USER MOD reduce.3.24.130724 H: found=0, std=0, add=793, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 793 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 39 GLN : amide:sc= -1.51 K(o=-1.1,f=-9.9!) USER MOD Set 1.2: A 82 GLN : amide:sc= 0.429 K(o=-1.1,f=-1.9) USER MOD Set 2.1: A 14 THR OG1 : rot 140:sc= 0.583 USER MOD Set 2.2: A 60 LYS NZ :NH3+ 168:sc= 1.51 (180deg=0.735) USER MOD Set 3.1: A 10 CYS SG : rot -69:sc= -0.94 USER MOD Set 3.2: A 11 SER OG : rot 57:sc= 1.17 USER MOD Set 3.3: A 93 HIS : no HD1:sc= -1.15 K(o=-0.92,f=-11!) USER MOD Single : A 1 MET CE :methyl -168:sc= 0 (180deg=-0.27) USER MOD Single : A 1 MET N :NH3+ 156:sc= 0.645! (180deg=-0.763!) USER MOD Single : A 4 LYS NZ :NH3+ -167:sc= -0.0126 (180deg=-0.22) USER MOD Single : A 7 HIS : no HD1:sc= -0.177 X(o=-0.18,f=-0.34) USER MOD Single : A 16 GLN : amide:sc= -1.29 K(o=-1.3,f=-0.56) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ -171:sc=-0.00846 (180deg=-0.0917) USER MOD Single : A 30 ASN : amide:sc= -1.37 K(o=-1.4,f=-5.1!) USER MOD Single : A 31 LYS NZ :NH3+ -119:sc= 1.26 (180deg=-0.39) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot -42:sc= 0.867 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 46 GLN : amide:sc= -1.82! C(o=-1.8!,f=-6.5!) USER MOD Single : A 47 ASN : amide:sc= -0.257 X(o=-0.26,f=-0.00078) USER MOD Single : A 48 GLN : amide:sc= -1.21 K(o=-1.2,f=-6.1!) USER MOD Single : A 49 SER OG : rot 30:sc= 0.464 USER MOD Single : A 51 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 56 THR OG1 : rot 110:sc= 1.4 USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 80 THR OG1 : rot -172:sc= 0.368 USER MOD Single : A 85 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 HIS : no HD1:sc= -0.683 X(o=-0.68,f=-0.41) USER MOD Single : A 94 HIS : no HD1:sc= -0.619 X(o=-0.62,f=-0.41) USER MOD Single : A 95 HIS : no HE2:sc= -0.58 K(o=-0.58,f=-2.5!) USER MOD Single : A 96 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 97 HIS : no HD1:sc= 0 X(o=0,f=-0.0022) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 10.110 -2.525 -15.300 1.00 11.11 N ATOM 2 CA MET A 1 8.631 -2.664 -15.198 1.00 3.23 C ATOM 3 C MET A 1 7.973 -2.624 -16.586 1.00 21.13 C ATOM 4 O MET A 1 7.718 -1.551 -17.132 1.00 53.41 O ATOM 5 CB MET A 1 8.053 -1.551 -14.309 1.00 30.14 C ATOM 6 CG MET A 1 8.640 -1.523 -12.905 1.00 42.32 C ATOM 7 SD MET A 1 10.426 -1.278 -12.907 1.00 60.21 S ATOM 8 CE MET A 1 10.785 -1.326 -11.151 1.00 35.32 C ATOM 0 H1 MET A 1 10.486 -2.154 -14.404 1.00 11.11 H new ATOM 0 H2 MET A 1 10.533 -3.455 -15.495 1.00 11.11 H new ATOM 0 H3 MET A 1 10.345 -1.869 -16.072 1.00 11.11 H new ATOM 0 HA MET A 1 8.414 -3.632 -14.746 1.00 3.23 H new ATOM 0 HB2 MET A 1 8.230 -0.587 -14.787 1.00 30.14 H new ATOM 0 HB3 MET A 1 6.973 -1.678 -14.239 1.00 30.14 H new ATOM 0 HG2 MET A 1 8.168 -0.724 -12.333 1.00 42.32 H new ATOM 0 HG3 MET A 1 8.406 -2.459 -12.398 1.00 42.32 H new ATOM 0 HE1 MET A 1 11.804 -0.980 -10.978 1.00 35.32 H new ATOM 0 HE2 MET A 1 10.087 -0.679 -10.619 1.00 35.32 H new ATOM 0 HE3 MET A 1 10.682 -2.348 -10.786 1.00 35.32 H new ATOM 20 N ASP A 2 7.719 -3.799 -17.164 1.00 54.30 N ATOM 21 CA ASP A 2 7.108 -3.895 -18.498 1.00 64.44 C ATOM 22 C ASP A 2 5.577 -4.024 -18.415 1.00 55.23 C ATOM 23 O ASP A 2 5.057 -5.026 -17.925 1.00 34.31 O ATOM 24 CB ASP A 2 7.685 -5.097 -19.252 1.00 5.20 C ATOM 25 CG ASP A 2 9.180 -4.978 -19.466 1.00 54.40 C ATOM 26 OD1 ASP A 2 9.947 -5.440 -18.597 1.00 21.10 O ATOM 27 OD2 ASP A 2 9.592 -4.406 -20.495 1.00 2.33 O ATOM 0 H ASP A 2 7.926 -4.700 -16.732 1.00 54.30 H new ATOM 0 HA ASP A 2 7.340 -2.975 -19.035 1.00 64.44 H new ATOM 0 HB2 ASP A 2 7.471 -6.009 -18.695 1.00 5.20 H new ATOM 0 HB3 ASP A 2 7.188 -5.190 -20.218 1.00 5.20 H new ATOM 32 N ARG A 3 4.862 -3.007 -18.901 1.00 23.04 N ATOM 33 CA ARG A 3 3.392 -3.033 -18.914 1.00 31.13 C ATOM 34 C ARG A 3 2.858 -3.620 -20.238 1.00 64.05 C ATOM 35 O ARG A 3 1.814 -4.275 -20.265 1.00 51.33 O ATOM 36 CB ARG A 3 2.827 -1.616 -18.695 1.00 24.02 C ATOM 37 CG ARG A 3 2.957 -0.691 -19.905 1.00 52.01 C ATOM 38 CD ARG A 3 2.546 0.739 -19.573 1.00 73.33 C ATOM 39 NE ARG A 3 3.513 1.392 -18.694 1.00 23.13 N ATOM 40 CZ ARG A 3 3.212 2.284 -17.793 1.00 41.21 C ATOM 41 NH1 ARG A 3 1.979 2.609 -17.567 1.00 34.20 N ATOM 42 NH2 ARG A 3 4.152 2.844 -17.105 1.00 62.23 N ATOM 0 H ARG A 3 5.272 -2.158 -19.290 1.00 23.04 H new ATOM 0 HA ARG A 3 3.061 -3.676 -18.098 1.00 31.13 H new ATOM 0 HB2 ARG A 3 1.774 -1.696 -18.425 1.00 24.02 H new ATOM 0 HB3 ARG A 3 3.340 -1.160 -17.848 1.00 24.02 H new ATOM 0 HG2 ARG A 3 3.988 -0.700 -20.260 1.00 52.01 H new ATOM 0 HG3 ARG A 3 2.337 -1.068 -20.718 1.00 52.01 H new ATOM 0 HD2 ARG A 3 2.448 1.312 -20.495 1.00 73.33 H new ATOM 0 HD3 ARG A 3 1.566 0.734 -19.095 1.00 73.33 H new ATOM 0 HE ARG A 3 4.494 1.131 -18.793 1.00 23.13 H new ATOM 0 HH11 ARG A 3 1.229 2.165 -18.097 1.00 34.20 H new ATOM 0 HH12 ARG A 3 1.758 3.309 -16.859 1.00 34.20 H new ATOM 0 HH21 ARG A 3 5.126 2.587 -17.268 1.00 62.23 H new ATOM 0 HH22 ARG A 3 3.920 3.543 -16.399 1.00 62.23 H new ATOM 56 N LYS A 4 3.586 -3.387 -21.333 1.00 31.30 N ATOM 57 CA LYS A 4 3.185 -3.885 -22.659 1.00 42.43 C ATOM 58 C LYS A 4 3.218 -5.420 -22.731 1.00 11.01 C ATOM 59 O LYS A 4 2.456 -6.031 -23.482 1.00 55.42 O ATOM 60 CB LYS A 4 4.070 -3.280 -23.759 1.00 61.25 C ATOM 61 CG LYS A 4 3.816 -1.794 -24.005 1.00 71.11 C ATOM 62 CD LYS A 4 4.661 -1.260 -25.160 1.00 24.52 C ATOM 63 CE LYS A 4 6.148 -1.261 -24.823 1.00 15.20 C ATOM 64 NZ LYS A 4 6.461 -0.336 -23.706 1.00 34.31 N ATOM 0 H LYS A 4 4.457 -2.857 -21.331 1.00 31.30 H new ATOM 0 HA LYS A 4 2.155 -3.569 -22.822 1.00 42.43 H new ATOM 0 HB2 LYS A 4 5.117 -3.421 -23.489 1.00 61.25 H new ATOM 0 HB3 LYS A 4 3.904 -3.826 -24.688 1.00 61.25 H new ATOM 0 HG2 LYS A 4 2.760 -1.637 -24.224 1.00 71.11 H new ATOM 0 HG3 LYS A 4 4.041 -1.231 -23.099 1.00 71.11 H new ATOM 0 HD2 LYS A 4 4.489 -1.869 -26.048 1.00 24.52 H new ATOM 0 HD3 LYS A 4 4.344 -0.246 -25.403 1.00 24.52 H new ATOM 0 HE2 LYS A 4 6.460 -2.271 -24.557 1.00 15.20 H new ATOM 0 HE3 LYS A 4 6.721 -0.973 -25.705 1.00 15.20 H new ATOM 0 HZ1 LYS A 4 7.490 -0.195 -23.650 1.00 34.31 H new ATOM 0 HZ2 LYS A 4 5.995 0.579 -23.872 1.00 34.31 H new ATOM 0 HZ3 LYS A 4 6.118 -0.742 -22.812 1.00 34.31 H new ATOM 78 N LEU A 5 4.093 -6.042 -21.947 1.00 11.22 N ATOM 79 CA LEU A 5 4.158 -7.510 -21.870 1.00 45.41 C ATOM 80 C LEU A 5 2.952 -8.084 -21.100 1.00 73.22 C ATOM 81 O LEU A 5 2.738 -9.296 -21.069 1.00 34.04 O ATOM 82 CB LEU A 5 5.481 -7.957 -21.219 1.00 24.05 C ATOM 83 CG LEU A 5 6.718 -7.944 -22.143 1.00 21.14 C ATOM 84 CD1 LEU A 5 6.546 -8.949 -23.282 1.00 61.11 C ATOM 85 CD2 LEU A 5 6.985 -6.544 -22.697 1.00 51.32 C ATOM 0 H LEU A 5 4.769 -5.560 -21.354 1.00 11.22 H new ATOM 0 HA LEU A 5 4.120 -7.902 -22.886 1.00 45.41 H new ATOM 0 HB2 LEU A 5 5.681 -7.310 -20.365 1.00 24.05 H new ATOM 0 HB3 LEU A 5 5.351 -8.967 -20.831 1.00 24.05 H new ATOM 0 HG LEU A 5 7.583 -8.236 -21.547 1.00 21.14 H new ATOM 0 HD11 LEU A 5 7.427 -8.926 -23.923 1.00 61.11 H new ATOM 0 HD12 LEU A 5 6.424 -9.950 -22.869 1.00 61.11 H new ATOM 0 HD13 LEU A 5 5.664 -8.688 -23.867 1.00 61.11 H new ATOM 0 HD21 LEU A 5 7.862 -6.570 -23.343 1.00 51.32 H new ATOM 0 HD22 LEU A 5 6.121 -6.209 -23.271 1.00 51.32 H new ATOM 0 HD23 LEU A 5 7.162 -5.854 -21.872 1.00 51.32 H new ATOM 97 N LEU A 6 2.173 -7.201 -20.478 1.00 61.45 N ATOM 98 CA LEU A 6 0.936 -7.583 -19.783 1.00 53.32 C ATOM 99 C LEU A 6 -0.293 -6.960 -20.475 1.00 24.35 C ATOM 100 O LEU A 6 -1.380 -6.887 -19.903 1.00 41.25 O ATOM 101 CB LEU A 6 1.007 -7.133 -18.315 1.00 13.23 C ATOM 102 CG LEU A 6 2.187 -7.707 -17.509 1.00 63.11 C ATOM 103 CD1 LEU A 6 2.220 -7.124 -16.097 1.00 35.40 C ATOM 104 CD2 LEU A 6 2.115 -9.234 -17.460 1.00 35.23 C ATOM 0 H LEU A 6 2.377 -6.202 -20.439 1.00 61.45 H new ATOM 0 HA LEU A 6 0.833 -8.667 -19.821 1.00 53.32 H new ATOM 0 HB2 LEU A 6 1.064 -6.045 -18.288 1.00 13.23 H new ATOM 0 HB3 LEU A 6 0.078 -7.416 -17.820 1.00 13.23 H new ATOM 0 HG LEU A 6 3.110 -7.422 -18.014 1.00 63.11 H new ATOM 0 HD11 LEU A 6 3.063 -7.546 -15.549 1.00 35.40 H new ATOM 0 HD12 LEU A 6 2.329 -6.041 -16.153 1.00 35.40 H new ATOM 0 HD13 LEU A 6 1.292 -7.369 -15.580 1.00 35.40 H new ATOM 0 HD21 LEU A 6 2.958 -9.620 -16.886 1.00 35.23 H new ATOM 0 HD22 LEU A 6 1.182 -9.539 -16.985 1.00 35.23 H new ATOM 0 HD23 LEU A 6 2.154 -9.633 -18.474 1.00 35.23 H new ATOM 116 N HIS A 7 -0.104 -6.528 -21.723 1.00 62.44 N ATOM 117 CA HIS A 7 -1.163 -5.858 -22.497 1.00 54.50 C ATOM 118 C HIS A 7 -2.029 -6.870 -23.278 1.00 73.14 C ATOM 119 O HIS A 7 -2.921 -6.485 -24.036 1.00 1.52 O ATOM 120 CB HIS A 7 -0.528 -4.845 -23.462 1.00 4.41 C ATOM 121 CG HIS A 7 -1.509 -3.911 -24.113 1.00 70.13 C ATOM 122 ND1 HIS A 7 -1.929 -4.043 -25.421 1.00 2.33 N ATOM 123 CD2 HIS A 7 -2.136 -2.813 -23.632 1.00 34.34 C ATOM 124 CE1 HIS A 7 -2.769 -3.067 -25.710 1.00 53.32 C ATOM 125 NE2 HIS A 7 -2.910 -2.308 -24.644 1.00 34.13 N ATOM 0 H HIS A 7 0.777 -6.629 -22.226 1.00 62.44 H new ATOM 0 HA HIS A 7 -1.820 -5.340 -21.798 1.00 54.50 H new ATOM 0 HB2 HIS A 7 0.210 -4.256 -22.918 1.00 4.41 H new ATOM 0 HB3 HIS A 7 0.009 -5.389 -24.239 1.00 4.41 H new ATOM 0 HD2 HIS A 7 -2.044 -2.409 -22.635 1.00 34.34 H new ATOM 0 HE1 HIS A 7 -3.258 -2.916 -26.661 1.00 53.32 H new ATOM 0 HE2 HIS A 7 -3.500 -1.478 -24.581 1.00 34.13 H new ATOM 134 N LEU A 8 -1.756 -8.161 -23.095 1.00 50.31 N ATOM 135 CA LEU A 8 -2.481 -9.224 -23.802 1.00 30.23 C ATOM 136 C LEU A 8 -3.835 -9.530 -23.136 1.00 11.22 C ATOM 137 O LEU A 8 -3.986 -9.411 -21.920 1.00 10.23 O ATOM 138 CB LEU A 8 -1.624 -10.499 -23.854 1.00 53.34 C ATOM 139 CG LEU A 8 -2.251 -11.691 -24.603 1.00 64.54 C ATOM 140 CD1 LEU A 8 -2.505 -11.344 -26.069 1.00 32.02 C ATOM 141 CD2 LEU A 8 -1.373 -12.936 -24.483 1.00 71.34 C ATOM 0 H LEU A 8 -1.034 -8.501 -22.460 1.00 50.31 H new ATOM 0 HA LEU A 8 -2.679 -8.874 -24.815 1.00 30.23 H new ATOM 0 HB2 LEU A 8 -0.672 -10.257 -24.326 1.00 53.34 H new ATOM 0 HB3 LEU A 8 -1.404 -10.810 -22.833 1.00 53.34 H new ATOM 0 HG LEU A 8 -3.212 -11.910 -24.137 1.00 64.54 H new ATOM 0 HD11 LEU A 8 -2.948 -12.202 -26.575 1.00 32.02 H new ATOM 0 HD12 LEU A 8 -3.187 -10.496 -26.129 1.00 32.02 H new ATOM 0 HD13 LEU A 8 -1.562 -11.086 -26.551 1.00 32.02 H new ATOM 0 HD21 LEU A 8 -1.838 -13.762 -25.020 1.00 71.34 H new ATOM 0 HD22 LEU A 8 -0.392 -12.732 -24.911 1.00 71.34 H new ATOM 0 HD23 LEU A 8 -1.262 -13.203 -23.432 1.00 71.34 H new ATOM 153 N LEU A 9 -4.814 -9.925 -23.949 1.00 13.44 N ATOM 154 CA LEU A 9 -6.144 -10.305 -23.456 1.00 71.41 C ATOM 155 C LEU A 9 -6.055 -11.447 -22.425 1.00 42.31 C ATOM 156 O LEU A 9 -5.465 -12.498 -22.688 1.00 55.21 O ATOM 157 CB LEU A 9 -7.030 -10.716 -24.652 1.00 25.01 C ATOM 158 CG LEU A 9 -8.540 -10.924 -24.370 1.00 14.32 C ATOM 159 CD1 LEU A 9 -9.336 -10.873 -25.673 1.00 54.43 C ATOM 160 CD2 LEU A 9 -8.809 -12.251 -23.653 1.00 53.31 C ATOM 0 H LEU A 9 -4.712 -9.992 -24.962 1.00 13.44 H new ATOM 0 HA LEU A 9 -6.590 -9.448 -22.951 1.00 71.41 H new ATOM 0 HB2 LEU A 9 -6.932 -9.953 -25.424 1.00 25.01 H new ATOM 0 HB3 LEU A 9 -6.632 -11.642 -25.066 1.00 25.01 H new ATOM 0 HG LEU A 9 -8.861 -10.115 -23.714 1.00 14.32 H new ATOM 