 -6.903 -0.582 10.047 1.00 13.11 H new ATOM 0 HD3 PRO A 6 -7.835 -1.468 8.856 1.00 13.11 H new ATOM 111 N PRO A 7 -3.001 -3.988 9.376 1.00 65.15 N ATOM 112 CA PRO A 7 -1.665 -4.056 9.978 1.00 73.43 C ATOM 113 C PRO A 7 -0.885 -2.757 9.807 1.00 54.31 C ATOM 114 O PRO A 7 -1.270 -1.869 9.046 1.00 30.44 O ATOM 115 CB PRO A 7 -0.987 -5.194 9.210 1.00 73.14 C ATOM 116 CG PRO A 7 -1.693 -5.238 7.898 1.00 4.33 C ATOM 117 CD PRO A 7 -3.115 -4.838 8.178 1.00 20.24 C ATOM 0 HA PRO A 7 -1.711 -4.219 11.055 1.00 73.43 H new ATOM 0 HB2 PRO A 7 0.079 -5.004 9.080 1.00 73.14 H new ATOM 0 HB3 PRO A 7 -1.080 -6.141 9.742 1.00 73.14 H new ATOM 0 HG2 PRO A 7 -1.230 -4.558 7.183 1.00 4.33 H new ATOM 0 HG3 PRO A 7 -1.647 -6.237 7.464 1.00 4.33 H new ATOM 0 HD2 PRO A 7 -3.552 -4.295 7.340 1.00 20.24 H new ATOM 0 HD3 PRO A 7 -3.748 -5.706 8.360 1.00 20.24 H new ATOM 125 N PRO A 8 0.240 -2.643 10.528 1.00 23.45 N ATOM 126 CA PRO A 8 1.098 -1.456 10.471 1.00 64.40 C ATOM 127 C PRO A 8 1.825 -1.330 9.137 1.00 41.21 C ATOM 128 O PRO A 8 1.736 -2.213 8.284 1.00 52.42 O ATOM 129 CB PRO A 8 2.100 -1.688 11.606 1.00 54.51 C ATOM 130 CG PRO A 8 2.143 -3.167 11.776 1.00 20.30 C ATOM 131 CD PRO A 8 0.760 -3.662 11.454 1.00 33.20 C ATOM 0 HA PRO A 8 0.525 -0.534 10.571 1.00 64.40 H new ATOM 0 HB2 PRO A 8 3.083 -1.290 11.354 1.00 54.51 H new ATOM 0 HB3 PRO A 8 1.781 -1.193 12.523 1.00 54.51 H new ATOM 0 HG2 PRO A 8 2.882 -3.615 11.112 1.00 20.30 H new ATOM 0 HG3 PRO A 8 2.426 -3.435 12.794 1.00 20.30 H new ATOM 0 HD2 PRO A 8 0.784 -4.649 10.993 1.00 33.20 H new ATOM 0 HD3 PRO A 8 0.144 -3.743 12.349 1.00 33.20 H new ATOM 139 N VAL A 9 2.546 -0.227 8.963 1.00 53.44 N ATOM 140 CA VAL A 9 3.289 0.014 7.732 1.00 42.11 C ATOM 141 C VAL A 9 4.232 -1.143 7.423 1.00 64.20 C ATOM 142 O VAL A 9 4.809 -1.761 8.319 1.00 41.34 O ATOM 143 CB VAL A 9 4.107 1.318 7.816 1.00 61.43 C ATOM 144 CG1 VAL A 9 3.203 2.527 7.626 1.00 63.23 C ATOM 145 CG2 VAL A 9 4.847 1.398 9.143 1.00 55.21 C ATOM 0 H VAL A 9 2.631 0.514 9.659 1.00 53.44 H new ATOM 0 HA VAL A 9 2.554 0.104 6.932 1.00 42.11 H new ATOM 0 HB VAL A 9 4.846 1.316 7.014 1.00 61.43 H new ATOM 0 HG11 VAL A 9 3.797 3.439 7.688 1.00 63.23 H new ATOM 0 HG12 VAL A 9 2.723 2.473 6.649 1.00 63.23 H new ATOM 0 HG13 VAL A 9 2.440 2.537 8.405 1.00 63.23 H new ATOM 0 HG21 VAL A 9 5.419 2.325 9.185 1.00 55.21 H new ATOM 0 HG22 VAL A 9 4.128 1.378 9.962 1.00 55.21 H new ATOM 0 HG23 VAL A 9 5.524 0.549 9.234 1.00 55.21 H new ATOM 155 N PRO A 10 4.392 -1.447 6.128 1.00 43.21 N ATOM 156 CA PRO A 10 5.264 -2.532 5.670 1.00 42.02 C ATOM 157 C PRO A 10 6.742 -2.216 5.879 1.00 73.01 C ATOM 158 O PRO A 10 7.468 -1.939 4.925 1.00 32.51 O ATOM 159 CB PRO A 10 4.947 -2.637 4.177 1.00 71.23 C ATOM 160 CG PRO A 10 4.453 -1.284 3.798 1.00 51.00 C ATOM 161 CD PRO A 10 3.734 -0.753 5.007 1.00 70.23 C ATOM 0 HA PRO A 10 5.089 -3.455 6.223 1.00 42.02 H new ATOM 0 HB2 PRO A 10 5.832 -2.910 3.603 1.00 71.23 H new ATOM 0 HB3 PRO A 10 4.194 -3.401 3.985 1.00 71.23 H new ATOM 0 HG2 PRO A 10 5.279 -0.631 3.517 1.00 51.00 H new ATOM 0 HG3 PRO A 10 3.784 -1.339 2.939 1.00 51.00 H new ATOM 0 HD2 PRO A 10 3.833 0.329 5.090 1.00 70.23 H new ATOM 0 HD3 PRO A 10 2.667 -0.973 4.969 1.00 70.23 H new ATOM 169 N ASN A 11 7.179 -2.261 7.134 1.00 42.11 N ATOM 170 CA ASN A 11 8.571 -1.979 7.467 1.00 22.53 C ATOM 171 C ASN A 11 9.120 -0.850 6.602 1.00 11.35 C ATOM 172 O ASN A 11 9.765 -1.077 5.577 1.00 24.24 O ATOM 173 CB ASN A 11 9.425 -3.235 7.290 1.00 71.13 C ATOM 174 CG ASN A 11 9.026 -4.036 6.064 1.00 22.23 C ATOM 175 OD1 ASN A 11 8.161 -4.910 6.135 1.00 25.13 O ATOM 176 ND2 ASN A 11 9.657 -3.741 4.934 1.00 42.42 N ATOM 0 H ASN A 11 6.591 -2.490 7.935 1.00 42.11 H new ATOM 0 HA ASN A 11 8.612 -1.665 8.510 1.00 22.53 H new ATOM 0 HB2 ASN A 11 10.474 -2.950 7.209 1.00 71.13 H new ATOM 0 HB3 ASN A 11 9.333 -3.862 8.177 1.00 71.13 H new ATOM 0 HD21 ASN A 11 9.432 -4.247 4.077 1.00 42.42 H new ATOM 0 HD22 ASN A 11 10.367 -3.009 4.923 1.00 42.42 H new ATOM 183 N PRO A 12 8.861 0.397 7.020 1.00 12.03 N ATOM 184 CA PRO A 12 9.320 1.588 6.298 1.00 61.33 C ATOM 185 C PRO A 12 10.832 1.769 6.384 1.00 1.44 C ATOM 186 O PRO A 12 11.427 1.601 7.449 1.00 23.32 O ATOM 187 CB PRO A 12 8.602 2.736 7.012 1.00 63.53 C ATOM 188 CG PRO A 12 8.334 2.220 8.384 1.00 14.21 C ATOM 189 CD PRO A 12 8.096 0.742 8.231 1.00 44.40 C ATOM 0 HA PRO A 12 9.100 1.529 5.232 1.00 61.33 H new ATOM 0 HB2 PRO A 12 9.220 3.633 7.040 1.00 63.53 H new ATOM 0 HB3 PRO A 12 7.677 3.003 6.502 1.00 63.53 H new ATOM 0 HG2 PRO A 12 9.179 2.413 9.045 1.00 14.21 H new ATOM 0 HG3 PRO A 12 7.466 2.712 8.823 1.00 14.21 H new ATOM 0 HD2 PRO A 12 8.447 0.186 9.100 1.00 44.40 H new ATOM 0 HD3 PRO A 12 7.036 0.515 8.115 1.00 44.40 H new ATOM 197 N ASP A 13 11.446 2.113 5.258 1.00 61.05 N ATOM 198 CA ASP A 13 12.890 2.318 5.206 1.00 73.11 C ATOM 199 C ASP A 13 13.227 3.626 4.496 1.00 73.54 C ATOM 200 O ASP A 13 13.997 3.642 3.537 1.00 3.32 O ATOM 201 CB ASP A 13 13.568 1.147 4.494 1.00 21.04 C ATOM 202 CG ASP A 13 13.651 -0.091 5.366 1.00 31.13 C ATOM 203 OD1 ASP A 13 14.610 -0.194 6.160 1.00 34.33 O ATOM 204 OD2 ASP A 13 12.757 -0.955 5.254 1.00 63.45 O ATOM 0 H ASP A 13 10.967 2.256 4.369 1.00 61.05 H new ATOM 0 HA ASP A 13 13.262 2.374 6.229 1.00 73.11 H new ATOM 0 HB2 ASP A 13 13.017 0.911 3.584 1.00 21.04 H new ATOM 0 HB3 ASP A 13 14.572 1.442 4.191 1.00 21.04 H new ATOM 210 N TYR A 14 12.642 4.719 4.974 1.00 4.12 N ATOM 211 CA TYR A 14 12.879 6.031 4.383 1.00 54.22 C ATOM 212 C TYR A 14 13.785 6.876 5.274 1.00 73.22 C ATOM 213 O TYR A 14 14.339 7.883 4.837 1.00 0.30 O ATOM 214 CB TYR A 14 11.552 6.756 4.152 1.00 11.32 C ATOM 215 CG TYR A 14 10.622 6.710 5.344 1.00 5.52 C ATOM 216 CD1 TYR A 14 10.965 7.324 6.542 1.00 2.45 C ATOM 217 CD2 TYR A 14 9.400 6.054 5.270 1.00 35.42 C ATOM 218 CE1 TYR A 14 10.119 7.285 7.634 1.00 41.14 C ATOM 219 CE2 TYR A 14 8.547 6.010 6.357 1.00 31.21 C ATOM 220 CZ TYR A 14 8.911 6.626 7.535 1.00 32.53 C ATOM 221 OH TYR A 14 8.065 6.585 8.620 1.00 12.42 O ATOM 0 H TYR A 14 12.001 4.723 5.768 1.00 4.12 H new ATOM 0 HA TYR A 14 13.378 5.885 3.425 1.00 54.22 H new ATOM 0 HB2 TYR A 14 11.755 7.797 3.900 1.00 11.32 H new ATOM 0 HB3 TYR A 14 11.050 6.312 3.292 1.00 11.32 H new ATOM 0 HD1 TYR A 14 11.910 7.841 6.621 1.00 2.45 H new ATOM 0 HD2 TYR A 14 9.112 5.570 4.348 1.00 35.42 H new ATOM 0 HE1 TYR A 14 10.401 7.767 8.558 1.00 41.14 H new ATOM 0 HE2 TYR A 14 7.600 5.496 6.284 1.00 31.21 H new ATOM 0 HH TYR A 14 8.537 6.910 9.415 1.00 12.42 H new ATOM 231 N ASN A 15 13.929 6.456 6.526 1.00 1.12 N ATOM 232 CA ASN A 15 14.767 7.172 7.481 1.00 32.14 C ATOM 233 C ASN A 15 16.218 7.207 7.012 1.00 41.43 C ATOM 234 O ASN A 15 16.818 6.166 6.740 1.00 20.53 O ATOM 235 CB ASN A 15 14.680 6.517 8.860 1.00 34.21 C ATOM 236 CG ASN A 15 14.090 7.445 9.906 1.00 52.10 C ATOM 237 OD1 ASN A 15 13.214 7.052 10.675 1.00 31.04 O ATOM 238 ND2 ASN A 15 14.570 8.682 9.935 1.00 21.45 N ATOM 0 H ASN A 15 13.476 5.623 6.903 1.00 1.12 H new ATOM 0 HA ASN A 15 14.401 8.197 7.550 1.00 32.14 H new ATOM 0 HB2 ASN A 15 14.071 5.616 8.793 1.00 34.21 H new ATOM 0 HB3 ASN A 15 15.676 6.206 9.175 1.00 34.21 H new ATOM 0 HD21 ASN A 15 14.212 9.352 10.616 1.00 21.45 H new ATOM 0 HD22 ASN A 15 15.297 8.963 9.277 1.00 21.45 H new ATOM 245 N SER A 16 16.776 8.410 6.921 1.00 43.54 N ATOM 246 CA SER A 16 18.157 8.580 6.482 1.00 12.21 C ATOM 247 C SER A 16 19.065 8.915 7.662 1.00 55.31 C ATOM 248 O SER A 16 18.756 9.796 8.466 1.00 63.14 O ATOM 249 CB SER A 16 18.245 9.683 5.425 1.00 70.32 C ATOM 250 OG SER A 16 19.148 9.328 4.393 1.00 43.31 O ATOM 0 H SER A 16 16.294 9.281 7.145 1.00 43.54 H new ATOM 0 HA SER A 16 18.493 7.640 6.044 1.00 12.21 H new ATOM 0 HB2 SER A 16 17.257 9.865 5.002 1.00 70.32 H new ATOM 0 HB3 SER A 16 18.568 10.613 5.892 1.00 70.32 H new ATOM 0 HG SER A 16 19.185 10.048 3.729 1.00 43.31 H new ATOM 256 N LEU A 17 20.184 8.206 7.757 1.00 23.25 N ATOM 257 CA LEU A 17 21.138 8.428 8.838 1.00 31.34 C ATOM 258 C LEU A 17 22.572 8.321 8.329 1.00 64.43 C ATOM 259 O LEU A 17 23.470 7.897 9.058 1.00 45.33 O ATOM 260 CB LEU A 17 20.907 7.418 9.964 1.00 4.30 C ATOM 261 CG LEU A 17 20.606 5.983 9.527 1.00 53.53 C ATOM 262 CD1 LEU A 17 21.825 5.360 8.865 1.00 64.02 C ATOM 263 CD2 LEU A 17 20.157 5.147 10.716 1.00 10.24 C ATOM 0 H LEU A 17 20.453 7.474 7.100 1.00 23.25 H new ATOM 0 HA LEU A 17 20.984 9.435 9.225 1.00 31.34 H new ATOM 0 HB2 LEU A 17 21.792 7.405 10.600 1.00 4.30 H new ATOM 0 HB3 LEU A 17 20.078 7.771 10.578 1.00 4.30 H new ATOM 0 HG LEU A 17 19.795 6.008 8.799 1.00 53.53 H new ATOM 0 HD11 LEU A 17 21.592 4.340 8.561 1.00 64.02 H new ATOM 0 HD12 LEU A 17 22.102 5.946 7.988 1.00 64.02 H new ATOM 0 HD13 LEU A 17 22.656 5.348 9.571 1.00 64.02 H new ATOM 0 HD21 LEU A 17 19.947 4.129 10.387 1.00 10.24 H new ATOM 0 HD22 LEU A 17 20.946 5.130 11.467 1.00 10.24 H new ATOM 0 HD23 LEU A 17 19.255 5.582 11.147 1.00 10.24 H new ATOM 275 N LYS A 18 22.780 8.707 7.076 1.00 33.43 N ATOM 276 CA LYS A 18 24.104 8.659 6.469 1.00 62.24 C ATOM 277 C LYS A 18 24.417 9.960 5.736 1.00 13.04 C ATOM 278 O LYS A 18 23.510 10.697 5.347 1.00 43.32 O ATOM 279 CB LYS A 18 24.200 7.479 5.498 1.00 1.43 C ATOM 280 CG LYS A 18 23.000 7.354 4.574 1.00 64.11 C ATOM 