USER MOD reduce.3.24.130724 H: found=0, std=0, add=968, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 961 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 57 LYS NZ :NH3+ -118:sc= 1.57 (180deg=1.87) USER MOD Set 1.2: A 110 HIS : no HE2:sc= 1.52 K(o=3.1,f=-10!) USER MOD Set 2.1: A 12 HIS : no HE2:sc= -0.105 K(o=0.059,f=-1) USER MOD Set 2.2: A 79 THR OG1 : rot 170:sc= 0.165 USER MOD Set 3.1: A 63 ASN : amide:sc= 0.828 K(o=1.8,f=-3) USER MOD Set 3.2: A 66 LYS NZ :NH3+ -144:sc= 0.969 (180deg=0) USER MOD Set 4.1: A 31 HIS : no HE2:sc= 1.01 K(o=0.059,f=-7.9!) USER MOD Set 4.2: A 34 GLN : amide:sc= -0.954! C(o=0.059!,f=-4.5!) USER MOD Set 5.1: A 24 HIS : no HE2:sc= 0.872 K(o=1,f=-3.6!) USER MOD Set 5.2: A 28 GLN : amide:sc= 0.13 K(o=1,f=-0.57) USER MOD Single : A 1 GLY N :NH3+ -118:sc= 0.182 (180deg=0) USER MOD Single : A 2 SER OG : rot -145:sc= 0.126 USER MOD Single : A 6 ASN : amide:sc= 0 K(o=0,f=-2.1!) USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot -87:sc= 1.17 USER MOD Single : A 10 LYS NZ :NH3+ 174:sc= 0.798 (180deg=0.758) USER MOD Single : A 13 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ -168:sc= 0.848 (180deg=0.563) USER MOD Single : A 15 LYS NZ :NH3+ -126:sc= 0.921 (180deg=0.176) USER MOD Single : A 16 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 SER OG : rot -20:sc= 1.21 USER MOD Single : A 38 HIS : no HD1:sc= -0.0293 X(o=-0.029,f=-0.42) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 GLN : amide:sc= 0.0448 X(o=0.045,f=0) USER MOD Single : A 44 HIS :FLIP no HD1:sc= -0.179 F(o=-1.1,f=-0.18) USER MOD Single : A 46 THR OG1 : rot 180:sc= -0.0318 USER MOD Single : A 51 LYS NZ :NH3+ 140:sc= 2.15 (180deg=0.439) USER MOD Single : A 53 HIS : no HE2:sc= -0.716 K(o=-0.72,f=-1.8!) USER MOD Single : A 56 LYS NZ :NH3+ -156:sc= 0.999 (180deg=0.737) USER MOD Single : A 67 GLN : amide:sc= 0 X(o=0,f=-0.00039) USER MOD Single : A 70 GLN : amide:sc= -0.286 X(o=-0.29,f=-0.31) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 ASN : amide:sc= 0.28 K(o=0.28,f=-0.94) USER MOD Single : A 84 SER OG : rot 180:sc= -0.502 USER MOD Single : A 86 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 87 LYS NZ :NH3+ -174:sc= 1.12 (180deg=1.09) USER MOD Single : A 88 TYR OH : rot 134:sc= 0.296 USER MOD Single : A 95 GLN : amide:sc= 1.1 K(o=1.1,f=-3.6!) USER MOD Single : A 102 LYS NZ :NH3+ -153:sc= 1.3 (180deg=1.15) USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 SER OG : rot -16:sc= 1.19 USER MOD Single : A 111 SER OG : rot -76:sc= 1.03 USER MOD Single : A 112 SER OG : rot 41:sc= 1.05 USER MOD Single : A 114 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 15.641 28.315 2.335 1.00 0.00 N ATOM 2 CA GLY A 1 15.098 29.024 1.148 1.00 0.00 C ATOM 3 C GLY A 1 13.669 28.637 0.891 1.00 0.00 C ATOM 4 O GLY A 1 13.144 27.862 1.662 1.00 0.00 O ATOM 0 H1 GLY A 1 15.905 29.009 3.063 1.00 0.00 H new ATOM 0 H2 GLY A 1 14.918 27.672 2.716 1.00 0.00 H new ATOM 0 H3 GLY A 1 16.481 27.767 2.058 1.00 0.00 H new ATOM 0 HA2 GLY A 1 15.164 30.101 1.303 1.00 0.00 H new ATOM 0 HA3 GLY A 1 15.704 28.790 0.273 1.00 0.00 H new ATOM 10 N SER A 2 13.061 29.160 -0.173 1.00 0.00 N ATOM 11 CA SER A 2 11.655 28.873 -0.529 1.00 0.00 C ATOM 12 C SER A 2 10.656 29.135 0.616 1.00 0.00 C ATOM 13 O SER A 2 10.240 28.211 1.321 1.00 0.00 O ATOM 14 CB SER A 2 11.495 27.435 -1.023 1.00 0.00 C ATOM 15 OG SER A 2 10.189 27.244 -1.542 1.00 0.00 O ATOM 0 H SER A 2 13.524 29.798 -0.820 1.00 0.00 H new ATOM 0 HA SER A 2 11.414 29.572 -1.330 1.00 0.00 H new ATOM 0 HB2 SER A 2 12.236 27.221 -1.793 1.00 0.00 H new ATOM 0 HB3 SER A 2 11.676 26.738 -0.205 1.00 0.00 H new ATOM 0 HG SER A 2 9.890 26.331 -1.348 1.00 0.00 H new ATOM 21 N PRO A 3 10.245 30.407 0.806 1.00 0.00 N ATOM 22 CA PRO A 3 9.279 30.726 1.870 1.00 0.00 C ATOM 23 C PRO A 3 7.917 30.040 1.744 1.00 0.00 C ATOM 24 O PRO A 3 7.109 30.101 2.664 1.00 0.00 O ATOM 25 CB PRO A 3 9.099 32.244 1.730 1.00 0.00 C ATOM 26 CG PRO A 3 10.323 32.710 1.048 1.00 0.00 C ATOM 27 CD PRO A 3 10.635 31.625 0.070 1.00 0.00 C ATOM 0 HA PRO A 3 9.656 30.378 2.832 1.00 0.00 H new ATOM 0 HB2 PRO A 3 8.208 32.484 1.150 1.00 0.00 H new ATOM 0 HB3 PRO A 3 8.984 32.720 2.704 1.00 0.00 H new ATOM 0 HG2 PRO A 3 10.160 33.664 0.546 1.00 0.00 H new ATOM 0 HG3 PRO A 3 11.141 32.857 1.754 1.00 0.00 H new ATOM 0 HD2 PRO A 3 10.070 31.738 -0.855 1.00 0.00 H new ATOM 0 HD3 PRO A 3 11.691 31.615 -0.201 1.00 0.00 H new ATOM 35 N GLU A 4 7.659 29.378 0.623 1.00 0.00 N ATOM 36 CA GLU A 4 6.403 28.658 0.421 1.00 0.00 C ATOM 37 C GLU A 4 6.222 27.601 1.509 1.00 0.00 C ATOM 38 O GLU A 4 5.129 27.429 2.054 1.00 0.00 O ATOM 39 CB GLU A 4 6.412 27.970 -0.949 1.00 0.00 C ATOM 40 CG GLU A 4 5.105 27.278 -1.266 1.00 0.00 C ATOM 41 CD GLU A 4 5.189 26.363 -2.467 1.00 0.00 C ATOM 42 OE1 GLU A 4 5.384 26.859 -3.593 1.00 0.00 O ATOM 43 OE2 GLU A 4 5.046 25.134 -2.280 1.00 0.00 O ATOM 0 H GLU A 4 8.305 29.323 -0.165 1.00 0.00 H new ATOM 0 HA GLU A 4 5.581 29.372 0.469 1.00 0.00 H new ATOM 0 HB2 GLU A 4 6.622 28.710 -1.721 1.00 0.00 H new ATOM 0 HB3 GLU A 4 7.221 27.240 -0.979 1.00 0.00 H new ATOM 0 HG2 GLU A 4 4.788 26.699 -0.398 1.00 0.00 H new ATOM 0 HG3 GLU A 4 4.337 28.031 -1.444 1.00 0.00 H new ATOM 50 N PHE A 5 7.299 26.901 1.836 1.00 0.00 N ATOM 51 CA PHE A 5 7.236 25.839 2.833 1.00 0.00 C ATOM 52 C PHE A 5 6.895 26.394 4.205 1.00 0.00 C ATOM 53 O PHE A 5 6.277 25.719 5.012 1.00 0.00 O ATOM 54 CB PHE A 5 8.565 25.084 2.893 1.00 0.00 C ATOM 55 CG PHE A 5 8.942 24.425 1.593 1.00 0.00 C ATOM 56 CD1 PHE A 5 8.082 23.484 0.992 1.00 0.00 C ATOM 57 CD2 PHE A 5 10.163 24.730 0.966 1.00 0.00 C ATOM 58 CE1 PHE A 5 8.431 22.859 -0.230 1.00 0.00 C ATOM 59 CE2 PHE A 5 10.529 24.101 -0.254 1.00 0.00 C ATOM 60 CZ PHE A 5 9.657 23.169 -0.853 1.00 0.00 C ATOM 0 H PHE A 5 8.223 27.047 1.429 1.00 0.00 H new ATOM 0 HA PHE A 5 6.446 25.149 2.536 1.00 0.00 H new ATOM 0 HB2 PHE A 5 9.355 25.778 3.182 1.00 0.00 H new ATOM 0 HB3 PHE A 5 8.507 24.324 3.673 1.00 0.00 H new ATOM 0 HD1 PHE A 5 7.145 23.236 1.469 1.00 0.00 H new ATOM 0 HD2 PHE A 5 10.830 25.450 1.417 1.00 0.00 H new ATOM 0 HE1 PHE A 5 7.759 22.146 -0.684 1.00 0.00 H new ATOM 0 HE2 PHE A 5 11.474 24.336 -0.722 1.00 0.00 H new ATOM 0 HZ PHE A 5 9.927 22.695 -1.785 1.00 0.00 H new ATOM 70 N ASN A 6 7.280 27.633 4.469 1.00 0.00 N ATOM 71 CA ASN A 6 6.951 28.261 5.745 1.00 0.00 C ATOM 72 C ASN A 6 5.501 28.736 5.710 1.00 0.00 C ATOM 73 O ASN A 6 4.757 28.562 6.672 1.00 0.00 O ATOM 74 CB ASN A 6 7.878 29.452 6.014 1.00 0.00 C ATOM 75 CG ASN A 6 9.327 29.055 6.070 1.00 0.00 C ATOM 76 OD1 ASN A 6 10.100 29.388 5.188 1.00 0.00 O ATOM 77 ND2 ASN A 6 9.702 28.336 7.093 1.00 0.00 N ATOM 0 H ASN A 6 7.814 28.220 3.828 1.00 0.00 H new ATOM 0 HA ASN A 6 7.084 27.532 6.544 1.00 0.00 H new ATOM 0 HB2 ASN A 6 7.740 30.199 5.233 1.00 0.00 H new ATOM 0 HB3 ASN A 6 7.597 29.921 6.957 1.00 0.00 H new ATOM 0 HD21 ASN A 6 10.672 28.032 7.175 1.00 0.00 H new ATOM 0 HD22 ASN A 6 9.025 28.078 7.811 1.00 0.00 H new ATOM 84 N ARG A 7 5.104 29.326 4.589 1.00 0.00 N ATOM 85 CA ARG A 7 3.748 29.859 4.409 1.00 0.00 C ATOM 86 C ARG A 7 2.695 28.777 4.578 1.00 0.00 C ATOM 87 O ARG A 7 1.668 28.991 5.217 1.00 0.00 O ATOM 88 CB ARG A 7 3.622 30.469 3.004 1.00 0.00 C ATOM 89 CG ARG A 7 2.286 31.157 2.733 