0 HD11 LEU A 9 -10.394 -11.021 -25.459 1.00 54.43 H new ATOM 0 HD12 LEU A 9 -9.194 -9.902 -26.148 1.00 54.43 H new ATOM 0 HD13 LEU A 9 -8.988 -11.659 -26.343 1.00 54.43 H new ATOM 0 HD21 LEU A 9 -9.879 -12.358 -23.474 1.00 53.31 H new ATOM 0 HD22 LEU A 9 -8.461 -13.077 -24.273 1.00 53.31 H new ATOM 0 HD23 LEU A 9 -8.279 -12.264 -22.701 1.00 53.31 H new ATOM 172 N CYS A 10 -6.653 -11.240 -21.256 1.00 52.35 N ATOM 173 CA CYS A 10 -6.683 -12.263 -20.201 1.00 51.44 C ATOM 174 C CYS A 10 -8.105 -12.461 -19.660 1.00 63.41 C ATOM 175 O CYS A 10 -8.988 -11.631 -19.881 1.00 13.35 O ATOM 176 CB CYS A 10 -5.742 -11.883 -19.051 1.00 53.42 C ATOM 177 SG CYS A 10 -5.731 -13.069 -17.685 1.00 11.43 S ATOM 0 H CYS A 10 -7.127 -10.371 -21.009 1.00 52.35 H new ATOM 0 HA CYS A 10 -6.346 -13.200 -20.644 1.00 51.44 H new ATOM 0 HB2 CYS A 10 -4.729 -11.785 -19.442 1.00 53.42 H new ATOM 0 HB3 CYS A 10 -6.031 -10.905 -18.667 1.00 53.42 H new ATOM 0 HG CYS A 10 -6.872 -13.026 -17.064 1.00 11.43 H new ATOM 183 N SER A 11 -8.318 -13.572 -18.962 1.00 2.01 N ATOM 184 CA SER A 11 -9.615 -13.878 -18.346 1.00 2.34 C ATOM 185 C SER A 11 -9.686 -13.328 -16.908 1.00 53.22 C ATOM 186 O SER A 11 -8.654 -13.009 -16.308 1.00 2.42 O ATOM 187 CB SER A 11 -9.853 -15.400 -18.371 1.00 53.04 C ATOM 188 OG SER A 11 -8.686 -16.112 -17.988 1.00 74.24 O ATOM 0 H SER A 11 -7.605 -14.284 -18.805 1.00 2.01 H new ATOM 0 HA SER A 11 -10.403 -13.390 -18.920 1.00 2.34 H new ATOM 0 HB2 SER A 11 -10.673 -15.653 -17.699 1.00 53.04 H new ATOM 0 HB3 SER A 11 -10.156 -15.706 -19.372 1.00 53.04 H new ATOM 0 HG SER A 11 -8.401 -15.819 -17.097 1.00 74.24 H new ATOM 194 N PRO A 12 -10.902 -13.183 -16.333 1.00 32.11 N ATOM 195 CA PRO A 12 -11.086 -12.561 -15.004 1.00 32.01 C ATOM 196 C PRO A 12 -10.718 -13.479 -13.817 1.00 3.41 C ATOM 197 O PRO A 12 -11.488 -13.610 -12.862 1.00 61.23 O ATOM 198 CB PRO A 12 -12.585 -12.231 -14.996 1.00 3.34 C ATOM 199 CG PRO A 12 -13.206 -13.287 -15.846 1.00 24.41 C ATOM 200 CD PRO A 12 -12.198 -13.589 -16.929 1.00 34.32 C ATOM 0 HA PRO A 12 -10.427 -11.703 -14.870 1.00 32.01 H new ATOM 0 HB2 PRO A 12 -12.989 -12.248 -13.984 1.00 3.34 H new ATOM 0 HB3 PRO A 12 -12.774 -11.236 -15.398 1.00 3.34 H new ATOM 0 HG2 PRO A 12 -13.430 -14.179 -15.261 1.00 24.41 H new ATOM 0 HG3 PRO A 12 -14.147 -12.942 -16.273 1.00 24.41 H new ATOM 0 HD2 PRO A 12 -12.202 -14.646 -17.195 1.00 34.32 H new ATOM 0 HD3 PRO A 12 -12.411 -13.030 -17.840 1.00 34.32 H new ATOM 208 N ASP A 13 -9.526 -14.073 -13.849 1.00 60.22 N ATOM 209 CA ASP A 13 -9.051 -14.913 -12.734 1.00 43.24 C ATOM 210 C ASP A 13 -8.643 -14.057 -11.523 1.00 61.44 C ATOM 211 O ASP A 13 -8.446 -14.571 -10.425 1.00 33.22 O ATOM 212 CB ASP A 13 -7.830 -15.742 -13.161 1.00 23.12 C ATOM 213 CG ASP A 13 -7.942 -16.281 -14.568 1.00 41.11 C ATOM 214 OD1 ASP A 13 -7.597 -15.539 -15.508 1.00 31.31 O ATOM 215 OD2 ASP A 13 -8.362 -17.443 -14.746 1.00 71.43 O ATOM 0 H ASP A 13 -8.870 -13.993 -14.626 1.00 60.22 H new ATOM 0 HA ASP A 13 -9.876 -15.569 -12.458 1.00 43.24 H new ATOM 0 HB2 ASP A 13 -6.935 -15.125 -13.085 1.00 23.12 H new ATOM 0 HB3 ASP A 13 -7.703 -16.574 -12.469 1.00 23.12 H new ATOM 220 N THR A 14 -8.534 -12.744 -11.732 1.00 74.42 N ATOM 221 CA THR A 14 -7.871 -11.847 -10.771 1.00 31.41 C ATOM 222 C THR A 14 -8.688 -11.562 -9.492 1.00 61.43 C ATOM 223 O THR A 14 -8.272 -10.757 -8.652 1.00 72.54 O ATOM 224 CB THR A 14 -7.498 -10.503 -11.442 1.00 11.51 C ATOM 225 OG1 THR A 14 -6.612 -9.761 -10.595 1.00 32.40 O ATOM 226 CG2 THR A 14 -8.742 -9.668 -11.744 1.00 4.23 C ATOM 0 H THR A 14 -8.897 -12.272 -12.560 1.00 74.42 H new ATOM 0 HA THR A 14 -6.976 -12.385 -10.458 1.00 31.41 H new ATOM 0 HB THR A 14 -7.000 -10.726 -12.385 1.00 11.51 H new ATOM 0 HG1 THR A 14 -5.920 -9.332 -11.141 1.00 32.40 H new ATOM 0 HG21 THR A 14 -8.446 -8.731 -12.215 1.00 4.23 H new ATOM 0 HG22 THR A 14 -9.397 -10.221 -12.417 1.00 4.23 H new ATOM 0 HG23 THR A 14 -9.272 -9.456 -10.815 1.00 4.23 H new ATOM 234 N ARG A 15 -9.838 -12.211 -9.323 1.00 2.42 N ATOM 235 CA ARG A 15 -10.587 -12.092 -8.067 1.00 23.12 C ATOM 236 C ARG A 15 -9.930 -12.970 -6.989 1.00 42.12 C ATOM 237 O ARG A 15 -10.429 -14.036 -6.621 1.00 24.05 O ATOM 238 CB ARG A 15 -12.069 -12.455 -8.263 1.00 41.42 C ATOM 239 CG ARG A 15 -12.935 -12.307 -7.003 1.00 44.24 C ATOM 240 CD ARG A 15 -12.830 -10.912 -6.379 1.00 2.14 C ATOM 241 NE ARG A 15 -13.809 -10.709 -5.305 1.00 23.21 N ATOM 242 CZ ARG A 15 -13.509 -10.523 -4.041 1.00 20.14 C ATOM 243 NH1 ARG A 15 -12.290 -10.619 -3.627 1.00 3.31 N ATOM 244 NH2 ARG A 15 -14.450 -10.277 -3.188 1.00 3.10 N ATOM 0 H ARG A 15 -10.268 -12.815 -10.024 1.00 2.42 H new ATOM 0 HA ARG A 15 -10.557 -11.054 -7.737 1.00 23.12 H new ATOM 0 HB2 ARG A 15 -12.483 -11.824 -9.049 1.00 41.42 H new ATOM 0 HB3 ARG A 15 -12.134 -13.485 -8.614 1.00 41.42 H new ATOM 0 HG2 ARG A 15 -13.976 -12.511 -7.255 1.00 44.24 H new ATOM 0 HG3 ARG A 15 -12.633 -13.054 -6.269 1.00 44.24 H new ATOM 0 HD2 ARG A 15 -11.825 -10.768 -5.984 1.00 2.14 H new ATOM 0 HD3 ARG A 15 -12.980 -10.158 -7.152 1.00 2.14 H new ATOM 0 HE ARG A 15 -14.797 -10.713 -5.560 1.00 23.21 H new ATOM 0 HH11 ARG A 15 -11.544 -10.842 -4.286 1.00 3.31 H new ATOM 0 HH12 ARG A 15 -12.073 -10.472 -2.641 1.00 3.31 H new ATOM 0 HH21 ARG A 15 -15.420 -10.228 -3.499 1.00 3.10 H new ATOM 0 HH22 ARG A 15 -14.222 -10.132 -2.205 1.00 3.10 H new ATOM 258 N GLN A 16 -8.777 -12.513 -6.512 1.00 64.22 N ATOM 259 CA GLN A 16 -7.968 -13.258 -5.548 1.00 33.40 C ATOM 260 C GLN A 16 -8.168 -12.734 -4.119 1.00 4.11 C ATOM 261 O GLN A 16 -8.271 -11.523 -3.900 1.00 32.21 O ATOM 262 CB GLN A 16 -6.487 -13.167 -5.950 1.00 4.34 C ATOM 263 CG GLN A 16 -6.177 -13.803 -7.304 1.00 61.31 C ATOM 264 CD GLN A 16 -6.341 -15.313 -7.289 1.00 22.10 C ATOM 265 OE1 GLN A 16 -7.426 -15.840 -7.508 1.00 51.05 O ATOM 266 NE2 GLN A 16 -5.258 -16.027 -7.057 1.00 20.25 N ATOM 0 H GLN A 16 -8.375 -11.615 -6.782 1.00 64.22 H new ATOM 0 HA GLN A 16 -8.288 -14.300 -5.560 1.00 33.40 H new ATOM 0 HB2 GLN A 16 -6.190 -12.118 -5.975 1.00 4.34 H new ATOM 0 HB3 GLN A 16 -5.882 -13.651 -5.184 1.00 4.34 H new ATOM 0 HG2 GLN A 16 -6.835 -13.377 -8.061 1.00 61.31 H new ATOM 0 HG3 GLN A 16 -5.156 -13.555 -7.593 1.00 61.31 H new ATOM 0 HE21 GLN A 16 -4.369 -15.561 -6.878 1.00 20.25 H new ATOM 0 HE22 GLN A 16 -5.309 -17.046 -7.057 1.00 20.25 H new ATOM 275 N PRO A 17 -8.238 -13.645 -3.126 1.00 1.14 N ATOM 276 CA PRO A 17 -8.415 -13.268 -1.712 1.00 13.13 C ATOM 277 C PRO A 17 -7.252 -12.420 -1.159 1.00 61.31 C ATOM 278 O PRO A 17 -6.184 -12.322 -1.770 1.00 4.31 O ATOM 279 CB PRO A 17 -8.488 -14.622 -0.982 1.00 43.53 C ATOM 280 CG PRO A 17 -8.824 -15.619 -2.043 1.00 54.31 C ATOM 281 CD PRO A 17 -8.170 -15.108 -3.296 1.00 14.20 C ATOM 0 HA PRO A 17 -9.298 -12.643 -1.577 1.00 13.13 H new ATOM 0 HB2 PRO A 17 -7.540 -14.862 -0.501 1.00 43.53 H new ATOM 0 HB3 PRO A 17 -9.247 -14.608 -0.200 1.00 43.53 H new ATOM 0 HG2 PRO A 17 -8.452 -16.610 -1.782 1.00 54.31 H new ATOM 0 HG3 PRO A 17 -9.903 -15.707 -2.171 1.00 54.31 H new ATOM 0 HD2 PRO A 17 -7.142 -15.457 -3.387 1.00 14.20 H new ATOM 0 HD3 PRO A 17 -8.698 -15.436 -4.191 1.00 14.20 H new ATOM 289 N LEU A 18 -7.472 -11.814 0.007 1.00 53.32 N ATOM 290 CA LEU A 18 -6.460 -10.970 0.654 1.00 32.15 C ATOM 291 C LEU A 18 -5.649 -11.751 1.695 1.00 53.14 C ATOM 292 O LEU A 18 -6.166 -12.663 2.348 1.00 33.44 O ATOM 293 CB LEU A 18 -7.130 -9.763 1.322 1.00 15.21 C ATOM 294 CG LEU A 18 -7.822 -8.786 0.360 1.00 34.44 C ATOM 295 CD1 LEU A 18 -8.503 -7.661 1.131 1.00 34.30 C ATOM 296 CD2 LEU A 18 -6.819 -8.221 -0.641 1.00 0.03 C ATOM 0 H LEU A 18 -8.346 -11.891 0.528 1.00 53.32 H new ATOM 0 HA LEU A 18 -5.773 -10.628 -0.120 1.00 32.15 H new ATOM 0 HB2 LEU A 18 -7.867 -10.127 2.038 1.00 15.21 H new ATOM 0 HB3 LEU A 18 -6.376 -9.217 1.890 1.00 15.21 H new ATOM 0 HG LEU A 18 -8.587 -9.333 -0.191 1.00 34.44 H new ATOM 0 HD11 LEU A 18 -8.987 -6.981 0.430 1.00 34.30 H new ATOM 0 HD12 LEU A 18 -9.251 -8.081 1.803 1.00 34.30 H new ATOM 0 HD13 LEU A 18 -7.759 -7.115 1.711 1.00 34.30 H new ATOM 0 HD21 LEU A 18 -7.327 -7.531 -1.315 1.00 0.03 H new ATOM 0 HD22 LEU A 18 -6.030 -7.692 -0.106 1.00 0.03 H new ATOM 0 HD23 LEU A 18 -6.382 -9.036 -1.218 1.00 0.03 H new ATOM 308 N SER A 19 -4.378 -11.386 1.842 1.00 32.24 N ATOM 309 CA SER A 19 -3.490 -11.991 2.846 1.00 65.43 C ATOM 310 C SER A 19 -2.648 -10.909 3.538 1.00 41.32 C ATOM 311 O SER A 19 -2.652 -9.752 3.124 1.00 23.52 O ATOM 312 CB SER A 19 -2.570 -13.034 2.189 1.00 65.42 C ATOM 313 OG SER A 19 -3.318 -14.093 1.607 1.00 31.15 O ATOM 0 H SER A 19 -3.931 -10.666 1.274 1.00 32.24 H new ATOM 0 HA SER A 19 -4.106 -12.488 3.595 1.00 65.43 H new ATOM 0 HB2 SER A 19 -1.961 -12.553 1.423 1.00 65.42 H new ATOM 0 HB3 SER A 19 -1.885 -13.438 2.934 1.00 65.42 H new ATOM 0 HG SER A 19 -2.706 -14.739 1.196 1.00 31.15 H new ATOM 319 N LEU A 20 -1.936 -11.282 4.596 1.00 3.40 N ATOM 320 CA LEU A 20 -1.079 -10.334 5.324 1.00 54.15 C ATOM 321 C LEU A 20 0.208 -10.046 4.525 1.00 53.02 C ATOM 322 O LEU A 20 0.905 -10.972 4.101 1.00 72.14 O ATOM 323 CB LEU A 20 -0.752 -10.902 6.721 1.00 22.20 C ATOM 324 CG LEU A 20 -0.276 -9.891 7.790 1.00 4.04 C ATOM 325 CD1 LEU A 20 1.142 -9.390 7.508 1.00 40.01 C ATOM 326 CD2 LEU A 20 -1.254 -8.719 7.895 1.00 74.11 C ATOM 0 H LEU A 20 -1.931 -12.230 4.973 1.00 3.40 H new ATOM 0 HA LEU A 20 -1.609 -9.390 5.447 1.00 54.15 H new ATOM 0 HB2 LEU A 20 -1.642 -11.404 7.101 1.00 22.20 H new ATOM 0 HB3 LEU A 20 0.019 -11.664 6.606 1.00 22.20 H new ATOM 0 HG LEU A 20 -0.252 -10.412 8.747 1.00 4.04 H new ATOM 0 HD11 LEU A 20 1.438 -8.682 8.282 1.00 40.01 H new ATOM 0 HD12 LEU A 20 1.832 -10.234 7.505 1.00 40.01 H new ATOM 0 HD13 LEU A 20 1.167 -8.897 6.536 1.00 40.01 H new ATOM 0 HD21 LEU A 20 -0.902 -8.018 8.652 1.00 74.11 H new ATOM 0 HD22 LEU A 20 -1.318 -8.211 6.933 1.00 74.11 H new ATOM 0 HD23 LEU A 20 -2.239 -9.091 8.175 1.00 74.11 H new ATOM 338 N LEU A 21 0.514 -8.762 4.317 1.00 41.43 N ATOM 339 CA LEU A 21 1.685 -8.359 3.525 1.00 72.33 C ATOM 340 C LEU A 21 2.994 -8.537 4.311 1.00 71.41 C ATOM 341 O LEU A 21 3.170 -7.965 5.388 1.00 3.31 O ATOM 342 CB LEU A 21 1.540 -6.901 3.061 1.00 12.22 C ATOM 343 CG LEU A 21 2.725 -6.334 2.258 1.00 63.31 C ATOM 344 CD1 LEU A 21 3.020 -7.197 1.032 1.00 43.10 C ATOM 345 CD2 LEU A 21 2.449 -4.889 1.844 1.00 31.52 C ATOM 0 H LEU A 21 -0.031 -7.982 4.685 1.00 41.43 H new ATOM 0 HA LEU A 21 1.731 -9.011 2.652 1.00 72.33 H new ATOM 0 HB2 LEU A 21 0.640 -6.821 2.451 1.00 12.22 H new ATOM 0 HB3 LEU A 21 1.387 -6.273 3.939 1.00 12.22 H new ATOM 0 HG LEU A 21 3.606 -6.349 2.900 1.00 63.31 H new ATOM 0 HD11 LEU A 21 3.861 -6.774 0.483 1.00 43.10 H new ATOM 0 HD12 LEU A 21 3.267 -8.210 1.351 1.00 43.10 H new ATOM 0 HD13 LEU A 21 2.142 -7.224 0.386 1.00 43.10 H new ATOM 0 HD21 LEU A 21 3.297 -4.505 1.277 1.00 31.52 H new ATOM 0 HD22 LEU A 21 1.553 -4.853 1.225 1.00 31.52 H new ATOM 0 HD23 LEU A 21 2.300 -4.278 2.734 1.00 31.52 H new ATOM 357 N GLU A 22 3.909 -9.323 3.755 1.00 22.22 N ATOM 358 CA GLU A 22 5.200 -9.594 4.395 1.00 30.33 C ATOM 359 C GLU A 22 6.033 -8.312 4.580 1.00 63.04 C ATOM 360 O GLU A 22 6.088 -7.460 3.693 1.00 52.14 O ATOM 361 CB GLU A 22 5.979 -10.621 3.561 1.00 5.14 C ATOM 362 CG GLU A 22 7.381 -10.922 4.078 1.00 64.21 C ATOM 363 CD GLU A 22 8.050 -12.049 3.307 1.00 60.31 C ATOM 364 OE1 GLU A 22 8.284 -11.891 2.090 1.00 22.12 O ATOM 365 OE2 GLU A 22 8.318 -13.109 3.914 1.00 32.33 O ATOM 0 H GLU A 22 3.783 -9.789 2.856 1.00 22.22 H new ATOM 0 HA GLU A 22 5.006 -9.997 5.389 1.00 30.33 H new ATOM 0 HB2 GLU A 22 5.410 -11.550 3.528 1.00 5.14 H new ATOM 0 HB3 GLU A 22 6.054 -10.257 2.536 1.00 5.14 H new ATOM 0 HG2 GLU A 22 7.993 -10.023 4.007 1.00 64.21 H new ATOM 0 HG3 GLU A 22 7.327 -11.189 5.134 1.00 64.21 H new ATOM 372 N SER A 23 6.693 -8.207 5.734 1.00 42.24 N ATOM 373 CA SER A 23 7.495 -7.023 6.092 1.00 64.34 C ATOM 374 C SER A 23 8.506 -6.638 4.998 1.00 1.24 C ATOM 375 O SER A 23 8.716 -5.451 4.724 1.00 53.32 O ATOM 376 CB SER A 23 8.251 -7.284 7.400 1.00 22.23 C ATOM 377 OG SER A 23 9.127 -8.393 7.267 1.00 32.12 O ATOM 0 H SER A 23 6.691 -8.935 6.449 1.00 42.24 H new ATOM 0 HA SER A 23 6.799 -6.192 6.208 1.00 64.34 H new ATOM 0 HB2 SER A 23 8.820 -6.397 7.679 1.00 22.23 H new ATOM 0 HB3 SER A 23 7.540 -7.472 8.204 1.00 22.23 H new ATOM 0 HG SER A 23 9.600 -8.540 8.113 1.00 32.12 H new ATOM 383 N LYS A 24 9.138 -7.636 4.379 1.00 71.22 N ATOM 384 CA LYS A 24 10.130 -7.385 3.321 1.00 74.32 C ATOM 385 C LYS A 24 9.491 -6.671 2.114 1.00 24.52 C ATOM 386 O LYS A 24 10.111 -5.817 1.488 1.00 12.31 O ATOM 387 CB LYS A 24 10.797 -8.694 2.875 1.00 53.25 C ATOM 388 CG LYS A 24 11.914 -8.499 1.849 1.00 51.11 C ATOM 389 CD LYS A 24 13.020 -7.585 2.385 1.00 71.15 C ATOM 390 CE LYS A 24 14.124 -7.357 1.357 1.00 24.42 C ATOM 391 NZ LYS A 24 14.822 -8.619 0.992 1.00 23.32 N ATOM 0 H LYS A 24 8.985 -8.623 4.587 1.00 71.22 H new ATOM 0 HA LYS A 24 10.896 -6.730 3.736 1.00 74.32 H new ATOM 0 HB2 LYS A 24 11.205 -9.200 3.750 1.00 53.25 H new ATOM 0 HB3 LYS A 24 10.038 -9.352 2.451 1.00 53.25 H new ATOM 0 HG2 LYS A 24 12.338 -9.467 1.584 1.00 51.11 H new ATOM 0 HG3 LYS A 24 11.499 -8.072 0.936 1.00 51.11 H new ATOM 0 HD2 LYS A 24 12.589 -6.626 2.673 1.00 71.15 H new ATOM 0 HD3 LYS A 24 13.449 -8.025 3.285 1.00 71.15 H new ATOM 0 HE2 LYS A 24 13.696 -6.908 0.461 1.00 24.42 H new ATOM 0 HE3 LYS A 24 14.848 -6.646 1.755 1.00 24.42 H new ATOM 0 HZ1 LYS A 24 15.657 -8.399 0.412 1.00 23.32 H new ATOM 0 HZ2 LYS A 24 15.121 -9.113 1.857 1.00 23.32 H new ATOM 0 HZ3 LYS A 24 14.176 -9.229 0.451 1.00 23.32 H new ATOM 405 N GLY A 25 8.260 -7.044 1.781 1.00 3.31 N ATOM 406 CA GLY A 25 7.518 -6.328 0.746 1.00 73.01 C ATOM 407 C GLY A 25 6.988 -4.981 1.239 1.00 1.32 C ATOM 408 O GLY A 25 7.030 -3.982 0.521 1.00 25.44 O ATOM 0 H GLY A 25 7.760 -7.826 2.204 1.00 3.31 H new ATOM 0 HA2 GLY A 25 8.165 -6.168 -0.117 1.00 73.01 H new ATOM 0 HA3 GLY A 25 6.684 -6.943 0.409 1.00 73.01 H new ATOM 412 N LEU A 26 6.508 -4.960 2.481 1.00 70.53 N ATOM 413 CA LEU A 26 5.892 -3.769 3.077 1.00 25.00 C ATOM 414 C LEU A 26 6.841 -2.555 3.079 1.00 32.52 C ATOM 415 O LEU A 26 6.400 -1.409 2.931 1.00 22.15 O ATOM 416 CB LEU A 26 5.438 -4.087 4.510 1.00 4.22 C ATOM 417 CG LEU A 26 4.722 -2.943 5.249 1.00 30.40 C ATOM 418 CD1 LEU A 26 3.469 -2.513 4.495 1.00 73.13 C ATOM 419 CD2 LEU A 26 4.378 -3.356 6.678 1.00 65.31 C ATOM 0 H LEU A 26 6.534 -5.766 3.105 1.00 70.53 H new ATOM 0 HA LEU A 26 5.032 -3.501 2.464 1.00 25.00 H new ATOM 0 HB2 LEU A 26 4.771 -4.949 4.478 1.00 4.22 H new ATOM 0 HB3 LEU A 26 6.311 -4.381 5.092 1.00 4.22 H new ATOM 0 HG LEU A 26 5.400 -2.091 5.294 1.00 30.40 H new ATOM 0 HD11 LEU A 26 2.979 -1.703 5.036 1.00 73.13 H new ATOM 0 HD12 LEU A 26 3.744 -2.169 3.498 1.00 73.13 H new ATOM 0 HD13 LEU A 26 2.786 -3.359 4.411 1.00 73.13 H new ATOM 0 HD21 LEU A 26 3.872 -2.533 7.183 1.00 65.31 H new ATOM 0 HD22 LEU A 26 3.722 -4.227 6.657 1.00 65.31 H new ATOM 0 HD23 LEU A 26 5.293 -3.604 7.215 1.00 65.31 H new ATOM 431 N GLU A 27 8.143 -2.800 3.245 1.00 11.01 N ATOM 432 CA GLU A 27 9.125 -1.708 3.251 1.00 54.25 C ATOM 433 C GLU A 27 9.082 -0.916 1.932 1.00 51.44 C ATOM 434 O GLU A 27 9.246 0.300 1.932 1.00 65.41 O ATOM 435 CB GLU A 27 10.547 -2.233 3.501 1.00 15.33 C ATOM 436 CG GLU A 27 11.070 -3.159 2.411 1.00 24.53 C ATOM 437 CD GLU A 27 12.532 -3.527 2.600 1.00 14.31 C ATOM 438 OE1 GLU A 27 12.864 -4.141 3.636 1.00 21.41 O ATOM 439 OE2 GLU A 27 13.360 -3.188 1.727 1.00 5.03 O ATOM 0 H GLU A 27 8.540 -3.731 3.376 1.00 11.01 H new ATOM 0 HA GLU A 27 8.857 -1.039 4.069 1.00 54.25 H new ATOM 0 HB2 GLU A 27 11.224 -1.384 3.597 1.00 15.33 H new ATOM 0 HB3 GLU A 27 10.564 -2.764 4.453 1.00 15.33 H new ATOM 0 HG2 GLU A 27 10.470 -4.069 2.396 1.00 24.53 H new ATOM 0 HG3 GLU A 27 10.944 -2.678 1.441 1.00 24.53 H new ATOM 446 N ALA A 28 8.837 -1.613 0.819 1.00 71.31 N ATOM 447 CA ALA A 28 8.754 -0.967 -0.498 1.00 41.54 C ATOM 448 C ALA A 28 7.632 0.082 -0.532 1.00 14.11 C ATOM 449 O ALA A 28 7.779 1.156 -1.125 1.00 23.53 O ATOM 450 CB ALA A 28 8.537 -2.014 -1.586 1.00 41.44 C ATOM 0 H ALA A 28 8.693 -2.623 0.801 1.00 71.31 H new ATOM 0 HA ALA A 28 9.698 -0.454 -0.684 1.00 41.54 H new ATOM 0 HB1 ALA A 28 8.477 -1.523 -2.557 1.00 41.44 H new ATOM 0 HB2 ALA A 28 9.370 -2.717 -1.586 1.00 41.44 H new ATOM 0 HB3 ALA A 28 7.609 -2.552 -1.394 1.00 41.44 H new ATOM 456 N LEU A 29 6.512 -0.239 0.120 1.00 10.02 N ATOM 457 CA LEU A 29 5.384 0.691 0.237 1.00 13.41 C ATOM 458 C LEU A 29 5.780 1.914 1.078 1.00 13.23 C ATOM 459 O LEU A 29 5.618 3.058 0.650 1.00 50.22 O ATOM 460 CB LEU A 29 4.157 -0.004 0.865 1.00 5.03 C ATOM 461 CG LEU A 29 3.460 -1.074 -0.001 1.00 30.43 C ATOM 462 CD1 LEU A 29 3.020 -0.489 -1.340 1.00 60.32 C ATOM 463 CD2 LEU A 29 4.359 -2.292 -0.210 1.00 11.31 C ATOM 0 H LEU A 29 6.361 -1.139 0.577 1.00 10.02 H new ATOM 0 HA LEU A 29 5.118 1.022 -0.767 1.00 13.41 H new ATOM 0 HB2 LEU A 29 4.469 -0.470 1.800 1.00 5.03 H new ATOM 0 HB3 LEU A 29 3.424 0.761 1.120 1.00 5.03 H new ATOM 0 HG LEU A 29 2.571 -1.405 0.535 1.00 30.43 H new ATOM 0 HD11 LEU A 29 2.531 -1.263 -1.932 1.00 60.32 H new ATOM 0 HD12 LEU A 29 2.322 0.331 -1.167 1.00 60.32 H new ATOM 0 HD13 LEU A 29 3.892 -0.116 -1.878 1.00 60.32 H new ATOM 0 HD21 LEU A 29 3.839 -3.027 -0.824 1.00 11.31 H new ATOM 0 HD22 LEU A 29 5.277 -1.985 -0.711 1.00 11.31 H new ATOM 0 HD23 LEU A 29 4.603 -2.734 0.756 1.00 11.31 H new ATOM 475 N ASN A 30 6.323 1.659 2.271 1.00 14.32 N ATOM 476 CA ASN A 30 6.762 2.729 3.182 1.00 53.05 C ATOM 477 C ASN A 30 7.798 3.657 2.520 1.00 1.52 C ATOM 478 O ASN A 30 7.718 4.879 2.648 1.00 71.14 O ATOM 479 CB ASN A 30 7.336 2.129 4.472 1.00 4.15 C ATOM 480 CG ASN A 30 6.258 1.547 5.372 1.00 33.55 C ATOM 481 OD1 ASN A 30 5.717 2.233 6.233 1.00 52.41 O ATOM 482 ND2 ASN A 30 5.930 0.285 5.185 1.00 11.04 N ATOM 0 H ASN A 30 6.471 0.717 2.634 1.00 14.32 H new ATOM 0 HA ASN A 30 5.887 3.332 3.425 1.00 53.05 H new ATOM 0 HB2 ASN A 30 8.054 1.349 4.218 1.00 4.15 H new ATOM 0 HB3 ASN A 30 7.882 2.900 5.016 1.00 4.15 H new ATOM 0 HD21 ASN A 30 5.209 -0.146 5.764 1.00 11.04 H new ATOM 0 HD22 ASN A 30 6.397 -0.261 4.461 1.00 11.04 H new ATOM 489 N LYS A 31 8.761 3.067 1.808 1.00 4.50 N ATOM 490 CA LYS A 31 9.768 3.845 1.069 1.00 12.04 C ATOM 491 C LYS A 31 9.105 4.800 0.065 1.00 40.23 C ATOM 492 O LYS A 31 9.413 5.992 0.019 1.00 14.35 O ATOM 493 CB LYS A 31 10.734 2.907 0.329 1.00 73.12 C ATOM 494 CG LYS A 31 11.597 2.058 1.255 1.00 63.51 C ATOM 495 CD LYS A 31 12.447 1.056 0.478 1.00 30.24 C ATOM 496 CE LYS A 31 13.314 0.212 1.404 1.00 11.04 C ATOM 497 NZ LYS A 31 14.133 -0.773 0.653 1.00 33.23 N ATOM 0 H LYS A 31 8.868 2.056 1.725 1.00 4.50 H new ATOM 0 HA LYS A 31 10.326 4.438 1.794 1.00 12.04 H new ATOM 0 HB2 LYS A 31 10.159 2.248 -0.322 1.00 73.12 H new ATOM 0 HB3 LYS A 31 11.383 3.502 -0.313 1.00 73.12 H new ATOM 0 HG2 LYS A 31 12.246 2.707 1.843 1.00 63.51 H new ATOM 0 HG3 LYS A 31 10.958 1.524 1.959 1.00 63.51 H new ATOM 0 HD2 LYS A 31 11.797 0.404 -0.106 1.00 30.24 H new ATOM 0 HD3 LYS A 31 13.082 1.589 -0.229 1.00 30.24 H new ATOM 0 HE2 LYS A 31 13.970 0.864 1.981 1.00 11.04 H new ATOM 0 HE3 LYS A 31 12.679 -0.313 2.117 1.00 11.04 H new ATOM 0 HZ1 LYS A 31 13.879 -1.736 0.952 1.00 33.23 H new ATOM 0 HZ2 LYS A 31 13.954 -0.668 -0.366 1.00 33.23 H new ATOM 0 HZ3 LYS A 31 15.141 -0.605 0.846 1.00 33.23 H new ATOM 511 N ALA A 32 8.179 4.264 -0.731 1.00 60.23 N ATOM 512 CA ALA A 32 7.440 5.068 -1.710 1.00 12.32 C ATOM 513 C ALA A 32 6.598 6.161 -1.025 1.00 1.44 C ATOM 514 O ALA A 32 6.421 7.258 -1.568 1.00 22.12 O ATOM 515 CB ALA A 32 6.562 4.165 -2.574 1.00 33.24 C ATOM 0 H ALA A 32 7.922 3.277 -0.718 1.00 60.23 H new ATOM 0 HA ALA A 32 8.164 5.572 -2.351 1.00 12.32 H new ATOM 0 HB1 ALA A 32 6.017 4.772 -3.298 1.00 33.24 H new ATOM 0 HB2 ALA A 32 7.188 3.446 -3.102 1.00 33.24 H new ATOM 0 HB3 ALA A 32 5.853 3.633 -1.940 1.00 33.24 H new ATOM 521 N ILE A 33 6.079 5.858 0.169 1.00 35.12 N ATOM 522 CA ILE A 33 5.337 6.845 0.971 1.00 31.12 C ATOM 523 C ILE A 33 6.245 8.017 1.377 1.00 72.11 C ATOM 524 O ILE A 33 5.862 9.183 1.261 1.00 60.53 O ATOM 525 CB ILE A 33 4.713 6.197 2.237 1.00 43.43 C ATOM 526 CG1 ILE A 33 3.648 5.159 1.835 1.00 63.55 C ATOM 527 CG2 ILE A 33 4.112 7.264 3.157 1.00 31.42 C ATOM 528 CD1 ILE A 33 3.029 4.420 3.006 1.00 44.54 C ATOM 0 H ILE A 33 6.157 4.939 0.604 1.00 35.12 H new ATOM 0 HA ILE A 33 4.528 7.225 0.347 1.00 31.12 H new ATOM 0 HB ILE A 33 5.503 5.687 2.788 1.00 43.43 H new ATOM 0 HG12 ILE A 33 2.858 5.663 1.278 1.00 63.55 H new ATOM 0 HG13 ILE A 33 4.101 4.433 1.160 1.00 63.55 H new ATOM 0 HG21 ILE A 33 3.681 6.785 4.036 1.00 31.42 H new ATOM 0 HG22 ILE A 33 4.893 7.958 3.468 1.00 31.42 H new ATOM 0 HG23 ILE A 33 3.334 7.809 2.623 1.00 31.42 H new ATOM 0 HD11 ILE A 33 2.290 3.708 2.638 1.00 44.54 H new ATOM 0 HD12 ILE A 33 3.807 3.886 3.551 1.00 44.54 H new ATOM 0 HD13 ILE A 33 2.545 5.134 3.672 1.00 44.54 H new ATOM 540 N VAL A 34 7.456 7.704 1.843 1.00 35.03 N ATOM 541 CA VAL A 34 8.451 8.738 2.155 1.00 1.53 C ATOM 542 C VAL A 34 8.773 9.563 0.900 1.00 21.02 C ATOM 543 O VAL A 34 8.913 10.786 0.952 1.00 71.40 O ATOM 544 CB VAL A 34 9.759 8.117 2.712 1.00 34.55 C ATOM 545 CG1 VAL A 34 10.763 9.204 3.099 1.00 34.34 C ATOM 546 CG2 VAL A 34 9.461 7.205 3.902 1.00 34.00 C ATOM 0 H VAL A 34 7.772 6.749 2.013 1.00 35.03 H new ATOM 0 HA VAL A 34 8.023 9.385 2.920 1.00 1.53 H new ATOM 0 HB VAL A 34 10.207 7.513 1.923 1.00 34.55 H new ATOM 0 HG11 VAL A 34 11.670 8.740 3.486 1.00 34.34 H new ATOM 0 HG12 VAL A 34 11.008 9.803 2.221 1.00 34.34 H new ATOM 0 HG13 VAL A 34 10.328 9.845 3.866 1.00 34.34 H new ATOM 0 HG21 VAL A 34 10.392 6.780 4.277 1.00 34.00 H new ATOM 0 HG22 VAL A 34 8.982 7.783 4.692 1.00 34.00 H new ATOM 0 HG23 VAL A 34 8.796 6.401 3.587 1.00 34.00 H new ATOM 556 N SER A 35 8.870 8.872 -0.232 1.00 73.41 N ATOM 557 CA SER A 35 9.096 9.514 -1.533 1.00 41.13 C ATOM 558 C SER A 35 7.903 10.393 -1.946 1.00 41.01 C ATOM 559 O SER A 35 8.053 11.332 -2.731 1.00 12.40 O ATOM 560 CB SER A 35 9.349 8.444 -2.603 1.00 73.05 C ATOM 561 OG SER A 35 9.588 9.011 -3.886 1.00 64.33 O ATOM 0 H SER A 35 8.795 7.856 -0.279 1.00 73.41 H new ATOM 0 HA SER A 35 9.970 10.158 -1.442 1.00 41.13 H new ATOM 0 HB2 SER A 35 10.206 7.837 -2.311 1.00 73.05 H new ATOM 0 HB3 SER A 35 8.489 7.777 -2.657 1.00 73.05 H new ATOM 0 HG SER