281 CD LYS A 18 23.427 7.072 3.143 1.00 34.42 C ATOM 282 CE LYS A 18 22.394 6.231 2.409 1.00 14.14 C ATOM 283 NZ LYS A 18 22.960 5.595 1.187 1.00 4.44 N ATOM 0 H LYS A 18 22.047 9.057 6.459 1.00 33.43 H new ATOM 0 HA LYS A 18 24.836 8.528 7.266 1.00 62.24 H new ATOM 0 HB2 LYS A 18 25.102 7.587 4.896 1.00 1.43 H new ATOM 0 HB3 LYS A 18 24.306 6.557 6.069 1.00 1.43 H new ATOM 0 HG2 LYS A 18 22.350 6.553 4.926 1.00 64.11 H new ATOM 0 HG3 LYS A 18 22.417 8.274 4.606 1.00 64.11 H new ATOM 0 HD2 LYS A 18 23.574 8.013 2.614 1.00 34.42 H new ATOM 0 HD3 LYS A 18 24.386 6.554 3.144 1.00 34.42 H new ATOM 0 HE2 LYS A 18 22.014 5.458 3.077 1.00 14.14 H new ATOM 0 HE3 LYS A 18 21.546 6.858 2.132 1.00 14.14 H new ATOM 0 HZ1 LYS A 18 22.224 5.031 0.716 1.00 4.44 H new ATOM 0 HZ2 LYS A 18 23.299 6.333 0.537 1.00 4.44 H new ATOM 0 HZ3 LYS A 18 23.753 4.977 1.453 1.00 4.44 H new ATOM 297 N LYS A 19 25.703 10.236 5.553 1.00 60.22 N ATOM 298 CA LYS A 19 26.135 11.447 4.865 1.00 24.02 C ATOM 299 C LYS A 19 25.646 11.457 3.420 1.00 61.42 C ATOM 300 O LYS A 19 25.111 12.456 2.942 1.00 4.43 O ATOM 301 CB LYS A 19 27.661 11.560 4.898 1.00 2.42 C ATOM 302 CG LYS A 19 28.218 11.877 6.276 1.00 14.14 C ATOM 303 CD LYS A 19 29.493 11.101 6.554 1.00 5.54 C ATOM 304 CE LYS A 19 29.200 9.644 6.879 1.00 55.21 C ATOM 305 NZ LYS A 19 30.448 8.864 7.103 1.00 42.31 N ATOM 0 H LYS A 19 26.465 9.637 5.872 1.00 60.22 H new ATOM 0 HA LYS A 19 25.701 12.303 5.383 1.00 24.02 H new ATOM 0 HB2 LYS A 19 28.094 10.623 4.547 1.00 2.42 H new ATOM 0 HB3 LYS A 19 27.975 12.337 4.201 1.00 2.42 H new ATOM 0 HG2 LYS A 19 28.418 12.946 6.352 1.00 14.14 H new ATOM 0 HG3 LYS A 19 27.473 11.638 7.035 1.00 14.14 H new ATOM 0 HD2 LYS A 19 30.150 11.156 5.686 1.00 5.54 H new ATOM 0 HD3 LYS A 19 30.026 11.561 7.387 1.00 5.54 H new ATOM 0 HE2 LYS A 19 28.573 9.589 7.769 1.00 55.21 H new ATOM 0 HE3 LYS A 19 28.634 9.196 6.062 1.00 55.21 H new ATOM 0 HZ1 LYS A 19 30.206 7.877 7.322 1.00 42.31 H new ATOM 0 HZ2 LYS A 19 31.035 8.895 6.245 1.00 42.31 H new ATOM 0 HZ3 LYS A 19 30.976 9.275 7.899 1.00 42.31 H new ATOM 319 N GLY A 20 25.829 10.336 2.730 1.00 70.24 N ATOM 320 CA GLY A 20 25.400 10.236 1.348 1.00 70.04 C ATOM 321 C GLY A 20 26.177 11.161 0.431 1.00 10.44 C ATOM 322 O GLY A 20 27.265 11.617 0.777 1.00 4.03 O ATOM 0 H GLY A 20 26.267 9.494 3.104 1.00 70.24 H new ATOM 0 HA2 GLY A 20 25.519 9.207 1.007 1.00 70.04 H new ATOM 0 HA3 GLY A 20 24.338 10.472 1.282 1.00 70.04 H new ATOM 326 N SER A 21 25.616 11.436 -0.742 1.00 22.23 N ATOM 327 CA SER A 21 26.266 12.308 -1.714 1.00 11.03 C ATOM 328 C SER A 21 25.307 12.673 -2.844 1.00 32.15 C ATOM 329 O SER A 21 24.809 13.797 -2.912 1.00 43.34 O ATOM 330 CB SER A 21 27.512 11.631 -2.287 1.00 33.44 C ATOM 331 OG SER A 21 27.376 10.220 -2.272 1.00 45.40 O ATOM 0 H SER A 21 24.713 11.068 -1.042 1.00 22.23 H new ATOM 0 HA SER A 21 26.562 13.223 -1.202 1.00 11.03 H new ATOM 0 HB2 SER A 21 27.679 11.973 -3.308 1.00 33.44 H new ATOM 0 HB3 SER A 21 28.388 11.922 -1.707 1.00 33.44 H new ATOM 0 HG SER A 21 28.184 9.809 -2.644 1.00 45.40 H new ATOM 337 N LEU A 22 25.051 11.714 -3.726 1.00 43.21 N ATOM 338 CA LEU A 22 24.153 11.932 -4.854 1.00 74.21 C ATOM 339 C LEU A 22 24.693 13.016 -5.781 1.00 30.44 C ATOM 340 O LEU A 22 25.630 13.734 -5.432 1.00 31.34 O ATOM 341 CB LEU A 22 22.760 12.322 -4.353 1.00 41.22 C ATOM 342 CG LEU A 22 21.673 11.256 -4.494 1.00 22.12 C ATOM 343 CD1 LEU A 22 20.695 11.334 -3.333 1.00 4.13 C ATOM 344 CD2 LEU A 22 20.944 11.410 -5.820 1.00 33.02 C ATOM 0 H LEU A 22 25.453 10.777 -3.682 1.00 43.21 H new ATOM 0 HA LEU A 22 24.085 11.001 -5.417 1.00 74.21 H new ATOM 0 HB2 LEU A 22 22.838 12.596 -3.301 1.00 41.22 H new ATOM 0 HB3 LEU A 22 22.439 13.213 -4.892 1.00 41.22 H new ATOM 0 HG LEU A 22 22.148 10.275 -4.476 1.00 22.12 H new ATOM 0 HD11 LEU A 22 19.929 10.568 -3.451 1.00 4.13 H new ATOM 0 HD12 LEU A 22 21.229 11.173 -2.396 1.00 4.13 H new ATOM 0 HD13 LEU A 22 20.225 12.318 -3.318 1.00 4.13 H new ATOM 0 HD21 LEU A 22 20.174 10.643 -5.903 1.00 33.02 H new ATOM 0 HD22 LEU A 22 20.481 12.396 -5.868 1.00 33.02 H new ATOM 0 HD23 LEU A 22 21.654 11.302 -6.640 1.00 33.02 H new ATOM 356 N VAL A 23 24.097 13.128 -6.963 1.00 33.42 N ATOM 357 CA VAL A 23 24.517 14.127 -7.939 1.00 53.04 C ATOM 358 C VAL A 23 23.365 15.058 -8.303 1.00 22.12 C ATOM 359 O VAL A 23 23.568 16.246 -8.551 1.00 24.04 O ATOM 360 CB VAL A 23 25.052 13.465 -9.223 1.00 10.54 C ATOM 361 CG1 VAL A 23 24.010 12.531 -9.818 1.00 2.30 C ATOM 362 CG2 VAL A 23 25.471 14.524 -10.232 1.00 12.32 C ATOM 0 H VAL A 23 23.322 12.540 -7.268 1.00 33.42 H new ATOM 0 HA VAL A 23 25.316 14.706 -7.476 1.00 53.04 H new ATOM 0 HB VAL A 23 25.930 12.872 -8.967 1.00 10.54 H new ATOM 0 HG11 VAL A 23 24.407 12.073 -10.724 1.00 2.30 H new ATOM 0 HG12 VAL A 23 23.764 11.752 -9.096 1.00 2.30 H new ATOM 0 HG13 VAL A 23 23.111 13.097 -10.061 1.00 2.30 H new ATOM 0 HG21 VAL A 23 25.847 14.039 -11.133 1.00 12.32 H new ATOM 0 HG22 VAL A 23 24.612 15.145 -10.485 1.00 12.32 H new ATOM 0 HG23 VAL A 23 26.255 15.147 -9.801 1.00 12.32 H new ATOM 372 N LYS A 24 22.155 14.510 -8.332 1.00 3.44 N ATOM 373 CA LYS A 24 20.969 15.291 -8.663 1.00 62.30 C ATOM 374 C LYS A 24 19.713 14.429 -8.591 1.00 12.13 C ATOM 375 O LYS A 24 18.865 14.623 -7.720 1.00 65.14 O ATOM 376 CB LYS A 24 21.107 15.896 -10.062 1.00 54.12 C ATOM 377 CG LYS A 24 21.338 17.396 -10.057 1.00 2.15 C ATOM 378 CD LYS A 24 20.039 18.162 -10.248 1.00 34.51 C ATOM 379 CE LYS A 24 19.843 19.207 -9.160 1.00 74.31 C ATOM 380 NZ LYS A 24 20.508 20.494 -9.499 1.00 42.11 N ATOM 0 H LYS A 24 21.970 13.527 -8.130 1.00 3.44 H new ATOM 0 HA LYS A 24 20.878 16.096 -7.933 1.00 62.30 H new ATOM 0 HB2 LYS A 24 21.936 15.411 -10.578 1.00 54.12 H new ATOM 0 HB3 LYS A 24 20.205 15.678 -10.633 1.00 54.12 H new ATOM 0 HG2 LYS A 24 21.800 17.691 -9.115 1.00 2.15 H new ATOM 0 HG3 LYS A 24 22.037 17.660 -10.851 1.00 2.15 H new ATOM 0 HD2 LYS A 24 20.042 18.647 -11.224 1.00 34.51 H new ATOM 0 HD3 LYS A 24 19.200 17.466 -10.241 1.00 34.51 H new ATOM 0 HE2 LYS A 24 18.777 19.378 -9.009 1.00 74.31 H new ATOM 0 HE3 LYS A 24 20.242 18.830 -8.218 1.00 74.31 H new ATOM 0 HZ1 LYS A 24 20.350 21.179 -8.732 1.00 42.11 H new ATOM 0 HZ2 LYS A 24 21.529 20.336 -9.618 1.00 42.11 H new ATOM 0 HZ3 LYS A 24 20.110 20.868 -10.384 1.00 42.11 H new ATOM 394 N ASN A 25 19.600 13.477 -9.511 1.00 43.03 N ATOM 395 CA ASN A 25 18.447 12.586 -9.551 1.00 53.13 C ATOM 396 C ASN A 25 18.577 11.578 -10.689 1.00 60.11 C ATOM 397 O ASN A 25 19.617 11.494 -11.343 1.00 41.32 O ATOM 398 CB ASN A 25 17.157 13.392 -9.714 1.00 61.15 C ATOM 399 CG ASN A 25 16.037 12.878 -8.829 1.00 23.05 C ATOM 400 OD1 ASN A 25 15.507 11.790 -9.049 1.00 52.45 O ATOM 401 ND2 ASN A 25 15.674 13.662 -7.822 1.00 2.12 N ATOM 0 H ASN A 25 20.293 13.303 -10.239 1.00 43.03 H new ATOM 0 HA ASN A 25 18.409 12.040 -8.608 1.00 53.13 H new ATOM 0 HB2 ASN A 25 17.353 14.438 -9.477 1.00 61.15 H new ATOM 0 HB3 ASN A 25 16.839 13.356 -10.756 1.00 61.15 H new ATOM 0 HD21 ASN A 25 14.927 13.370 -7.192 1.00 2.12 H new ATOM 0 HD22 ASN A 25 16.142 14.557 -7.678 1.00 2.12 H new ATOM 408 N LEU A 26 17.515 10.814 -10.921 1.00 72.10 N ATOM 409 CA LEU A 26 17.510 9.812 -11.980 1.00 74.25 C ATOM 410 C LEU A 26 17.003 10.406 -13.289 1.00 53.10 C ATOM 411 O LEU A 26 16.583 11.565 -13.337 1.00 61.41 O ATOM 412 CB LEU A 26 16.639 8.621 -11.577 1.00 32.54 C ATOM 413 CG LEU A 26 17.374 7.430 -10.961 1.00 3.32 C ATOM 414 CD1 LEU A 26 16.401 6.528 -10.218 1.00 52.34 C ATOM 415 CD2 LEU A 26 18.117 6.648 -12.035 1.00 31.05 C ATOM 0 H LEU A 26 16.646 10.870 -10.389 1.00 72.10 H new ATOM 0 HA LEU A 26 18.535 9.472 -12.129 1.00 74.25 H new ATOM 0 HB2 LEU A 26 15.891 8.968 -10.865 1.00 32.54 H new ATOM 0 HB3 LEU A 26 16.102 8.274 -12.460 1.00 32.54 H new ATOM 0 HG LEU A 26 18.104 7.809 -10.246 1.00 3.32 H new ATOM 0 HD11 LEU A 26 16.942 5.686 -9.787 1.00 52.34 H new ATOM 0 HD12 LEU A 26 15.916 7.093 -9.422 1.00 52.34 H new ATOM 0 HD13 LEU A 26 15.647 6.157 -10.912 1.00 52.34 H new ATOM 0 HD21 LEU A 26 18.634 5.804 -11.578 1.00 31.05 H new ATOM 0 HD22 LEU A 26 17.406 6.281 -12.775 1.00 31.05 H new ATOM 0 HD23 LEU A 26 18.844 7.299 -12.522 1.00 31.05 H new ATOM 427 N HIS A 27 17.041 9.607 -14.352 1.00 14.54 N ATOM 428 CA HIS A 27 16.583 10.054 -15.661 1.00 11.23 C ATOM 429 C HIS A 27 15.456 9.163 -16.176 1.00 22.54 C ATOM 430 O HIS A 27 15.494 8.690 -17.312 1.00 5.21 O ATOM 431 CB HIS A 27 17.742 10.055 -16.658 1.00 2.03 C ATOM 432 CG HIS A 27 18.427 8.729 -16.782 1.00 34.02 C ATOM 433 ND1 HIS A 27 19.398 8.298 -15.904 1.00 73.35 N ATOM 434 CD2 HIS A 27 18.273 7.735 -17.690 1.00 4.44 C ATOM 435 CE1 HIS A 27 19.814 7.096 -16.265 1.00 15.45 C ATOM 436 NE2 HIS A 27 19.146 6.732 -17.346 1.00 3.30 N ATOM 0 H HIS A 27 17.385 8.647 -14.331 1.00 14.54 H new ATOM 0 HA HIS A 27 16.202 11.070 -15.557 1.00 11.23 H new ATOM 0 HB2 HIS A 27 17.368 10.354 -17.637 1.00 2.03 H new ATOM 0 HB3 HIS A 27 18.472 10.805 -16.353 1.00 2.03 H new ATOM 0 HD2 HIS A 27 17.591 7.732 -18.528 1.00 4.44 H new ATOM 0 HE1 HIS A 27 20.570 6.511 -15.762 1.00 15.45 H new ATOM 0 HE2 HIS A 27 19.260 5.849 -17.844 1.00 3.30 H new ATOM 445 N MET A 28 14.454 8.939 -15.333 1.00 71.02 N ATOM 446 CA MET A 28 13.316 8.104 -15.703 1.00 13.21 C ATOM 447 C MET A 28 12.000 8.792 -15.350 1.00 25.10 C ATOM 448 O MET A 28 11.749 9.117 -14.189 1.00 62.01 O ATOM 449 CB MET A 28 13.401 6.749 -15.000 1.00 31.50 C ATOM 450 CG MET A 28 14.669 5.976 -15.320 1.00 52.35 C ATOM 451 SD MET A 28 14.359 4.225 -15.619 1.00 74.02 S ATOM 452 CE MET A 28 15.121 4.015 -17.226 1.00 50.13 C ATOM 0 H MET A 28 14.406 9.323 -14.389 1.00 71.02 H new ATOM 0 HA MET A 28 13.346 7.948 -16.781 1.00 13.21 H new ATOM 0 HB2 MET A 28 13.342 6.904 -13.923 1.00 31.50 H new ATOM 0 HB3 MET A 28 12.537 6.147 -15.283 1.00 31.50 H new ATOM 0 HG2 MET A 28 15.144 6.412 -16.199 1.00 52.35 H new ATOM 0 HG3 MET A 28 15.372 6.081 -14.493 1.00 52.35 H new ATOM 0 HE1 MET A 28 15.012 2.979 -17.548 1.00 50.13 H new ATOM 0 HE2 MET A 28 14.636 4.673 -17.947 1.00 50.13 H new ATOM 0 HE3 MET A 28 16.180 4.265 -17.162 1.00 50.13 H new ATOM 462 N THR A 29 11.164 9.013 -16.360 1.00 63.43 N ATOM 463 CA THR A 29 9.875 9.662 -16.157 1.00 24.41 C ATOM 464 C THR A 29 8.762 8.912 -16.878 1.00 21.35 C ATOM 465 O THR A 29 8.987 8.302 -17.922 1.00 53.34 O ATOM 466 CB THR A 29 9.899 11.121 -16.650 1.00 33.53 C ATOM 467 OG1 THR A 29 10.097 11.156 -18.067 1.00 2.52 O ATOM 468 CG2 THR A 29 11.002 11.908 -15.958 1.00 63.30 C ATOM 0 H THR A 29 11.357 8.752 -17.327 1.00 63.43 H new ATOM 0 HA THR A 29 9.680 9.651 -15.085 1.00 24.41 H new ATOM 0 HB THR A 29 8.941 11.580 -16.407 1.00 33.53 H new ATOM 0 HG1 THR A 29 10.109 12.087 -18.373 1.00 2.52 H new ATOM 0 HG21 THR A 29 10.999 12.935 -16.322 1.00 63.30 H new ATOM 0 HG22 THR A 29 10.831 11.904 -14.881 1.00 63.30 H new ATOM 0 HG23 THR A 29 11.967 11.449 -16.174 1.00 63.30 H new ATOM 476 N GLU A 30 7.559 8.961 -16.313 1.00 25.14 N ATOM 477 CA GLU A 30 6.411 8.285 -16.904 1.00 74.40 C ATOM 478 C GLU A 30 5.111 8.983 -16.515 1.00 34.11 C ATOM 479 O GLU A 30 5.124 10.090 -15.978 1.00 73.33 O ATOM 480 CB GLU A 30 6.368 6.821 -16.460 1.00 61.10 C ATOM 481 CG GLU A 30 6.084 5.850 -17.594 1.00 75.03 C ATOM 482 CD GLU A 30 6.731 4.496 -17.379 1.00 1.34 C ATOM 483 OE1 GLU A 30 7.089 4.185 -16.223 1.00 22.14 O ATOM 484 OE2 GLU A 30 6.882 3.746 -18.366 1.00 54.43 O ATOM 0 H GLU A 30 7.355 9.461 -15.448 1.00 25.14 H new ATOM 0 HA GLU A 30 6.516 8.325 -17.988 1.00 74.40 H new ATOM 0 HB2 GLU A 30 7.322 6.561 -16.000 1.00 61.10 H new ATOM 0 HB3 GLU A 30 5.602 6.705 -15.693 1.00 61.10 H new ATOM 0 HG2 GLU A 30 5.006 5.721 -17.696 1.00 75.03 H new ATOM 0 HG3 GLU A 30 6.444 6.276 -18.531 1.00 75.03 H new ATOM 491 N GLU A 31 3.987 8.327 -16.792 1.00 64.15 N ATOM 492 CA GLU A 31 2.679 8.884 -16.474 1.00 33.21 C ATOM 493 C GLU A 31 1.802 7.850 -15.774 1.00 34.10 C ATOM 494 O GLU A 31 0.831 7.352 -16.344 1.00 2.24 O ATOM 495 CB GLU A 31 1.986 9.378 -17.746 1.00 24.11 C ATOM 496 CG GLU A 31 2.886 10.205 -18.647 1.00 41.34 C ATOM 497 CD GLU A 31 2.127 11.274 -19.408 1.00 11.33 C ATOM 498 OE1 GLU A 31 1.800 12.315 -18.800 1.00 61.23 O ATOM 499 OE2 GLU A 31 1.859 11.071 -20.610 1.00 33.31 O ATOM 0 H GLU A 31 3.958 7.409 -17.236 1.00 64.15 H new ATOM 0 HA GLU A 31 2.827 9.727 -15.799 1.00 33.21 H new ATOM 0 HB2 GLU A 31 1.617 8.519 -18.306 1.00 24.11 H new ATOM 0 HB3 GLU A 31 1.117 9.975 -17.468 1.00 24.11 H new ATOM 0 HG2 GLU A 31 3.663 10.676 -18.045 1.00 41.34 H new ATOM 0 HG3 GLU A 31 3.388 9.547 -19.356 1.00 41.34 H new ATOM 506 N VAL A 32 2.153 7.529 -14.531 1.00 53.11 N ATOM 507 CA VAL A 32 1.399 6.555 -13.752 1.00 45.02 C ATOM 508 C VAL A 32 0.633 7.230 -12.621 1.00 33.13 C ATOM 509 O VAL A 32 1.021 8.297 -12.144 1.00 42.15 O ATOM 510 CB VAL A 32 2.324 5.476 -13.157 1.00 60.23 C ATOM 511 CG1 VAL A 32 1.506 4.335 -12.571 1.00 71.02 C ATOM 512 CG2 VAL A 32 3.291 4.963 -14.213 1.00 41.54 C ATOM 0 H VAL A 32 2.954 7.930 -14.044 1.00 53.11 H new ATOM 0 HA VAL A 32 0.692 6.083 -14.434 1.00 45.02 H new ATOM 0 HB VAL A 32 2.906 5.924 -12.352 1.00 60.23 H new ATOM 0 HG11 VAL A 32 2.176 3.583 -12.156 1.00 71.02 H new ATOM 0 HG12 VAL A 32 0.858 4.719 -11.783 1.00 71.02 H new ATOM 0 HG13 VAL A 32 0.896 3.885 -13.354 1.00 71.02 H new ATOM 0 HG21 VAL A 32 3.937 4.202 -13.776 1.00 41.54 H new ATOM 0 HG22 VAL A 32 2.730 4.531 -15.041 1.00 41.54 H new ATOM 0 HG23 VAL A 32 3.901 5.789 -14.580 1.00 41.54 H new ATOM 522 N ILE A 33 -0.459 6.602 -12.196 1.00 20.14 N ATOM 523 CA ILE A 33 -1.280 7.143 -11.120 1.00 31.43 C ATOM 524 C ILE A 33 -1.745 6.039 -10.176 1.00 72.41 C ATOM 525 O ILE A 33 -2.193 4.980 -10.615 1.00 45.14 O ATOM 526 CB ILE A 33 -2.511 7.886 -11.670 1.00 15.11 C ATOM 527 CG1 ILE A 33 -2.084 9.169 -12.384 1.00 32.21 C ATOM 528 CG2 ILE A 33 -3.486 8.200 -10.544 1.00 53.23 C ATOM 529 CD1 ILE A 33 -3.227 9.898 -13.053 1.00 1.20 C ATOM 0 H ILE A 33 -0.795 5.719 -12.580 1.00 20.14 H new ATOM 0 HA ILE A 33 -0.656 7.849 -10.571 1.00 31.43 H new ATOM 0 HB ILE A 33 -3.013 7.242 -12.392 1.00 15.11 H new ATOM 0 HG12 ILE A 33 -1.611 9.836 -11.663 1.00 32.21 H new ATOM 0 HG13 ILE A 33 -1.331 8.925 -13.134 1.00 32.21 H new ATOM 0 HG21 ILE A 33 -4.351 8.725 -10.948 1.00 53.23 H new ATOM 0 HG22 ILE A 33 -3.812 7.271 -10.075 1.00 53.23 H new ATOM 0 HG23 ILE A 33 -2.994 8.828 -9.801 1.00 53.23 H new ATOM 0 HD11 ILE A 33 -2.850 10.798 -13.539 1.00 1.20 H new ATOM 0 HD12 ILE A 33 -3.686 9.248 -13.798 1.00 1.20 H new ATOM 0 HD13 ILE A 33 -3.970 10.174 -12.305 1.00 1.20 H new ATOM 541 N VAL A 34 -1.639 6.295 -8.876 1.00 14.11 N ATOM 542 CA VAL A 34 -2.052 5.325 -7.869 1.00 25.42 C ATOM 543 C VAL A 34 -3.313 5.785 -7.148 1.00 33.43 C ATOM 544 O VAL A 34 -3.790 6.900 -7.359 1.00 23.44 O ATOM 545 CB VAL A 34 -0.939 5.084 -6.832 1.00 50.21 C ATOM 546 CG1 VAL A 34 -1.073 6.054 -5.669 1.00 32.12 C ATOM 547 CG2 VAL A 34 -0.971 3.645 -6.342 1.00 55.03 C ATOM 0 H VAL A 34 -1.270 7.167 -8.495 1.00 14.11 H new ATOM 0 HA VAL A 34 -2.257 4.392 -8.394 1.00 25.42 H new ATOM 0 HB VAL A 34 0.024 5.260 -7.311 1.00 50.21 H new ATOM 0 HG11 VAL A 34 -0.278 5.868 -4.947 1.00 32.12 H new ATOM 0 HG12 VAL A 34 -0.997 7.077 -6.038 1.00 32.12 H new ATOM 0 HG13 VAL A 34 -2.041 5.913 -5.187 1.00 32.12 H new ATOM 0 HG21 VAL A 34 -0.178 3.492 -5.610 1.00 55.03 H new ATOM 0 HG22 VAL A 34 -1.936 3.440 -5.879 1.00 55.03 H new ATOM 0 HG23 VAL A 34 -0.822 2.970 -7.185 1.00 55.03 H new ATOM 557 N ILE A 35 -3.850 4.918 -6.295 1.00 60.32 N ATOM 558 CA ILE A 35 -5.055 5.237 -5.539 1.00 24.12 C ATOM 559 C ILE A 35 -4.946 4.748 -4.099 1.00 51.20 C ATOM 560 O ILE A 35 -4.676 3.574 -3.848 1.00 2.43 O ATOM 561 CB ILE A 35 -6.306 4.613 -6.187 1.00 4.54 C ATOM 562 CG1 ILE A 35 -6.471 5.123 -7.621 1.00 71.45 C ATOM 563 CG2 ILE A 35 -7.542 4.931 -5.361 1.00 35.54 C ATOM 564 CD1 ILE A 35 -7.693 4.570 -8.321 1.00 45.33 C ATOM 0 H ILE A 35 -3.470 3.990 -6.111 1.00 60.32 H new ATOM 0 HA ILE A 35 -5.154 6.322 -5.545 1.00 24.12 H new ATOM 0 HB ILE A 35 -6.182 3.531 -6.218 1.00 4.54 H new ATOM 0 HG12 ILE A 35 -6.532 6.211 -7.607 1.00 71.45 H new ATOM 0 HG13 ILE A 35 -5.583 4.861 -8.196 1.00 71.45 H new ATOM 0 HG21 ILE A 35 -8.418 4.484 -5.831 1.00 35.54 H new ATOM 0 HG22 ILE A 35 -7.422 4.526 -4.356 1.00 35.54 H new ATOM 0 HG23 ILE A 35 -7.673 6.012 -5.303 1.00 35.54 H new ATOM 0 HD11 ILE A 35 -7.747 4.974 -9.332 1.00 45.33 H new ATOM 0 HD12 ILE A 35 -7.625 3.483 -8.367 1.00 45.33 H new ATOM 0 HD13 ILE A 35 -8.589 4.854 -7.769 1.00 45.33 H new ATOM 576 N ALA A 36 -5.160 5.659 -3.154 1.00 73.22 N ATOM 577 CA ALA A 36 -5.090 5.321 -1.738 1.00 73.41 C ATOM 578 C ALA A 36 -6.313 4.521 -1.303 1.00 35.20 C ATOM 579 O ALA A 36 -7.435 5.032 -1.300 1.00 40.03 O ATOM 580 CB ALA A 36 -4.958 6.584 -0.900 1.00 31.51 C ATOM 0 H ALA A 36 -5.383 6.636 -3.344 1.00 73.22 H new ATOM 0 HA ALA A 36 -4.208 4.700 -1.581 1.00 73.41 H new ATOM 0 HB1 ALA A 36 -4.907 6.317 0.155 1.00 31.51 H new ATOM 0 HB2 ALA A 36 -4.050 7.116 -1.184 1.00 31.51 H new ATOM 0 HB3 ALA A 36 -5.823 7.226 -1.070 1.00 31.51 H new ATOM 586 N LYS A 37 -6.093 3.263 -0.937 1.00 64.43 N ATOM 587 CA LYS A 37 -7.177 2.390 -0.500 1.00 22.41 C ATOM 588 C LYS A 37 -7.877 2.968 0.727 1.00 72.12 C ATOM 589 O LYS A 37 -9.080 2.783 0.910 1.00 72.02 O ATOM 590 CB LYS A 37 -6.640 0.993 -0.184 1.00 53.22 C ATOM 591 CG LYS A 37 -6.208 0.214 -1.416 1.00 20.45 C ATOM 592 CD LYS A 37 -5.986 -1.254 -1.096 1.00 44.03 C ATOM 593 CE LYS A 37 -7.297 -1.966 -0.803 1.00 60.00 C ATOM 594 NZ LYS A 37 -7.740 -2.806 -1.951 1.00 20.02 N ATOM 0 H LYS A 37 -5.172 2.824 -0.934 1.00 64.43 H new ATOM 0 HA LYS A 37 -7.902 2.317 -1.311 1.00 22.41 H new ATOM 0 HB2 LYS A 37 -5.791 1.084 0.494 1.00 53.22 H new ATOM 0 HB3 LYS A 37 -7.409 0.428 0.342 1.00 53.22 H new ATOM 0 HG2 LYS A 37 -6.968 0.308 -2.192 1.00 20.45 H new ATOM 0 HG3 LYS A 37 -5.289 0.643 -1.816 1.00 20.45 H new ATOM 0 HD2 LYS A 37 -5.487 -1.739 -1.935 1.00 44.03 H new ATOM 0 HD3 LYS A 37 -5.322 -1.343 -0.236 1.00 44.03 H new ATOM 0 HE2 LYS A 37 -7.181 -2.592 0.082 1.00 60.00 H new ATOM 0 HE3 LYS A 37 -8.067 -1.230 -0.573 1.00 60.00 H new ATOM 0 HZ1 LYS A 37 -8.637 -3.275 -1.712 1.00 20.02 H new ATOM 0 HZ2 LYS A 37 -7.876 -2.205 -2.789 1.00 20.02 H new ATOM 0 HZ3 LYS A 37 -7.017 -3.525 -2.154 1.00 20.02 H new ATOM 608 N TRP A 38 -7.117 3.666 1.562 1.00 13.34 N ATOM 609 CA TRP A 38 -7.667 4.270 2.770 1.00 23.04 C ATOM 610 C TRP A 38 -6.929 5.559 3.119 1.00 21.21 C ATOM 611 O TRP A 38 -5.972 5.937 2.444 