1.00 0.00 C ATOM 90 CD ARG A 7 2.160 31.525 1.264 1.00 0.00 C ATOM 91 NE ARG A 7 0.878 32.195 0.986 1.00 0.00 N ATOM 92 CZ ARG A 7 0.411 32.487 -0.224 1.00 0.00 C ATOM 93 NH1 ARG A 7 1.064 32.186 -1.319 1.00 0.00 N ATOM 94 NH2 ARG A 7 -0.738 33.094 -0.332 1.00 0.00 N ATOM 0 H ARG A 7 5.708 29.451 3.777 1.00 0.00 H new ATOM 0 HA ARG A 7 3.581 30.620 5.172 1.00 0.00 H new ATOM 0 HB2 ARG A 7 4.425 31.192 2.862 1.00 0.00 H new ATOM 0 HB3 ARG A 7 3.768 29.681 2.265 1.00 0.00 H new ATOM 0 HG2 ARG A 7 1.467 30.497 3.019 1.00 0.00 H new ATOM 0 HG3 ARG A 7 2.202 32.054 3.346 1.00 0.00 H new ATOM 0 HD2 ARG A 7 2.984 32.180 0.979 1.00 0.00 H new ATOM 0 HD3 ARG A 7 2.242 30.626 0.654 1.00 0.00 H new ATOM 0 HE ARG A 7 0.302 32.456 1.786 1.00 0.00 H new ATOM 0 HH11 ARG A 7 1.965 31.711 -1.261 1.00 0.00 H new ATOM 0 HH12 ARG A 7 0.672 32.427 -2.229 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -1.266 33.339 0.506 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -1.108 33.324 -1.254 1.00 0.00 H new ATOM 108 N TYR A 8 2.951 27.620 3.995 1.00 0.00 N ATOM 109 CA TYR A 8 1.999 26.520 4.044 1.00 0.00 C ATOM 110 C TYR A 8 2.314 25.520 5.146 1.00 0.00 C ATOM 111 O TYR A 8 1.674 24.488 5.224 1.00 0.00 O ATOM 112 CB TYR A 8 1.997 25.778 2.700 1.00 0.00 C ATOM 113 CG TYR A 8 1.604 26.621 1.495 1.00 0.00 C ATOM 114 CD1 TYR A 8 2.122 26.319 0.221 1.00 0.00 C ATOM 115 CD2 TYR A 8 0.707 27.711 1.609 1.00 0.00 C ATOM 116 CE1 TYR A 8 1.767 27.092 -0.915 1.00 0.00 C ATOM 117 CE2 TYR A 8 0.354 28.484 0.471 1.00 0.00 C ATOM 118 CZ TYR A 8 0.893 28.169 -0.776 1.00 0.00 C ATOM 119 OH TYR A 8 0.562 28.921 -1.874 1.00 0.00 O ATOM 0 H TYR A 8 3.809 27.416 3.482 1.00 0.00 H new ATOM 0 HA TYR A 8 1.023 26.957 4.254 1.00 0.00 H new ATOM 0 HB2 TYR A 8 2.992 25.369 2.528 1.00 0.00 H new ATOM 0 HB3 TYR A 8 1.312 24.933 2.771 1.00 0.00 H new ATOM 0 HD1 TYR A 8 2.800 25.486 0.107 1.00 0.00 H new ATOM 0 HD2 TYR A 8 0.286 27.957 2.573 1.00 0.00 H new ATOM 0 HE1 TYR A 8 2.173 26.846 -1.885 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -0.330 29.314 0.571 1.00 0.00 H new ATOM 0 HH TYR A 8 -0.057 29.633 -1.609 1.00 0.00 H new ATOM 129 N SER A 9 3.299 25.811 5.987 1.00 0.00 N ATOM 130 CA SER A 9 3.806 24.826 6.962 1.00 0.00 C ATOM 131 C SER A 9 2.727 24.062 7.724 1.00 0.00 C ATOM 132 O SER A 9 2.812 22.851 7.855 1.00 0.00 O ATOM 133 CB SER A 9 4.725 25.517 7.967 1.00 0.00 C ATOM 134 OG SER A 9 4.083 26.649 8.536 1.00 0.00 O ATOM 0 H SER A 9 3.768 26.716 6.021 1.00 0.00 H new ATOM 0 HA SER A 9 4.342 24.086 6.368 1.00 0.00 H new ATOM 0 HB2 SER A 9 5.004 24.817 8.754 1.00 0.00 H new ATOM 0 HB3 SER A 9 5.647 25.825 7.473 1.00 0.00 H new ATOM 0 HG SER A 9 4.239 27.433 7.969 1.00 0.00 H new ATOM 140 N LYS A 10 1.714 24.772 8.197 1.00 0.00 N ATOM 141 CA LYS A 10 0.601 24.170 8.938 1.00 0.00 C ATOM 142 C LYS A 10 0.007 22.918 8.261 1.00 0.00 C ATOM 143 O LYS A 10 0.171 21.781 8.725 1.00 0.00 O ATOM 144 CB LYS A 10 -0.505 25.233 9.129 1.00 0.00 C ATOM 145 CG LYS A 10 -0.660 26.229 7.935 1.00 0.00 C ATOM 146 CD LYS A 10 -1.898 27.105 8.081 1.00 0.00 C ATOM 147 CE LYS A 10 -2.121 27.967 6.827 1.00 0.00 C ATOM 148 NZ LYS A 10 -2.596 27.157 5.646 1.00 0.00 N ATOM 0 H LYS A 10 1.635 25.782 8.081 1.00 0.00 H new ATOM 0 HA LYS A 10 1.000 23.836 9.896 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -1.456 24.725 9.287 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -0.293 25.801 10.034 1.00 0.00 H new ATOM 0 HG2 LYS A 10 0.226 26.861 7.872 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -0.719 25.670 7.001 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -2.772 26.477 8.254 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -1.790 27.749 8.954 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -2.853 28.743 7.049 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -1.191 28.472 6.567 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -2.828 27.795 4.858 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -1.845 26.501 5.350 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -3.443 26.616 5.914 1.00 0.00 H new ATOM 162 N GLU A 11 -0.695 23.132 7.166 1.00 0.00 N ATOM 163 CA GLU A 11 -1.404 22.062 6.500 1.00 0.00 C ATOM 164 C GLU A 11 -0.460 21.253 5.625 1.00 0.00 C ATOM 165 O GLU A 11 -0.733 20.103 5.347 1.00 0.00 O ATOM 166 CB GLU A 11 -2.552 22.643 5.679 1.00 0.00 C ATOM 167 CG GLU A 11 -3.603 23.370 6.512 1.00 0.00 C ATOM 168 CD GLU A 11 -4.332 22.432 7.455 1.00 0.00 C ATOM 169 OE1 GLU A 11 -5.032 21.524 6.967 1.00 0.00 O ATOM 170 OE2 GLU A 11 -4.204 22.588 8.691 1.00 0.00 O ATOM 0 H GLU A 11 -0.789 24.043 6.718 1.00 0.00 H new ATOM 0 HA GLU A 11 -1.816 21.386 7.250 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -2.144 23.335 4.942 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -3.035 21.837 5.126 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -3.124 24.162 7.088 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -4.323 23.849 5.849 1.00 0.00 H new ATOM 177 N HIS A 12 0.660 21.831 5.210 1.00 0.00 N ATOM 178 CA HIS A 12 1.645 21.081 4.429 1.00 0.00 C ATOM 179 C HIS A 12 2.202 19.965 5.296 1.00 0.00 C ATOM 180 O HIS A 12 2.247 18.823 4.862 1.00 0.00 O ATOM 181 CB HIS A 12 2.784 21.989 3.952 1.00 0.00 C ATOM 182 CG HIS A 12 3.748 21.330 3.011 1.00 0.00 C ATOM 183 ND1 HIS A 12 3.634 20.046 2.534 1.00 0.00 N ATOM 184 CD2 HIS A 12 4.879 21.819 2.433 1.00 0.00 C ATOM 185 CE1 HIS A 12 4.648 19.818 1.705 1.00 0.00 C ATOM 186 NE2 HIS A 12 5.443 20.867 1.609 1.00 0.00 N ATOM 0 H HIS A 12 0.910 22.802 5.396 1.00 0.00 H new ATOM 0 HA HIS A 12 1.158 20.669 3.545 1.00 0.00 H new ATOM 0 HB2 HIS A 12 2.355 22.862 3.461 1.00 0.00 H new ATOM 0 HB3 HIS A 12 3.333 22.350 4.822 1.00 0.00 H new ATOM 0 HD1 HIS A 12 2.898 19.382 2.775 1.00 0.00 H new ATOM 0 HD2 HIS A 12 5.278 22.809 2.596 1.00 0.00 H new ATOM 0 HE1 HIS A 12 4.802 18.889 1.176 1.00 0.00 H new ATOM 194 N MET A 13 2.611 20.277 6.519 1.00 0.00 N ATOM 195 CA MET A 13 3.151 19.242 7.401 1.00 0.00 C ATOM 196 C MET A 13 2.039 18.298 7.827 1.00 0.00 C ATOM 197 O MET A 13 2.256 17.096 7.938 1.00 0.00 O ATOM 198 CB MET A 13 3.830 19.846 8.632 1.00 0.00 C ATOM 199 CG MET A 13 5.091 20.642 8.299 1.00 0.00 C ATOM 200 SD MET A 13 6.354 19.614 7.525 1.00 0.00 S ATOM 201 CE MET A 13 7.592 20.836 7.101 1.00 0.00 C ATOM 0 H MET A 13 2.582 21.215 6.919 1.00 0.00 H new ATOM 0 HA MET A 13 3.908 18.688 6.846 1.00 0.00 H new ATOM 0 HB2 MET A 13 3.123 20.498 9.145 1.00 0.00 H new ATOM 0 HB3 MET A 13 4.087 19.045 9.326 1.00 0.00 H new ATOM 0 HG2 MET A 13 4.835 21.465 7.632 1.00 0.00 H new ATOM 0 HG3 MET A 13 5.492 21.084 9.211 1.00 0.00 H new ATOM 0 HE1 MET A 13 8.435 20.346 6.614 1.00 0.00 H new ATOM 0 HE2 MET A 13 7.159 21.572 6.424 1.00 0.00 H new ATOM 0 HE3 MET A 13 7.936 21.335 8.007 1.00 0.00 H new ATOM 211 N LYS A 14 0.836 18.818 8.048 1.00 0.00 N ATOM 212 CA LYS A 14 -0.278 17.937 8.417 1.00 0.00 C ATOM 213 C LYS A 14 -0.602 16.954 7.282 1.00 0.00 C ATOM 214 O LYS A 14 -0.904 15.790 7.526 1.00 0.00 O ATOM 215 CB LYS A 14 -1.508 18.761 8.796 1.00 0.00 C ATOM 216 CG LYS A 14 -2.520 17.978 9.634 1.00 0.00 C ATOM 217 CD LYS A 14 -3.640 18.882 10.139 1.00 0.00 C ATOM 218 CE LYS A 14 -4.660 19.168 9.049 1.00 0.00 C ATOM 219 NZ LYS A 14 -5.605 20.257 9.462 1.00 0.00 N ATOM 0 H LYS