A 35 9.746 8.295 -4.536 1.00 64.33 H new ATOM 567 N GLY A 36 6.721 10.082 -1.412 1.00 65.32 N ATOM 568 CA GLY A 36 5.527 10.870 -1.707 1.00 32.03 C ATOM 569 C GLY A 36 4.927 10.577 -3.082 1.00 14.45 C ATOM 570 O GLY A 36 4.274 11.433 -3.680 1.00 22.21 O ATOM 0 H GLY A 36 6.567 9.297 -0.779 1.00 65.32 H new ATOM 0 HA2 GLY A 36 4.775 10.675 -0.942 1.00 32.03 H new ATOM 0 HA3 GLY A 36 5.776 11.929 -1.647 1.00 32.03 H new ATOM 574 N THR A 37 5.137 9.360 -3.581 1.00 63.34 N ATOM 575 CA THR A 37 4.658 8.975 -4.920 1.00 74.03 C ATOM 576 C THR A 37 3.569 7.887 -4.853 1.00 73.11 C ATOM 577 O THR A 37 3.274 7.218 -5.844 1.00 60.34 O ATOM 578 CB THR A 37 5.831 8.485 -5.814 1.00 3.04 C ATOM 579 OG1 THR A 37 5.377 8.256 -7.157 1.00 34.10 O ATOM 580 CG2 THR A 37 6.458 7.205 -5.261 1.00 55.05 C ATOM 0 H THR A 37 5.634 8.621 -3.084 1.00 63.34 H new ATOM 0 HA THR A 37 4.219 9.869 -5.363 1.00 74.03 H new ATOM 0 HB THR A 37 6.590 9.267 -5.816 1.00 3.04 H new ATOM 0 HG1 THR A 37 4.507 7.806 -7.136 1.00 34.10 H new ATOM 0 HG21 THR A 37 7.275 6.890 -5.910 1.00 55.05 H new ATOM 0 HG22 THR A 37 6.843 7.392 -4.258 1.00 55.05 H new ATOM 0 HG23 THR A 37 5.704 6.419 -5.219 1.00 55.05 H new ATOM 588 N VAL A 38 2.952 7.734 -3.682 1.00 51.21 N ATOM 589 CA VAL A 38 1.902 6.728 -3.491 1.00 30.23 C ATOM 590 C VAL A 38 0.495 7.326 -3.657 1.00 40.10 C ATOM 591 O VAL A 38 -0.055 7.931 -2.731 1.00 60.24 O ATOM 592 CB VAL A 38 2.002 6.057 -2.099 1.00 4.21 C ATOM 593 CG1 VAL A 38 0.914 5.000 -1.925 1.00 21.20 C ATOM 594 CG2 VAL A 38 3.384 5.449 -1.896 1.00 3.12 C ATOM 0 H VAL A 38 3.158 8.291 -2.852 1.00 51.21 H new ATOM 0 HA VAL A 38 2.059 5.977 -4.265 1.00 30.23 H new ATOM 0 HB VAL A 38 1.850 6.824 -1.339 1.00 4.21 H new ATOM 0 HG11 VAL A 38 1.005 4.543 -0.940 1.00 21.20 H new ATOM 0 HG12 VAL A 38 -0.066 5.468 -2.019 1.00 21.20 H new ATOM 0 HG13 VAL A 38 1.025 4.234 -2.692 1.00 21.20 H new ATOM 0 HG21 VAL A 38 3.435 4.982 -0.912 1.00 3.12 H new ATOM 0 HG22 VAL A 38 3.567 4.698 -2.664 1.00 3.12 H new ATOM 0 HG23 VAL A 38 4.140 6.231 -1.966 1.00 3.12 H new ATOM 604 N GLN A 39 -0.067 7.178 -4.853 1.00 63.32 N ATOM 605 CA GLN A 39 -1.459 7.547 -5.112 1.00 12.00 C ATOM 606 C GLN A 39 -2.404 6.369 -4.819 1.00 5.15 C ATOM 607 O GLN A 39 -2.203 5.251 -5.305 1.00 63.01 O ATOM 608 CB GLN A 39 -1.648 8.023 -6.568 1.00 21.42 C ATOM 609 CG GLN A 39 -1.204 9.464 -6.845 1.00 55.40 C ATOM 610 CD GLN A 39 0.306 9.655 -6.939 1.00 30.45 C ATOM 611 OE1 GLN A 39 1.084 8.946 -6.324 1.00 52.14 O ATOM 612 NE2 GLN A 39 0.729 10.634 -7.712 1.00 50.03 N ATOM 0 H GLN A 39 0.423 6.802 -5.665 1.00 63.32 H new ATOM 0 HA GLN A 39 -1.708 8.371 -4.443 1.00 12.00 H new ATOM 0 HB2 GLN A 39 -1.093 7.355 -7.227 1.00 21.42 H new ATOM 0 HB3 GLN A 39 -2.701 7.927 -6.831 1.00 21.42 H new ATOM 0 HG2 GLN A 39 -1.658 9.797 -7.778 1.00 55.40 H new ATOM 0 HG3 GLN A 39 -1.590 10.108 -6.055 1.00 55.40 H new ATOM 0 HE21 GLN A 39 0.057 11.213 -8.216 1.00 50.03 H new ATOM 0 HE22 GLN A 39 1.729 10.813 -7.807 1.00 50.03 H new ATOM 621 N ARG A 40 -3.424 6.626 -4.008 1.00 5.03 N ATOM 622 CA ARG A 40 -4.451 5.626 -3.695 1.00 33.54 C ATOM 623 C ARG A 40 -5.374 5.371 -4.904 1.00 63.32 C ATOM 624 O ARG A 40 -5.226 5.995 -5.956 1.00 13.00 O ATOM 625 CB ARG A 40 -5.300 6.103 -2.506 1.00 5.23 C ATOM 626 CG ARG A 40 -4.520 6.352 -1.212 1.00 42.03 C ATOM 627 CD ARG A 40 -5.429 6.971 -0.156 1.00 10.52 C ATOM 628 NE ARG A 40 -4.783 7.162 1.141 1.00 62.21 N ATOM 629 CZ ARG A 40 -5.446 7.325 2.260 1.00 3.43 C ATOM 630 NH1 ARG A 40 -6.741 7.274 2.269 1.00 62.44 N ATOM 631 NH2 ARG A 40 -4.817 7.530 3.370 1.00 30.32 N ATOM 0 H ARG A 40 -3.567 7.526 -3.549 1.00 5.03 H new ATOM 0 HA ARG A 40 -3.943 4.695 -3.443 1.00 33.54 H new ATOM 0 HB2 ARG A 40 -5.809 7.025 -2.789 1.00 5.23 H new ATOM 0 HB3 ARG A 40 -6.073 5.360 -2.309 1.00 5.23 H new ATOM 0 HG2 ARG A 40 -4.108 5.413 -0.842 1.00 42.03 H new ATOM 0 HG3 ARG A 40 -3.677 7.014 -1.409 1.00 42.03 H new ATOM 0 HD2 ARG A 40 -5.787 7.935 -0.518 1.00 10.52 H new ATOM 0 HD3 ARG A 40 -6.304 6.334 -0.025 1.00 10.52 H new ATOM 0 HE ARG A 40 -3.764 7.169 1.177 1.00 62.21 H new ATOM 0 HH11 ARG A 40 -7.251 7.106 1.402 1.00 62.44 H new ATOM 0 HH12 ARG A 40 -7.250 7.402 3.143 1.00 62.44 H new ATOM 0 HH21 ARG A 40 -3.798 7.566 3.379 1.00 30.32 H new ATOM 0 HH22 ARG A 40 -5.340 7.656 4.237 1.00 30.32 H new ATOM 645 N ALA A 41 -6.341 4.465 -4.738 1.00 54.12 N ATOM 646 CA ALA A 41 -7.336 4.187 -5.785 1.00 31.23 C ATOM 647 C ALA A 41 -8.025 5.472 -6.277 1.00 4.43 C ATOM 648 O ALA A 41 -8.272 5.641 -7.472 1.00 50.24 O ATOM 649 CB ALA A 41 -8.382 3.208 -5.263 1.00 64.44 C ATOM 0 H ALA A 41 -6.459 3.910 -3.890 1.00 54.12 H new ATOM 0 HA ALA A 41 -6.809 3.747 -6.631 1.00 31.23 H new ATOM 0 HB1 ALA A 41 -9.115 3.008 -6.045 1.00 64.44 H new ATOM 0 HB2 ALA A 41 -7.896 2.276 -4.974 1.00 64.44 H new ATOM 0 HB3 ALA A 41 -8.884 3.639 -4.397 1.00 64.44 H new ATOM 655 N ASP A 42 -8.324 6.370 -5.341 1.00 43.21 N ATOM 656 CA ASP A 42 -8.989 7.641 -5.652 1.00 70.44 C ATOM 657 C ASP A 42 -7.985 8.802 -5.848 1.00 15.21 C ATOM 658 O ASP A 42 -8.343 9.974 -5.708 1.00 40.13 O ATOM 659 CB ASP A 42 -9.987 7.972 -4.537 1.00 12.50 C ATOM 660 CG ASP A 42 -11.179 7.032 -4.546 1.00 21.31 C ATOM 661 OD1 ASP A 42 -11.051 5.882 -4.076 1.00 61.15 O ATOM 662 OD2 ASP A 42 -12.256 7.440 -5.034 1.00 54.43 O ATOM 0 H ASP A 42 -8.115 6.242 -4.351 1.00 43.21 H new ATOM 0 HA ASP A 42 -9.515 7.524 -6.600 1.00 70.44 H new ATOM 0 HB2 ASP A 42 -9.485 7.912 -3.571 1.00 12.50 H new ATOM 0 HB3 ASP A 42 -10.334 8.999 -4.653 1.00 12.50 H new ATOM 667 N GLY A 43 -6.731 8.475 -6.167 1.00 34.22 N ATOM 668 CA GLY A 43 -5.741 9.499 -6.510 1.00 32.25 C ATOM 669 C GLY A 43 -5.172 10.273 -5.314 1.00 0.44 C ATOM 670 O GLY A 43 -4.263 11.092 -5.479 1.00 51.23 O ATOM 0 H GLY A 43 -6.379 7.518 -6.195 1.00 34.22 H new ATOM 0 HA2 GLY A 43 -4.917 9.023 -7.042 1.00 32.25 H new ATOM 0 HA3 GLY A 43 -6.198 10.209 -7.200 1.00 32.25 H new ATOM 674 N SER A 44 -5.701 10.029 -4.117 1.00 24.33 N ATOM 675 CA SER A 44 -5.223 10.713 -2.902 1.00 71.43 C ATOM 676 C SER A 44 -3.829 10.216 -2.486 1.00 54.21 C ATOM 677 O SER A 44 -3.556 9.017 -2.520 1.00 65.22 O ATOM 678 CB SER A 44 -6.212 10.489 -1.751 1.00 74.32 C ATOM 679 OG SER A 44 -7.529 10.875 -2.122 1.00 43.42 O ATOM 0 H SER A 44 -6.459 9.366 -3.955 1.00 24.33 H new ATOM 0 HA SER A 44 -5.152 11.777 -3.126 1.00 71.43 H new ATOM 0 HB2 SER A 44 -6.206 9.438 -1.462 1.00 74.32 H new ATOM 0 HB3 SER A 44 -5.895 11.061 -0.879 1.00 74.32 H new ATOM 0 HG SER A 44 -8.139 10.720 -1.371 1.00 43.42 H new ATOM 685 N ILE A 45 -2.954 11.136 -2.089 1.00 70.32 N ATOM 686 CA ILE A 45 -1.589 10.780 -1.678 1.00 14.32 C ATOM 687 C ILE A 45 -1.569 10.113 -0.291 1.00 44.51 C ATOM 688 O ILE A 45 -2.113 10.646 0.673 1.00 10.13 O ATOM 689 CB ILE A 45 -0.664 12.027 -1.654 1.00 14.23 C ATOM 690 CG1 ILE A 45 -0.600 12.682 -3.046 1.00 60.42 C ATOM 691 CG2 ILE A 45 0.738 11.655 -1.166 1.00 11.54 C ATOM 692 CD1 ILE A 45 -0.035 11.784 -4.125 1.00 42.35 C ATOM 0 H ILE A 45 -3.161 12.134 -2.041 1.00 70.32 H new ATOM 0 HA ILE A 45 -1.217 10.070 -2.417 1.00 14.32 H new ATOM 0 HB ILE A 45 -1.085 12.749 -0.955 1.00 14.23 H new ATOM 0 HG12 ILE A 45 -1.604 12.993 -3.336 1.00 60.42 H new ATOM 0 HG13 ILE A 45 0.008 13.584 -2.984 1.00 60.42 H new ATOM 0 HG21 ILE A 45 1.368 12.544 -1.158 1.00 11.54 H new ATOM 0 HG22 ILE A 45 0.676 11.245 -0.158 1.00 11.54 H new ATOM 0 HG23 ILE A 45 1.170 10.910 -1.834 1.00 11.54 H new ATOM 0 HD11 ILE A 45 -0.024 12.319 -5.075 1.00 42.35 H new ATOM 0 HD12 ILE A 45 0.981 11.493 -3.861 1.00 42.35 H new ATOM 0 HD13 ILE A 45 -0.655 10.893 -4.218 1.00 42.35 H new ATOM 704 N GLN A 46 -0.945 8.941 -0.206 1.00 24.24 N ATOM 705 CA GLN A 46 -0.758 8.257 1.076 1.00 63.54 C ATOM 706 C GLN A 46 0.422 8.889 1.838 1.00 4.13 C ATOM 707 O GLN A 46 1.579 8.539 1.613 1.00 62.50 O ATOM 708 CB GLN A 46 -0.509 6.757 0.844 1.00 52.50 C ATOM 709 CG GLN A 46 -0.561 5.902 2.107 1.00 53.33 C ATOM 710 CD GLN A 46 -1.956 5.821 2.708 1.00 52.43 C ATOM 711 OE1 GLN A 46 -2.335 6.624 3.552 1.00 34.42 O ATOM 712 NE2 GLN A 46 -2.742 4.859 2.262 1.00 21.20 N ATOM 0 H GLN A 46 -0.559 8.443 -1.008 1.00 24.24 H new ATOM 0 HA GLN A 46 -1.661 8.368 1.676 1.00 63.54 H new ATOM 0 HB2 GLN A 46 -1.251 6.384 0.138 1.00 52.50 H new ATOM 0 HB3 GLN A 46 0.468 6.632 0.376 1.00 52.50 H new ATOM 0 HG2 GLN A 46 -0.212 4.896 1.874 1.00 53.33 H new ATOM 0 HG3 GLN A 46 0.125 6.314 2.847 1.00 53.33 H new ATOM 0 HE21 GLN A 46 -2.399 4.205 1.559 1.00 21.20 H new ATOM 0 HE22 GLN A 46 -3.693 4.770 2.621 1.00 21.20 H new ATOM 721 N ASN A 47 0.116 9.834 2.723 1.00 35.14 N ATOM 722 CA ASN A 47 1.153 10.622 3.407 1.00 75.32 C ATOM 723 C ASN A 47 1.700 9.921 4.661 1.00 51.34 C ATOM 724 O ASN A 47 2.862 10.111 5.028 1.00 25.25 O ATOM 725 CB ASN A 47 0.601 11.997 3.790 1.00 53.10 C ATOM 726 CG ASN A 47 0.236 12.833 2.576 1.00 13.42 C ATOM 727 OD1 ASN A 47 1.067 13.550 2.032 1.00 70.24 O ATOM 728 ND2 ASN A 47 -1.004 12.747 2.142 1.00 32.43 N ATOM 0 H ASN A 47 -0.839 10.077 2.987 1.00 35.14 H new ATOM 0 HA ASN A 47 1.981 10.731 2.706 1.00 75.32 H new ATOM 0 HB2 ASN A 47 -0.281 11.869 4.418 1.00 53.10 H new ATOM 0 HB3 ASN A 47 1.342 12.530 4.385 1.00 53.10 H new ATOM 0 HD21 ASN A 47 -1.298 13.288 1.329 1.00 32.43 H new ATOM 0 HD22 ASN A 47 -1.670 12.140 2.619 1.00 32.43 H new ATOM 735 N GLN A 48 0.863 9.126 5.319 1.00 2.23 N ATOM 736 CA GLN A 48 1.247 8.455 6.567 1.00 60.15 C ATOM 737 C GLN A 48 1.682 7.002 6.322 1.00 12.11 C ATOM 738 O GLN A 48 0.892 6.174 5.860 1.00 70.22 O ATOM 739 CB GLN A 48 0.079 8.498 7.566 1.00 11.33 C ATOM 740 CG GLN A 48 -0.375 9.916 7.920 1.00 70.32 C ATOM 741 CD GLN A 48 0.670 10.707 8.701 1.00 50.02 C ATOM 742 OE1 GLN A 48 1.870 10.487 8.573 1.00 30.54 O ATOM 743 NE2 GLN A 48 0.224 11.645 9.508 1.00 63.30 N ATOM 0 H GLN A 48 -0.089 8.927 5.012 1.00 2.23 H new ATOM 0 HA GLN A 48 2.101 8.988 6.984 1.00 60.15 H new ATOM 0 HB2 GLN A 48 -0.765 7.949 7.148 1.00 11.33 H new ATOM 0 HB3 GLN A 48 0.374 7.982 8.479 1.00 11.33 H new ATOM 0 HG2 GLN A 48 -0.616 10.453 7.002 1.00 70.32 H new ATOM 0 HG3 GLN A 48 -1.292 9.861 8.507 1.00 70.32 H new ATOM 0 HE21 GLN A 48 -0.779 11.807 9.596 1.00 63.30 H new ATOM 0 HE22 GLN A 48 0.881 12.210 10.046 1.00 63.30 H new ATOM 752 N SER A 49 2.944 6.708 6.638 1.00 1.32 N ATOM 753 CA SER A 49 3.502 5.359 6.469 1.00 52.13 C ATOM 754 C SER A 49 2.832 4.351 7.415 1.00 20.41 C ATOM 755 O SER A 49 2.962 4.443 8.637 1.00 64.43 O ATOM 756 CB SER A 49 5.022 5.371 6.706 1.00 13.42 C ATOM 757 OG SER A 49 5.342 5.776 8.031 1.00 51.12 O ATOM 0 H SER A 49 3.605 7.388 7.015 1.00 1.32 H new ATOM 0 HA SER A 49 3.303 5.047 5.444 1.00 52.13 H new ATOM 0 HB2 SER A 49 5.428 4.376 6.521 1.00 13.42 H new ATOM 0 HB3 SER A 49 5.497 6.046 5.994 1.00 13.42 H new ATOM 0 HG SER A 49 4.617 5.515 8.637 1.00 51.12 H new ATOM 763 N LEU A 50 2.118 3.391 6.834 1.00 61.13 N ATOM 764 CA LEU A 50 1.381 2.387 7.610 1.00 72.44 C ATOM 765 C LEU A 50 2.298 1.259 8.124 1.00 34.31 C ATOM 766 O LEU A 50 3.189 0.788 7.418 1.00 14.12 O ATOM 767 CB LEU A 50 0.202 1.825 6.778 1.00 73.42 C ATOM 768 CG LEU A 50 0.496 1.481 5.300 1.00 64.42 C ATOM 769 CD1 LEU A 50 1.288 0.185 5.168 1.00 13.25 C ATOM 