1.00 22.54 O ATOM 612 CB TRP A 38 -7.581 3.288 3.941 1.00 2.11 C ATOM 613 CG TRP A 38 -7.148 1.913 3.532 1.00 52.14 C ATOM 614 CD1 TRP A 38 -5.872 1.430 3.502 1.00 62.21 C ATOM 615 CD2 TRP A 38 -7.993 0.843 3.091 1.00 3.42 C ATOM 616 NE1 TRP A 38 -5.871 0.126 3.071 1.00 51.04 N ATOM 617 CE2 TRP A 38 -7.161 -0.257 2.812 1.00 60.22 C ATOM 618 CE3 TRP A 38 -9.372 0.709 2.907 1.00 3.40 C ATOM 619 CZ2 TRP A 38 -7.664 -1.474 2.359 1.00 24.43 C ATOM 620 CZ3 TRP A 38 -9.869 -0.498 2.457 1.00 53.11 C ATOM 621 CH2 TRP A 38 -9.017 -1.578 2.188 1.00 14.40 C ATOM 0 H TRP A 38 -6.119 3.828 1.425 1.00 13.34 H new ATOM 0 HA TRP A 38 -8.713 4.511 2.581 1.00 23.04 H new ATOM 0 HB2 TRP A 38 -6.881 3.676 4.681 1.00 2.11 H new ATOM 0 HB3 TRP A 38 -8.555 3.225 4.426 1.00 2.11 H new ATOM 0 HD1 TRP A 38 -4.991 1.991 3.777 1.00 62.21 H new ATOM 0 HE1 TRP A 38 -5.045 -0.462 2.962 1.00 51.04 H new ATOM 0 HE3 TRP A 38 -10.037 1.535 3.113 1.00 3.40 H new ATOM 0 HZ2 TRP A 38 -7.009 -2.307 2.150 1.00 24.43 H new ATOM 0 HZ3 TRP A 38 -10.933 -0.612 2.310 1.00 53.11 H new ATOM 0 HH2 TRP A 38 -9.437 -2.510 1.839 1.00 14.40 H new ATOM 632 N ASP A 39 -7.381 6.227 4.174 1.00 15.03 N ATOM 633 CA ASP A 39 -6.763 7.474 4.611 1.00 54.21 C ATOM 634 C ASP A 39 -5.651 7.204 5.620 1.00 45.23 C ATOM 635 O ASP A 39 -5.825 6.425 6.557 1.00 11.10 O ATOM 636 CB ASP A 39 -7.812 8.400 5.226 1.00 53.13 C ATOM 637 CG ASP A 39 -8.726 7.677 6.196 1.00 73.52 C ATOM 638 OD1 ASP A 39 -9.544 6.851 5.738 1.00 24.23 O ATOM 639 OD2 ASP A 39 -8.622 7.935 7.414 1.00 33.24 O ATOM 0 H ASP A 39 -8.173 5.927 4.743 1.00 15.03 H new ATOM 0 HA ASP A 39 -6.328 7.961 3.738 1.00 54.21 H new ATOM 0 HB2 ASP A 39 -7.311 9.218 5.744 1.00 53.13 H new ATOM 0 HB3 ASP A 39 -8.410 8.845 4.431 1.00 53.13 H new ATOM 645 N TYR A 40 -4.508 7.851 5.420 1.00 15.14 N ATOM 646 CA TYR A 40 -3.367 7.678 6.310 1.00 3.45 C ATOM 647 C TYR A 40 -2.877 9.026 6.836 1.00 63.45 C ATOM 648 O TYR A 40 -3.022 10.054 6.175 1.00 55.20 O ATOM 649 CB TYR A 40 -2.230 6.959 5.582 1.00 31.25 C ATOM 650 CG TYR A 40 -1.409 6.061 6.480 1.00 53.13 C ATOM 651 CD1 TYR A 40 -2.018 5.094 7.271 1.00 45.02 C ATOM 652 CD2 TYR A 40 -0.026 6.177 6.535 1.00 4.44 C ATOM 653 CE1 TYR A 40 -1.272 4.271 8.093 1.00 11.14 C ATOM 654 CE2 TYR A 40 0.728 5.359 7.353 1.00 62.43 C ATOM 655 CZ TYR A 40 0.100 4.407 8.130 1.00 10.31 C ATOM 656 OH TYR A 40 0.846 3.589 8.947 1.00 4.41 O ATOM 0 H TYR A 40 -4.348 8.500 4.649 1.00 15.14 H new ATOM 0 HA TYR A 40 -3.688 7.072 7.157 1.00 3.45 H new ATOM 0 HB2 TYR A 40 -2.648 6.363 4.771 1.00 31.25 H new ATOM 0 HB3 TYR A 40 -1.574 7.701 5.127 1.00 31.25 H new ATOM 0 HD1 TYR A 40 -3.092 4.984 7.243 1.00 45.02 H new ATOM 0 HD2 TYR A 40 0.468 6.920 5.927 1.00 4.44 H new ATOM 0 HE1 TYR A 40 -1.761 3.526 8.703 1.00 11.14 H new ATOM 0 HE2 TYR A 40 1.802 5.464 7.384 1.00 62.43 H new ATOM 0 HH TYR A 40 0.394 2.725 9.046 1.00 4.41 H new ATOM 666 N THR A 41 -2.294 9.011 8.031 1.00 42.25 N ATOM 667 CA THR A 41 -1.784 10.229 8.646 1.00 61.42 C ATOM 668 C THR A 41 -0.263 10.290 8.564 1.00 44.33 C ATOM 669 O THR A 41 0.428 9.344 8.944 1.00 0.50 O ATOM 670 CB THR A 41 -2.211 10.333 10.123 1.00 44.14 C ATOM 671 OG1 THR A 41 -3.631 10.195 10.233 1.00 21.33 O ATOM 672 CG2 THR A 41 -1.776 11.665 10.719 1.00 72.11 C ATOM 0 H THR A 41 -2.164 8.169 8.591 1.00 42.25 H new ATOM 0 HA THR A 41 -2.209 11.066 8.092 1.00 61.42 H new ATOM 0 HB THR A 41 -1.725 9.530 10.677 1.00 44.14 H new ATOM 0 HG1 THR A 41 -3.894 10.261 11.175 1.00 21.33 H new ATOM 0 HG21 THR A 41 -2.088 11.716 11.762 1.00 72.11 H new ATOM 0 HG22 THR A 41 -0.691 11.753 10.660 1.00 72.11 H new ATOM 0 HG23 THR A 41 -2.237 12.481 10.162 1.00 72.11 H new ATOM 680 N ALA A 42 0.254 11.409 8.065 1.00 54.11 N ATOM 681 CA ALA A 42 1.693 11.593 7.935 1.00 51.53 C ATOM 682 C ALA A 42 2.395 11.403 9.275 1.00 64.15 C ATOM 683 O ALA A 42 2.396 12.299 10.118 1.00 33.21 O ATOM 684 CB ALA A 42 1.999 12.973 7.369 1.00 45.34 C ATOM 0 H ALA A 42 -0.303 12.201 7.745 1.00 54.11 H new ATOM 0 HA ALA A 42 2.070 10.837 7.247 1.00 51.53 H new ATOM 0 HB1 ALA A 42 3.078 13.097 7.277 1.00 45.34 H new ATOM 0 HB2 ALA A 42 1.537 13.074 6.387 1.00 45.34 H new ATOM 0 HB3 ALA A 42 1.601 13.737 8.037 1.00 45.34 H new ATOM 690 N GLN A 43 2.990 10.230 9.464 1.00 61.14 N ATOM 691 CA GLN A 43 3.694 9.921 10.703 1.00 52.01 C ATOM 692 C GLN A 43 4.900 10.838 10.888 1.00 52.33 C ATOM 693 O GLN A 43 5.247 11.202 12.010 1.00 32.23 O ATOM 694 CB GLN A 43 4.145 8.459 10.709 1.00 5.24 C ATOM 695 CG GLN A 43 4.886 8.047 9.448 1.00 50.42 C ATOM 696 CD GLN A 43 4.102 7.062 8.604 1.00 33.30 C ATOM 697 OE1 GLN A 43 4.025 5.876 8.926 1.00 14.12 O ATOM 698 NE2 GLN A 43 3.513 7.549 7.518 1.00 43.01 N ATOM 0 H GLN A 43 2.999 9.478 8.775 1.00 61.14 H new ATOM 0 HA GLN A 43 3.005 10.084 11.532 1.00 52.01 H new ATOM 0 HB2 GLN A 43 4.790 8.290 11.571 1.00 5.24 H new ATOM 0 HB3 GLN A 43 3.272 7.818 10.833 1.00 5.24 H new ATOM 0 HG2 GLN A 43 5.105 8.934 8.854 1.00 50.42 H new ATOM 0 HG3 GLN A 43 5.843 7.603 9.723 1.00 50.42 H new ATOM 0 HE21 GLN A 43 3.603 8.539 7.289 1.00 43.01 H new ATOM 0 HE22 GLN A 43 2.970 6.933 6.913 1.00 43.01 H new ATOM 707 N GLN A 44 5.532 11.206 9.778 1.00 11.14 N ATOM 708 CA GLN A 44 6.698 12.080 9.818 1.00 23.23 C ATOM 709 C GLN A 44 6.615 13.150 8.735 1.00 13.23 C ATOM 710 O GLN A 44 5.582 13.310 8.084 1.00 72.33 O ATOM 711 CB GLN A 44 7.979 11.262 9.648 1.00 3.41 C ATOM 712 CG GLN A 44 8.070 10.071 10.586 1.00 64.44 C ATOM 713 CD GLN A 44 9.303 9.224 10.338 1.00 74.10 C ATOM 714 OE1 GLN A 44 9.231 7.950 10.705 1.00 61.51 O flip ATOM 715 NE2 GLN A 44 10.309 9.710 9.820 1.00 71.31 N flip ATOM 0 H GLN A 44 5.256 10.913 8.841 1.00 11.14 H new ATOM 0 HA GLN A 44 6.717 12.575 10.789 1.00 23.23 H new ATOM 0 HB2 GLN A 44 8.040 10.909 8.619 1.00 3.41 H new ATOM 0 HB3 GLN A 44 8.839 11.911 9.814 1.00 3.41 H new ATOM 0 HG2 GLN A 44 8.079 10.425 11.617 1.00 64.44 H new ATOM 0 HG3 GLN A 44 7.180 9.453 10.469 1.00 64.44 H new ATOM 0 HE21 GLN A 44 10.320 10.694 9.553 1.00 71.31 H new ATOM 0 HE22 GLN A 44 11.131 9.128 9.657 1.00 71.31 H new ATOM 724 N ASP A 45 7.708 13.881 8.547 1.00 52.04 N ATOM 725 CA ASP A 45 7.760 14.936 7.540 1.00 31.43 C ATOM 726 C ASP A 45 7.938 14.347 6.145 1.00 64.32 C ATOM 727 O ASP A 45 7.338 14.820 5.180 1.00 34.40 O ATOM 728 CB ASP A 45 8.901 15.908 7.847 1.00 73.34 C ATOM 729 CG ASP A 45 8.548 16.884 8.950 1.00 14.24 C ATOM 730 OD1 ASP A 45 9.316 16.980 9.930 1.00 65.04 O ATOM 731 OD2 ASP A 45 7.500 17.557 8.835 1.00 72.33 O ATOM 0 H ASP A 45 8.571 13.763 9.079 1.00 52.04 H new ATOM 0 HA ASP A 45 6.815 15.478 7.568 1.00 31.43 H new ATOM 0 HB2 ASP A 45 9.788 15.343 8.135 1.00 73.34 H new ATOM 0 HB3 ASP A 45 9.156 16.462 6.943 1.00 73.34 H new ATOM 737 N GLN A 46 8.767 13.313 6.046 1.00 44.02 N ATOM 738 CA GLN A 46 9.026 12.663 4.766 1.00 61.22 C ATOM 739 C GLN A 46 7.752 12.039 4.205 1.00 21.25 C ATOM 740 O GLN A 46 7.611 11.878 2.994 1.00 12.14 O ATOM 741 CB GLN A 46 10.104 11.589 4.926 1.00 50.05 C ATOM 742 CG GLN A 46 11.520 12.143 4.921 1.00 22.32 C ATOM 743 CD GLN A 46 12.241 11.890 3.613 1.00 3.04 C ATOM 744 OE1 GLN A 46 11.811 12.352 2.555 1.00 41.20 O ATOM 745 NE2 GLN A 46 13.346 11.156 3.677 1.00 13.34 N ATOM 0 H GLN A 46 9.270 12.908 6.835 1.00 44.02 H new ATOM 0 HA GLN A 46 9.377 13.421 4.066 1.00 61.22 H new ATOM 0 HB2 GLN A 46 9.936 11.053 5.860 1.00 50.05 H new ATOM 0 HB3 GLN A 46 10.004 10.863 4.119 1.00 50.05 H new ATOM 0 HG2 GLN A 46 11.487 13.216 5.112 1.00 22.32 H new ATOM 0 HG3 GLN A 46 12.085 11.692 5.736 1.00 22.32 H new ATOM 0 HE21 GLN A 46 13.666 10.793 4.575 1.00 13.34 H new ATOM 0 HE22 GLN A 46 13.875 10.955 2.828 1.00 13.34 H new ATOM 754 N GLU A 47 6.828 11.692 5.095 1.00 55.41 N ATOM 755 CA GLU A 47 5.565 11.085 4.687 1.00 10.34 C ATOM 756 C GLU A 47 4.516 12.155 4.399 1.00 43.12 C ATOM 757 O GLU A 47 4.693 13.324 4.745 1.00 1.01 O ATOM 758 CB GLU A 47 5.055 10.136 5.773 1.00 42.53 C ATOM 759 CG GLU A 47 6.152 9.311 6.425 1.00 41.41 C ATOM 760 CD GLU A 47 7.168 8.794 5.423 1.00 11.43 C ATOM 761 OE1 GLU A 47 6.749 8.352 4.332 1.00 2.24 O ATOM 762 OE2 GLU A 47 8.376 8.832 5.730 1.00 42.41 O ATOM 0 H GLU A 47 6.929 11.820 6.102 1.00 55.41 H new ATOM 0 HA GLU A 47 5.742 10.518 3.773 1.00 10.34 H new ATOM 0 HB2 GLU A 47 4.544 10.717 6.541 1.00 42.53 H new ATOM 0 HB3 GLU A 47 4.316 9.463 5.338 1.00 42.53 H new ATOM 0 HG2 GLU A 47 6.662 9.918 7.173 1.00 41.41 H new ATOM 0 HG3 GLU A 47 5.704 8.468 6.950 1.00 41.41 H new ATOM 769 N LEU A 48 3.424 11.749 3.762 1.00 73.12 N ATOM 770 CA LEU A 48 2.345 12.671 3.426 1.00 70.23 C ATOM 771 C LEU A 48 0.990 12.098 3.831 1.00 25.41 C ATOM 772 O LEU A 48 0.763 10.892 3.736 1.00 32.30 O ATOM 773 CB LEU A 48 2.355 12.973 1.926 1.00 4.31 C ATOM 774 CG LEU A 48 2.398 14.452 1.541 1.00 42.51 C ATOM 775 CD1 LEU A 48 2.772 14.611 0.075 1.00 32.51 C ATOM 776 CD2 LEU A 48 1.060 15.117 1.826 1.00 0.33 C ATOM 0 H LEU A 48 3.262 10.786 3.467 1.00 73.12 H new ATOM 0 HA LEU A 48 2.507 13.596 3.979 1.00 70.23 H new ATOM 0 HB2 LEU A 48 3.218 12.477 1.481 1.00 4.31 H new ATOM 0 HB3 LEU A 48 1.466 12.527 1.480 1.00 4.31 H new ATOM 0 HG LEU A 48 3.161 14.943 2.145 1.00 42.51 H new ATOM 0 HD11 LEU A 48 2.798 15.670 -0.181 1.00 32.51 H new ATOM 0 HD12 LEU A 48 3.754 