A 14 0.606 19.810 7.983 1.00 0.00 H new ATOM 0 HA LYS A 14 0.022 17.352 9.286 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -1.190 19.643 9.352 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -1.995 19.115 7.887 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -2.943 17.171 9.036 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -2.013 17.515 10.481 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -4.135 18.410 10.987 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -3.217 19.820 10.498 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -4.145 19.458 8.133 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -5.222 18.261 8.826 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -6.405 20.293 8.798 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -5.959 20.064 10.421 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -5.107 21.170 9.454 1.00 0.00 H new ATOM 233 N LYS A 15 -0.523 17.414 6.039 1.00 0.00 N ATOM 234 CA LYS A 15 -0.758 16.546 4.881 1.00 0.00 C ATOM 235 C LYS A 15 0.407 15.584 4.713 1.00 0.00 C ATOM 236 O LYS A 15 0.209 14.420 4.433 1.00 0.00 O ATOM 237 CB LYS A 15 -0.918 17.372 3.603 1.00 0.00 C ATOM 238 CG LYS A 15 -1.505 16.587 2.442 1.00 0.00 C ATOM 239 CD LYS A 15 -1.237 17.306 1.135 1.00 0.00 C ATOM 240 CE LYS A 15 -2.011 16.703 -0.027 1.00 0.00 C ATOM 241 NZ LYS A 15 -1.618 15.296 -0.382 1.00 0.00 N ATOM 0 H LYS A 15 -0.299 18.381 5.803 1.00 0.00 H new ATOM 0 HA LYS A 15 -1.678 15.988 5.055 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -1.558 18.229 3.812 1.00 0.00 H new ATOM 0 HB3 LYS A 15 0.055 17.765 3.310 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -1.070 15.588 2.412 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -2.579 16.463 2.584 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -1.505 18.357 1.240 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -0.170 17.269 0.915 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -3.074 16.719 0.215 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -1.875 17.336 -0.904 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -1.377 15.247 -1.392 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -0.793 15.012 0.185 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -2.412 14.654 -0.184 1.00 0.00 H new ATOM 255 N MET A 16 1.621 16.074 4.909 1.00 0.00 N ATOM 256 CA MET A 16 2.808 15.230 4.820 1.00 0.00 C ATOM 257 C MET A 16 2.678 14.098 5.829 1.00 0.00 C ATOM 258 O MET A 16 3.009 12.959 5.527 1.00 0.00 O ATOM 259 CB MET A 16 4.071 16.054 5.091 1.00 0.00 C ATOM 260 CG MET A 16 5.350 15.242 5.113 1.00 0.00 C ATOM 261 SD MET A 16 6.798 16.303 5.284 1.00 0.00 S ATOM 262 CE MET A 16 8.099 15.083 5.478 1.00 0.00 C ATOM 0 H MET A 16 1.813 17.051 5.131 1.00 0.00 H new ATOM 0 HA MET A 16 2.891 14.815 3.816 1.00 0.00 H new ATOM 0 HB2 MET A 16 4.158 16.827 4.327 1.00 0.00 H new ATOM 0 HB3 MET A 16 3.961 16.563 6.049 1.00 0.00 H new ATOM 0 HG2 MET A 16 5.318 14.531 5.939 1.00 0.00 H new ATOM 0 HG3 MET A 16 5.429 14.660 4.195 1.00 0.00 H new ATOM 0 HE1 MET A 16 9.058 15.589 5.595 1.00 0.00 H new ATOM 0 HE2 MET A 16 7.899 14.475 6.361 1.00 0.00 H new ATOM 0 HE3 MET A 16 8.132 14.443 4.597 1.00 0.00 H new ATOM 272 N MET A 17 2.174 14.401 7.019 1.00 0.00 N ATOM 273 CA MET A 17 1.943 13.357 8.009 1.00 0.00 C ATOM 274 C MET A 17 0.909 12.365 7.480 1.00 0.00 C ATOM 275 O MET A 17 1.140 11.176 7.533 1.00 0.00 O ATOM 276 CB MET A 17 1.489 13.938 9.350 1.00 0.00 C ATOM 277 CG MET A 17 1.399 12.880 10.441 1.00 0.00 C ATOM 278 SD MET A 17 0.892 13.552 12.031 1.00 0.00 S ATOM 279 CE MET A 17 0.986 12.048 13.048 1.00 0.00 C ATOM 0 H MET A 17 1.921 15.343 7.318 1.00 0.00 H new ATOM 0 HA MET A 17 2.887 12.840 8.182 1.00 0.00 H new ATOM 0 HB2 MET A 17 2.186 14.717 9.660 1.00 0.00 H new ATOM 0 HB3 MET A 17 0.515 14.412 9.226 1.00 0.00 H new ATOM 0 HG2 MET A 17 0.690 12.110 10.135 1.00 0.00 H new ATOM 0 HG3 MET A 17 2.369 12.395 10.550 1.00 0.00 H new ATOM 0 HE1 MET A 17 0.702 12.284 14.074 1.00 0.00 H new ATOM 0 HE2 MET A 17 0.307 11.295 12.647 1.00 0.00 H new ATOM 0 HE3 MET A 17 2.005 11.662 13.034 1.00 0.00 H new ATOM 289 N LYS A 18 -0.216 12.844 6.950 1.00 0.00 N ATOM 290 CA LYS A 18 -1.235 11.938 6.386 1.00 0.00 C ATOM 291 C LYS A 18 -0.641 11.047 5.311 1.00 0.00 C ATOM 292 O LYS A 18 -0.816 9.837 5.323 1.00 0.00 O ATOM 293 CB LYS A 18 -2.349 12.701 5.662 1.00 0.00 C ATOM 294 CG LYS A 18 -3.399 13.408 6.495 1.00 0.00 C ATOM 295 CD LYS A 18 -4.260 14.311 5.564 1.00 0.00 C ATOM 296 CE LYS A 18 -5.018 13.508 4.464 1.00 0.00 C ATOM 297 NZ LYS A 18 -5.623 14.394 3.399 1.00 0.00 N ATOM 0 H LYS A 18 -0.449 13.835 6.896 1.00 0.00 H new ATOM 0 HA LYS A 18 -1.614 11.377 7.240 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -1.878 13.446 5.020 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -2.863 11.996 5.009 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -4.031 12.679 7.002 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -2.923 14.010 7.269 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -4.983 14.860 6.167 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -3.616 15.050 5.087 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -4.330 12.804 3.996 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -5.807 12.919 4.931 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -6.114 13.806 2.696 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -6.302 15.049 3.837 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -4.870 14.938 2.931 1.00 0.00 H new ATOM 311 N ASP A 19 0.028 11.676 4.362 1.00 0.00 N ATOM 312 CA ASP A 19 0.526 10.984 3.181 1.00 0.00 C ATOM 313 C ASP A 19 1.595 9.956 3.537 1.00 0.00 C ATOM 314 O ASP A 19 1.635 8.870 2.967 1.00 0.00 O ATOM 315 CB ASP A 19 1.088 12.003 2.178 1.00 0.00 C ATOM 316 CG ASP A 19 0.032 13.013 1.697 1.00 0.00 C ATOM 317 OD1 ASP A 19 -1.193 12.760 1.810 1.00 0.00 O ATOM 318 OD2 ASP A 19 0.440 14.085 1.208 1.00 0.00 O ATOM 0 H ASP A 19 0.242 12.673 4.385 1.00 0.00 H new ATOM 0 HA ASP A 19 -0.310 10.449 2.730 1.00 0.00 H new ATOM 0 HB2 ASP A 19 1.915 12.542 2.640 1.00 0.00 H new ATOM 0 HB3 ASP A 19 1.495 11.472 1.317 1.00 0.00 H new ATOM 323 N LEU A 20 2.463 10.273 4.486 1.00 0.00 N ATOM 324 CA LEU A 20 3.518 9.334 4.857 1.00 0.00 C ATOM 325 C LEU A 20 3.067 8.302 5.881 1.00 0.00 C ATOM 326 O LEU A 20 3.610 7.202 5.916 1.00 0.00 O ATOM 327 CB LEU A 20 4.773 10.070 5.314 1.00 0.00 C ATOM 328 CG LEU A 20 5.419 10.938 4.212 1.00 0.00 C ATOM 329 CD1 LEU A 20 6.723 11.517 4.751 1.00 0.00 C ATOM 330 CD2 LEU A 20 5.700 10.139 2.912 1.00 0.00 C ATOM 0 H LEU A 20 2.462 11.151 5.005 1.00 0.00 H new ATOM 0 HA LEU A 20 3.764 8.772 3.956 1.00 0.00 H new ATOM 0 HB2 LEU A 20 4.522 10.705 6.164 1.00 0.00 H new ATOM 0 HB3 LEU A 20 5.503 9.341 5.665 1.00 0.00 H new ATOM 0 HG LEU A 20 4.717 11.730 3.952 1.00 0.00 H new ATOM 0 HD11 LEU A 20 7.192 12.133 3.984 1.00 0.00 H new ATOM 0 HD12 LEU A 20 6.514 12.128 5.629 1.00 0.00 H new ATOM 0 HD13 LEU A 20 7.396 10.705 5.025 1.00 0.00 H new ATOM 0 HD21 LEU A 20 6.154 10.797 2.171 1.00 0.00 H new ATOM 0 HD22 LEU A 20 6.380 9.316 3.131 1.00 0.00 H new ATOM 0 HD23 LEU A 20 4.764 9.742 2.519 1.00 0.00 H new ATOM 342 N GLU A 21 2.058 8.618 6.681 1.00 0.00 N ATOM 343 CA GLU A 21 1.454 7.612 7.560 1.00 0.00 C ATOM 344 