770 CD2 LEU A 50 -0.798 1.398 4.496 1.00 44.21 C ATOM 0 H LEU A 50 2.031 3.284 5.823 1.00 61.13 H new ATOM 0 HA LEU A 50 0.976 2.882 8.493 1.00 72.44 H new ATOM 0 HB2 LEU A 50 -0.163 0.924 7.271 1.00 73.42 H new ATOM 0 HB3 LEU A 50 -0.609 2.553 6.803 1.00 73.42 H new ATOM 0 HG LEU A 50 1.109 2.286 4.895 1.00 64.42 H new ATOM 0 HD11 LEU A 50 1.474 -0.022 4.114 1.00 13.25 H new ATOM 0 HD12 LEU A 50 2.239 0.285 5.692 1.00 13.25 H new ATOM 0 HD13 LEU A 50 0.718 -0.636 5.604 1.00 13.25 H new ATOM 0 HD21 LEU A 50 -0.567 1.155 3.459 1.00 44.21 H new ATOM 0 HD22 LEU A 50 -1.439 0.623 4.916 1.00 44.21 H new ATOM 0 HD23 LEU A 50 -1.314 2.357 4.537 1.00 44.21 H new ATOM 782 N HIS A 51 2.077 0.844 9.373 1.00 30.52 N ATOM 783 CA HIS A 51 2.889 -0.208 10.003 1.00 71.02 C ATOM 784 C HIS A 51 2.438 -1.618 9.592 1.00 52.13 C ATOM 785 O HIS A 51 3.216 -2.572 9.650 1.00 25.14 O ATOM 786 CB HIS A 51 2.820 -0.066 11.529 1.00 12.42 C ATOM 787 CG HIS A 51 3.709 -1.019 12.272 1.00 43.42 C ATOM 788 ND1 HIS A 51 5.040 -0.762 12.518 1.00 61.10 N ATOM 789 CD2 HIS A 51 3.457 -2.231 12.824 1.00 63.23 C ATOM 790 CE1 HIS A 51 5.566 -1.769 13.184 1.00 73.52 C ATOM 791 NE2 HIS A 51 4.631 -2.675 13.385 1.00 20.02 N ATOM 0 H HIS A 51 1.342 1.219 9.972 1.00 30.52 H new ATOM 0 HA HIS A 51 3.915 -0.081 9.659 1.00 71.02 H new ATOM 0 HB2 HIS A 51 3.091 0.954 11.801 1.00 12.42 H new ATOM 0 HB3 HIS A 51 1.790 -0.219 11.852 1.00 12.42 H new ATOM 0 HD2 HIS A 51 2.510 -2.751 12.823 1.00 63.23 H new ATOM 0 HE1 HIS A 51 6.593 -1.840 13.511 1.00 73.52 H new ATOM 0 HE2 HIS A 51 4.757 -3.560 13.876 1.00 20.02 H new ATOM 800 N GLU A 52 1.176 -1.751 9.196 1.00 31.12 N ATOM 801 CA GLU A 52 0.621 -3.049 8.808 1.00 64.33 C ATOM 802 C GLU A 52 -0.284 -2.906 7.575 1.00 54.44 C ATOM 803 O GLU A 52 -0.969 -1.889 7.411 1.00 4.55 O ATOM 804 CB GLU A 52 -0.159 -3.658 9.981 1.00 72.41 C ATOM 805 CG GLU A 52 -0.536 -5.125 9.782 1.00 32.53 C ATOM 806 CD GLU A 52 0.675 -6.047 9.742 1.00 55.43 C ATOM 807 OE1 GLU A 52 1.335 -6.126 8.685 1.00 53.30 O ATOM 808 OE2 GLU A 52 0.972 -6.693 10.768 1.00 1.13 O ATOM 0 H GLU A 52 0.515 -0.976 9.134 1.00 31.12 H new ATOM 0 HA GLU A 52 1.443 -3.716 8.549 1.00 64.33 H new ATOM 0 HB2 GLU A 52 0.439 -3.567 10.888 1.00 72.41 H new ATOM 0 HB3 GLU A 52 -1.068 -3.078 10.139 1.00 72.41 H new ATOM 0 HG2 GLU A 52 -1.198 -5.438 10.590 1.00 32.53 H new ATOM 0 HG3 GLU A 52 -1.096 -5.228 8.853 1.00 32.53 H new ATOM 815 N ALA A 53 -0.299 -3.925 6.714 1.00 31.20 N ATOM 816 CA ALA A 53 -1.037 -3.846 5.450 1.00 23.44 C ATOM 817 C ALA A 53 -1.477 -5.222 4.922 1.00 32.04 C ATOM 818 O ALA A 53 -0.901 -6.257 5.265 1.00 33.03 O ATOM 819 CB ALA A 53 -0.185 -3.137 4.402 1.00 24.31 C ATOM 0 H ALA A 53 0.187 -4.809 6.866 1.00 31.20 H new ATOM 0 HA ALA A 53 -1.947 -3.279 5.647 1.00 23.44 H new ATOM 0 HB1 ALA A 53 -0.736 -3.080 3.463 1.00 24.31 H new ATOM 0 HB2 ALA A 53 0.052 -2.130 4.746 1.00 24.31 H new ATOM 0 HB3 ALA A 53 0.739 -3.694 4.247 1.00 24.31 H new ATOM 825 N LEU A 54 -2.506 -5.216 4.080 1.00 21.01 N ATOM 826 CA LEU A 54 -2.978 -6.423 3.393 1.00 30.43 C ATOM 827 C LEU A 54 -2.515 -6.423 1.933 1.00 23.11 C ATOM 828 O LEU A 54 -2.392 -5.369 1.312 1.00 65.24 O ATOM 829 CB LEU A 54 -4.510 -6.502 3.434 1.00 54.13 C ATOM 830 CG LEU A 54 -5.131 -6.639 4.830 1.00 30.21 C ATOM 831 CD1 LEU A 54 -6.645 -6.479 4.757 1.00 64.32 C ATOM 832 CD2 LEU A 54 -4.751 -7.981 5.459 1.00 65.23 C ATOM 0 H LEU A 54 -3.039 -4.377 3.852 1.00 21.01 H new ATOM 0 HA LEU A 54 -2.558 -7.288 3.907 1.00 30.43 H new ATOM 0 HB2 LEU A 54 -4.915 -5.606 2.963 1.00 54.13 H new ATOM 0 HB3 LEU A 54 -4.828 -7.352 2.830 1.00 54.13 H new ATOM 0 HG LEU A 54 -4.736 -5.846 5.465 1.00 30.21 H new ATOM 0 HD11 LEU A 54 -7.070 -6.579 5.756 1.00 64.32 H new ATOM 0 HD12 LEU A 54 -6.888 -5.495 4.356 1.00 64.32 H new ATOM 0 HD13 LEU A 54 -7.061 -7.249 4.107 1.00 64.32 H new ATOM 0 HD21 LEU A 54 -5.201 -8.059 6.449 1.00 65.23 H new ATOM 0 HD22 LEU A 54 -5.114 -8.794 4.830 1.00 65.23 H new ATOM 0 HD23 LEU A 54 -3.667 -8.047 5.547 1.00 65.23 H new ATOM 844 N ILE A 55 -2.272 -7.604 1.388 1.00 60.22 N ATOM 845 CA ILE A 55 -1.850 -7.743 -0.003 1.00 34.22 C ATOM 846 C ILE A 55 -2.750 -8.743 -0.751 1.00 11.11 C ATOM 847 O ILE A 55 -3.146 -9.773 -0.201 1.00 62.12 O ATOM 848 CB ILE A 55 -0.371 -8.207 -0.089 1.00 22.41 C ATOM 849 CG1 ILE A 55 0.121 -8.218 -1.547 1.00 73.20 C ATOM 850 CG2 ILE A 55 -0.191 -9.589 0.548 1.00 14.45 C ATOM 851 CD1 ILE A 55 0.128 -6.850 -2.203 1.00 30.33 C ATOM 0 H ILE A 55 -2.360 -8.488 1.889 1.00 60.22 H new ATOM 0 HA ILE A 55 -1.941 -6.764 -0.475 1.00 34.22 H new ATOM 0 HB ILE A 55 0.233 -7.492 0.469 1.00 22.41 H new ATOM 0 HG12 ILE A 55 1.130 -8.630 -1.577 1.00 73.20 H new ATOM 0 HG13 ILE A 55 -0.513 -8.886 -2.129 1.00 73.20 H new ATOM 0 HG21 ILE A 55 0.854 -9.890 0.474 1.00 14.45 H new ATOM 0 HG22 ILE A 55 -0.483 -9.547 1.597 1.00 14.45 H new ATOM 0 HG23 ILE A 55 -0.815 -10.314 0.026 1.00 14.45 H new ATOM 0 HD11 ILE A 55 0.487 -6.940 -3.228 1.00 30.33 H new ATOM 0 HD12 ILE A 55 -0.883 -6.443 -2.207 1.00 30.33 H new ATOM 0 HD13 ILE A 55 0.785 -6.183 -1.646 1.00 30.33 H new ATOM 863 N THR A 56 -3.097 -8.422 -1.993 1.00 13.01 N ATOM 864 CA THR A 56 -3.838 -9.362 -2.843 1.00 5.42 C ATOM 865 C THR A 56 -2.935 -10.525 -3.272 1.00 63.34 C ATOM 866 O THR A 56 -1.725 -10.357 -3.414 1.00 51.24 O ATOM 867 CB THR A 56 -4.404 -8.676 -4.109 1.00 11.13 C ATOM 868 OG1 THR A 56 -3.340 -8.130 -4.901 1.00 32.20 O ATOM 869 CG2 THR A 56 -5.386 -7.569 -3.746 1.00 65.53 C ATOM 0 H THR A 56 -2.882 -7.528 -2.435 1.00 13.01 H new ATOM 0 HA THR A 56 -4.672 -9.735 -2.248 1.00 5.42 H new ATOM 0 HB THR A 56 -4.933 -9.435 -4.685 1.00 11.13 H new ATOM 0 HG1 THR A 56 -3.249 -8.648 -5.728 1.00 32.20 H new ATOM 0 HG21 THR A 56 -5.766 -7.107 -4.657 1.00 65.53 H new ATOM 0 HG22 THR A 56 -6.216 -7.991 -3.180 1.00 65.53 H new ATOM 0 HG23 THR A 56 -4.879 -6.817 -3.141 1.00 65.53 H new ATOM 877 N ARG A 57 -3.519 -11.701 -3.492 1.00 30.21 N ATOM 878 CA ARG A 57 -2.742 -12.903 -3.845 1.00 20.02 C ATOM 879 C ARG A 57 -1.943 -12.732 -5.164 1.00 51.32 C ATOM 880 O ARG A 57 -1.047 -13.528 -5.471 1.00 60.52 O ATOM 881 CB ARG A 57 -3.682 -14.114 -3.931 1.00 71.20 C ATOM 882 CG ARG A 57 -2.969 -15.449 -4.115 1.00 22.32 C ATOM 883 CD ARG A 57 -3.945 -16.620 -4.063 1.00 24.43 C ATOM 884 NE ARG A 57 -3.278 -17.901 -4.283 1.00 55.33 N ATOM 885 CZ ARG A 57 -3.501 -18.981 -3.581 1.00 34.21 C ATOM 886 NH1 ARG A 57 -4.345 -18.972 -2.597 1.00 52.23 N ATOM 887 NH2 ARG A 57 -2.873 -20.072 -3.868 1.00 41.52 N ATOM 0 H ARG A 57 -4.526 -11.854 -3.434 1.00 30.21 H new ATOM 0 HA ARG A 57 -2.005 -13.065 -3.058 1.00 20.02 H new ATOM 0 HB2 ARG A 57 -4.283 -14.158 -3.023 1.00 71.20 H new ATOM 0 HB3 ARG A 57 -4.371 -13.966 -4.762 1.00 71.20 H new ATOM 0 HG2 ARG A 57 -2.445 -15.453 -5.071 1.00 22.32 H new ATOM 0 HG3 ARG A 57 -2.214 -15.569 -3.338 1.00 22.32 H new ATOM 0 HD2 ARG A 57 -4.444 -16.633 -3.094 1.00 24.43 H new ATOM 0 HD3 ARG A 57 -4.719 -16.480 -4.818 1.00 24.43 H new ATOM 0 HE ARG A 57 -2.592 -17.956 -5.035 1.00 55.33 H new ATOM 0 HH11 ARG A 57 -4.845 -18.115 -2.362 1.00 52.23 H new ATOM 0 HH12 ARG A 57 -4.509 -19.822 -2.058 1.00 52.23 H new ATOM 0 HH21 ARG A 57 -2.206 -20.089 -4.640 1.00 41.52 H new ATOM 0 HH22 ARG A 57 -3.044 -20.917 -3.323 1.00 41.52 H new ATOM 901 N ASP A 58 -2.268 -11.701 -5.944 1.00 23.11 N ATOM 902 CA ASP A 58 -1.527 -11.388 -7.181 1.00 5.32 C ATOM 903 C ASP A 58 -0.705 -10.085 -7.052 1.00 72.23 C ATOM 904 O ASP A 58 -0.125 -9.605 -8.025 1.00 52.41 O ATOM 905 CB ASP A 58 -2.499 -11.310 -8.371 1.00 21.55 C ATOM 906 CG ASP A 58 -3.752 -10.505 -8.075 1.00 44.01 C ATOM 907 OD1 ASP A 58 -3.715 -9.610 -7.200 1.00 62.21 O ATOM 908 OD2 ASP A 58 -4.791 -10.758 -8.719 1.00 52.23 O ATOM 0 H ASP A 58 -3.039 -11.064 -5.747 1.00 23.11 H new ATOM 0 HA ASP A 58 -0.815 -12.194 -7.356 1.00 5.32 H new ATOM 0 HB2 ASP A 58 -1.984 -10.866 -9.223 1.00 21.55 H new ATOM 0 HB3 ASP A 58 -2.786 -12.320 -8.663 1.00 21.55 H new ATOM 913 N ARG A 59 -0.661 -9.532 -5.837 1.00 74.01 N ATOM 914 CA ARG A 59 0.153 -8.345 -5.515 1.00 43.03 C ATOM 915 C ARG A 59 -0.206 -7.099 -6.358 1.00 43.00 C ATOM 916 O ARG A 59 0.678 -6.339 -6.762 1.00 34.41 O ATOM 917 CB ARG A 59 1.651 -8.671 -5.654 1.00 51.12 C ATOM 918 CG ARG A 59 2.119 -9.810 -4.749 1.00 75.40 C ATOM 919 CD ARG A 59 3.636 -9.982 -4.784 1.00 24.32 C ATOM 920 NE ARG A 59 4.068 -11.162 -4.035 1.00 1.35 N ATOM 921 CZ ARG A 59 5.076 -11.194 -3.200 1.00 14.32 C ATOM 922 NH1 ARG A 59 5.753 -10.124 -2.926 1.00 0.25 N ATOM 923 NH2 ARG A 59 5.390 -12.304 -2.622 1.00 2.22 N ATOM 0 H ARG A 59 -1.189 -9.892 -5.042 1.00 74.01 H new ATOM 0 HA ARG A 59 -0.076 -8.089 -4.480 1.00 43.03 H new ATOM 0 HB2 ARG A 59 1.862 -8.933 -6.691 1.00 51.12 H new ATOM 0 HB3 ARG A 59 2.231 -7.777 -5.427 1.00 51.12 H new ATOM 0 HG2 ARG A 59 1.800 -9.614 -3.725 1.00 75.40 H new ATOM 0 HG3 ARG A 59 1.641 -10.739 -5.059 1.00 75.40 H new ATOM 0 HD2 ARG A 59 3.968 -10.067 -5.819 1.00 24.32 H new ATOM 0 HD3 ARG A 59 4.112 -9.094 -4.368 1.00 24.32 H new ATOM 0 HE ARG A 59 3.544 -12.026 -4.174 1.00 1.35 H new ATOM 0 HH11 ARG A 59 5.504 -9.237 -3.363 1.00 0.25 H new ATOM 0 HH12 ARG A 59 6.535 -10.169 -2.273 1.00 0.25 H new ATOM 0 HH21 ARG A 59 4.854 -13.150 -2.817 1.00 2.22 H new ATOM 0 HH22 ARG A 59 6.174 -12.336 -1.970 1.00 2.22 H new ATOM 937 N LYS A 60 -1.496 -6.868 -6.591 1.00 42.45 N ATOM 938 CA LYS A 60 -1.948 -5.664 -7.309 1.00 43.41 C ATOM 939 C LYS A 60 -2.341 -4.541 -6.339 1.00 22.33 C ATOM 940 O LYS A 60 -2.080 -3.363 -6.590 1.00 0.23 O ATOM 941 CB LYS A 60 -3.153 -5.975 -8.209 1.00 24.22 C ATOM 942 CG LYS A 60 -2.938 -7.120 -9.192 1.00 2.53 C ATOM 943 CD LYS A 60 -4.083 -7.214 -10.205 1.00 40.44 C ATOM 944 CE LYS A 60 -5.456 -7.163 -9.532 1.00 73.44 C ATOM 945 NZ LYS A 60 -5.675 -8.298 -8.595 1.00 10.00 N ATOM 0 H LYS A 60 -2.248 -7.491 -6.297 1.00 42.45 H new ATOM 0 HA LYS A 60 -1.108 -5.334 -7.920 1.00 43.41 H new ATOM 0 HB2 LYS A 60 -4.009 -6.213 -7.577 1.00 24.22 H new ATOM 0 HB3 LYS A 60 -3.411 -5.077 -8.770 1.00 24.22 H new ATOM 0 HG2 LYS A 60 -1.995 -6.975 -9.720 1.00 2.53 H new ATOM 0 HG3 LYS A 60 -2.857 -8.060 -8.645 1.00 2.53 H new ATOM 0 HD2 LYS A 60 -4.001 -6.396 -10.921 1.00 40.44 H new ATOM 0 HD3 LYS A 60 -3.991 -8.142 -10.769 1.00 40.44 H new ATOM 0 HE2 LYS A 60 -5.556 -6.223 -8.989 1.00 73.44 H new ATOM 0 HE3 LYS A 60 -6.232 -7.173 -10.297 1.00 73.44 H new ATOM 0 HZ1 LYS A 60 -6.521 -8.114 -8.018 1.00 10.00 H new ATOM 0 HZ2 LYS A 60 -5.810 -9.175 -9.138 1.00 10.00 H new ATOM 0 HZ3 LYS A 60 -4.847 -8.400 -7.973 1.00 10.00 H new ATOM 959 N GLN A 61 -2.982 -4.909 -5.229 1.00 62.01 N ATOM 960 CA GLN A 61 -3.523 -3.922 -4.284 1.00 62.50 C ATOM 961 C GLN A 61 -2.994 -4.143 -2.858 1.00 23.43 C ATOM 962 O GLN A 61 -2.894 -5.279 -2.389 1.00 64.11 O ATOM 963 CB GLN A 61 -5.058 -3.988 -4.275 1.00 51.31 C ATOM 964 CG GLN A 61 -5.699 -3.764 -5.640 1.00 2.43 C ATOM 965 CD GLN A 61 -7.204 -3.975 -5.628 1.00 42.52 C ATOM 966 OE1 GLN A 61 -7.978 -3.055 -5.398 1.00 51.32 O ATOM 967 NE2 GLN A 61 -7.629 -5.199 -5.866 1.00 10.55 N ATOM 0 H GLN A 61 -3.141 -5.880 -4.960 1.00 62.01 H new ATOM 0 HA GLN A 61 -3.194 -2.938 -4.617 1.00 62.50 H new ATOM 0 