14.171 -0.100 1.00 32.51 H new ATOM 0 HD13 LEU A 48 2.033 14.105 -0.546 1.00 32.51 H new ATOM 0 HD21 LEU A 48 1.110 16.169 1.546 1.00 0.33 H new ATOM 0 HD22 LEU A 48 0.278 14.624 1.248 1.00 0.33 H new ATOM 0 HD23 LEU A 48 0.832 15.035 2.889 1.00 0.33 H new ATOM 788 N ASP A 49 0.096 12.969 4.283 1.00 15.44 N ATOM 789 CA ASP A 49 -1.236 12.550 4.700 1.00 10.12 C ATOM 790 C ASP A 49 -2.143 12.340 3.491 1.00 34.30 C ATOM 791 O ASP A 49 -2.441 13.281 2.755 1.00 54.11 O ATOM 792 CB ASP A 49 -1.851 13.589 5.639 1.00 3.43 C ATOM 793 CG ASP A 49 -0.815 14.254 6.524 1.00 34.41 C ATOM 794 OD1 ASP A 49 -0.047 15.095 6.011 1.00 74.32 O ATOM 795 OD2 ASP A 49 -0.773 13.933 7.731 1.00 14.45 O ATOM 0 H ASP A 49 0.270 13.970 4.370 1.00 15.44 H new ATOM 0 HA ASP A 49 -1.142 11.603 5.231 1.00 10.12 H new ATOM 0 HB2 ASP A 49 -2.363 14.349 5.049 1.00 3.43 H new ATOM 0 HB3 ASP A 49 -2.604 13.109 6.264 1.00 3.43 H new ATOM 801 N ILE A 50 -2.577 11.100 3.293 1.00 60.22 N ATOM 802 CA ILE A 50 -3.450 10.766 2.173 1.00 41.34 C ATOM 803 C ILE A 50 -4.838 10.361 2.659 1.00 44.33 C ATOM 804 O ILE A 50 -5.023 10.021 3.828 1.00 53.41 O ATOM 805 CB ILE A 50 -2.862 9.624 1.323 1.00 54.42 C ATOM 806 CG1 ILE A 50 -2.354 8.497 2.224 1.00 44.01 C ATOM 807 CG2 ILE A 50 -1.742 10.146 0.436 1.00 54.30 C ATOM 808 CD1 ILE A 50 -2.130 7.193 1.492 1.00 45.03 C ATOM 0 H ILE A 50 -2.339 10.310 3.893 1.00 60.22 H new ATOM 0 HA ILE A 50 -3.531 11.662 1.557 1.00 41.34 H new ATOM 0 HB ILE A 50 -3.649 9.225 0.683 1.00 54.42 H new ATOM 0 HG12 ILE A 50 -1.419 8.808 2.689 1.00 44.01 H new ATOM 0 HG13 ILE A 50 -3.072 8.334 3.028 1.00 44.01 H new ATOM 0 HG21 ILE A 50 -1.337 9.327 -0.158 1.00 54.30 H new ATOM 0 HG22 ILE A 50 -2.133 10.917 -0.228 1.00 54.30 H new ATOM 0 HG23 ILE A 50 -0.952 10.568 1.058 1.00 54.30 H new ATOM 0 HD11 ILE A 50 -1.770 6.440 2.193 1.00 45.03 H new ATOM 0 HD12 ILE A 50 -3.068 6.858 1.049 1.00 45.03 H new ATOM 0 HD13 ILE A 50 -1.390 7.340 0.705 1.00 45.03 H new ATOM 820 N LYS A 51 -5.809 10.399 1.753 1.00 30.21 N ATOM 821 CA LYS A 51 -7.181 10.033 2.087 1.00 40.03 C ATOM 822 C LYS A 51 -7.628 8.813 1.288 1.00 64.34 C ATOM 823 O LYS A 51 -6.844 8.224 0.545 1.00 52.13 O ATOM 824 CB LYS A 51 -8.124 11.208 1.815 1.00 63.43 C ATOM 825 CG LYS A 51 -8.735 11.800 3.072 1.00 43.02 C ATOM 826 CD LYS A 51 -7.860 12.899 3.654 1.00 62.23 C ATOM 827 CE LYS A 51 -8.154 13.125 5.128 1.00 14.13 C ATOM 828 NZ LYS A 51 -8.445 14.556 5.422 1.00 33.50 N ATOM 0 H LYS A 51 -5.672 10.679 0.782 1.00 30.21 H new ATOM 0 HA LYS A 51 -7.217 9.784 3.148 1.00 40.03 H new ATOM 0 HB2 LYS A 51 -7.576 11.988 1.285 1.00 63.43 H new ATOM 0 HB3 LYS A 51 -8.924 10.875 1.154 1.00 63.43 H new ATOM 0 HG2 LYS A 51 -9.722 12.202 2.843 1.00 43.02 H new ATOM 0 HG3 LYS A 51 -8.875 11.014 3.814 1.00 43.02 H new ATOM 0 HD2 LYS A 51 -6.810 12.634 3.528 1.00 62.23 H new ATOM 0 HD3 LYS A 51 -8.024 13.825 3.103 1.00 62.23 H new ATOM 0 HE2 LYS A 51 -9.005 12.512 5.427 1.00 14.13 H new ATOM 0 HE3 LYS A 51 -7.301 12.798 5.723 1.00 14.13 H new ATOM 0 HZ1 LYS A 51 -8.640 14.669 6.437 1.00 33.50 H new ATOM 0 HZ2 LYS A 51 -7.624 15.138 5.161 1.00 33.50 H new ATOM 0 HZ3 LYS A 51 -9.274 14.861 4.874 1.00 33.50 H new ATOM 842 N LYS A 52 -8.892 8.439 1.448 1.00 2.12 N ATOM 843 CA LYS A 52 -9.446 7.289 0.740 1.00 12.04 C ATOM 844 C LYS A 52 -9.908 7.683 -0.659 1.00 1.45 C ATOM 845 O LYS A 52 -10.407 8.787 -0.869 1.00 14.52 O ATOM 846 CB LYS A 52 -10.616 6.696 1.528 1.00 54.41 C ATOM 847 CG LYS A 52 -10.513 6.912 3.027 1.00 22.41 C ATOM 848 CD LYS A 52 -11.689 7.715 3.556 1.00 33.40 C ATOM 849 CE LYS A 52 -11.784 9.076 2.884 1.00 71.34 C ATOM 850 NZ LYS A 52 -12.992 9.829 3.321 1.00 54.45 N ATOM 0 H LYS A 52 -9.553 8.915 2.062 1.00 2.12 H new ATOM 0 HA LYS A 52 -8.662 6.538 0.646 1.00 12.04 H new ATOM 0 HB2 LYS A 52 -11.546 7.138 1.169 1.00 54.41 H new ATOM 0 HB3 LYS A 52 -10.673 5.626 1.327 1.00 54.41 H new ATOM 0 HG2 LYS A 52 -10.473 5.947 3.533 1.00 22.41 H new ATOM 0 HG3 LYS A 52 -9.583 7.432 3.258 1.00 22.41 H new ATOM 0 HD2 LYS A 52 -12.613 7.161 3.390 1.00 33.40 H new ATOM 0 HD3 LYS A 52 -11.586 7.847 4.633 1.00 33.40 H new ATOM 0 HE2 LYS A 52 -10.891 9.657 3.114 1.00 71.34 H new ATOM 0 HE3 LYS A 52 -11.809 8.946 1.802 1.00 71.34 H new ATOM 0 HZ1 LYS A 52 -13.019 10.751 2.840 1.00 54.45 H new ATOM 0 HZ2 LYS A 52 -13.846 9.287 3.079 1.00 54.45 H new ATOM 0 HZ3 LYS A 52 -12.956 9.976 4.350 1.00 54.45 H new ATOM 864 N ASN A 53 -9.738 6.772 -1.612 1.00 2.14 N ATOM 865 CA ASN A 53 -10.140 7.025 -2.991 1.00 11.23 C ATOM 866 C ASN A 53 -9.352 8.190 -3.582 1.00 2.14 C ATOM 867 O ASN A 53 -9.736 8.757 -4.604 1.00 3.54 O ATOM 868 CB ASN A 53 -11.640 7.321 -3.062 1.00 25.31 C ATOM 869 CG ASN A 53 -12.161 7.329 -4.486 1.00 63.04 C ATOM 870 OD1 ASN A 53 -11.676 6.585 -5.340 1.00 74.50 O ATOM 871 ND2 ASN A 53 -13.153 8.171 -4.750 1.00 61.41 N ATOM 0 H ASN A 53 -9.325 5.853 -1.455 1.00 2.14 H new ATOM 0 HA ASN A 53 -9.925 6.130 -3.575 1.00 11.23 H new ATOM 0 HB2 ASN A 53 -12.183 6.573 -2.484 1.00 25.31 H new ATOM 0 HB3 ASN A 53 -11.839 8.288 -2.600 1.00 25.31 H new ATOM 0 HD21 ASN A 53 -13.544 8.220 -5.691 1.00 61.41 H new ATOM 0 HD22 ASN A 53 -13.524 8.769 -4.012 1.00 61.41 H new ATOM 878 N GLU A 54 -8.247 8.540 -2.931 1.00 2.51 N ATOM 879 CA GLU A 54 -7.405 9.639 -3.392 1.00 53.13 C ATOM 880 C GLU A 54 -6.393 9.151 -4.425 1.00 65.01 C ATOM 881 O GLU A 54 -5.707 8.150 -4.213 1.00 54.11 O ATOM 882 CB GLU A 54 -6.675 10.283 -2.211 1.00 14.32 C ATOM 883 CG GLU A 54 -6.214 11.704 -2.484 1.00 11.53 C ATOM 884 CD GLU A 54 -6.381 12.613 -1.281 1.00 61.51 C ATOM 885 OE1 GLU A 54 -5.489 12.609 -0.406 1.00 50.24 O ATOM 886 OE2 GLU A 54 -7.403 13.326 -1.213 1.00 31.21 O ATOM 0 H GLU A 54 -7.914 8.079 -2.084 1.00 2.51 H new ATOM 0 HA GLU A 54 -8.048 10.384 -3.861 1.00 53.13 H new ATOM 0 HB2 GLU A 54 -7.335 10.284 -1.343 1.00 14.32 H new ATOM 0 HB3 GLU A 54 -5.810 9.672 -1.953 1.00 14.32 H new ATOM 0 HG2 GLU A 54 -5.166 11.691 -2.782 1.00 11.53 H new ATOM 0 HG3 GLU A 54 -6.779 12.110 -3.323 1.00 11.53 H new ATOM 893 N ARG A 55 -6.305 9.865 -5.542 1.00 42.31 N ATOM 894 CA ARG A 55 -5.379 9.504 -6.608 1.00 51.42 C ATOM 895 C ARG A 55 -4.235 10.511 -6.699 1.00 21.25 C ATOM 896 O ARG A 55 -4.412 11.696 -6.410 1.00 72.33 O ATOM 897 CB ARG A 55 -6.114 9.431 -7.948 1.00 61.44 C ATOM 898 CG ARG A 55 -7.141 10.535 -8.141 1.00 34.41 C ATOM 899 CD ARG A 55 -8.528 10.087 -7.706 1.00 51.31 C ATOM 900 NE ARG A 55 -9.570 10.590 -8.598 1.00 23.31 N ATOM 901 CZ ARG A 55 -10.820 10.140 -8.594 1.00 44.31 C ATOM 902 NH1 ARG A 55 -11.181 9.183 -7.752 1.00 35.13 N ATOM 903 NH2 ARG A 55 -11.711 10.649 -9.436 1.00 42.40 N ATOM 0 H ARG A 55 -6.864 10.697 -5.732 1.00 42.31 H new ATOM 0 HA ARG A 55 -4.961 8.524 -6.376 1.00 51.42 H new ATOM 0 HB2 ARG A 55 -5.384 9.480 -8.756 1.00 61.44 H new ATOM 0 HB3 ARG A 55 -6.613 8.465 -8.027 1.00 61.44 H new ATOM 0 HG2 ARG A 55 -6.845 11.414 -7.568 1.00 34.41 H new ATOM 0 HG3 ARG A 55 -7.165 10.832 -9.190 1.00 34.41 H new ATOM 0 HD2 ARG A 55 -8.566 8.998 -7.682 1.00 51.31 H new ATOM 0 HD3 ARG A 55 -8.720 10.436 -6.691 1.00 51.31 H new ATOM 0 HE ARG A 55 -9.325 11.326 -9.260 1.00 23.31 H new ATOM 0 HH11 ARG A 55 -10.498 8.789 -7.104 1.00 35.13 H new ATOM 0 HH12 ARG A 55 -12.142 8.840 -7.751 1.00 35.13 H new ATOM 0 HH21 ARG A 55 -11.436 11.385 -10.086 1.00 42.40 H new ATOM 0 HH22 ARG A 55 -12.671 10.304 -9.433 1.00 42.40 H new ATOM 917 N LEU A 56 -3.062 10.032 -7.100 1.00 14.33 N ATOM 918 CA LEU A 56 -1.890 10.889 -7.229 1.00 23.24 C ATOM 919 C LEU A 56 -1.002 10.430 -8.379 1.00 70.44 C ATOM 920 O LEU A 56 -1.265 9.403 -9.006 1.00 3.40 O ATOM 921 CB LEU A 56 -1.092 10.893 -5.923 1.00 40.42 C ATOM 922 CG LEU A 56 -1.501 11.942 -4.889 1.00 70.23 C ATOM 923 CD1 LEU A 56 -2.685 11.452 -4.071 1.00 25.15 C ATOM 924 CD2 LEU A 56 -0.327 12.281 -3.980 1.00 2.34 C ATOM 0 H LEU A 56 -2.898 9.055 -7.341 1.00 14.33 H new ATOM 0 HA LEU A 56 -2.233 11.901 -7.443 1.00 23.24 H new ATOM 0 HB2 LEU A 56 -1.178 9.908 -5.465 1.00 40.42 H new ATOM 0 HB3 LEU A 56 -0.039 11.041 -6.164 1.00 40.42 H new ATOM 0 HG LEU A 56 -1.800 12.847 -5.417 1.00 70.23 H new ATOM 0 HD11 LEU A 56 -2.962 12.212 -3.340 1.00 25.15 H new ATOM 0 HD12 LEU A 56 -3.530 11.260 -4.733 1.00 25.15 H new ATOM 0 HD13 LEU A 56 -2.414 10.532 -3.553 1.00 25.15 H new ATOM 0 HD21 LEU A 56 -0.636 13.029 -3.250 1.00 2.34 H new ATOM 0 HD22 LEU A 56 0.002 11.381 -3.460 1.00 2.34 H new ATOM 0 HD23 LEU A 56 0.494 12.675 -4.578 1.00 2.34 H new ATOM 936 N TRP A 57 0.050 11.194 -8.649 1.00 52.24 N ATOM 937 CA TRP A 57 0.978 10.863 -9.726 1.00 62.23 C ATOM 938 C TRP A 57 2.116 9.988 -9.211 1.00 43.51 C ATOM 939 O TRP A 57 2.932 10.427 -8.399 1.00 1.43 O ATOM 940 CB TRP A 57 1.542 12.140 -10.352 1.00 74.32 C ATOM 941 CG TRP A 57 0.603 12.789 -11.323 1.00 24.13 C ATOM 942 CD1 TRP A 57 0.760 12.884 -12.676 1.00 72.33 C ATOM 943 CD2 TRP A 57 -0.635 13.438 -11.014 1.00 73.45 C ATOM 944 NE1 TRP A 57 -0.307 13.551 -13.227 1.00 0.41 N ATOM 945 CE2 TRP A 57 -1.177 13.901 -12.230 1.00 74.33 C ATOM 946 CE3 TRP A 57 -1.342 13.669 -9.831 1.00 11.00 C ATOM 947 CZ2 TRP A 57 -2.391 14.581 -12.292 1.00 20.40 C ATOM 948 CZ3 TRP A 57 -2.545 14.346 -9.894 1.00 64.54 C ATOM 949 CH2 TRP A 57 -3.060 14.795 -11.117 1.00 42.14 C