C GLU A 21 0.798 6.611 6.611 1.00 0.00 C ATOM 345 O GLU A 21 0.798 5.407 6.836 1.00 0.00 O ATOM 346 CB GLU A 21 0.401 8.243 8.482 1.00 0.00 C ATOM 347 CG GLU A 21 -0.048 7.351 9.628 1.00 0.00 C ATOM 348 CD GLU A 21 0.931 7.383 10.796 1.00 0.00 C ATOM 349 OE1 GLU A 21 1.077 8.460 11.423 1.00 0.00 O ATOM 350 OE2 GLU A 21 1.544 6.337 11.093 1.00 0.00 O ATOM 0 H GLU A 21 1.642 9.547 6.744 1.00 0.00 H new ATOM 0 HA GLU A 21 2.194 7.147 8.212 1.00 0.00 H new ATOM 0 HB2 GLU A 21 0.805 9.168 8.894 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -0.470 8.514 7.886 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -1.032 7.670 9.971 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -0.152 6.327 9.270 1.00 0.00 H new ATOM 357 N GLY A 22 0.260 7.134 5.516 1.00 0.00 N ATOM 358 CA GLY A 22 -0.318 6.296 4.486 1.00 0.00 C ATOM 359 C GLY A 22 0.751 5.485 3.780 1.00 0.00 C ATOM 360 O GLY A 22 0.527 4.338 3.447 1.00 0.00 O ATOM 0 H GLY A 22 0.214 8.135 5.323 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -1.055 5.626 4.929 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -0.846 6.916 3.762 1.00 0.00 H new ATOM 364 N LEU A 23 1.926 6.056 3.555 1.00 0.00 N ATOM 365 CA LEU A 23 3.016 5.307 2.920 1.00 0.00 C ATOM 366 C LEU A 23 3.408 4.132 3.835 1.00 0.00 C ATOM 367 O LEU A 23 3.659 3.014 3.374 1.00 0.00 O ATOM 368 CB LEU A 23 4.210 6.225 2.643 1.00 0.00 C ATOM 369 CG LEU A 23 5.014 5.920 1.366 1.00 0.00 C ATOM 370 CD1 LEU A 23 6.047 7.015 1.163 1.00 0.00 C ATOM 371 CD2 LEU A 23 5.727 4.567 1.421 1.00 0.00 C ATOM 0 H LEU A 23 2.153 7.021 3.796 1.00 0.00 H new ATOM 0 HA LEU A 23 2.685 4.913 1.959 1.00 0.00 H new ATOM 0 HB2 LEU A 23 3.848 7.251 2.584 1.00 0.00 H new ATOM 0 HB3 LEU A 23 4.887 6.175 3.496 1.00 0.00 H new ATOM 0 HG LEU A 23 4.307 5.880 0.537 1.00 0.00 H new ATOM 0 HD11 LEU A 23 6.623 6.809 0.261 1.00 0.00 H new ATOM 0 HD12 LEU A 23 5.543 7.976 1.061 1.00 0.00 H new ATOM 0 HD13 LEU A 23 6.717 7.047 2.022 1.00 0.00 H new ATOM 0 HD21 LEU A 23 6.277 4.408 0.494 1.00 0.00 H new ATOM 0 HD22 LEU A 23 6.421 4.556 2.261 1.00 0.00 H new ATOM 0 HD23 LEU A 23 4.991 3.773 1.548 1.00 0.00 H new ATOM 383 N HIS A 24 3.431 4.372 5.136 1.00 0.00 N ATOM 384 CA HIS A 24 3.703 3.297 6.086 1.00 0.00 C ATOM 385 C HIS A 24 2.545 2.292 6.039 1.00 0.00 C ATOM 386 O HIS A 24 2.762 1.097 6.139 1.00 0.00 O ATOM 387 CB HIS A 24 3.902 3.852 7.497 1.00 0.00 C ATOM 388 CG HIS A 24 4.283 2.808 8.503 1.00 0.00 C ATOM 389 ND1 HIS A 24 5.223 1.821 8.298 1.00 0.00 N ATOM 390 CD2 HIS A 24 3.827 2.599 9.767 1.00 0.00 C ATOM 391 CE1 HIS A 24 5.289 1.076 9.393 1.00 0.00 C ATOM 392 NE2 HIS A 24 4.456 1.500 10.324 1.00 0.00 N ATOM 0 H HIS A 24 3.268 5.286 5.557 1.00 0.00 H new ATOM 0 HA HIS A 24 4.628 2.791 5.811 1.00 0.00 H new ATOM 0 HB2 HIS A 24 4.676 4.619 7.471 1.00 0.00 H new ATOM 0 HB3 HIS A 24 2.982 4.338 7.821 1.00 0.00 H new ATOM 0 HD1 HIS A 24 5.773 1.687 7.450 1.00 0.00 H new ATOM 0 HD2 HIS A 24 3.082 3.203 10.264 1.00 0.00 H new ATOM 0 HE1 HIS A 24 5.945 0.226 9.509 1.00 0.00 H new ATOM 400 N ARG A 25 1.318 2.758 5.846 1.00 0.00 N ATOM 401 CA ARG A 25 0.186 1.839 5.659 1.00 0.00 C ATOM 402 C ARG A 25 0.376 1.013 4.378 1.00 0.00 C ATOM 403 O ARG A 25 -0.047 -0.123 4.339 1.00 0.00 O ATOM 404 CB ARG A 25 -1.158 2.593 5.633 1.00 0.00 C ATOM 405 CG ARG A 25 -2.399 1.698 5.446 1.00 0.00 C ATOM 406 CD ARG A 25 -2.637 0.764 6.632 1.00 0.00 C ATOM 407 NE ARG A 25 -3.661 -0.251 6.314 1.00 0.00 N ATOM 408 CZ ARG A 25 -3.466 -1.569 6.312 1.00 0.00 C ATOM 409 NH1 ARG A 25 -2.325 -2.115 6.617 1.00 0.00 N ATOM 410 NH2 ARG A 25 -4.448 -2.364 6.006 1.00 0.00 N ATOM 0 H ARG A 25 1.076 3.748 5.814 1.00 0.00 H new ATOM 0 HA ARG A 25 0.160 1.160 6.511 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -1.265 3.148 6.565 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -1.132 3.326 4.827 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -3.277 2.327 5.302 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -2.281 1.104 4.539 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -1.704 0.271 6.903 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -2.953 1.345 7.498 1.00 0.00 H new ATOM 0 HE ARG A 25 -4.594 0.084 6.076 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -1.531 -1.528 6.872 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -2.225 -3.130 6.601 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -5.362 -1.978 5.769 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -4.305 -3.374 6.003 1.00 0.00 H new ATOM 424 N ALA A 26 1.022 1.558 3.354 1.00 0.00 N ATOM 425 CA ALA A 26 1.307 0.792 2.133 1.00 0.00 C ATOM 426 C ALA A 26 2.374 -0.279 2.417 1.00 0.00 C ATOM 427 O ALA A 26 2.356 -1.366 1.857 1.00 0.00 O ATOM 428 CB ALA A 26 1.766 1.724 1.005 1.00 0.00 C ATOM 0 H ALA A 26 1.359 2.521 3.338 1.00 0.00 H new ATOM 0 HA ALA A 26 0.391 0.296 1.812 1.00 0.00 H new ATOM 0 HB1 ALA A 26 1.972 1.138 0.110 1.00 0.00 H new ATOM 0 HB2 ALA A 26 0.981 2.450 0.791 1.00 0.00 H new ATOM 0 HB3 ALA A 26 2.671 2.248 1.312 1.00 0.00 H new ATOM 434 N GLU A 27 3.301 0.019 3.311 1.00 0.00 N ATOM 435 CA GLU A 27 4.286 -0.984 3.734 1.00 0.00 C ATOM 436 C GLU A 27 3.509 -2.098 4.476 1.00 0.00 C ATOM 437 O GLU A 27 3.654 -3.320 4.240 1.00 0.00 O ATOM 438 CB GLU A 27 5.314 -0.299 4.638 1.00 0.00 C ATOM 439 CG GLU A 27 6.531 -1.108 4.996 1.00 0.00 C ATOM 440 CD GLU A 27 7.540 -0.249 5.752 1.00 0.00 C ATOM 441 OE1 GLU A 27 8.758 -0.400 5.517 1.00 0.00 O ATOM 442 OE2 GLU A 27 7.105 0.597 6.577 1.00 0.00 O ATOM 0 H GLU A 27 3.399 0.931 3.757 1.00 0.00 H new ATOM 0 HA GLU A 27 4.824 -1.425 2.895 1.00 0.00 H new ATOM 0 HB2 GLU A 27 5.644 0.617 4.148 1.00 0.00 H new ATOM 0 HB3 GLU A 27 4.815 -0.004 5.561 1.00 0.00 H new ATOM 0 HG2 GLU A 27 6.240 -1.962 5.608 1.00 0.00 H new ATOM 0 HG3 GLU A 27 6.989 -1.506 4.091 1.00 0.00 H new ATOM 449 N GLN A 28 2.631 -1.654 5.355 1.00 0.00 N ATOM 450 CA GLN A 28 1.765 -2.559 6.078 1.00 0.00 C ATOM 451 C GLN A 28 0.811 -3.273 5.123 1.00 0.00 C ATOM 452 O GLN A 28 0.266 -4.285 5.496 1.00 0.00 O ATOM 453 CB GLN A 28 0.946 -1.815 7.130 1.00 0.00 C ATOM 454 CG GLN A 28 1.740 -1.215 8.278 1.00 0.00 C ATOM 455 CD GLN A 28 0.863 -0.342 9.152 1.00 0.00 C ATOM 456 OE1 GLN A 28 -0.359 -0.380 9.058 1.00 0.00 O ATOM 457 NE2 GLN A 28 1.469 0.450 9.991 1.00 0.00 N ATOM 0 H GLN A 28 2.500 -0.669 5.584 1.00 0.00 H new ATOM 0 HA GLN A 28 2.403 -3.291 6.573 1.00 0.00 H new ATOM 0 HB2 GLN A 28 0.395 -1.015 6.636 1.00 0.00 H new ATOM 0 HB3 GLN A 28 0.208 -2.503 7.543 1.00 0.00 H new ATOM 0 HG2 GLN A 28 2.177 -2.013 8.878 1.00 0.00 H new ATOM 0 HG3 GLN A 28 2.567 -0.625 7.883 1.00 0.00 H new ATOM 0 HE21 GLN A 28 2.488 0.455 10.042 1.00 0.00 H new ATOM 0 HE22 GLN A 28 0.925 1.065 10.596 1.00 0.00 H new ATOM 466 N SER A 29 0.594 -2.767 3.912 1.00 0.00 N ATOM 467 CA SER A 29 -0.287 -3.440 2.958 1.00 0.00 C ATOM 468 C SER A 29 0.481 -4.551 2.256 1.00 0.00 C ATOM 469 O SER A 29 -0.091 -5.580 1.979 1.00 0.00 O ATOM 470 CB SER A 29 -0.924 -2.472 1.946 1.00 0.00 C ATOM 471 OG SER A 29 -0.008 -2.017 0.973 1.00 0.00 O ATOM 0 H SER A 29 1.011 -1.902 3.569 1.00 0.00 H new ATOM 0 HA SER A 29 -1.117 -3.871 3.517 1.00 0.00 H new ATOM 0 HB2 SER A 29 -1.757 -2.969 1.450 1.00 0.00 H new ATOM 0 HB3 SER A 29 -1.336 -1.615 2.479 1.00 0.00 H new ATOM 0 HG