HB2 GLN A 61 -5.367 -4.962 -3.896 1.00 51.31 H new ATOM 0 HB3 GLN A 61 -5.439 -3.240 -3.580 1.00 51.31 H new ATOM 0 HG2 GLN A 61 -5.482 -2.750 -5.976 1.00 2.43 H new ATOM 0 HG3 GLN A 61 -5.248 -4.443 -6.364 1.00 2.43 H new ATOM 0 HE21 GLN A 61 -6.958 -5.944 -6.054 1.00 10.55 H new ATOM 0 HE22 GLN A 61 -8.629 -5.402 -5.862 1.00 10.55 H new ATOM 976 N VAL A 62 -2.671 -3.042 -2.180 1.00 25.25 N ATOM 977 CA VAL A 62 -2.206 -3.073 -0.787 1.00 21.43 C ATOM 978 C VAL A 62 -3.147 -2.253 0.116 1.00 64.22 C ATOM 979 O VAL A 62 -3.247 -1.039 -0.028 1.00 21.44 O ATOM 980 CB VAL A 62 -0.763 -2.509 -0.662 1.00 11.54 C ATOM 981 CG1 VAL A 62 -0.281 -2.553 0.791 1.00 4.15 C ATOM 982 CG2 VAL A 62 0.198 -3.267 -1.578 1.00 2.42 C ATOM 0 H VAL A 62 -2.723 -2.104 -2.577 1.00 25.25 H new ATOM 0 HA VAL A 62 -2.207 -4.115 -0.467 1.00 21.43 H new ATOM 0 HB VAL A 62 -0.781 -1.466 -0.978 1.00 11.54 H new ATOM 0 HG11 VAL A 62 0.731 -2.153 0.851 1.00 4.15 H new ATOM 0 HG12 VAL A 62 -0.946 -1.954 1.413 1.00 4.15 H new ATOM 0 HG13 VAL A 62 -0.285 -3.584 1.145 1.00 4.15 H new ATOM 0 HG21 VAL A 62 1.202 -2.855 -1.473 1.00 2.42 H new ATOM 0 HG22 VAL A 62 0.208 -4.321 -1.302 1.00 2.42 H new ATOM 0 HG23 VAL A 62 -0.130 -3.166 -2.613 1.00 2.42 H new ATOM 992 N PHE A 63 -3.833 -2.922 1.041 1.00 44.45 N ATOM 993 CA PHE A 63 -4.797 -2.252 1.931 1.00 65.01 C ATOM 994 C PHE A 63 -4.160 -1.893 3.281 1.00 40.05 C ATOM 995 O PHE A 63 -3.194 -2.522 3.711 1.00 72.42 O ATOM 996 CB PHE A 63 -6.032 -3.139 2.153 1.00 24.03 C ATOM 997 CG PHE A 63 -6.816 -3.413 0.892 1.00 70.11 C ATOM 998 CD1 PHE A 63 -6.421 -4.416 0.016 1.00 52.41 C ATOM 999 CD2 PHE A 63 -7.944 -2.666 0.582 1.00 71.01 C ATOM 1000 CE1 PHE A 63 -7.135 -4.665 -1.141 1.00 33.11 C ATOM 1001 CE2 PHE A 63 -8.660 -2.913 -0.574 1.00 63.03 C ATOM 1002 CZ PHE A 63 -8.256 -3.914 -1.436 1.00 64.11 C ATOM 0 H PHE A 63 -3.744 -3.926 1.199 1.00 44.45 H new ATOM 0 HA PHE A 63 -5.105 -1.327 1.444 1.00 65.01 H new ATOM 0 HB2 PHE A 63 -5.714 -4.087 2.586 1.00 24.03 H new ATOM 0 HB3 PHE A 63 -6.687 -2.660 2.881 1.00 24.03 H new ATOM 0 HD1 PHE A 63 -5.546 -5.008 0.241 1.00 52.41 H new ATOM 0 HD2 PHE A 63 -8.266 -1.883 1.252 1.00 71.01 H new ATOM 0 HE1 PHE A 63 -6.816 -5.447 -1.814 1.00 33.11 H new ATOM 0 HE2 PHE A 63 -9.535 -2.323 -0.803 1.00 63.03 H new ATOM 0 HZ PHE A 63 -8.816 -4.109 -2.339 1.00 64.11 H new ATOM 1012 N ARG A 64 -4.713 -0.884 3.946 1.00 62.40 N ATOM 1013 CA ARG A 64 -4.163 -0.380 5.210 1.00 21.41 C ATOM 1014 C ARG A 64 -4.829 -1.032 6.434 1.00 74.42 C ATOM 1015 O ARG A 64 -6.044 -1.196 6.489 1.00 41.15 O ATOM 1016 CB ARG A 64 -4.321 1.152 5.259 1.00 74.33 C ATOM 1017 CG ARG A 64 -4.155 1.771 6.645 1.00 64.53 C ATOM 1018 CD ARG A 64 -4.164 3.301 6.587 1.00 21.21 C ATOM 1019 NE ARG A 64 -4.488 3.905 7.883 1.00 62.12 N ATOM 1020 CZ ARG A 64 -3.830 4.888 8.441 1.00 32.54 C ATOM 1021 NH1 ARG A 64 -2.754 5.365 7.900 1.00 50.13 N ATOM 1022 NH2 ARG A 64 -4.254 5.397 9.552 1.00 4.21 N ATOM 0 H ARG A 64 -5.549 -0.392 3.631 1.00 62.40 H new ATOM 0 HA ARG A 64 -3.106 -0.644 5.249 1.00 21.41 H new ATOM 0 HB2 ARG A 64 -3.589 1.600 4.587 1.00 74.33 H new ATOM 0 HB3 ARG A 64 -5.307 1.413 4.876 1.00 74.33 H new ATOM 0 HG2 ARG A 64 -4.959 1.427 7.296 1.00 64.53 H new ATOM 0 HG3 ARG A 64 -3.219 1.429 7.086 1.00 64.53 H new ATOM 0 HD2 ARG A 64 -3.187 3.656 6.257 1.00 21.21 H new ATOM 0 HD3 ARG A 64 -4.890 3.630 5.844 1.00 21.21 H new ATOM 0 HE ARG A 64 -5.290 3.529 8.389 1.00 62.12 H new ATOM 0 HH11 ARG A 64 -2.407 4.974 7.024 1.00 50.13 H new ATOM 0 HH12 ARG A 64 -2.254 6.132 8.350 1.00 50.13 H new ATOM 0 HH21 ARG A 64 -5.099 5.032 9.991 1.00 4.21 H new ATOM 0 HH22 ARG A 64 -3.743 6.164 9.990 1.00 4.21 H new ATOM 1036 N ILE A 65 -4.014 -1.416 7.415 1.00 32.10 N ATOM 1037 CA ILE A 65 -4.528 -1.934 8.688 1.00 54.55 C ATOM 1038 C ILE A 65 -4.198 -0.972 9.838 1.00 3.11 C ATOM 1039 O ILE A 65 -3.041 -0.593 10.030 1.00 40.32 O ATOM 1040 CB ILE A 65 -3.955 -3.337 9.017 1.00 23.32 C ATOM 1041 CG1 ILE A 65 -4.280 -4.327 7.888 1.00 72.23 C ATOM 1042 CG2 ILE A 65 -4.505 -3.844 10.352 1.00 43.54 C ATOM 1043 CD1 ILE A 65 -3.771 -5.734 8.139 1.00 21.44 C ATOM 0 H ILE A 65 -2.996 -1.380 7.356 1.00 32.10 H new ATOM 0 HA ILE A 65 -5.609 -2.021 8.580 1.00 54.55 H new ATOM 0 HB ILE A 65 -2.871 -3.255 9.103 1.00 23.32 H new ATOM 0 HG12 ILE A 65 -5.360 -4.362 7.748 1.00 72.23 H new ATOM 0 HG13 ILE A 65 -3.850 -3.956 6.958 1.00 72.23 H new ATOM 0 HG21 ILE A 65 -4.091 -4.830 10.565 1.00 43.54 H new ATOM 0 HG22 ILE A 65 -4.225 -3.153 11.147 1.00 43.54 H new ATOM 0 HG23 ILE A 65 -5.592 -3.911 10.296 1.00 43.54 H new ATOM 0 HD11 ILE A 65 -4.039 -6.373 7.298 1.00 21.44 H new ATOM 0 HD12 ILE A 65 -2.687 -5.715 8.248 1.00 21.44 H new ATOM 0 HD13 ILE A 65 -4.221 -6.126 9.051 1.00 21.44 H new ATOM 1055 N GLU A 66 -5.221 -0.578 10.592 1.00 51.03 N ATOM 1056 CA GLU A 66 -5.046 0.340 11.725 1.00 12.24 C ATOM 1057 C GLU A 66 -6.030 0.001 12.855 1.00 71.04 C ATOM 1058 O GLU A 66 -7.132 -0.482 12.599 1.00 32.10 O ATOM 1059 CB GLU A 66 -5.238 1.791 11.262 1.00 53.11 C ATOM 1060 CG GLU A 66 -6.659 2.125 10.825 1.00 62.22 C ATOM 1061 CD GLU A 66 -6.773 3.536 10.273 1.00 4.14 C ATOM 1062 OE1 GLU A 66 -6.556 4.499 11.040 1.00 60.24 O ATOM 1063 OE2 GLU A 66 -7.056 3.691 9.068 1.00 11.40 O ATOM 0 H GLU A 66 -6.184 -0.879 10.442 1.00 51.03 H new ATOM 0 HA GLU A 66 -4.033 0.226 12.111 1.00 12.24 H new ATOM 0 HB2 GLU A 66 -4.953 2.460 12.074 1.00 53.11 H new ATOM 0 HB3 GLU A 66 -4.559 1.989 10.433 1.00 53.11 H new ATOM 0 HG2 GLU A 66 -6.981 1.412 10.065 1.00 62.22 H new ATOM 0 HG3 GLU A 66 -7.334 2.013 11.673 1.00 62.22 H new ATOM 1070 N ASP A 67 -5.612 0.232 14.104 1.00 3.45 N ATOM 1071 CA ASP A 67 -6.422 -0.116 15.282 1.00 62.33 C ATOM 1072 C ASP A 67 -6.699 -1.637 15.311 1.00 30.52 C ATOM 1073 O ASP A 67 -7.663 -2.099 15.921 1.00 42.24 O ATOM 1074 CB ASP A 67 -7.730 0.700 15.270 1.00 13.30 C ATOM 1075 CG ASP A 67 -8.547 0.558 16.545 1.00 42.02 C ATOM 1076 OD1 ASP A 67 -8.091 1.036 17.605 1.00 72.12 O ATOM 1077 OD2 ASP A 67 -9.652 -0.027 16.495 1.00 10.13 O ATOM 0 H ASP A 67 -4.714 0.660 14.328 1.00 3.45 H new ATOM 0 HA ASP A 67 -5.873 0.134 16.190 1.00 62.33 H new ATOM 0 HB2 ASP A 67 -7.491 1.752 15.117 1.00 13.30 H new ATOM 0 HB3 ASP A 67 -8.338 0.385 14.422 1.00 13.30 H new ATOM 1082 N SER A 68 -5.806 -2.406 14.669 1.00 11.43 N ATOM 1083 CA SER A 68 -5.976 -3.866 14.483 1.00 12.11 C ATOM 1084 C SER A 68 -7.135 -4.193 13.527 1.00 4.53 C ATOM 1085 O SER A 68 -7.506 -5.354 13.361 1.00 40.52 O ATOM 1086 CB SER A 68 -6.188 -4.590 15.825 1.00 31.54 C ATOM 1087 OG SER A 68 -5.037 -4.495 16.655 1.00 70.25 O ATOM 0 H SER A 68 -4.945 -2.039 14.263 1.00 11.43 H new ATOM 0 HA SER A 68 -5.050 -4.227 14.035 1.00 12.11 H new ATOM 0 HB2 SER A 68 -7.046 -4.159 16.341 1.00 31.54 H new ATOM 0 HB3 SER A 68 -6.420 -5.639 15.641 1.00 31.54 H new ATOM 0 HG SER A 68 -5.203 -4.963 17.500 1.00 70.25 H new ATOM 1093 N ILE A 69 -7.690 -3.166 12.890 1.00 10.22 N ATOM 1094 CA ILE A 69 -8.790 -3.337 11.938 1.00 14.11 C ATOM 1095 C ILE A 69 -8.274 -3.342 10.487 1.00 12.34 C ATOM 1096 O ILE A 69 -7.664 -2.370 10.033 1.00 11.14 O ATOM 1097 CB ILE A 69 -9.844 -2.209 12.094 1.00 12.03 C ATOM 1098 CG1 ILE A 69 -10.390 -2.178 13.532 1.00 61.25 C ATOM 1099 CG2 ILE A 69 -10.985 -2.376 11.087 1.00 31.52 C ATOM 1100 CD1 ILE A 69 -11.055 -3.470 13.965 1.00 34.34 C ATOM 0 H ILE A 69 -7.395 -2.198 13.016 1.00 10.22 H new ATOM 0 HA ILE A 69 -9.255 -4.298 12.157 1.00 14.11 H new ATOM 0 HB ILE A 69 -9.353 -1.258 11.888 1.00 12.03 H new ATOM 0 HG12 ILE A 69 -9.571 -1.955 14.216 1.00 61.25 H new ATOM 0 HG13 ILE A 69 -11.109 -1.364 13.620 1.00 61.25 H new ATOM 0 HG21 ILE A 69 -11.708 -1.571 11.220 1.00 31.52 H new ATOM 0 HG22 ILE A 69 -10.584 -2.340 10.074 1.00 31.52 H new ATOM 0 HG23 ILE A 69 -11.476 -3.336 11.249 1.00 31.52 H new ATOM 0 HD11 ILE A 69 -11.414 -3.369 14.989 1.00 34.34 H new ATOM 0 HD12 ILE A 69 -11.896 -3.685 13.306 1.00 34.34 H new ATOM 0 HD13 ILE A 69 -10.334 -4.286 13.912 1.00 34.34 H new ATOM 1112 N PRO A 70 -8.482 -4.448 9.746 1.00 1.22 N ATOM 1113 CA PRO A 70 -8.117 -4.528 8.328 1.00 40.25 C ATOM 1114 C PRO A 70 -9.061 -3.693 7.452 1.00 4.10 C ATOM 1115 O PRO A 70 -10.186 -4.108 7.164 1.00 14.53 O ATOM 1116 CB PRO A 70 -8.245 -6.032 7.993 1.00 64.11 C ATOM 1117 CG PRO A 70 -8.461 -6.726 9.304 1.00 63.24 C ATOM 1118 CD PRO A 70 -9.076 -5.706 10.224 1.00 63.35 C ATOM 0 HA PRO A 70 -7.119 -4.133 8.139 1.00 40.25 H new ATOM 0 HB2 PRO A 70 -9.078 -6.212 7.314 1.00 64.11 H new ATOM 0 HB3 PRO A 70 -7.346 -6.400 7.499 1.00 64.11 H new ATOM 0 HG2 PRO A 70 -9.117 -7.588 9.184 1.00 63.24 H new ATOM 0 HG3 PRO A 70 -7.519 -7.096 9.708 1.00 63.24 H new ATOM 0 HD2 PRO A 70 -10.163 -5.696 10.149 1.00 63.35 H new ATOM 0 HD3 PRO A 70 -8.830 -5.900 11.268 1.00 63.35 H new ATOM 1126 N VAL A 71 -8.613 -2.507 7.045 1.00 25.30 N ATOM 1127 CA VAL A 71 -9.444 -1.612 6.235 1.00 74.45 C ATOM 1128 C VAL A 71 -9.517 -2.111 4.780 1.00 22.15 C ATOM 1129 O VAL A 71 -8.503 -2.473 4.184 1.00 42.53 O ATOM 1130 CB VAL A 71 -8.911 -0.156 6.273 1.00 53.45 C ATOM 1131 CG1 VAL A 71 -9.912 0.805 5.636 1.00 35.21 C ATOM 1132 CG2 VAL A 71 -8.581 0.263 7.711 1.00 10.41 C ATOM 0 H VAL A 71 -7.685 -2.143 7.260 1.00 25.30 H new ATOM 0 HA VAL A 71 -10.447 -1.617 6.662 1.00 74.45 H new ATOM 0 HB VAL A 71 -7.990 -0.114 5.691 1.00 53.45 H new ATOM 0 HG11 VAL A 71 -9.517 1.820 5.674 1.00 35.21 H new ATOM 0 HG12 VAL A 71 -10.080 0.520 4.597 1.00 35.21 H new ATOM 0 HG13 VAL A 71 -10.855 0.762 6.181 1.00 35.21 H new ATOM 0 HG21 VAL A 71 -8.209 1.287 7.715 1.00 10.41 H new ATOM 0 HG22 VAL A 71 -9.481 0.201 8.323 1.00 10.41 H new ATOM 0 HG23 VAL A 71 -7.819 -0.402 8.118 1.00 10.41 H new ATOM 1142 N LEU A 72 -10.730 -2.162 4.228 1.00 60.53 N ATOM 1143 CA LEU A 72 -10.952 -2.698 2.875 1.00 41.45 C ATOM 1144 C LEU A 72 -11.615 -1.653 1.957 1.00 50.53 C ATOM 1145 O LEU A 72 -12.471 -1.986 1.127 1.00 53.42 O ATOM 1146 CB LEU A 72 -11.834 -3.958 2.965 1.00 4.10 C ATOM 1147 CG LEU A 72 -11.326 -5.057 3.916 1.00 45.11 C ATOM 1148 CD1 LEU A 72 -12.303 -6.232 3.963 1.00 42.10 C ATOM 1149 CD2 LEU A 72 -9.932 -5.527 3.507 1.00 12.40 C ATOM 0 H LEU A 72 -11.578 -1.839 4.694 1.00 60.53 H new ATOM 0 HA LEU A 72 -9.985 -2.953 2.442 1.00 41.45 H new ATOM 0 HB2 LEU A 72 -12.832 -3.659 3.284 1.00 4.10 H new ATOM 0 HB3 LEU A 72 -11.932 -4.383 1.966 1.00 4.10 H new ATOM 0 HG LEU A 72 -11.260 -4.632 4.918 1.00 45.11 H new ATOM 0 HD11 LEU A 72 -11.922 -6.995 4.641 1.00 42.10 H new ATOM 0 HD12 LEU A 72 -13.274 -5.884 4.317 1.00 42.10 H new ATOM 0 HD13 LEU A 72 -12.411 -6.656 2.964 1.00 42.10 H new ATOM 0 HD21 LEU A 72 -9.594 -6.303 4.193 1.00 12.40 H new ATOM 0 HD22 LEU A 72 -9.966 -5.928 2.494 1.00 12.40 H new ATOM 0 HD23 LEU A 72 -9.240 -4.686 3.541 1.00 12.40 H new ATOM 1161 N LEU A 73 -11.188 -0.400 2.079 1.00 14.45 N ATOM 1162 CA LEU A 73 -11.816 0.711 1.355 1.00 24.00 C ATOM 1163 C LEU A 73 -10.924 1.221 0.211 1.00 44.23 C ATOM 1164 O LEU A 73 -9.778 1.596 0.428 1.00 24.24 O ATOM 1165 CB LEU A 73 -12.116 1.863 2.324 1.00 12.31 C ATOM 1166 CG LEU A 73 -13.051 1.509 3.494 1.00 4.32 C ATOM 1167 CD1 LEU A 73 -13.277 2.722 4.393 1.00 64.34 C ATOM 1168 CD2 LEU A 73 -14.379 0.962 2.975 1.00 42.51 C ATOM 0 H LEU A 73 -10.407 -0.123 2.674 1.00 14.45 H new ATOM 0 HA LEU A 73 -12.744 0.340 0.920 1.00 24.00 H new ATOM 0 HB2 LEU A 73 -11.173 2.229 2.731 1.00 12.31 H new ATOM 0 HB3 LEU A 73 -12.560 2.684 1.761 1.00 12.31 H new ATOM 0 HG LEU A 73 -12.573 0.732 4.090 1.00 4.32 H new ATOM 0 HD11 LEU A 73 -13.941 2.448 5.213 1.00 64.34 H new ATOM 0 HD12 LEU A 73 -12.322 3.059 4.796 1.00 64.34 H new ATOM 0 HD13 LEU A 73 -13.730 3.526 3.812 1.00 64.34 H new ATOM 0 HD21 LEU A 73 -15.026 0.718 3.817 1.00 42.51 H new ATOM 0 HD22 LEU A 73 -14.863 1.714 2.352 1.00 42.51 H new ATOM 0 HD23 LEU A 73 -14.197 0.064 2.385 1.00 42.51 H new ATOM 1180 N PRO A 74 -11.447 1.282 -1.026 1.00 1.32 N ATOM 1181 CA PRO A 74 -10.665 1.753 -2.181 1.00 32.24 C ATOM 1182 C PRO A 74 -10.030 3.136 -1.941 1.00 14.21 C ATOM 1183 O PRO A 74 -8.940 3.428 -2.433 1.00 31.14 O ATOM 1184 CB PRO A 74 -11.696 1.809 -3.324 1.00 43.14 C ATOM 1185 CG PRO A 74 -13.034 1.717 -2.661 1.00 30.23 C ATOM 1186 CD PRO A 74 -12.821 0.918 -1.406 1.00 51.43 C ATOM 0 HA PRO A 74 -9.822 1.096 -2.393 1.00 32.24 H new ATOM 0 HB2 PRO A 74 -11.602 2.735 -3.892 1.00 43.14 H new ATOM 0 HB3 PRO A 74 -11.549 0.988 -4.026 1.00 43.14 H new ATOM 0 HG2 PRO A 74 -13.424 2.708 -2.431 1.00 30.23 H new ATOM 0 HG3 PRO A 74 -13.760 1.232 -3.314 1.00 30.23 H new ATOM 0 HD2 PRO A 74 -13.540 1.182 -0.630 1.00 51.43 H new ATOM 0 HD3 PRO A 74 -12.923 -0.153 -1.584 1.00 51.43 H new ATOM 1194 N GLU A 75 -10.705 3.971 -1.150 1.00 32.02 N ATOM 1195 CA GLU A 75 -10.230 5.332 -0.870 1.00 21.02 C ATOM 1196 C GLU A 75 -8.911 5.356 -0.076 1.00 32.10 C ATOM 1197 O GLU A 75 -8.271 6.405 0.025 1.00 62.14 O ATOM 1198 CB GLU A 75 -11.296 6.127 -0.103 1.00 11.21 C ATOM 1199 CG GLU A 75 -11.672 5.515 1.245 1.00 64.41 C ATOM 1200 CD GLU A 75 -12.577 6.417 2.068 1.00 43.25 C ATOM 1201 OE1 GLU A 75 -13.815 6.331 1.917 1.00 33.33 O ATOM 1202 OE2 GLU A 75 -12.056 7.226 2.864 1.00 22.51 O ATOM 0 H GLU A 75 -11.583 3.731 -0.690 1.00 32.02 H new ATOM 0 HA GLU A 75 -10.041 5.794 -1.839 1.00 21.02 H new ATOM 0 HB2 GLU A 75 -10.933 7.142 0.058 1.00 11.21 H new ATOM 0 HB3 GLU A 75 -12.192 6.203 -0.719 1.00 11.21 H new ATOM 0 HG2 GLU A 75 -12.171 4.560 1.079 1.00 64.41 H new ATOM 0 HG3 GLU A 75 -10.764 5.306 1.810 1.00 64.41 H new ATOM 1209 N GLU A 76 -8.521 4.223 0.511 1.00 31.30 N ATOM 1210 CA GLU A 76 -7.240 4.125 1.227 1.00 62.30 C ATOM 1211 C GLU A 76 -6.295 3.097 0.579 1.00 22.33 C ATOM 1212 O GLU A 76 -5.074 3.181 0.742 1.00 20.30 O ATOM 1213 CB GLU A 76 -7.472 3.817 2.722 1.00 53.41 C ATOM 1214 CG GLU A 76 -8.399 2.630 3.017 1.00 34.25 C ATOM 1215 CD GLU A 76 -7.757 1.262 2.803 1.00 32.13 C ATOM 1216 OE1 GLU A 76 -6.537 1.133 3.020 1.00 31.14 O ATOM 1217 OE2 GLU A 76 -8.483 0.310 2.442 1.00 35.14 O ATOM 0 H GLU A 76 -9.068 3.362 0.507 1.00 31.30 H new ATOM 0 HA GLU A 76 -6.747 5.094 1.154 1.00 62.30 H new ATOM 0 HB2 GLU A 76 -6.506 3.626 3.190 1.00 53.41 H new ATOM 0 HB3 GLU A 76 -7.886 4.706 3.198 1.00 53.41 H new ATOM 0 HG2 GLU A 76 -8.742 2.700 4.049 1.00 34.25 H new ATOM 0 HG3 GLU A 76 -9.282 2.707 2.382 1.00 34.25 H new ATOM 1224 N ALA A 77 -6.866 2.159 -0.176 1.00 43.20 N ATOM 1225 CA ALA A 77 -6.095 1.103 -0.844 1.00 52.44 C ATOM 1226 C ALA A 77 -5.017 1.660 -1.794 1.00 21.31 C ATOM 1227 O ALA A 77 -5.283 2.543 -2.619 1.00 5.55 O ATOM 1228 CB ALA A 77 -7.036 0.178 -1.608 1.00 25.41 C ATOM 0 H ALA A 77 -7.871 2.107 -0.343 1.00 43.20 H new ATOM 0 HA ALA A 77 -5.575 0.546 -0.065 1.00 52.44 H new ATOM 0 HB1 ALA A 77 -6.457 -0.603 -2.101 1.00 25.41 H new ATOM 0 HB2 ALA A 77 -7.742 -0.277 -0.913 1.00 25.41 H new ATOM 0 HB3 ALA A 77 -7.582 0.752 -2.356 1.00 25.41 H new ATOM 1234 N ILE A 78 -3.803 1.124 -1.672 1.00 23.13 N ATOM 1235 CA ILE A 78 -2.668 1.511 -2.519 1.00 21.05 C ATOM 1236 C ILE A 78 -2.569 0.612 -3.763 1.00 33.03 C ATOM 1237 O ILE A 78 -2.731 -0.605 -3.676 1.00 11.32 O ATOM 1238 CB ILE A 78 -1.318 1.429 -1.742 1.00 14.31 C ATOM 1239 CG1 ILE A 78 -1.293 2.400 -0.542 1.00 2.32 C ATOM 1240 CG2 ILE A 78 -0.136 1.706 -2.676 1.00 54.03 C ATOM 1241 CD1 ILE A 78 -2.117 1.949 0.650 1.00 65.43 C ATOM 0 H ILE A 78 -3.575 0.408 -0.983 1.00 23.13 H new ATOM 0 HA ILE A 78 -2.847 2.542 -2.824 1.00 21.05 H new ATOM 0 HB ILE A 78 -1.227 0.415 -1.353 1.00 14.31 H new ATOM 0 HG12 ILE A 78 -0.260 2.536 -0.223 1.00 2.32 H new ATOM 0 HG13 ILE A 78 -1.656 3.374 -0.871 1.00 2.32 H new ATOM 0 HG21 ILE A 78 0.795 1.644 -2.113 1.00 54.03 H new ATOM 0 HG22 ILE A 78 -0.125 0.968 -3.478 1.00 54.03 H new ATOM 0 HG23 ILE A 78 -0.236 2.704 -3.103 1.00 54.03 H new ATOM 0 HD11 ILE A 78 -2.042 2.690 1.446 1.00 65.43 H new ATOM 0 HD12 ILE A 78 -3.160 1.841 0.352 1.00 65.43 H new ATOM 0 HD13 ILE A 78 -1.742 0.991 1.010 1.00 65.43 H new ATOM 1253 N ALA A 79 -2.293 1.217 -4.917 1.00 34.20 N ATOM 1254 CA ALA A 79 -2.090 0.460 -6.158 1.00 13.51 C ATOM 1255 C ALA A 79 -0.592 0.219 -6.421 1.00 64.10 C ATOM 1256 O ALA A 79 0.181 1.168 -6.560 1.00 4.33 O ATOM 1257 CB ALA A 79 -2.720 1.202 -7.332 1.00 13.34 C ATOM 0 H ALA A 79 -2.204 2.228 -5.022 1.00 34.20 H new ATOM 0 HA ALA A 79 -2.574 -0.511 -6.049 1.00 13.51 H new ATOM 0 HB1 ALA A 79 -2.564 0.633 -8.248 1.00 13.34 H new ATOM 0 HB2 ALA A 79 -3.789 1.321 -7.156 1.00 13.34 H new ATOM 0 HB3 ALA A 79 -2.258 2.184 -7.432 1.00 13.34 H new ATOM 1263 N THR A 80 -0.191 -1.049 -6.506 1.00 15.32 N ATOM 1264 CA THR A 80 1.228 -1.403 -6.705 1.00 70.44 C ATOM 1265 C THR A 80 1.784 -0.848 -8.027 1.00 1.53 C ATOM 1266 O THR A 80 2.958 -0.488 -8.109 1.00 64.32 O ATOM 1267 CB THR A 80 1.446 -2.934 -6.674 1.00 41.53 C ATOM 1268 OG1 THR A 80 0.672 -3.565 -7.703 1.00 64.15 O ATOM 1269 CG2 THR A 80 1.066 -3.513 -5.312 1.00 52.44 C ATOM 0 H THR A 80 -0.819 -1.850 -6.441 1.00 15.32 H new ATOM 0 HA THR A 80 1.768 -0.945 -5.876 1.00 70.44 H new ATOM 0 HB THR A 80 2.504 -3.128 -6.849 1.00 41.53 H new ATOM 0 HG1 THR A 80 0.712 -4.538 -7.592 1.00 64.15 H new ATOM 0 HG21 THR A 80 1.229 -4.591 -5.317 1.00 52.44 H new ATOM 0 HG22 THR A 80 1.683 -3.056 -4.538 1.00 52.44 H new ATOM 0 HG23 THR A 80 0.015 -3.305 -5.109 1.00 52.44 H new ATOM 1277 N ILE A 81 0.928 -0.760 -9.043 1.00 44.42 N ATOM 1278 CA ILE A 81 1.310 -0.196 -10.350 1.00 55.20 C ATOM 1279 C ILE A 81 1.758 1.276 -10.222 1.00 35.13 C ATOM 1280 O ILE A 81 2.463 1.806 -11.084 1.00 61.35 O ATOM 1281 CB ILE A 81 0.132 -0.305 -11.358 1.00 12.33 C ATOM 1282 CG1 ILE A 81 0.543 0.189 -12.759 1.00 54.11 C ATOM 1283 CG2 ILE A 81 -1.088 0.463 -10.851 1.00 22.10 C ATOM 1284 CD1 ILE A 81 1.662 -0.615 -13.390 1.00 45.33 C ATOM 0 H ILE A 81 -0.042 -1.072 -8.992 1.00 44.42 H new ATOM 0 HA ILE A 81 2.154 -0.777 -10.723 1.00 55.20 H new ATOM 0 HB ILE A 81 -0.135 -1.358 -11.442 1.00 12.33 H new ATOM 0 HG12 ILE A 81 -0.328 0.158 -13.414 1.00 54.11 H new ATOM 0 HG13 ILE A 81 0.853 1.232 -12.689 1.00 54.11 H new ATOM 0 HG21 ILE A 81 -1.900 0.373 -11.572 1.00 22.10 H new ATOM 0 HG22 ILE A 81 -1.406 0.050 -9.893 1.00 22.10 H new ATOM 0 HG23 ILE A 81 -0.830 1.514 -10.725 1.00 22.10 H new ATOM 0 HD11 ILE A 81 1.894 -0.206 -14.373 1.00 45.33 H new ATOM 0 HD12 ILE A 81 2.548 -0.564 -12.757 1.00 45.33 H new ATOM 0 HD13 ILE A 81 1.350 -1.654 -13.494 1.00 45.33 H new ATOM 1296 N GLN A 82 1.342 1.932 -9.140 1.00 61.01 N ATOM 1297 CA GLN A 82 1.752 3.314 -8.859 1.00 53.11 C ATOM 1298 C GLN A 82 3.110 3.356 -8.136 1.00 71.31 C ATOM 1299 O GLN A 82 3.854 4.334 -8.239 1.00 35.32 O ATOM 1300 CB GLN A 82 0.677 4.018 -8.015 1.00 11.03 C ATOM 1301 CG GLN A 82 1.030 5.445 -7.596 1.00 51.54 C ATOM 1302 CD GLN A 82 1.208 6.396 -8.770 1.00 10.33 C ATOM 1303 OE1 GLN A 82 0.591 6.239 -9.818 1.00 11.41 O ATOM 1304 NE2 GLN A 82 2.046 7.401 -8.600 1.00 4.52 N ATOM 0 H GLN A 82 0.719 1.530 -8.439 1.00 61.01 H new ATOM 0 HA GLN A 82 1.862 3.837 -9.809 1.00 53.11 H new ATOM 0 HB2 GLN A 82 -0.254 4.039 -8.581 1.00 11.03 H new ATOM 0 HB3 GLN A 82 0.492 3.426 -7.119 1.00 11.03 H new ATOM 0 HG2 GLN A 82 0.245 5.828 -6.944 1.00 51.54 H new ATOM 0 HG3 GLN A 82 1.950 5.426 -7.011 1.00 51.54 H new ATOM 0 HE21 GLN A 82 2.545 7.505 -7.716 1.00 4.52 H new ATOM 0 HE22 GLN A 82 2.195 8.074 -9.352 1.00 4.52 H new ATOM 1313 N ILE A 83 3.431 2.284 -7.415 1.00 63.10 N ATOM 1314 CA ILE A 83 4.685 2.208 -6.662 1.00 32.33 C ATOM 1315 C ILE A 83 5.896 2.110 -7.604 1.00 74.15 C ATOM 1316 O ILE A 83 6.250 1.028 -8.074 1.00 65.23 O ATOM 1317 CB ILE A 83 4.689 0.994 -5.692 1.00 10.25 C ATOM 1318 CG1 ILE A 83 3.464 1.042 -4.765 1.00 1.41 C ATOM 1319 CG2 ILE A 83 5.982 0.957 -4.871 1.00 21.34 C ATOM 1320 CD1 ILE A 83 3.406 2.270 -3.878 1.00 1.21 C ATOM 0 H ILE A 83 2.842 1.455 -7.335 1.00 63.10 H new ATOM 0 HA ILE A 83 4.761 3.126 -6.080 1.00 32.33 H new ATOM 0 HB ILE A 83 4.638 0.082 -6.287 1.00 10.25 H new ATOM 0 HG12 ILE A 83 2.560 1.003 -5.373 1.00 1.41 H new ATOM 0 HG13 ILE A 83 3.463 0.152 -4.136 1.00 1.41 H new ATOM 0 HG21 ILE A 83 5.962 0.099 -4.199 1.00 21.34 H new ATOM 0 HG22 ILE A 83 6.837 0.873 -5.542 1.00 21.34 H new ATOM 0 HG23 ILE A 83 6.068 1.873 -4.287 1.00 21.34 H new ATOM 0 HD11 ILE A 83 2.512 2.227 -3.255 1.00 1.21 H new ATOM 0 HD12 ILE A 83 4.290 2.301 -3.242 1.00 1.21 H new ATOM 0 HD13 ILE A 83 3.373 3.166 -4.498 1.00 1.21 H new ATOM 1332 N ALA A 84 6.540 3.248 -7.857 1.00 74.15 N ATOM 1333 CA ALA A 84 7.705 3.313 -8.754 1.00 50.12 C ATOM 1334 C ALA A 84 8.932 2.552 -8.206 1.00 13.13 C ATOM 1335 O ALA A 84 10.015 2.593 -8.792 1.00 30.50 O ATOM 1336 CB ALA A 84 8.064 4.772 -9.025 1.00 54.30 C ATOM 0 H ALA A 84 6.276 4.147 -7.453 1.00 74.15 H new ATOM 0 HA ALA A 84 7.424 2.818 -9.684 1.00 50.12 H new ATOM 0 HB1 ALA A 84 8.927 4.817 -9.689 1.00 54.30 H new ATOM 0 HB2 ALA A 84 7.218 5.274 -9.495 1.00 54.30 H new ATOM 0 HB3 ALA A 84 8.304 5.268 -8.085 1.00 54.30 H new ATOM 1342 N ASN A 85 8.764 1.868 -7.073 1.00 1.33 N ATOM 1343 CA ASN A 85 9.833 1.050 -6.485 1.00 74.12 C ATOM 1344 C ASN A 85 9.483 -0.447 -6.515 1.00 43.11 C ATOM 1345 O ASN A 85 10.305 -1.290 -6.146 1.00 31.02 O ATOM 1346 CB ASN A 85 10.110 1.495 -5.044 1.00 33.52 C ATOM 1347 CG ASN A 85 10.683 2.899 -4.983 1.00 64.14 C ATOM 1348 OD1 ASN A 85 11.893 3.090 -5.021 1.00 23.44 O ATOM 1349 ND2 ASN A 85 9.824 3.892 -4.889 1.00 74.12 N ATOM 0 H ASN A 85 7.894 1.863 -6.540 1.00 1.33 H new ATOM 0 HA ASN A 85 10.730 1.196 -7.087 1.00 74.12 H new ATOM 0 HB2 ASN A 85 9.185 1.455 -4.468 1.00 33.52 H new ATOM 0 HB3 ASN A 85 10.806 0.799 -4.577 1.00 33.52 H new ATOM 0 HD21 ASN A 85 10.160 4.854 -4.846 1.00 74.12 H new ATOM 0 HD22 ASN A 85 8.823 3.699 -4.860 1.00 74.12 H new ATOM 1356 N PHE A 86 8.261 -0.769 -6.950 1.00 30.05 N ATOM 1357 CA PHE A 86 7.800 -2.156 -7.030 1.00 73.40 C ATOM 1358 C PHE A 86 8.564 -2.929 -8.124 1.00 13.11 C ATOM 1359 O PHE A 86 8.590 -2.506 -9.284 1.00 42.30 O ATOM 1360 CB PHE A 86 6.288 -2.187 -7.321 1.00 22.22 C ATOM 1361 CG PHE A 86 5.608 -3.437 -6.825 1.00 24.24 C ATOM 1362 CD1 PHE A 86 5.230 -3.536 -5.494 1.00 23.00 C ATOM 1363 CD2 PHE A 86 5.350 -4.505 -7.674 1.00 0.54 C ATOM 1364 CE1 PHE A 86 4.610 -4.676 -5.019 1.00 51.11 C ATOM 1365 CE2 PHE A 86 4.729 -5.646 -7.203 1.00 60.23 C ATOM 1366 CZ PHE A 86 4.358 -5.734 -5.874 1.00 14.12 C ATOM 0 H PHE A 86 7.570 -0.082 -7.254 1.00 30.05 H new ATOM 0 HA PHE A 86 7.994 -2.640 -6.073 1.00 73.40 H new ATOM 0 HB2 PHE A 86 5.819 -1.319 -6.858 1.00 22.22 H new ATOM 0 HB3 PHE A 86 6.131 -2.099 -8.396 1.00 22.22 H new ATOM 0 HD1 PHE A 86 5.422 -2.713 -4.822 1.00 23.00 H new ATOM 0 HD2 PHE A 86 5.638 -4.443 -8.713 1.00 0.54 H new ATOM 0 HE1 PHE A 86 4.322 -4.741 -3.980 1.00 51.11 H new ATOM 0 HE2 PHE A 86 4.533 -6.470 -7.874 1.00 60.23 H new ATOM 0 HZ PHE A 86 3.873 -6.626 -5.505 1.00 14.12 H new ATOM 1376 N PRO A 87 9.191 -4.071 -7.774 1.00 0.03 N ATOM 1377 CA PRO A 87 9.992 -4.866 -8.728 1.00 5.44 C ATOM 1378 C PRO A 87 9.138 -5.588 -9.794 1.00 21.21 C ATOM 1379 O PRO A 87 7.935 -5.783 -9.620 1.00 61.02 O ATOM 1380 CB PRO A 87 10.707 -5.881 -7.820 1.00 1.54 C ATOM 1381 CG PRO A 87 9.803 -6.033 -6.644 1.00 34.35 C ATOM 1382 CD PRO A 87 9.179 -4.677 -6.425 1.00 12.34 C ATOM 0 HA PRO A 87 10.665 -4.237 -9.311 1.00 5.44 H new ATOM 0 HB2 PRO A 87 10.858 -6.832 -8.330 1.00 1.54 H new ATOM 0 HB3 PRO A 87 11.691 -5.521 -7.520 1.00 1.54 H new ATOM 0 HG2 PRO A 87 9.040 -6.788 -6.833 1.00 34.35 H new ATOM 0 HG3 PRO A 87 10.359 -6.354 -5.763 1.00 34.35 H new ATOM 0 HD2 PRO A 87 8.166 -4.760 -6.031 1.00 12.34 H new ATOM 0 HD3 PRO A 87 9.751 -4.082 -5.712 1.00 12.34 H new ATOM 1390 N ASP A 88 9.780 -5.987 -10.895 1.00 33.42 N ATOM 1391 CA ASP A 88 9.097 -6.655 -12.011 1.00 24.52 C ATOM 1392 C ASP A 88 8.412 -7.970 -11.584 1.00 53.42 C ATOM 1393 O ASP A 88 9.068 -8.905 -11.116 1.00 13.21 O ATOM 1394 CB ASP A 88 10.104 -6.941 -13.132 1.00 63.31 C ATOM 1395 CG ASP A 88 10.706 -5.674 -13.715 1.00 0.42 C ATOM 1396 OD1 ASP A 88 11.550 -5.047 -13.043 1.00 60.12 O ATOM 1397 OD2 ASP A 88 10.346 -5.306 -14.856 1.00 5.31 O ATOM 0 H ASP A 88 10.781 -5.858 -11.040 1.00 33.42 H new ATOM 0 HA ASP A 88 8.316 -5.982 -12.363 1.00 24.52 H new ATOM 0 HB2 ASP A 88 10.903 -7.573 -12.745 1.00 63.31 H new ATOM 0 HB3 ASP A 88 9.609 -7.502 -13.925 1.00 63.31 H new ATOM 1402 N LYS A 89 7.085 -8.024 -11.734 1.00 73.15 N ATOM 1403 CA LYS A 89 6.311 -9.255 -11.520 1.00 32.22 C ATOM 1404 C LYS A 89 5.377 -9.523 -12.712 1.00 34.02 C ATOM 1405 O LYS A 89 4.242 -9.052 -12.742 1.00 21.43 O ATOM 1406 CB LYS A 89 5.493 -9.173 -10.215 1.00 1.14 C ATOM 1407 CG LYS A 89 6.332 -9.246 -8.939 1.00 31.14 C ATOM 1408 CD LYS A 89 7.046 -10.594 -8.801 1.00 2.14 C ATOM 1409 CE LYS A 89 6.063 -11.759 -8.694 1.00 45.24 C ATOM 1410 NZ LYS A 89 6.763 -13.071 -8.640 1.00 45.12 N ATOM 0 H LYS A 89 6.518 -7.221 -12.006 1.00 73.15 H new ATOM 0 HA LYS A 89 7.016 -10.082 -11.434 1.00 32.22 H new ATOM 0 HB2 LYS A 89 4.929 -8.240 -10.212 1.00 1.14 H new ATOM 0 HB3 LYS A 89 4.766 -9.985 -10.204 1.00 1.14 H new ATOM 0 HG2 LYS A 89 7.069 -8.443 -8.943 1.00 31.14 H new ATOM 0 HG3 LYS A 89 5.690 -9.085 -8.073 1.00 31.14 H new ATOM 0 HD2 LYS A 89 7.697 -10.748 -9.661 1.00 2.14 H new ATOM 0 HD3 LYS A 89 7.684 -10.577 -7.917 1.00 2.14 H new ATOM 0 HE2 LYS A 89 5.451 -11.637 -7.800 1.00 45.24 H new ATOM 0 HE3 LYS A 89 5.386 -11.743 -9.548 1.00 45.24 H new ATOM 0 HZ1 LYS A 89 6.062 -13.836 -8.568 1.00 45.12 H new ATOM 0 HZ2 LYS A 89 7.327 -13.199 -9.504 1.00 45.12 H new ATOM 0 HZ3 LYS A 89 7.390 -13.096 -7.810 1.00 45.12 H new ATOM 1424 N LEU A 90 5.868 -10.265 -13.705 1.00 62.25 N ATOM 1425 CA LEU A 90 5.093 -10.536 -14.926 1.00 73.54 C ATOM 1426 C LEU A 90 4.490 -11.951 -14.915 1.00 14.33 C ATOM 1427 O LEU A 90 5.197 -12.945 -15.100 1.00 61.21 O ATOM 1428 CB LEU A 90 5.968 -10.352 -16.181 1.00 12.21 C ATOM 1429 CG LEU A 90 6.409 -8.906 -16.500 1.00 44.43 C ATOM 1430 CD1 LEU A 90 7.404 -8.387 -15.465 1.00 21.22 C ATOM 1431 CD2 LEU A 90 7.001 -8.830 -17.905 1.00 44.11 C ATOM 0 H LEU A 90 6.795 -10.690 -13.693 1.00 62.25 H new ATOM 0 HA LEU A 90 4.274 -9.817 -14.952 1.00 73.54 H new ATOM 0 HB2 LEU A 90 6.862 -10.966 -16.068 1.00 12.21 H new ATOM 0 HB3 LEU A 90 5.421 -10.741 -17.040 1.00 12.21 H new ATOM 0 HG LEU A 90 5.527 -8.267 -16.458 1.00 44.43 H new ATOM 0 HD11 LEU A 90 7.694 -7.367 -15.719 1.00 21.22 H new ATOM 0 HD12 LEU A 90 6.941 -8.398 -14.478 1.00 21.22 H new ATOM 0 HD13 LEU A 90 8.288 -9.025 -15.458 1.00 21.22 H new ATOM 0 HD21 LEU A 90 7.307 -7.805 -18.116 1.00 44.11 H new ATOM 0 HD22 LEU A 90 7.867 -9.488 -17.971 1.00 44.11 H new ATOM 0 HD23 LEU A 90 6.252 -9.142 -18.633 1.00 44.11 H new ATOM 1443 N GLU A 91 3.181 -12.038 -14.686 1.00 73.53 N ATOM 1444 CA GLU A 91 2.467 -13.321 -14.739 1.00 4.13 C ATOM 1445 C GLU A 91 1.777 -13.469 -16.110 1.00 13.12 C ATOM 1446 O GLU A 91 1.242 -12.501 -16.652 1.00 24.43 O ATOM 1447 CB GLU A 91 1.450 -13.404 -13.582 1.00 64.04 C ATOM 1448 CG GLU A 91 1.335 -14.791 -12.940 1.00 1.11 C ATOM 1449 CD GLU A 91 0.663 -15.825 -13.831 1.00 15.34 C ATOM 1450 OE1 GLU A 91 -0.575 -15.952 -13.761 1.00 24.42 O ATOM 1451 OE2 GLU A 91 1.367 -16.513 -14.602 1.00 61.11 O ATOM 0 H GLU A 91 2.590 -11.238 -14.462 1.00 73.53 H new ATOM 0 HA GLU A 91 3.173 -14.143 -14.622 1.00 4.13 H new ATOM 0 HB2 GLU A 91 1.732 -12.684 -12.814 1.00 64.04 H new ATOM 0 HB3 GLU A 91 0.470 -13.106 -13.954 1.00 64.04 H new ATOM 0 HG2 GLU A 91 2.332 -15.144 -12.678 1.00 1.11 H new ATOM 0 HG3 GLU A 91 0.773 -14.705 -12.010 1.00 1.11 H new ATOM 1458 N HIS A 92 1.793 -14.676 -16.670 1.00 21.32 N ATOM 1459 CA HIS A 92 1.368 -14.892 -18.058 1.00 3.25 C ATOM 1460 C HIS A 92 0.496 -16.159 -18.207 1.00 44.13 C ATOM 1461 O HIS A 92 0.526 -16.822 -19.245 1.00 33.43 O ATOM 1462 CB HIS A 92 2.630 -14.989 -18.937 1.00 40.31 C ATOM 1463 CG HIS A 92 2.375 -14.991 -20.418 1.00 33.11 C ATOM 1464 ND1 HIS A 92 2.109 -13.845 -21.139 1.00 54.12 N ATOM 1465 CD2 HIS A 92 2.361 -16.005 -21.318 1.00 3.13 C ATOM 1466 CE1 HIS A 92 1.939 -14.155 -22.409 1.00 2.22 C ATOM 1467 NE2 HIS A 92 2.088 -15.454 -22.545 1.00 43.33 N ATOM 0 H HIS A 92 2.095 -15.522 -16.187 1.00 21.32 H new ATOM 0 HA HIS A 92 0.748 -14.054 -18.376 1.00 3.25 H new ATOM 0 HB2 HIS A 92 3.286 -14.152 -18.698 1.00 40.31 H new ATOM 0 HB3 HIS A 92 3.168 -15.900 -18.675 1.00 40.31 H new ATOM 0 HD2 HIS A 92 2.533 -17.051 -21.109 1.00 3.13 H new ATOM 0 HE1 HIS A 92 1.715 -13.459 -23.204 1.00 2.22 H new ATOM 0 HE2 HIS A 92 2.013 -15.970 -23.422 1.00 43.33 H new ATOM 1476 N HIS A 93 -0.295 -16.485 -17.181 1.00 10.14 N ATOM 1477 CA HIS A 93 -1.176 -17.663 -17.233 1.00 42.51 C ATOM 1478 C HIS A 93 -2.042 -17.677 -18.509 1.00 63.00 C ATOM 1479 O HIS A 93 -2.773 -16.726 -18.795 1.00 41.11 O ATOM 1480 CB HIS A 93 -2.073 -17.741 -15.983 1.00 40.54 C ATOM 1481 CG HIS A 93 -3.093 -16.642 -15.862 1.00 52.11 C ATOM 1482 ND1 HIS A 93 -2.857 -15.465 -15.185 1.00 75.05 N ATOM 1483 CD2 HIS A 93 -4.368 -16.553 -16.319 1.00 71.30 C ATOM 1484 CE1 HIS A 93 -3.932 -14.706 -15.229 1.00 42.41 C ATOM 1485 NE2 HIS A 93 -4.861 -15.341 -15.910 1.00 53.51 N ATOM 0 H HIS A 93 -0.346 -15.957 -16.310 1.00 10.14 H new ATOM 0 HA HIS A 93 -0.530 -18.541 -17.256 1.00 42.51 H new ATOM 0 HB2 HIS A 93 -2.592 -18.699 -15.986 1.00 40.54 H new ATOM 0 HB3 HIS A 93 -1.438 -17.726 -15.097 1.00 40.54 H new ATOM 0 HD2 HIS A 93 -4.895 -17.298 -16.897 1.00 71.30 H new ATOM 0 HE1 HIS A 93 -4.034 -13.728 -14.782 1.00 42.41 H new ATOM 0 HE2 HIS A 93 -5.798 -14.988 -16.103 1.00 53.51 H new ATOM 1494 N HIS A 94 -1.928 -18.751 -19.287 1.00 11.33 N ATOM 1495 CA HIS A 94 -2.719 -18.910 -20.513 1.00 55.55 C ATOM 1496 C HIS A 94 -4.229 -18.943 -20.216 1.00 54.11 C ATOM 1497 O HIS A 94 -4.743 -19.906 -19.642 1.00 61.53 O ATOM 1498 CB HIS A 94 -2.294 -20.177 -21.273 1.00 21.52 C ATOM 1499 CG HIS A 94 -2.302 -21.433 -20.447 1.00 70.22 C ATOM 1500 ND1 HIS A 94 -3.334 -22.347 -20.470 1.00 13.32 N ATOM 1501 CD2 HIS A 94 -1.390 -21.931 -19.578 1.00 3.53 C ATOM 1502 CE1 HIS A 94 -3.058 -23.344 -19.657 1.00 31.42 C ATOM 1503 NE2 HIS A 94 -1.886 -23.119 -19.105 1.00 41.42 N ATOM 0 H HIS A 94 -1.295 -19.527 -19.093 1.00 11.33 H new ATOM 0 HA HIS A 94 -2.524 -18.041 -21.142 1.00 55.55 H new ATOM 0 HB2 HIS A 94 -2.959 -20.314 -22.126 1.00 21.52 H new ATOM 0 HB3 HIS A 94 -1.291 -20.026 -21.672 1.00 21.52 H new ATOM 0 HD2 HIS A 94 -0.448 -21.477 -19.308 1.00 3.53 H new ATOM 0 HE1 HIS A 94 -3.688 -24.202 -19.474 1.00 31.42 H new ATOM 0 HE2 HIS A 94 -1.421 -23.730 -18.433 1.00 41.42 H new ATOM 1512 N HIS A 95 -4.929 -17.876 -20.605 1.00 52.22 N ATOM 1513 CA HIS A 95 -6.381 -17.784 -20.402 1.00 32.11 C ATOM 1514 C HIS A 95 -7.128 -18.938 -21.092 1.00 72.24 C ATOM 1515 O HIS A 95 -6.680 -19.457 -22.117 1.00 43.34 O ATOM 1516 CB HIS A 95 -6.914 -16.428 -20.907 1.00 63.01 C ATOM 1517 CG HIS A 95 -6.640 -16.152 -22.364 1.00 14.42 C ATOM 1518 ND1 HIS A 95 -5.839 -15.116 -22.799 1.00 22.13 N ATOM 1519 CD2 HIS A 95 -7.077 -16.775 -23.489 1.00 74.14 C ATOM 1520 CE1 HIS A 95 -5.796 -15.114 -24.117 1.00 14.42 C ATOM 1521 NE2 HIS A 95 -6.536 -16.106 -24.558 1.00 21.44 N ATOM 0 H HIS A 95 -4.517 -17.063 -21.062 1.00 52.22 H new ATOM 0 HA HIS A 95 -6.565 -17.862 -19.330 1.00 32.11 H new ATOM 0 HB2 HIS A 95 -7.990 -16.390 -20.739 1.00 63.01 H new ATOM 0 HB3 HIS A 95 -6.470 -15.632 -20.310 1.00 63.01 H new ATOM 0 HD1 HIS A 95 -5.354 -14.453 -22.194 1.00 22.13 H new ATOM 0 HD2 HIS A 95 -7.728 -17.635 -23.534 1.00 74.14 H new ATOM 0 HE1 HIS A 95 -5.246 -14.415 -24.730 1.00 14.42 H new ATOM 1530 N HIS A 96 -8.271 -19.324 -20.530 1.00 31.33 N ATOM 1531 CA HIS A 96 -9.086 -20.408 -21.092 1.00 22.13 C ATOM 1532 C HIS A 96 -9.580 -20.088 -22.519 1.00 55.12 C ATOM 1533 O HIS A 96 -9.594 -18.929 -22.948 1.00 23.23 O ATOM 1534 CB HIS A 96 -10.280 -20.700 -20.172 1.00 40.22 C ATOM 1535 CG HIS A 96 -9.879 -21.191 -18.813 1.00 32.31 C ATOM 1536 ND1 HIS A 96 -10.005 -20.436 -17.671 1.00 23.20 N ATOM 1537 CD2 HIS A 96 -9.348 -22.373 -18.422 1.00 45.02 C ATOM 1538 CE1 HIS A 96 -9.570 -21.125 -16.637 1.00 21.34 C ATOM 1539 NE2 HIS A 96 -9.166 -22.304 -17.063 1.00 31.11 N ATOM 0 H HIS A 96 -8.658 -18.904 -19.685 1.00 31.33 H new ATOM 0 HA HIS A 96 -8.451 -21.292 -21.159 1.00 22.13 H new ATOM 0 HB2 HIS A 96 -10.874 -19.793 -20.062 1.00 40.22 H new ATOM 0 HB3 HIS A 96 -10.920 -21.445 -20.645 1.00 40.22 H new ATOM 0 HD2 HIS A 96 -9.112 -23.212 -19.059 1.00 45.02 H new ATOM 0 HE1 HIS A 96 -9.548 -20.782 -15.613 1.00 21.34 H new ATOM 0 HE2 HIS A 96 -8.780 -23.045 -16.478 1.00 31.11 H new ATOM 1548 N HIS A 97 -9.972 -21.133 -23.249 1.00 12.43 N ATOM 1549 CA HIS A 97 -10.459 -20.991 -24.636 1.00 32.42 C ATOM 1550 C HIS A 97 -11.894 -21.533 -24.787 1.00 5.11 C ATOM 1551 O HIS A 97 -12.052 -22.760 -24.971 1.00 36.70 O ATOM 1552 CB HIS A 97 -9.521 -21.725 -25.608 1.00 24.11 C ATOM 1553 CG HIS A 97 -8.154 -21.121 -25.726 1.00 21.31 C ATOM 1554 ND1 HIS A 97 -7.748 -20.401 -26.826 1.00 64.41 N ATOM 1555 CD2 HIS A 97 -7.089 -21.154 -24.892 1.00 51.42 C ATOM 1556 CE1 HIS A 97 -6.499 -20.017 -26.667 1.00 24.41 C ATOM 1557 NE2 HIS A 97 -6.073 -20.460 -25.503 1.00 1.23 N ATOM 1558 OXT HIS A 97 -12.852 -20.731 -24.728 1.00 36.70 O ATOM 0 H HIS A 97 -9.964 -22.094 -22.907 1.00 12.43 H new ATOM 0 HA HIS A 97 -10.469 -19.928 -24.876 1.00 32.42 H new ATOM 0 HB2 HIS A 97 -9.420 -22.761 -25.284 1.00 24.11 H new ATOM 0 HB3 HIS A 97 -9.983 -21.743 -26.595 1.00 24.11 H new ATOM 0 HD2 HIS A 97 -7.046 -21.636 -23.926 1.00 51.42 H new ATOM 0 HE1 HIS A 97 -5.922 -19.437 -27.372 1.00 24.41 H new ATOM 0 HE2 HIS A 97 -5.140 -20.312 -25.117 1.00 1.23 H new TER 1567 HIS A 97