ATOM 0 H TRP A 57 0.282 12.046 -8.138 1.00 52.24 H new ATOM 0 HA TRP A 57 0.431 10.306 -10.487 1.00 62.23 H new ATOM 0 HB2 TRP A 57 1.782 12.849 -9.560 1.00 74.32 H new ATOM 0 HB3 TRP A 57 2.476 11.904 -10.862 1.00 74.32 H new ATOM 0 HD1 TRP A 57 1.599 12.492 -13.231 1.00 72.33 H new ATOM 0 HE1 TRP A 57 -0.431 13.753 -14.219 1.00 0.41 H new ATOM 0 HE3 TRP A 57 -0.955 13.324 -8.884 1.00 11.00 H new ATOM 0 HZ2 TRP A 57 -2.790 14.927 -13.234 1.00 20.40 H new ATOM 0 HZ3 TRP A 57 -3.098 14.532 -8.985 1.00 64.54 H new ATOM 0 HH2 TRP A 57 -4.003 15.320 -11.133 1.00 42.14 H new ATOM 960 N LEU A 58 2.168 8.750 -9.690 1.00 3.22 N ATOM 961 CA LEU A 58 3.208 7.814 -9.278 1.00 51.03 C ATOM 962 C LEU A 58 4.579 8.274 -9.761 1.00 1.33 C ATOM 963 O LEU A 58 4.795 8.468 -10.958 1.00 51.52 O ATOM 964 CB LEU A 58 2.907 6.416 -9.822 1.00 62.35 C ATOM 965 CG LEU A 58 2.598 5.342 -8.779 1.00 42.02 C ATOM 966 CD1 LEU A 58 2.445 3.982 -9.441 1.00 45.41 C ATOM 967 CD2 LEU A 58 3.687 5.300 -7.717 1.00 23.21 C ATOM 0 H LEU A 58 1.502 8.371 -10.364 1.00 3.22 H new ATOM 0 HA LEU A 58 3.220 7.780 -8.189 1.00 51.03 H new ATOM 0 HB2 LEU A 58 2.059 6.488 -10.503 1.00 62.35 H new ATOM 0 HB3 LEU A 58 3.762 6.086 -10.412 1.00 62.35 H new ATOM 0 HG LEU A 58 1.655 5.595 -8.295 1.00 42.02 H new ATOM 0 HD11 LEU A 58 2.225 3.231 -8.682 1.00 45.41 H new ATOM 0 HD12 LEU A 58 1.629 4.018 -10.163 1.00 45.41 H new ATOM 0 HD13 LEU A 58 3.371 3.720 -9.953 1.00 45.41 H new ATOM 0 HD21 LEU A 58 3.450 4.530 -6.983 1.00 23.21 H new ATOM 0 HD22 LEU A 58 4.644 5.072 -8.186 1.00 23.21 H new ATOM 0 HD23 LEU A 58 3.748 6.268 -7.220 1.00 23.21 H new ATOM 979 N LEU A 59 5.502 8.451 -8.823 1.00 43.15 N ATOM 980 CA LEU A 59 6.855 8.888 -9.154 1.00 63.34 C ATOM 981 C LEU A 59 7.810 7.701 -9.218 1.00 44.01 C ATOM 982 O LEU A 59 8.248 7.303 -10.296 1.00 45.44 O ATOM 983 CB LEU A 59 7.351 9.901 -8.119 1.00 63.32 C ATOM 984 CG LEU A 59 6.514 11.172 -7.970 1.00 40.40 C ATOM 985 CD1 LEU A 59 7.207 12.161 -7.046 1.00 31.32 C ATOM 986 CD2 LEU A 59 6.253 11.802 -9.331 1.00 62.15 C ATOM 0 H LEU A 59 5.339 8.299 -7.828 1.00 43.15 H new ATOM 0 HA LEU A 59 6.828 9.362 -10.135 1.00 63.34 H new ATOM 0 HB2 LEU A 59 7.399 9.406 -7.149 1.00 63.32 H new ATOM 0 HB3 LEU A 59 8.369 10.189 -8.381 1.00 63.32 H new ATOM 0 HG LEU A 59 5.555 10.903 -7.527 1.00 40.40 H new ATOM 0 HD11 LEU A 59 6.597 13.060 -6.952 1.00 31.32 H new ATOM 0 HD12 LEU A 59 7.341 11.709 -6.063 1.00 31.32 H new ATOM 0 HD13 LEU A 59 8.180 12.425 -7.460 1.00 31.32 H new ATOM 0 HD21 LEU A 59 5.656 12.705 -9.205 1.00 62.15 H new ATOM 0 HD22 LEU A 59 7.202 12.057 -9.802 1.00 62.15 H new ATOM 0 HD23 LEU A 59 5.713 11.095 -9.962 1.00 62.15 H new ATOM 998 N ASP A 60 8.128 7.139 -8.056 1.00 73.25 N ATOM 999 CA ASP A 60 9.028 5.994 -7.981 1.00 25.11 C ATOM 1000 C ASP A 60 8.485 4.937 -7.025 1.00 54.51 C ATOM 1001 O ASP A 60 8.434 5.149 -5.814 1.00 75.34 O ATOM 1002 CB ASP A 60 10.420 6.443 -7.528 1.00 14.41 C ATOM 1003 CG ASP A 60 11.508 5.487 -7.973 1.00 51.35 C ATOM 1004 OD1 ASP A 60 12.222 4.952 -7.099 1.00 64.30 O ATOM 1005 OD2 ASP A 60 11.648 5.273 -9.196 1.00 32.35 O ATOM 0 H ASP A 60 7.776 7.458 -7.154 1.00 73.25 H new ATOM 0 HA ASP A 60 9.101 5.554 -8.976 1.00 25.11 H new ATOM 0 HB2 ASP A 60 10.627 7.436 -7.928 1.00 14.41 H new ATOM 0 HB3 ASP A 60 10.436 6.527 -6.441 1.00 14.41 H new ATOM 1011 N ASP A 61 8.080 3.800 -7.579 1.00 71.32 N ATOM 1012 CA ASP A 61 7.541 2.708 -6.777 1.00 34.52 C ATOM 1013 C ASP A 61 8.374 1.443 -6.950 1.00 63.23 C ATOM 1014 O ASP A 61 8.003 0.542 -7.702 1.00 73.40 O ATOM 1015 CB ASP A 61 6.086 2.433 -7.162 1.00 52.25 C ATOM 1016 CG ASP A 61 5.822 2.679 -8.636 1.00 20.50 C ATOM 1017 OD1 ASP A 61 5.646 1.690 -9.379 1.00 11.24 O ATOM 1018 OD2 ASP A 61 5.790 3.858 -9.043 1.00 43.41 O ATOM 0 H ASP A 61 8.115 3.610 -8.581 1.00 71.32 H new ATOM 0 HA ASP A 61 7.581 3.006 -5.729 1.00 34.52 H new ATOM 0 HB2 ASP A 61 5.837 1.400 -6.918 1.00 52.25 H new ATOM 0 HB3 ASP A 61 5.429 3.068 -6.567 1.00 52.25 H new ATOM 1024 N SER A 62 9.501 1.382 -6.250 1.00 61.42 N ATOM 1025 CA SER A 62 10.391 0.228 -6.330 1.00 34.43 C ATOM 1026 C SER A 62 10.372 -0.563 -5.025 1.00 12.22 C ATOM 1027 O SER A 62 10.208 -1.783 -5.027 1.00 14.52 O ATOM 1028 CB SER A 62 11.818 0.678 -6.647 1.00 13.42 C ATOM 1029 OG SER A 62 12.088 0.576 -8.035 1.00 33.53 O ATOM 0 H SER A 62 9.821 2.118 -5.620 1.00 61.42 H new ATOM 0 HA SER A 62 10.036 -0.419 -7.132 1.00 34.43 H new ATOM 0 HB2 SER A 62 11.959 1.708 -6.321 1.00 13.42 H new ATOM 0 HB3 SER A 62 12.528 0.067 -6.089 1.00 13.42 H new ATOM 0 HG SER A 62 13.006 0.871 -8.212 1.00 33.53 H new ATOM 1035 N LYS A 63 10.544 0.142 -3.911 1.00 63.44 N ATOM 1036 CA LYS A 63 10.546 -0.492 -2.598 1.00 60.10 C ATOM 1037 C LYS A 63 9.132 -0.584 -2.035 1.00 53.44 C ATOM 1038 O LYS A 63 8.175 -0.116 -2.652 1.00 45.22 O ATOM 1039 CB LYS A 63 11.441 0.290 -1.635 1.00 25.34 C ATOM 1040 CG LYS A 63 12.808 -0.339 -1.425 1.00 52.13 C ATOM 1041 CD LYS A 63 13.701 0.537 -0.564 1.00 71.03 C ATOM 1042 CE LYS A 63 15.167 0.374 -0.934 1.00 51.24 C ATOM 1043 NZ LYS A 63 16.006 1.469 -0.372 1.00 13.31 N ATOM 0 H LYS A 63 10.684 1.152 -3.892 1.00 63.44 H new ATOM 0 HA LYS A 63 10.938 -1.503 -2.710 1.00 60.10 H new ATOM 0 HB2 LYS A 63 11.572 1.303 -2.016 1.00 25.34 H new ATOM 0 HB3 LYS A 63 10.938 0.374 -0.672 1.00 25.34 H new ATOM 0 HG2 LYS A 63 12.691 -1.315 -0.954 1.00 52.13 H new ATOM 0 HG3 LYS A 63 13.284 -0.506 -2.391 1.00 52.13 H new ATOM 0 HD2 LYS A 63 13.409 1.581 -0.680 1.00 71.03 H new ATOM 0 HD3 LYS A 63 13.559 0.282 0.486 1.00 71.03 H new ATOM 0 HE2 LYS A 63 15.530 -0.586 -0.567 1.00 51.24 H new ATOM 0 HE3 LYS A 63 15.268 0.359 -2.019 1.00 51.24 H new ATOM 0 HZ1 LYS A 63 16.998 1.322 -0.646 1.00 13.31 H new ATOM 0 HZ2 LYS A 63 15.676 2.383 -0.742 1.00 13.31 H new ATOM 0 HZ3 LYS A 63 15.930 1.467 0.665 1.00 13.31 H new ATOM 1057 N THR A 64 9.007 -1.188 -0.857 1.00 33.12 N ATOM 1058 CA THR A 64 7.710 -1.339 -0.211 1.00 73.14 C ATOM 1059 C THR A 64 6.940 -0.024 -0.205 1.00 50.24 C ATOM 1060 O THR A 64 5.719 -0.009 -0.356 1.00 15.53 O ATOM 1061 CB THR A 64 7.860 -1.839 1.238 1.00 23.24 C ATOM 1062 OG1 THR A 64 6.648 -1.604 1.966 1.00 73.45 O ATOM 1063 CG2 THR A 64 9.018 -1.140 1.935 1.00 30.41 C ATOM 0 H THR A 64 9.788 -1.580 -0.332 1.00 33.12 H new ATOM 0 HA THR A 64 7.155 -2.078 -0.788 1.00 73.14 H new ATOM 0 HB THR A 64 8.065 -2.909 1.210 1.00 23.24 H new ATOM 0 HG1 THR A 64 5.942 -2.191 1.624 1.00 73.45 H new ATOM 0 HG21 THR A 64 9.104 -1.510 2.957 1.00 30.41 H new ATOM 0 HG22 THR A 64 9.943 -1.344 1.396 1.00 30.41 H new ATOM 0 HG23 THR A 64 8.837 -0.065 1.952 1.00 30.41 H new ATOM 1071 N TRP A 65 7.662 1.076 -0.032 1.00 1.52 N ATOM 1072 CA TRP A 65 7.046 2.399 -0.009 1.00 21.13 C ATOM 1073 C TRP A 65 7.127 3.062 -1.381 1.00 35.44 C ATOM 1074 O TRP A 65 8.161 3.005 -2.046 1.00 13.53 O ATOM 1075 CB TRP A 65 7.724 3.282 1.038 1.00 33.45 C ATOM 1076 CG TRP A 65 7.227 3.039 2.432 1.00 5.52 C ATOM 1077 CD1 TRP A 65 7.391 1.904 3.174 1.00 3.04 C ATOM 1078 CD2 TRP A 65 6.486 3.951 3.249 1.00 23.10 C ATOM 1079 NE1 TRP A 65 6.795 2.056 4.402 1.00 24.10 N ATOM 1080 CE2 TRP A 65 6.234 3.303 4.474 1.00 52.14 C ATOM 1081 CE3 TRP A 65 6.012 5.253 3.065 1.00 11.22 C ATOM 1082 CZ2 TRP A 65 5.528 3.914 5.506 1.00 35.43 C ATOM 1083 CZ3 TRP A 65 5.311 5.857 4.091 1.00 21.31 C ATOM 1084 CH2 TRP A 65 5.074 5.188 5.299 1.00 4.20 C ATOM 0 H TRP A 65 8.674 1.080 0.094 1.00 1.52 H new ATOM 0 HA TRP A 65 5.995 2.278 0.254 1.00 21.13 H new ATOM 0 HB2 TRP A 65 8.800 3.108 1.008 1.00 33.45 H new ATOM 0 HB3 TRP A 65 7.563 4.329 0.780 1.00 33.45 H new ATOM 0 HD1 TRP A 65 7.912 1.018 2.844 1.00 3.04 H new ATOM 0 HE1 TRP A 65 6.774 1.353 5.141 1.00 24.10 H new ATOM 0 HE3 TRP A 65 6.190 5.777 2.138 1.00 11.22 H new ATOM 0 HZ2 TRP A 65 5.345 3.400 6.438 1.00 35.43 H new ATOM 0 HZ3 TRP A 65 4.939 6.862 3.960 1.00 21.31 H new ATOM 0 HH2 TRP A 65 4.522 5.687 6.082 1.00 4.20 H new ATOM 1095 N TRP A 66 6.032 3.689 -1.795 1.00 30.51 N ATOM 1096 CA TRP A 66 5.980 4.363 -3.087 1.00 41.14 C ATOM 1097 C TRP A 66 5.881 5.873 -2.909 1.00 2.15 C ATOM 1098 O TRP A 66 5.373 6.357 -1.898 1.00 0.43 O ATOM 1099 CB TRP A 66 4.791 3.854 -3.904 1.00 40.23 C ATOM 1100 CG TRP A 66 4.824 2.375 -4.142 1.00 62.21 C ATOM 1101 CD1 TRP A 66 5.875 1.532 -3.921 1.00 73.22 C ATOM 1102 CD2 TRP A 66 3.758 1.564 -4.650 1.00 33.44 C ATOM 1103 NE1 TRP A 66 5.527 0.246 -4.260 1.00 3.43 N ATOM 1104 CE2 TRP A 66 4.233 0.240 -4.710 1.00 63.13 C ATOM 1105 CE3 TRP A 66 2.448 1.828 -5.058 1.00 20.32 C ATOM 1106 CZ2 TRP A 66 3.445 -0.815 -5.161 1.00 75.32 C ATOM 1107 CZ3 TRP A 66 1.666 0.781 -5.505 1.00 40.42 C ATOM 1108 CH2 TRP A 66 2.165 -0.527 -5.554 1.00 53.45 C ATOM 0 H TRP A 66 5.168 3.745 -1.255 1.00 30.51 H new ATOM 0 HA TRP A 66 6.902 4.139 -3.623 1.00 41.14 H new ATOM 0 HB2 TRP A 66 3.867 4.111 -3.386 1.00 40.23 H new ATOM 0 HB3 TRP A 66 4.772 4.369 -4.864 1.00 40.23 H new ATOM 0 HD1 TRP A 66 6.839 1.832 -3.536 1.00 73.22 H new ATOM 0 HE1 TRP A 66 6.134 -0.571 -4.188 1.00 3.43 H new ATOM 0 HE3 TRP A 66 2.054 2.833 -5.024 1.00 20.32 H new ATOM 0 HZ2 TRP A 66 3.829 -1.824 -5.200 1.00 75.32 H new ATOM 0 HZ3 TRP A 66 0.652 0.974 -5.822 1.00 40.42 H new ATOM 0 HH2 TRP A 66 1.528 -1.324 -5.909 1.00 53.45 H