SER A 29 0.907 -2.146 1.299 1.00 0.00 H new ATOM 477 N LEU A 30 1.776 -4.369 2.008 1.00 0.00 N ATOM 478 CA LEU A 30 2.630 -5.453 1.474 1.00 0.00 C ATOM 479 C LEU A 30 2.619 -6.536 2.567 1.00 0.00 C ATOM 480 O LEU A 30 2.387 -7.743 2.301 1.00 0.00 O ATOM 481 CB LEU A 30 4.046 -4.905 1.133 1.00 0.00 C ATOM 482 CG LEU A 30 5.275 -4.968 2.073 1.00 0.00 C ATOM 483 CD1 LEU A 30 6.046 -6.249 1.941 1.00 0.00 C ATOM 484 CD2 LEU A 30 6.219 -3.799 1.772 1.00 0.00 C ATOM 0 H LEU A 30 2.265 -3.488 2.164 1.00 0.00 H new ATOM 0 HA LEU A 30 2.271 -5.873 0.534 1.00 0.00 H new ATOM 0 HB2 LEU A 30 4.347 -5.407 0.213 1.00 0.00 H new ATOM 0 HB3 LEU A 30 3.908 -3.851 0.891 1.00 0.00 H new ATOM 0 HG LEU A 30 4.891 -4.911 3.092 1.00 0.00 H new ATOM 0 HD11 LEU A 30 6.895 -6.235 2.624 1.00 0.00 H new ATOM 0 HD12 LEU A 30 5.398 -7.091 2.185 1.00 0.00 H new ATOM 0 HD13 LEU A 30 6.406 -6.353 0.917 1.00 0.00 H new ATOM 0 HD21 LEU A 30 7.082 -3.848 2.436 1.00 0.00 H new ATOM 0 HD22 LEU A 30 6.554 -3.859 0.737 1.00 0.00 H new ATOM 0 HD23 LEU A 30 5.693 -2.857 1.929 1.00 0.00 H new ATOM 496 N HIS A 31 2.826 -6.116 3.812 1.00 0.00 N ATOM 497 CA HIS A 31 2.815 -7.093 4.901 1.00 0.00 C ATOM 498 C HIS A 31 1.434 -7.715 5.154 1.00 0.00 C ATOM 499 O HIS A 31 1.343 -8.904 5.444 1.00 0.00 O ATOM 500 CB HIS A 31 3.411 -6.494 6.160 1.00 0.00 C ATOM 501 CG HIS A 31 4.875 -6.206 6.032 1.00 0.00 C ATOM 502 ND1 HIS A 31 5.779 -7.042 5.415 1.00 0.00 N ATOM 503 CD2 HIS A 31 5.611 -5.137 6.446 1.00 0.00 C ATOM 504 CE1 HIS A 31 6.981 -6.483 5.495 1.00 0.00 C ATOM 505 NE2 HIS A 31 6.939 -5.320 6.113 1.00 0.00 N ATOM 0 H HIS A 31 2.997 -5.149 4.087 1.00 0.00 H new ATOM 0 HA HIS A 31 3.445 -7.924 4.584 1.00 0.00 H new ATOM 0 HB2 HIS A 31 2.884 -5.571 6.402 1.00 0.00 H new ATOM 0 HB3 HIS A 31 3.252 -7.179 6.993 1.00 0.00 H new ATOM 0 HD1 HIS A 31 5.563 -7.936 4.973 1.00 0.00 H new ATOM 0 HD2 HIS A 31 5.214 -4.273 6.959 1.00 0.00 H new ATOM 0 HE1 HIS A 31 7.883 -6.928 5.101 1.00 0.00 H new ATOM 513 N ASP A 32 0.360 -6.952 5.022 1.00 0.00 N ATOM 514 CA ASP A 32 -0.985 -7.519 5.143 1.00 0.00 C ATOM 515 C ASP A 32 -1.162 -8.498 4.007 1.00 0.00 C ATOM 516 O ASP A 32 -1.713 -9.565 4.192 1.00 0.00 O ATOM 517 CB ASP A 32 -2.091 -6.457 5.019 1.00 0.00 C ATOM 518 CG ASP A 32 -2.718 -6.084 6.357 1.00 0.00 C ATOM 519 OD1 ASP A 32 -3.074 -4.898 6.533 1.00 0.00 O ATOM 520 OD2 ASP A 32 -2.888 -6.969 7.228 1.00 0.00 O ATOM 0 H ASP A 32 0.386 -5.950 4.833 1.00 0.00 H new ATOM 0 HA ASP A 32 -1.073 -7.980 6.127 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -1.675 -5.561 4.558 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -2.869 -6.828 4.351 1.00 0.00 H new ATOM 525 N LEU A 33 -0.689 -8.145 2.824 1.00 0.00 N ATOM 526 CA LEU A 33 -0.842 -9.017 1.678 1.00 0.00 C ATOM 527 C LEU A 33 -0.197 -10.356 1.988 1.00 0.00 C ATOM 528 O LEU A 33 -0.880 -11.374 1.873 1.00 0.00 O ATOM 529 CB LEU A 33 -0.293 -8.373 0.392 1.00 0.00 C ATOM 530 CG LEU A 33 -1.354 -7.503 -0.314 1.00 0.00 C ATOM 531 CD1 LEU A 33 -0.714 -6.418 -1.190 1.00 0.00 C ATOM 532 CD2 LEU A 33 -2.291 -8.384 -1.163 1.00 0.00 C ATOM 0 H LEU A 33 -0.201 -7.269 2.635 1.00 0.00 H new ATOM 0 HA LEU A 33 -1.902 -9.183 1.487 1.00 0.00 H new ATOM 0 HB2 LEU A 33 0.575 -7.761 0.635 1.00 0.00 H new ATOM 0 HB3 LEU A 33 0.047 -9.154 -0.288 1.00 0.00 H new ATOM 0 HG LEU A 33 -1.934 -7.003 0.462 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -1.496 -5.829 -1.669 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -0.097 -5.767 -0.570 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -0.094 -6.886 -1.954 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -3.034 -7.756 -1.655 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -1.708 -8.914 -1.916 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -2.794 -9.105 -0.519 1.00 0.00 H new ATOM 544 N GLN A 34 1.064 -10.404 2.411 1.00 0.00 N ATOM 545 CA GLN A 34 1.632 -11.740 2.721 1.00 0.00 C ATOM 546 C GLN A 34 1.025 -12.424 3.959 1.00 0.00 C ATOM 547 O GLN A 34 0.784 -13.632 3.932 1.00 0.00 O ATOM 548 CB GLN A 34 3.162 -11.753 2.856 1.00 0.00 C ATOM 549 CG GLN A 34 3.762 -10.624 3.686 1.00 0.00 C ATOM 550 CD GLN A 34 4.686 -9.698 2.914 1.00 0.00 C ATOM 551 OE1 GLN A 34 5.536 -9.040 3.519 1.00 0.00 O ATOM 552 NE2 GLN A 34 4.530 -9.622 1.605 1.00 0.00 N ATOM 0 H GLN A 34 1.684 -9.605 2.544 1.00 0.00 H new ATOM 0 HA GLN A 34 1.350 -12.316 1.840 1.00 0.00 H new ATOM 0 HB2 GLN A 34 3.461 -12.703 3.299 1.00 0.00 H new ATOM 0 HB3 GLN A 34 3.597 -11.716 1.857 1.00 0.00 H new ATOM 0 HG2 GLN A 34 2.951 -10.034 4.114 1.00 0.00 H new ATOM 0 HG3 GLN A 34 4.315 -11.057 4.519 1.00 0.00 H new ATOM 0 HE21 GLN A 34 3.815 -10.184 1.143 1.00 0.00 H new ATOM 0 HE22 GLN A 34 5.125 -9.002 1.056 1.00 0.00 H new ATOM 561 N GLU A 35 0.780 -11.700 5.043 1.00 0.00 N ATOM 562 CA GLU A 35 0.258 -12.339 6.262 1.00 0.00 C ATOM 563 C GLU A 35 -1.164 -12.862 6.078 1.00 0.00 C ATOM 564 O GLU A 35 -1.498 -13.989 6.481 1.00 0.00 O ATOM 565 CB GLU A 35 0.276 -11.355 7.436 1.00 0.00 C ATOM 566 CG GLU A 35 1.668 -11.128 8.015 1.00 0.00 C ATOM 567 CD GLU A 35 2.269 -12.412 8.569 1.00 0.00 C ATOM 568 OE1 GLU A 35 3.378 -12.792 8.138 1.00 0.00 O ATOM 569 OE2 GLU A 35 1.624 -13.047 9.434 1.00 0.00 O ATOM 0 H GLU A 35 0.927 -10.693 5.113 1.00 0.00 H new ATOM 0 HA GLU A 35 0.911 -13.186 6.473 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -0.132 -10.400 7.106 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -0.380 -11.727 8.223 1.00 0.00 H new ATOM 0 HG2 GLU A 35 2.322 -10.726 7.241 1.00 0.00 H new ATOM 0 HG3 GLU A 35 1.614 -10.381 8.807 1.00 0.00 H new ATOM 576 N ARG A 36 -2.019 -12.065 5.456 1.00 0.00 N ATOM 577 CA ARG A 36 -3.397 -12.490 5.247 1.00 0.00 C ATOM 578 C ARG A 36 -3.392 -13.576 4.187 1.00 0.00 C ATOM 579 O ARG A 36 -4.220 -14.467 4.241 1.00 0.00 O ATOM 580 CB ARG A 36 -4.305 -11.329 4.835 1.00 0.00 C ATOM 581 CG ARG A 36 -4.278 -10.110 5.768 1.00 0.00 C ATOM 582 CD ARG A 36 -4.881 -10.306 7.130 1.00 0.00 C ATOM 583 NE ARG A 36 -4.562 -9.098 7.902 1.00 0.00 N ATOM 584 CZ ARG A 36 -4.968 -8.808 9.124 1.00 0.00 C ATOM 585 NH1 ARG A 36 -5.747 -9.601 9.817 1.00 0.00 N ATOM 586 NH2 ARG A 36 -4.567 -7.687 9.648 1.00 0.00 N ATOM 0 H ARG A 36 -1.792 -11.139 5.093 1.00 0.00 H new ATOM 0 HA ARG A 36 -3.802 -12.871 6.185 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -4.021 -11.005 3.834 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -5.330 -11.695 4.773 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -3.241 -9.797 5.894 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -4.801 -9.290 5.276 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -5.959 -10.449 7.060 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -4.472 -11.194 7.612 1.00 0.00 H new ATOM 0 HE ARG A 36 -3.963 -8.410 7.445 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -6.064 -10.483 9.415 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -6.036 -9.336 10.759 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -3.958 -7.064 9.116 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -4.861 -7.430 10.590 1.00 0.00 H new ATOM 600 N LEU A 37 -2.456 -13.526 3.243 1.00 0.00 N ATOM 601 CA LEU A 37 -2.324 -14.609 2.258 1.00 0.00 C ATOM 602 C LEU A 37 -1.927 -15.901 2.960 1.00 0.00 C ATOM 603 O LEU A 37 -2.509 -16.959 2.700 1.00 0.00 O ATOM 604 CB LEU A 37 -1.257 -14.263 1.220 1.00 0.00 C ATOM 605 CG LEU A 37 -0.857 -15.339 0.210 1.00 0.00 C ATOM 606 CD1 LEU A 37 -2.017 -15.712 -0.688 1.00 0.00 C ATOM 607 CD2 LEU A 37 0.304 -14.803 -0.608 1.00 0.00 C ATOM 0 H LEU A 37 -1.786 -12.764 3.135 1.00 0.00 H new ATOM 0 HA LEU A 37 -3.285 -14.736 1.759 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -1.605 -13.394 0.661 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -0.358 -13.958 1.755 1.00 0.00 H new ATOM 0 HG LEU A 37 -0.562 -16.246 0.738 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -1.699 -16.479 -1.394 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -2.838 -16.095 -0.082 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -2.351 -14.831 -1.236 1.00 0.00 H new ATOM 0 HD21 LEU A 37 0.611 -15.552 -1.338 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -0.005 -13.895 -1.127 1.00 0.00 H new ATOM 0 HD23 LEU A 37 1.141 -14.577 0.053 1.00 0.00 H new ATOM 619 N HIS A 38 -0.950 -15.820 3.856 1.00 0.00 N ATOM 620 CA HIS A 38 -0.506 -16.996 4.597 1.00 0.00 C ATOM 621 C HIS A 38 -1.682 -17.575 5.367 1.00 0.00 C ATOM 622 O HIS A 38 -1.927 -18.779 5.295 1.00 0.00 O ATOM 623 CB HIS A 38 0.645 -16.648 5.550 1.00 0.00 C ATOM 624 CG HIS A 38 1.118 -17.809 6.376 1.00 0.00 C ATOM 625 ND1 HIS A 38 0.992 -19.132 6.019 1.00 0.00 N ATOM 626 CD2 HIS A 38 1.726 -17.833 7.596 1.00 0.00 C ATOM 627 CE1 HIS A 38 1.501 -19.879 6.992 1.00 0.00 C ATOM 628 NE2 HIS A 38 1.971 -19.140 7.977 1.00 0.00 N ATOM 0 H HIS A 38 -0.453 -14.960 4.086 1.00 0.00 H new ATOM 0 HA HIS A 38 -0.133 -17.738 3.891 1.00 0.00 H new ATOM 0 HB2 HIS A 38 1.482 -16.263 4.968 1.00 0.00 H new ATOM 0 HB3 HIS A 38 0.324 -15.847 6.216 1.00 0.00 H new ATOM 0 HD2 HIS A 38 1.979 -16.960 8.179 1.00 0.00 H new ATOM 0 HE1 HIS A 38 1.527 -20.959 6.978 1.00 0.00 H new ATOM 0 HE2 HIS A 38 2.419 -19.462 8.835 1.00 0.00 H new ATOM 636 N LYS A 39 -2.431 -16.742 6.082 1.00 0.00 N ATOM 637 CA LYS A 39 -3.597 -17.258 6.808 1.00 0.00 C ATOM 638 C LYS A 39 -4.636 -17.842 5.847 1.00 0.00 C ATOM 639 O LYS A 39 -5.175 -18.919 6.091 1.00 0.00 O ATOM 640 CB LYS A 39 -4.262 -16.176 7.663 1.00 0.00 C ATOM 641 CG LYS A 39 -5.322 -16.784 8.576 1.00 0.00 C ATOM 642 CD LYS A 39 -6.202 -15.773 9.266 1.00 0.00 C ATOM 643 CE LYS A 39 -7.256 -16.559 10.022 1.00 0.00 C ATOM 644 NZ LYS A 39 -8.357 -15.768 10.624 1.00 0.00 N ATOM 0 H LYS A 39 -2.265 -15.740 6.177 1.00 0.00 H new ATOM 0 HA LYS A 39 -3.227 -18.046 7.464 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -3.508 -15.665 8.263 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -4.718 -15.425 7.018 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -5.950 -17.453 7.988 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -4.827 -17.393 9.332 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -5.619 -15.153 9.947 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -6.664 -15.103 8.541 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -7.692 -17.290 9.341 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -6.762 -17.118 10.816 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -9.016 -16.407 11.114 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -7.964 -15.088 11.305 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -8.865 -15.254 9.876 1.00 0.00 H new ATOM 658 N ALA A 40 -4.915 -17.138 4.759 1.00 0.00 N ATOM 659 CA ALA A 40 -5.908 -17.589 3.791 1.00 0.00 C ATOM 660 C ALA A 40 -5.488 -18.927 3.196 1.00 0.00 C ATOM 661 O ALA A 40 -6.317 -19.784 2.920 1.00 0.00 O ATOM 662 CB ALA A 40 -6.098 -16.544 2.686 1.00 0.00 C ATOM 0 H ALA A 40 -4.468 -16.252 4.523 1.00 0.00 H new ATOM 0 HA ALA A 40 -6.861 -17.718 4.304 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -6.843 -16.899 1.974 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -6.436 -15.606 3.127 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -5.151 -16.383 2.171 1.00 0.00 H new ATOM 668 N GLN A 41 -4.201 -19.134 3.009 1.00 0.00 N ATOM 669 CA GLN A 41 -3.774 -20.430 2.537 1.00 0.00 C ATOM 670 C GLN A 41 -3.969 -21.447 3.674 1.00 0.00 C ATOM 671 O GLN A 41 -4.713 -22.412 3.526 1.00 0.00 O ATOM 672 CB GLN A 41 -2.305 -20.366 2.102 1.00 0.00 C ATOM 673 CG GLN A 41 -1.723 -21.692 1.632 1.00 0.00 C ATOM 674 CD GLN A 41 -0.492 -22.066 2.425 1.00 0.00 C ATOM 675 OE1 GLN A 41 0.608 -21.640 2.112 1.00 0.00 O ATOM 676 NE2 GLN A 41 -0.673 -22.849 3.453 1.00 0.00 N ATOM 0 H GLN A 41 -3.460 -18.451 3.169 1.00 0.00 H new ATOM 0 HA GLN A 41 -4.365 -20.737 1.674 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -2.210 -19.637 1.297 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -1.709 -19.998 2.937 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -2.474 -22.476 1.731 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -1.470 -21.625 0.574 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -1.609 -23.183 3.681 1.00 0.00 H new ATOM 0 HE22 GLN A 41 0.122 -23.127 4.029 1.00 0.00 H new ATOM 685 N GLU A 42 -3.326 -21.228 4.809 1.00 0.00 N ATOM 686 CA GLU A 42 -3.306 -22.241 5.861 1.00 0.00 C ATOM 687 C GLU A 42 -4.687 -22.667 6.350 1.00 0.00 C ATOM 688 O GLU A 42 -4.907 -23.844 6.624 1.00 0.00 O ATOM 689 CB GLU A 42 -2.417 -21.795 7.023 1.00 0.00 C ATOM 690 CG GLU A 42 -1.751 -22.975 7.738 1.00 0.00 C ATOM 691 CD GLU A 42 -0.813 -23.755 6.810 1.00 0.00 C ATOM 692 OE1 GLU A 42 0.174 -23.169 6.319 1.00 0.00 O ATOM 693 OE2 GLU A 42 -1.074 -24.959 6.558 1.00 0.00 O ATOM 0 H GLU A 42 -2.817 -20.372 5.028 1.00 0.00 H new ATOM 0 HA GLU A 42 -2.879 -23.134 5.405 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -1.648 -21.120 6.649 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -3.016 -21.231 7.739 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -1.188 -22.608 8.596 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -2.519 -23.645 8.123 1.00 0.00 H new ATOM 700 N GLU A 43 -5.629 -21.745 6.438 1.00 0.00 N ATOM 701 CA GLU A 43 -6.980 -22.130 6.818 1.00 0.00 C ATOM 702 C GLU A 43 -7.853 -22.468 5.608 1.00 0.00 C ATOM 703 O GLU A 43 -8.575 -23.463 5.633 1.00 0.00 O ATOM 704 CB GLU A 43 -7.659 -21.016 7.628 1.00 0.00 C ATOM 705 CG GLU A 43 -7.043 -20.804 9.014 1.00 0.00 C ATOM 706 CD GLU A 43 -7.837 -19.819 9.876 1.00 0.00 C ATOM 707 OE1 GLU A 43 -8.872 -19.287 9.414 1.00 0.00 O ATOM 708 OE2 GLU A 43 -7.414 -19.563 11.028 1.00 0.00 O ATOM 0 H GLU A 43 -5.493 -20.750 6.258 1.00 0.00 H new ATOM 0 HA GLU A 43 -6.882 -23.027 7.430 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -7.601 -20.083 7.067 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -8.717 -21.254 7.742 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -6.982 -21.763 9.529 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -6.023 -20.438 8.900 1.00 0.00 H new ATOM 715 N HIS A 44 -7.828 -21.639 4.568 1.00 0.00 N ATOM 716 CA HIS A 44 -8.797 -21.805 3.466 1.00 0.00 C ATOM 717 C HIS A 44 -8.291 -22.550 2.243 1.00 0.00 C ATOM 718 O HIS A 44 -9.026 -23.322 1.646 1.00 0.00 O ATOM 719 CB HIS A 44 -9.378 -20.446 3.049 1.00 0.00 C ATOM 720 CG HIS A 44 -9.750 -19.575 4.207 1.00 0.00 C ATOM 721 ND1 HIS A 44 -9.370 -18.308 4.519 1.00 0.00 N flip ATOM 722 CD2 HIS A 44 -10.597 -19.950 5.220 1.00 0.00 C flip ATOM 723 CE1 HIS A 44 -9.954 -17.912 5.705 1.00 0.00 C flip ATOM 724 