new ATOM 1119 N ARG A 67 6.371 6.615 -3.899 1.00 73.54 N ATOM 1120 CA ARG A 67 6.337 8.072 -3.850 1.00 62.33 C ATOM 1121 C ARG A 67 5.445 8.632 -4.954 1.00 64.43 C ATOM 1122 O ARG A 67 5.640 8.336 -6.132 1.00 40.24 O ATOM 1123 CB ARG A 67 7.752 8.639 -3.984 1.00 1.14 C ATOM 1124 CG ARG A 67 7.784 10.130 -4.279 1.00 2.20 C ATOM 1125 CD ARG A 67 9.054 10.776 -3.748 1.00 42.44 C ATOM 1126 NE ARG A 67 10.255 10.101 -4.233 1.00 31.13 N ATOM 1127 CZ ARG A 67 11.477 10.614 -4.136 1.00 13.51 C ATOM 1128 NH1 ARG A 67 11.656 11.802 -3.575 1.00 43.11 N ATOM 1129 NH2 ARG A 67 12.520 9.940 -4.601 1.00 33.52 N ATOM 0 H ARG A 67 6.795 6.231 -4.743 1.00 73.54 H new ATOM 0 HA ARG A 67 5.923 8.370 -2.887 1.00 62.33 H new ATOM 0 HB2 ARG A 67 8.300 8.448 -3.061 1.00 1.14 H new ATOM 0 HB3 ARG A 67 8.273 8.108 -4.780 1.00 1.14 H new ATOM 0 HG2 ARG A 67 7.715 10.291 -5.355 1.00 2.20 H new ATOM 0 HG3 ARG A 67 6.915 10.610 -3.829 1.00 2.20 H new ATOM 0 HD2 ARG A 67 9.081 11.824 -4.048 1.00 42.44 H new ATOM 0 HD3 ARG A 67 9.042 10.757 -2.658 1.00 42.44 H new ATOM 0 HE ARG A 67 10.150 9.185 -4.670 1.00 31.13 H new ATOM 0 HH11 ARG A 67 10.855 12.323 -3.217 1.00 43.11 H new ATOM 0 HH12 ARG A 67 12.594 12.195 -3.501 1.00 43.11 H new ATOM 0 HH21 ARG A 67 12.385 9.026 -5.034 1.00 33.52 H new ATOM 0 HH22 ARG A 67 13.457 10.335 -4.526 1.00 33.52 H new ATOM 1143 N VAL A 68 4.468 9.443 -4.563 1.00 32.53 N ATOM 1144 CA VAL A 68 3.546 10.046 -5.518 1.00 45.32 C ATOM 1145 C VAL A 68 3.397 11.543 -5.269 1.00 62.34 C ATOM 1146 O VAL A 68 3.863 12.063 -4.255 1.00 53.24 O ATOM 1147 CB VAL A 68 2.156 9.385 -5.452 1.00 63.15 C ATOM 1148 CG1 VAL A 68 2.252 7.906 -5.798 1.00 70.32 C ATOM 1149 CG2 VAL A 68 1.540 9.580 -4.075 1.00 71.35 C ATOM 0 H VAL A 68 4.294 9.698 -3.591 1.00 32.53 H new ATOM 0 HA VAL A 68 3.969 9.886 -6.510 1.00 45.32 H new ATOM 0 HB VAL A 68 1.508 9.864 -6.186 1.00 63.15 H new ATOM 0 HG11 VAL A 68 1.261 7.455 -5.746 1.00 70.32 H new ATOM 0 HG12 VAL A 68 2.650 7.793 -6.807 1.00 70.32 H new ATOM 0 HG13 VAL A 68 2.914 7.409 -5.089 1.00 70.32 H new ATOM 0 HG21 VAL A 68 0.558 9.107 -4.045 1.00 71.35 H new ATOM 0 HG22 VAL A 68 2.184 9.127 -3.321 1.00 71.35 H new ATOM 0 HG23 VAL A 68 1.436 10.646 -3.871 1.00 71.35 H new ATOM 1159 N ARG A 69 2.744 12.229 -6.200 1.00 12.02 N ATOM 1160 CA ARG A 69 2.534 13.667 -6.082 1.00 35.25 C ATOM 1161 C ARG A 69 1.047 14.008 -6.158 1.00 64.32 C ATOM 1162 O ARG A 69 0.271 13.300 -6.797 1.00 53.43 O ATOM 1163 CB ARG A 69 3.294 14.409 -7.183 1.00 45.02 C ATOM 1164 CG ARG A 69 3.421 15.902 -6.935 1.00 1.12 C ATOM 1165 CD ARG A 69 3.856 16.639 -8.193 1.00 4.15 C ATOM 1166 NE ARG A 69 4.974 17.544 -7.937 1.00 22.00 N ATOM 1167 CZ ARG A 69 5.677 18.134 -8.898 1.00 51.54 C ATOM 1168 NH1 ARG A 69 5.377 17.917 -10.171 1.00 54.02 N ATOM 1169 NH2 ARG A 69 6.680 18.943 -8.587 1.00 2.53 N ATOM 0 H ARG A 69 2.351 11.813 -7.044 1.00 12.02 H new ATOM 0 HA ARG A 69 2.914 13.984 -5.111 1.00 35.25 H new ATOM 0 HB2 ARG A 69 4.291 13.979 -7.278 1.00 45.02 H new ATOM 0 HB3 ARG A 69 2.786 14.249 -8.134 1.00 45.02 H new ATOM 0 HG2 ARG A 69 2.465 16.298 -6.592 1.00 1.12 H new ATOM 0 HG3 ARG A 69 4.144 16.080 -6.139 1.00 1.12 H new ATOM 0 HD2 ARG A 69 4.142 15.916 -8.956 1.00 4.15 H new ATOM 0 HD3 ARG A 69 3.014 17.206 -8.591 1.00 4.15 H new ATOM 0 HE ARG A 69 5.229 17.733 -6.968 1.00 22.00 H new ATOM 0 HH11 ARG A 69 4.605 17.296 -10.414 1.00 54.02 H new ATOM 0 HH12 ARG A 69 5.918 18.371 -10.907 1.00 54.02 H new ATOM 0 HH21 ARG A 69 6.913 19.113 -7.609 1.00 2.53 H new ATOM 0 HH22 ARG A 69 7.219 19.395 -9.326 1.00 2.53 H new ATOM 1183 N ASN A 70 0.660 15.095 -5.499 1.00 2.42 N ATOM 1184 CA ASN A 70 -0.732 15.529 -5.491 1.00 62.24 C ATOM 1185 C ASN A 70 -0.927 16.750 -6.384 1.00 2.54 C ATOM 1186 O ASN A 70 0.018 17.233 -7.007 1.00 4.14 O ATOM 1187 CB ASN A 70 -1.180 15.848 -4.064 1.00 13.44 C ATOM 1188 CG ASN A 70 -0.058 16.422 -3.221 1.00 32.44 C ATOM 1189 OD1 ASN A 70 0.921 15.738 -2.922 1.00 44.22 O ATOM 1190 ND2 ASN A 70 -0.196 17.684 -2.831 1.00 63.43 N ATOM 0 H ASN A 70 1.291 15.691 -4.964 1.00 2.42 H new ATOM 0 HA ASN A 70 -1.343 14.715 -5.882 1.00 62.24 H new ATOM 0 HB2 ASN A 70 -2.007 16.558 -4.096 1.00 13.44 H new ATOM 0 HB3 ASN A 70 -1.557 14.940 -3.593 1.00 13.44 H new ATOM 0 HD21 ASN A 70 0.526 18.123 -2.260 1.00 63.43 H new ATOM 0 HD22 ASN A 70 -1.024 18.214 -3.102 1.00 63.43 H new ATOM 1197 N ALA A 71 -2.159 17.246 -6.438 1.00 42.32 N ATOM 1198 CA ALA A 71 -2.477 18.414 -7.252 1.00 64.23 C ATOM 1199 C ALA A 71 -1.745 19.651 -6.745 1.00 3.50 C ATOM 1200 O ALA A 71 -1.653 20.660 -7.445 1.00 72.42 O ATOM 1201 CB ALA A 71 -3.978 18.655 -7.265 1.00 73.43 C ATOM 0 H ALA A 71 -2.953 16.858 -5.928 1.00 42.32 H new ATOM 0 HA ALA A 71 -2.143 18.218 -8.271 1.00 64.23 H new ATOM 0 HB1 ALA A 71 -4.201 19.530 -7.876 1.00 73.43 H new ATOM 0 HB2 ALA A 71 -4.483 17.783 -7.681 1.00 73.43 H new ATOM 0 HB3 ALA A 71 -4.328 18.825 -6.247 1.00 73.43 H new ATOM 1207 N ALA A 72 -1.224 19.569 -5.524 1.00 15.23 N ATOM 1208 CA ALA A 72 -0.500 20.682 -4.925 1.00 34.10 C ATOM 1209 C ALA A 72 0.960 20.687 -5.365 1.00 72.50 C ATOM 1210 O ALA A 72 1.765 21.472 -4.867 1.00 62.03 O ATOM 1211 CB ALA A 72 -0.596 20.618 -3.408 1.00 24.10 C ATOM 0 H ALA A 72 -1.291 18.742 -4.931 1.00 15.23 H new ATOM 0 HA ALA A 72 -0.959 21.609 -5.268 1.00 34.10 H new ATOM 0 HB1 ALA A 72 -0.051 21.456 -2.973 1.00 24.10 H new ATOM 0 HB2 ALA A 72 -1.642 20.671 -3.107 1.00 24.10 H new ATOM 0 HB3 ALA A 72 -0.164 19.681 -3.055 1.00 24.10 H new ATOM 1217 N ASN A 73 1.293 19.805 -6.303 1.00 33.42 N ATOM 1218 CA ASN A 73 2.658 19.707 -6.809 1.00 10.41 C ATOM 1219 C ASN A 73 3.612 19.235 -5.716 1.00 72.32 C ATOM 1220 O ASN A 73 4.830 19.331 -5.857 1.00 70.01 O ATOM 1221 CB ASN A 73 3.119 21.061 -7.354 1.00 0.44 C ATOM 1222 CG ASN A 73 1.980 21.860 -7.957 1.00 2.13 C ATOM 1223 OD1 ASN A 73 1.231 21.359 -8.796 1.00 2.23 O ATOM 1224 ND2 ASN A 73 1.846 23.111 -7.531 1.00 53.41 N ATOM 0 H ASN A 73 0.637 19.149 -6.727 1.00 33.42 H new ATOM 0 HA ASN A 73 2.668 18.974 -7.616 1.00 10.41 H new ATOM 0 HB2 ASN A 73 3.577 21.637 -6.549 1.00 0.44 H new ATOM 0 HB3 ASN A 73 3.888 20.902 -8.110 1.00 0.44 H new ATOM 0 HD21 ASN A 73 1.099 23.698 -7.901 1.00 53.41 H new ATOM 0 HD22 ASN A 73 2.490 23.484 -6.834 1.00 53.41 H new ATOM 1231 N ARG A 74 3.047 18.723 -4.627 1.00 74.44 N ATOM 1232 CA ARG A 74 3.847 18.235 -3.510 1.00 1.31 C ATOM 1233 C ARG A 74 4.109 16.737 -3.641 1.00 15.23 C ATOM 1234 O ARG A 74 3.234 15.977 -4.057 1.00 63.11 O ATOM 1235 CB ARG A 74 3.141 18.525 -2.185 1.00 2.44 C ATOM 1236 CG ARG A 74 4.078 18.554 -0.989 1.00 44.01 C ATOM 1237 CD ARG A 74 4.923 19.817 -0.972 1.00 31.42 C ATOM 1238 NE ARG A 74 5.559 20.034 0.324 1.00 24.15 N ATOM 1239 CZ ARG A 74 6.415 21.021 0.568 1.00 21.10 C ATOM 1240 NH1 ARG A 74 6.735 21.878 -0.393 1.00 73.23 N ATOM 1241 NH2 ARG A 74 6.952 21.152 1.773 1.00 24.01 N ATOM 0 H ARG A 74 2.039 18.636 -4.495 1.00 74.44 H new ATOM 0 HA ARG A 74 4.804 18.757 -3.527 1.00 1.31 H new ATOM 0 HB2 ARG A 74 2.629 19.485 -2.258 1.00 2.44 H new ATOM 0 HB3 ARG A 74 2.375 17.767 -2.018 1.00 2.44 H new ATOM 0 HG2 ARG A 74 3.497 18.492 -0.069 1.00 44.01 H new ATOM 0 HG3 ARG A 74 4.729 17.680 -1.015 1.00 44.01 H new ATOM 0 HD2 ARG A 74 5.689 19.751 -1.745 1.00 31.42 H new ATOM 0 HD3 ARG A 74 4.297 20.675 -1.216 1.00 31.42 H new ATOM 0 HE ARG A 74 5.334 19.393 1.084 1.00 24.15 H new ATOM 0 HH11 ARG A 74 6.324 21.780 -1.321 1.00 73.23 H new ATOM 0 HH12 ARG A 74 7.392 22.635 -0.203 1.00 73.23 H new ATOM 0 HH21 ARG A 74 6.708 20.495 2.514 1.00 24.01 H new ATOM 0 HH22 ARG A 74 7.609 21.910 1.959 1.00 24.01 H new ATOM 1255 N THR A 75 5.320 16.320 -3.286 1.00 45.10 N ATOM 1256 CA THR A 75 5.699 14.914 -3.365 1.00 13.44 C ATOM 1257 C THR A 75 6.007 14.348 -1.983 1.00 11.02 C ATOM 1258 O THR A 75 6.796 14.918 -1.232 1.00 1.11 O ATOM 1259 CB THR A 75 6.925 14.713 -4.275 1.00 15.54 C ATOM 1260 OG1 THR A 75 7.991 15.572 -3.858 1.00 25.24 O ATOM 1261 CG2 THR A 75 6.575 15.003 -5.727 1.00 74.11 C ATOM 0 H THR A 75 6.056 16.936 -2.941 1.00 45.10 H new ATOM 0 HA THR A 75 4.849 14.381 -3.791 1.00 13.44 H new ATOM 0 HB THR A 75 7.242 13.673 -4.194 1.00 15.54 H new ATOM 0 HG1 THR A 75 8.017 15.610 -2.879 1.00 25.24 H new ATOM 0 HG21 THR A 75 7.457 14.854 -6.350 1.00 74.11 H new ATOM 0 HG22 THR A 75 5.783 14.329 -6.052 1.00 74.11 H new ATOM 0 HG23 THR A 75 6.234 16.034 -5.820 1.00 74.11 H new ATOM 1269 N GLY A 76 5.378 13.224 -1.656 1.00 22.51 N ATOM 1270 CA GLY A 76 5.600 12.601 -0.365 1.00 63.32 C ATOM 1271 C GLY A 76 5.726 11.093 -0.463 1.00 71.14 C ATOM 1272 O GLY A 76 5.695 10.531 -1.557 1.00 42.45 O ATOM 0 H GLY A 76 4.719 12.734 -2.261 1.00 22.51 H new ATOM 0 HA2 GLY A 76 6.506 13.010 0.081 1.00 63.32 H new ATOM 0 HA3 GLY A 76 4.775 12.851 0.302 1.00 63.32 H new ATOM 1276 N TYR A 77 5.871 10.437 0.683 1.00 50.05 N ATOM 1277 CA TYR A 77 6.007 8.986 0.721 1.00 11.31 C ATOM 1278 C TYR A 77 4.803 8.344 1.403 1.00 74.23 C ATOM 1279 O TYR A 77 4.211 8.920 2.316 1.00 63.21 O ATOM 1280 CB TYR A 77 7.291 8.592 1.453 1.00 53.32 C ATOM 1281 CG TYR A 77 8.535 8.717 0.602 1.00 3.42 C ATOM 1282 CD1 TYR A 77 8.830 7.776 -0.376 1.00 72.25 C ATOM 1283 CD2 TYR A 77 9.415 9.779 0.775 1.00 61.10 C ATOM 1284 CE1 TYR A 77 9.965 7.886 -1.155 1.00 23.35 C ATOM 1285 CE2 TYR A 77 10.552 9.898 0.000 1.00 63.13 C ATOM 1286 CZ TYR A 77 10.823 8.948 -0.963 1.00 5.41 C ATOM 1287 OH TYR A 77 11.955 9.063 -1.738 1.00 34.44 O ATOM 0 H TYR A 77 5.897 10.887 1.598 1.00 50.05 H new ATOM 0 HA TYR A 77 6.056 8.624 -0.306 1.00 11.31 H new ATOM 0 HB2 TYR A 77 7.402 9.219 2.338 1.00 53.32 H new ATOM 0 HB3 TYR A 77 7.200 7.563 1.800 1.00 53.32 H new ATOM 0 HD1 TYR A 77 8.160 6.943 -0.530 1.00 72.25 H new ATOM 0 HD2 TYR A 77 9.206 10.524 1.528 1.00 61.10 H new ATOM 0 HE1 TYR A 77 10.179 7.144 -1.910 1.00 23.35 H new ATOM 0 HE2 TYR A 77 11.225 10.730 0.147 1.00 63.13 H new ATOM 0 HH TYR A 77 12.450 9.867 -1.476 1.00 34.44 H new ATOM 1297 N VAL A 78 4.445 7.145 0.953 1.00 11.44 N ATOM 1298 CA VAL A 78 3.313 6.421 1.519 1.00 65.13 C ATOM 1299 C VAL A 78 3.491 4.915 1.364 1.00 10.35 C ATOM 1300 O VAL A 78 4.107 4.432 0.416 1.00 41.21 O ATOM 1301 CB VAL A 78 1.989 6.843 0.854 1.00 71.42 C ATOM 1302 CG1 VAL A 78 1.676 8.299 1.163 1.00 14.50 C ATOM 1303 CG2 VAL A 78 2.049 6.607 -0.648 1.00 35.23 C ATOM 0 H VAL A 78 4.923 6.654 0.197 1.00 11.44 H new ATOM 0 HA VAL A 78 3.274 6.671 2.579 1.00 65.13 H new ATOM 0 HB VAL A 78 1.185 6.230 1.263 1.00 71.42 H new ATOM 0 HG11 VAL A 78 0.737 8.579 0.685 1.00 14.50 H new ATOM 0 HG12 VAL A 78 1.587 8.431 2.241 1.00 14.50 H new ATOM 0 HG13 VAL A 78 2.479 8.932 0.785 1.00 14.50 H new ATOM 0 HG21 VAL A 78 1.106 6.910 -1.102 1.00 35.23 H new ATOM 0 HG22 VAL A 78 2.863 7.193 -1.076 1.00 35.23 H new ATOM 0 HG23 VAL A 78 2.222 5.549 -0.843 1.00 35.23 H new ATOM 1313 N PRO A 79 2.936 4.152 2.319 1.00 3.44 N ATOM 1314 CA PRO A 79 3.019 2.689 2.312 1.00 1.32 C ATOM 1315 C PRO A 79 2.186 2.068 1.196 1.00 44.24 C ATOM 1316 O PRO A 79 0.981 2.297 1.106 1.00 11.42 O ATOM 1317 CB PRO A 79 2.458 2.294 3.680 1.00 3.32 C ATOM 1318 CG PRO A 79 1.564 3.423 4.062 1.00 14.13 C ATOM 1319 CD PRO A 79 2.187 4.662 3.481 1.00 71.00 C ATOM 0 HA PRO A 79 4.037 2.339 2.137 1.00 1.32 H new ATOM 0 HB2 PRO A 79 1.908 1.354 3.626 1.00 3.32 H new ATOM 0 HB3 PRO A 79 3.255 2.156 4.410 1.00 3.32 H new ATOM 0 HG2 PRO A 79 0.558 3.273 3.671 1.00 14.13 H new ATOM 0 HG3 PRO A 79 1.477 3.502 5.146 1.00 14.13 H new ATOM 0 HD2 PRO A 79 1.432 5.391 3.185 1.00 71.00 H new ATOM 0 HD3 PRO A 79 2.843 5.156 4.197 1.00 71.00 H new ATOM 1327 N SER A 80 2.837 1.280 0.346 1.00 3.24 N ATOM 1328 CA SER A 80 2.157 0.629 -0.767 1.00 33.41 C ATOM 1329 C SER A 80 1.021 -0.257 -0.266 1.00 1.42 C ATOM 1330 O SER A 80 0.116 -0.611 -1.020 1.00 75.01 O ATOM 1331 CB SER A 80 3.149 -0.208 -1.579 1.00 11.21 C ATOM 1332 OG SER A 80 3.568 -1.349 -0.853 1.00 60.13 O ATOM 0 H SER A 80 3.835 1.077 0.407 1.00 3.24 H new ATOM 0 HA SER A 80 1.736 1.405 -1.407 1.00 33.41 H new ATOM 0 HB2 SER A 80 2.686 -0.519 -2.515 1.00 11.21 H new ATOM 0 HB3 SER A 80 4.016 0.400 -1.838 1.00 11.21 H new ATOM 0 HG SER A 80 4.463 -1.193 -0.487 1.00 60.13 H new ATOM 1338 N ASN A 81 1.075 -0.610 1.016 1.00 14.32 N ATOM 1339 CA ASN A 81 0.050 -1.455 1.619 1.00 41.03 C ATOM 1340 C ASN A 81 -1.270 -0.701 1.747 1.00 21.22 C ATOM 1341 O ASN A 81 -2.346 -1.294 1.663 1.00 0.53 O ATOM 1342 CB ASN A 81 0.508 -1.942 2.995 1.00 71.31 C ATOM 1343 CG ASN A 81 1.394 -3.170 2.909 1.00 43.04 C ATOM 1344 OD1 ASN A 81 1.802 -3.578 1.822 1.00 51.22 O ATOM 1345 ND2 ASN A 81 1.695 -3.763 4.057 1.00 65.53 N ATOM 0 H ASN A 81 1.816 -0.324 1.655 1.00 14.32 H new ATOM 0 HA ASN A 81 -0.106 -2.316 0.969 1.00 41.03 H new ATOM 0 HB2 ASN A 81 1.049 -1.141 3.499 1.00 71.31 H new ATOM 0 HB3 ASN A 81 -0.365 -2.170 3.606 1.00 71.31 H new ATOM 0 HD21 ASN A 81 2.288 -4.593 4.062 1.00 65.53 H new ATOM 0 HD22 ASN A 81 1.334 -3.389 4.934 1.00 65.53 H new ATOM 1352 N TYR A 82 -1.179 0.608 1.952 1.00 11.03 N ATOM 1353 CA TYR A 82 -2.365 1.444 2.093 1.00 34.03 C ATOM 1354 C TYR A 82 -2.764 2.057 0.754 1.00 73.05 C ATOM 1355 O TYR A 82 -3.709 2.842 0.673 1.00 73.20 O ATOM 1356 CB TYR A 82 -2.117 2.551 3.119 1.00 4.12 C ATOM 1357 CG TYR A 82 -1.933 2.039 4.529 1.00 5.52 C ATOM 1358 CD1 TYR A 82 -0.772 1.371 4.900 1.00 34.54 C ATOM 1359 CD2 TYR A 82 -2.918 2.225 5.491 1.00 22.42 C ATOM 1360 CE1 TYR A 82 -0.600 0.900 6.188 1.00 5.21 C ATOM 1361 CE2 TYR A 82 -2.753 1.758 6.781 1.00 13.42 C ATOM 1362 CZ TYR A 82 -1.593 1.097 7.125 1.00 5.24 C ATOM 1363 OH TYR A 82 -1.425 0.632 8.409 1.00 24.20 O ATOM 0 H TYR A 82 -0.296 1.113 2.024 1.00 11.03 H new ATOM 0 HA TYR A 82 -3.182 0.812 2.440 1.00 34.03 H new ATOM 0 HB2 TYR A 82 -1.230 3.113 2.827 1.00 4.12 H new ATOM 0 HB3 TYR A 82 -2.956 3.247 3.101 1.00 4.12 H new ATOM 0 HD1 TYR A 82 0.009 1.217 4.170 1.00 34.54 H new ATOM 0 HD2 TYR A 82 -3.828 2.743 5.226 1.00 22.42 H new ATOM 0 HE1 TYR A 82 0.307 0.380 6.459 1.00 5.21 H new ATOM 0 HE2 TYR A 82 -3.529 1.910 7.516 1.00 13.42 H new ATOM 0 HH TYR A 82 -1.523 -0.343 8.419 1.00 24.20 H new ATOM 1373 N VAL A 83 -2.037 1.690 -0.297 1.00 23.23 N ATOM 1374 CA VAL A 83 -2.313 2.201 -1.634 1.00 32.52 C ATOM 1375 C VAL A 83 -2.465 1.063 -2.636 1.00 54.34 C ATOM 1376 O VAL A 83 -2.001 -0.051 -2.400 1.00 24.43 O ATOM 1377 CB VAL A 83 -1.198 3.149 -2.114 1.00 50.05 C ATOM 1378 CG1 VAL A 83 -0.141 2.378 -2.890 1.00 62.31 C ATOM 1379 CG2 VAL A 83 -1.781 4.269 -2.962 1.00 3.33 C ATOM 0 H VAL A 83 -1.252 1.040 -0.248 1.00 23.23 H new ATOM 0 HA VAL A 83 -3.249 2.756 -1.574 1.00 32.52 H new ATOM 0 HB VAL A 83 -0.722 3.595 -1.241 1.00 50.05 H new ATOM 0 HG11 VAL A 83 0.639 3.063 -3.222 1.00 62.31 H new ATOM 0 HG12 VAL A 83 0.296 1.614 -2.248 1.00 62.31 H new ATOM 0 HG13 VAL A 83 -0.600 1.904 -3.757 1.00 62.31 H new ATOM 0 HG21 VAL A 83 -0.980 4.930 -3.293 1.00 3.33 H new ATOM 0 HG22 VAL A 83 -2.283 3.844 -3.831 1.00 3.33 H new ATOM 0 HG23 VAL A 83 -2.499 4.837 -2.370 1.00 3.33 H new ATOM 1389 N GLU A 84 -3.119 1.352 -3.758 1.00 24.01 N ATOM 1390 CA GLU A 84 -3.332 0.351 -4.797 1.00 35.44 C ATOM 1391 C GLU A 84 -3.657 1.015 -6.132 1.00 24.53 C ATOM 1392 O GLU A 84 -4.716 1.620 -6.296 1.00 30.44 O ATOM 1393 CB GLU A 84 -4.465 -0.597 -4.397 1.00 64.33 C ATOM 1394 CG GLU A 84 -4.477 -1.895 -5.187 1.00 33.42 C ATOM 1395 CD GLU A 84 -4.999 -3.067 -4.375 1.00 42.31 C ATOM 1396 OE1 GLU A 84 -4.282 -3.514 -3.455 1.00 74.12 O ATOM 1397 OE2 GLU A 84 -6.121 -3.534 -4.660 1.00 64.12 O ATOM 0 H GLU A 84 -3.510 2.270 -3.970 1.00 24.01 H new ATOM 0 HA GLU A 84 -2.411 -0.222 -4.910 1.00 35.44 H new ATOM 0 HB2 GLU A 84 -4.377 -0.828 -3.335 1.00 64.33 H new ATOM 0 HB3 GLU A 84 -5.419 -0.088 -4.535 1.00 64.33 H new ATOM 0 HG2 GLU A 84 -5.095 -1.769 -6.076 1.00 33.42 H new ATOM 0 HG3 GLU A 84 -3.466 -2.117 -5.530 1.00 33.42 H new ATOM 1404 N ARG A 85 -2.737 0.894 -7.083 1.00 13.51 N ATOM 1405 CA ARG A 85 -2.923 1.485 -8.404 1.00 74.42 C ATOM 1406 C ARG A 85 -4.100 0.834 -9.128 1.00 50.30 C ATOM 1407 O ARG A 85 -4.534 -0.262 -8.773 1.00 4.31 O ATOM 1408 CB ARG A 85 -1.650 1.331 -9.239 1.00 22.53 C ATOM 1409 CG ARG A 85 -1.181 -0.107 -9.376 1.00 32.35 C ATOM 1410 CD ARG A 85 -1.843 -0.800 -10.557 1.00 23.54 C ATOM 1411 NE ARG A 85 -2.616 -1.968 -10.143 1.00 65.31 N ATOM 1412 CZ ARG A 85 -3.036 -2.906 -10.984 1.00 64.22 C ATOM 1413 NH1 ARG A 85 -2.758 -2.815 -12.277 1.00 23.42 N ATOM 1414 NH2 ARG A 85 -3.735 -3.940 -10.531 1.00 52.10 N ATOM 0 H ARG A 85 -1.856 0.393 -6.965 1.00 13.51 H new ATOM 0 HA ARG A 85 -3.138 2.546 -8.274 1.00 74.42 H new ATOM 0 HB2 ARG A 85 -1.826 1.743 -10.233 1.00 22.53 H new ATOM 0 HB3 ARG A 85 -0.854 1.922 -8.785 1.00 22.53 H new ATOM 0 HG2 ARG A 85 -0.098 -0.127 -9.501 1.00 32.35 H new ATOM 0 HG3 ARG A 85 -1.406 -0.653 -8.460 1.00 32.35 H new ATOM 0 HD2 ARG A 85 -2.497 -0.096 -11.070 1.00 23.54 H new ATOM 0 HD3 ARG A 85 -1.080 -1.106 -11.273 1.00 23.54 H new ATOM 0 HE ARG A 85 -2.846 -2.069 -9.154 1.00 65.31 H new ATOM 0 HH11 ARG A 85 -2.220 -2.023 -12.628 1.00 23.42 H new ATOM 0 HH12 ARG A 85 -3.082 -3.537 -12.920 1.00 23.42 H new ATOM 0 HH21 ARG A 85 -3.950 -4.014 -9.537 1.00 52.10 H new ATOM 0 HH22 ARG A 85 -4.057 -4.660 -11.177 1.00 52.10 H new ATOM 1428 N LYS A 86 -4.613 1.517 -10.145 1.00 22.15 N ATOM 1429 CA LYS A 86 -5.738 1.009 -10.921 1.00 64.42 C ATOM 1430 C LYS A 86 -6.899 0.627 -10.008 1.00 62.40 C ATOM 1431 O LYS A 86 -7.181 -0.554 -9.810 1.00 70.44 O ATOM 1432 CB LYS A 86 -5.306 -0.203 -11.750 1.00 20.41 C ATOM 1433 CG LYS A 86 -6.358 -0.667 -12.742 1.00 63.14 C ATOM 1434 CD LYS A 86 -6.038 -0.199 -14.152 1.00 55.13 C ATOM 1435 CE LYS A 86 -7.162 -0.539 -15.120 1.00 61.23 C ATOM 1436 NZ LYS A 86 -7.171 -1.987 -15.473 1.00 33.25 N ATOM 0 H LYS A 86 -4.267 2.426 -10.452 1.00 22.15 H new ATOM 0 HA LYS A 86 -6.072 1.800 -11.593 1.00 64.42 H new ATOM 0 HB2 LYS A 86 -4.393 0.044 -12.291 1.00 20.41 H new ATOM 0 HB3 LYS A 86 -5.065 -1.026 -11.077 1.00 20.41 H new ATOM 0 HG2 LYS A 86 -6.422 -1.755 -12.724 1.00 63.14 H new ATOM 0 HG3 LYS A 86 -7.335 -0.286 -12.444 1.00 63.14 H new ATOM 0 HD2 LYS A 86 -5.871 0.878 -14.150 1.00 55.13 H new ATOM 0 HD3 LYS A 86 -5.112 -0.664 -14.490 1.00 55.13 H new ATOM 0 HE2 LYS A 86 -8.119 -0.268 -14.675 1.00 61.23 H new ATOM 0 HE3 LYS A 86 -7.052 0.055 -16.027 1.00 61.23 H new ATOM 0 HZ1 LYS A 86 -7.951 -2.178 -16.134 1.00 33.25 H new ATOM 0 HZ2 LYS A 86 -6.267 -2.241 -15.921 1.00 33.25 H new ATOM 0 HZ3 LYS A 86 -7.301 -2.554 -14.611 1.00 33.25 H new TER 1450 LYS A 86