NE2 HIS A 44 -10.679 -18.945 6.087 1.00 0.00 N flip ATOM 0 H HIS A 44 -7.173 -20.865 4.456 1.00 0.00 H new ATOM 0 HA HIS A 44 -9.571 -22.447 3.885 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -8.649 -19.923 2.430 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -10.260 -20.611 2.431 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -11.109 -20.898 5.299 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -9.842 -16.964 6.210 1.00 0.00 H new ATOM 0 HE2 HIS A 44 -11.234 -18.970 6.942 1.00 0.00 H new ATOM 732 N ARG A 45 -7.033 -22.317 1.882 1.00 0.00 N ATOM 733 CA ARG A 45 -6.378 -22.962 0.716 1.00 0.00 C ATOM 734 C ARG A 45 -7.279 -23.097 -0.518 1.00 0.00 C ATOM 735 O ARG A 45 -7.592 -24.193 -0.978 1.00 0.00 O ATOM 736 CB ARG A 45 -5.723 -24.312 1.101 1.00 0.00 C ATOM 737 CG ARG A 45 -6.615 -25.353 1.816 1.00 0.00 C ATOM 738 CD ARG A 45 -5.760 -26.433 2.458 1.00 0.00 C ATOM 739 NE ARG A 45 -5.107 -25.934 3.685 1.00 0.00 N ATOM 740 CZ ARG A 45 -3.878 -26.237 4.090 1.00 0.00 C ATOM 741 NH1 ARG A 45 -3.082 -27.026 3.412 1.00 0.00 N ATOM 742 NH2 ARG A 45 -3.443 -25.730 5.197 1.00 0.00 N ATOM 0 H ARG A 45 -6.423 -21.673 2.385 1.00 0.00 H new ATOM 0 HA ARG A 45 -5.586 -22.276 0.416 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -5.333 -24.769 0.192 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -4.868 -24.101 1.744 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -7.221 -24.861 2.576 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -7.304 -25.803 1.101 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -6.380 -27.297 2.698 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -5.003 -26.770 1.750 1.00 0.00 H new ATOM 0 HE ARG A 45 -5.647 -25.300 4.274 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -3.398 -27.436 2.533 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -2.146 -27.230 3.763 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -4.040 -25.109 5.743 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -2.503 -25.951 5.524 1.00 0.00 H new ATOM 756 N THR A 46 -7.672 -21.946 -1.050 1.00 0.00 N ATOM 757 CA THR A 46 -8.484 -21.871 -2.268 1.00 0.00 C ATOM 758 C THR A 46 -7.773 -22.567 -3.436 1.00 0.00 C ATOM 759 O THR A 46 -6.586 -22.855 -3.363 1.00 0.00 O ATOM 760 CB THR A 46 -8.795 -20.382 -2.621 1.00 0.00 C ATOM 761 OG1 THR A 46 -9.709 -20.320 -3.719 1.00 0.00 O ATOM 762 CG2 THR A 46 -7.538 -19.621 -2.995 1.00 0.00 C ATOM 0 H THR A 46 -7.439 -21.036 -0.653 1.00 0.00 H new ATOM 0 HA THR A 46 -9.427 -22.388 -2.088 1.00 0.00 H new ATOM 0 HB THR A 46 -9.232 -19.923 -1.734 1.00 0.00 H new ATOM 0 HG1 THR A 46 -9.900 -19.383 -3.933 1.00 0.00 H new ATOM 0 HG21 THR A 46 -7.795 -18.589 -3.234 1.00 0.00 H new ATOM 0 HG22 THR A 46 -6.840 -19.637 -2.158 1.00 0.00 H new ATOM 0 HG23 THR A 46 -7.074 -20.090 -3.863 1.00 0.00 H new ATOM 770 N VAL A 47 -8.502 -22.826 -4.515 1.00 0.00 N ATOM 771 CA VAL A 47 -7.980 -23.553 -5.685 1.00 0.00 C ATOM 772 C VAL A 47 -6.686 -22.941 -6.266 1.00 0.00 C ATOM 773 O VAL A 47 -5.895 -23.628 -6.909 1.00 0.00 O ATOM 774 CB VAL A 47 -9.103 -23.658 -6.779 1.00 0.00 C ATOM 775 CG1 VAL A 47 -9.382 -22.292 -7.438 1.00 0.00 C ATOM 776 CG2 VAL A 47 -8.755 -24.709 -7.841 1.00 0.00 C ATOM 0 H VAL A 47 -9.476 -22.540 -4.612 1.00 0.00 H new ATOM 0 HA VAL A 47 -7.699 -24.551 -5.348 1.00 0.00 H new ATOM 0 HB VAL A 47 -10.013 -23.978 -6.272 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -10.164 -22.403 -8.189 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -9.707 -21.581 -6.678 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -8.472 -21.925 -7.913 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -9.553 -24.756 -8.582 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -7.820 -24.436 -8.331 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -8.644 -25.684 -7.366 1.00 0.00 H new ATOM 786 N GLU A 48 -6.456 -21.660 -6.017 1.00 0.00 N ATOM 787 CA GLU A 48 -5.241 -20.988 -6.476 1.00 0.00 C ATOM 788 C GLU A 48 -3.972 -21.510 -5.792 1.00 0.00 C ATOM 789 O GLU A 48 -2.877 -21.213 -6.255 1.00 0.00 O ATOM 790 CB GLU A 48 -5.299 -19.497 -6.141 1.00 0.00 C ATOM 791 CG GLU A 48 -6.455 -18.710 -6.714 1.00 0.00 C ATOM 792 CD GLU A 48 -6.365 -17.251 -6.279 1.00 0.00 C ATOM 793 OE1 GLU A 48 -6.445 -16.992 -5.055 1.00 0.00 O ATOM 794 OE2 GLU A 48 -6.194 -16.366 -7.139 1.00 0.00 O ATOM 0 H GLU A 48 -7.096 -21.059 -5.497 1.00 0.00 H new ATOM 0 HA GLU A 48 -5.196 -21.180 -7.548 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -5.324 -19.394 -5.056 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -4.372 -19.036 -6.484 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -6.444 -18.774 -7.802 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -7.399 -19.140 -6.379 1.00 0.00 H new ATOM 801 N VAL A 49 -4.124 -22.248 -4.692 1.00 0.00 N ATOM 802 CA VAL A 49 -3.012 -22.671 -3.811 1.00 0.00 C ATOM 803 C VAL A 49 -1.727 -23.143 -4.508 1.00 0.00 C ATOM 804 O VAL A 49 -0.629 -22.875 -4.021 1.00 0.00 O ATOM 805 CB VAL A 49 -3.516 -23.739 -2.763 1.00 0.00 C ATOM 806 CG1 VAL A 49 -3.932 -25.057 -3.445 1.00 0.00 C ATOM 807 CG2 VAL A 49 -2.463 -24.002 -1.678 1.00 0.00 C ATOM 0 H VAL A 49 -5.035 -22.579 -4.375 1.00 0.00 H new ATOM 0 HA VAL A 49 -2.705 -21.755 -3.306 1.00 0.00 H new ATOM 0 HB VAL A 49 -4.400 -23.318 -2.283 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -4.273 -25.766 -2.690 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -4.740 -24.862 -4.151 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -3.078 -25.476 -3.977 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -2.843 -24.742 -0.974 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -1.550 -24.377 -2.140 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -2.247 -23.074 -1.148 1.00 0.00 H new ATOM 817 N GLU A 50 -1.851 -23.805 -5.649 1.00 0.00 N ATOM 818 CA GLU A 50 -0.693 -24.274 -6.412 1.00 0.00 C ATOM 819 C GLU A 50 0.272 -23.118 -6.755 1.00 0.00 C ATOM 820 O GLU A 50 1.492 -23.305 -6.782 1.00 0.00 O ATOM 821 CB GLU A 50 -1.206 -24.965 -7.688 1.00 0.00 C ATOM 822 CG GLU A 50 -0.134 -25.494 -8.651 1.00 0.00 C ATOM 823 CD GLU A 50 0.792 -26.536 -8.036 1.00 0.00 C ATOM 824 OE1 GLU A 50 1.971 -26.582 -8.468 1.00 0.00 O ATOM 825 OE2 GLU A 50 0.371 -27.289 -7.140 1.00 0.00 O ATOM 0 H GLU A 50 -2.750 -24.034 -6.074 1.00 0.00 H new ATOM 0 HA GLU A 50 -0.124 -24.981 -5.808 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -1.843 -25.799 -7.393 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -1.835 -24.259 -8.230 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -0.625 -25.928 -9.522 1.00 0.00 H new ATOM 0 HG3 GLU A 50 0.465 -24.656 -9.008 1.00 0.00 H new ATOM 832 N LYS A 51 -0.262 -21.925 -7.006 1.00 0.00 N ATOM 833 CA LYS A 51 0.556 -20.747 -7.353 1.00 0.00 C ATOM 834 C LYS A 51 0.083 -19.474 -6.639 1.00 0.00 C ATOM 835 O LYS A 51 0.400 -18.374 -7.071 1.00 0.00 O ATOM 836 CB LYS A 51 0.519 -20.504 -8.879 1.00 0.00 C ATOM 837 CG LYS A 51 1.031 -21.674 -9.741 1.00 0.00 C ATOM 838 CD LYS A 51 2.549 -21.885 -9.613 1.00 0.00 C ATOM 839 CE LYS A 51 2.945 -23.295 -10.052 1.00 0.00 C ATOM 840 NZ LYS A 51 3.247 -24.152 -8.850 1.00 0.00 N ATOM 0 H LYS A 51 -1.265 -21.740 -6.977 1.00 0.00 H new ATOM 0 HA LYS A 51 1.573 -20.963 -7.024 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -0.507 -20.280 -9.171 1.00 0.00 H new ATOM 0 HB3 LYS A 51 1.114 -19.619 -9.105 1.00 0.00 H new ATOM 0 HG2 LYS A 51 0.515 -22.589 -9.448 1.00 0.00 H new ATOM 0 HG3 LYS A 51 0.781 -21.487 -10.785 1.00 0.00 H new ATOM 0 HD2 LYS A 51 3.075 -21.150 -10.222 1.00 0.00 H new ATOM 0 HD3 LYS A 51 2.857 -21.722 -8.580 1.00 0.00 H new ATOM 0 HE2 LYS A 51 2.138 -23.742 -10.633 1.00 0.00 H new ATOM 0 HE3 LYS A 51 3.818 -23.249 -10.703 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 2.864 -25.107 -9.000 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 4.277 -24.209 -8.714 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 2.809 -23.732 -8.005 1.00 0.00 H new ATOM 854 N VAL A 52 -0.678 -19.620 -5.562 1.00 0.00 N ATOM 855 CA VAL A 52 -1.246 -18.460 -4.850 1.00 0.00 C ATOM 856 C VAL A 52 -0.190 -17.595 -4.157 1.00 0.00 C ATOM 857 O VAL A 52 -0.461 -16.467 -3.771 1.00 0.00 O ATOM 858 CB VAL A 52 -2.324 -18.920 -3.797 1.00 0.00 C ATOM 859 CG1 VAL A 52 -1.674 -19.413 -2.483 1.00 0.00 C ATOM 860 CG2 VAL A 52 -3.342 -17.809 -3.522 1.00 0.00 C ATOM 0 H VAL A 52 -0.921 -20.523 -5.156 1.00 0.00 H new ATOM 0 HA VAL A 52 -1.715 -17.843 -5.617 1.00 0.00 H new ATOM 0 HB VAL A 52 -2.856 -19.765 -4.234 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -2.453 -19.721 -1.785 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -1.022 -20.260 -2.695 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -1.089 -18.606 -2.041 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -4.072 -18.157 -2.792 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -2.827 -16.932 -3.130 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -3.853 -17.546 -4.448 1.00 0.00 H new ATOM 870 N HIS A 53 1.012 -18.125 -3.988 1.00 0.00 N ATOM 871 CA HIS A 53 2.073 -17.403 -3.293 1.00 0.00 C ATOM 872 C HIS A 53 3.386 -17.516 -4.082 1.00 0.00 C ATOM 873 O HIS A 53 3.452 -17.115 -5.251 1.00 0.00 O ATOM 874 CB HIS A 53 2.190 -17.943 -1.850 1.00 0.00 C ATOM 875 CG HIS A 53 2.981 -17.060 -0.928 1.00 0.00 C ATOM 876 ND1 HIS A 53 3.007 -17.201 0.438 1.00 0.00 N ATOM 877 CD2 HIS A 53 3.791 -15.992 -1.186 1.00 0.00 C ATOM 878 CE1 HIS A 53 3.805 -16.261 0.939 1.00 0.00 C ATOM 879 NE2 HIS A 53 4.317 -15.502 -0.009 1.00 0.00 N ATOM 0 H HIS A 53 1.279 -19.051 -4.321 1.00 0.00 H new ATOM 0 HA HIS A 53 1.837 -16.341 -3.228 1.00 0.00 H new ATOM 0 HB2 HIS A 53 1.189 -18.074 -1.440 1.00 0.00 H new ATOM 0 HB3 HIS A 53 2.654 -18.929 -1.879 1.00 0.00 H new ATOM 0 HD1 HIS A 53 2.502 -17.905 0.976 1.00 0.00 H new ATOM 0 HD2 HIS A 53 3.991 -15.590 -2.168 1.00 0.00 H new ATOM 0 HE1 HIS A 53 4.008 -16.136 1.992 1.00 0.00 H new ATOM 887 N LEU A 54 4.415 -18.054 -3.437 1.00 0.00 N ATOM 888 CA LEU A 54 5.750 -18.197 -4.010 1.00 0.00 C ATOM 889 C LEU A 54 6.350 -16.826 -4.345 1.00 0.00 C ATOM 890 O LEU A 54 5.717 -15.767 -4.187 1.00 0.00 O ATOM 891 CB LEU A 54 5.738 -19.115 -5.255 1.00 0.00 C ATOM 892 CG LEU A 54 5.047 -20.483 -5.097 1.00 0.00 C ATOM 893 CD1 LEU A 54 4.934 -21.158 -6.461 1.00 0.00 C ATOM 894 CD2 LEU A 54 5.811 -21.393 -4.130 1.00 0.00 C ATOM 0 H LEU A 54 4.344 -18.410 -2.484 1.00 0.00 H new ATOM 0 HA LEU A 54 6.382 -18.671 -3.259 1.00 0.00 H new ATOM 0 HB2 LEU A 54 5.250 -18.579 -6.069 1.00 0.00 H new ATOM 0 HB3 LEU A 54 6.770 -19.288 -5.561 1.00 0.00 H new ATOM 0 HG LEU A 54 4.054 -20.314 -4.682 1.00 0.00 H new ATOM 0 HD11 LEU A 54 4.445 -22.126 -6.349 1.00 0.00 H new ATOM 0 HD12 LEU A 54 4.346 -20.530 -7.130 1.00 0.00 H new ATOM 0 HD13 LEU A 54 5.930 -21.301 -6.880 1.00 0.00 H new ATOM 0 HD21 LEU A 54 5.294 -22.349 -4.044 1.00 0.00 H new ATOM 0 HD22 LEU A 54 6.820 -21.559 -4.507 1.00 0.00 H new ATOM 0 HD23 LEU A 54 5.864 -20.919 -3.150 1.00 0.00 H new ATOM 906 N GLU A 55 7.584 -16.870 -4.819 1.00 0.00 N ATOM 907 CA GLU A 55 8.334 -15.673 -5.173 1.00 0.00 C ATOM 908 C GLU A 55 7.544 -14.795 -6.142 1.00 0.00 C ATOM 909 O GLU A 55 7.563 -13.573 -6.030 1.00 0.00 O ATOM 910 CB GLU A 55 9.675 -16.108 -5.784 1.00 0.00 C ATOM 911 CG GLU A 55 10.601 -14.966 -6.205 1.00 0.00 C ATOM 912 CD GLU A 55 10.581 -14.690 -7.712 1.00 0.00 C ATOM 913 OE1 GLU A 55 9.623 -15.088 -8.408 1.00 0.00 O ATOM 914 OE2 GLU A 55 11.540 -14.055 -8.199 1.00 0.00 O ATOM 0 H GLU A 55 8.097 -17.739 -4.970 1.00 0.00 H new ATOM 0 HA GLU A 55 8.514 -15.073 -4.281 1.00 0.00 H new ATOM 0 HB2 GLU A 55 10.200 -16.732 -5.061 1.00 0.00 H new ATOM 0 HB3 GLU A 55 9.474 -16.731 -6.655 1.00 0.00 H new ATOM 0 HG2 GLU A 55 10.312 -14.059 -5.673 1.00 0.00 H new ATOM 0 HG3 GLU A 55 11.620 -15.203 -5.900 1.00 0.00 H new ATOM 921 N LYS A 56 6.835 -15.409 -7.081 1.00 0.00 N ATOM 922 CA LYS A 56 6.085 -14.633 -8.063 1.00 0.00 C ATOM 923 C LYS A 56 4.947 -13.820 -7.445 1.00 0.00 C ATOM 924 O LYS A 56 4.899 -12.610 -7.649 1.00 0.00 O ATOM 925 CB LYS A 56 5.556 -15.530 -9.190 1.00 0.00 C ATOM 926 CG LYS A 56 5.756 -14.936 -10.600 1.00 0.00 C ATOM 927 CD LYS A 56 5.018 -13.603 -10.781 1.00 0.00 C ATOM 928 CE LYS A 56 5.130 -13.073 -12.198 1.00 0.00 C ATOM 929 NZ LYS A 56 4.470 -11.727 -12.275 1.00 0.00 N ATOM 0 H LYS A 56 6.763 -16.421 -7.184 1.00 0.00 H new ATOM 0 HA LYS A 56 6.790 -13.916 -8.483 1.00 0.00 H new ATOM 0 HB2 LYS A 56 6.056 -16.497 -9.138 1.00 0.00 H new ATOM 0 HB3 LYS A 56 4.493 -15.712 -9.029 1.00 0.00 H new ATOM 0 HG2 LYS A 56 6.820 -14.787 -10.781 1.00 0.00 H new ATOM 0 HG3 LYS A 56 5.403 -15.648 -11.345 1.00 0.00 H new ATOM 0 HD2 LYS A 56 3.966 -13.735 -10.526 1.00 0.00 H new ATOM 0 HD3 LYS A 56 5.425 -12.868 -10.087 1.00 0.00 H new ATOM 0 HE2 LYS A 56 6.178 -12.995 -12.488 1.00 0.00 H new ATOM 0 HE3 LYS A 56 4.657 -13.764 -12.896 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 4.178 -11.539 -13.255 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 3.634 -11.714 -11.657 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 5.140 -10.994 -11.966 1.00 0.00 H new ATOM 943 N LYS A 57 4.028 -14.435 -6.703 1.00 0.00 N ATOM 944 CA LYS A 57 2.918 -13.640 -6.166 1.00 0.00 C ATOM 945 C LYS A 57 3.446 -12.731 -5.074 1.00 0.00 C ATOM 946 O LYS A 57 2.932 -11.640 -4.901 1.00 0.00 O ATOM 947 CB LYS A 57 1.750 -14.503 -5.672 1.00 0.00 C ATOM 948 CG LYS A 57 0.357 -13.971 -6.093 1.00 0.00 C ATOM 949 CD LYS A 57 -0.208 -12.859 -5.183 1.00 0.00 C ATOM 950 CE LYS A 57 -0.756 -13.427 -3.878 1.00 0.00 C ATOM 951 NZ LYS A 57 -1.383 -12.383 -3.001 1.00 0.00 N ATOM 0 H LYS A 57 4.022 -15.427 -6.467 1.00 0.00 H new ATOM 0 HA LYS A 57 2.507 -13.036 -6.975 1.00 0.00 H new ATOM 0 HB2 LYS A 57 1.872 -15.516 -6.054 1.00 0.00 H new ATOM 0 HB3 LYS A 57 1.791 -14.565 -4.585 1.00 0.00 H new ATOM 0 HG2 LYS A 57 0.421 -13.591 -7.112 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -0.346 -14.804 -6.107 1.00 0.00 H new ATOM 0 HD2 LYS A 57 0.576 -12.134 -4.964 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -0.999 -12.325 -5.709 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -1.496 -14.195 -4.105 1.00 0.00 H new ATOM 0 HE3 LYS A 57 0.052 -13.914 -3.333 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -0.861 -12.325 -2.103 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -1.350 -11.461 -3.481 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -2.373 -12.639 -2.810 1.00 0.00 H new ATOM 965 N LEU A 58 4.488 -13.144 -4.363 1.00 0.00 N ATOM 966 CA LEU A 58 5.083 -12.258 -3.358 1.00 0.00 C ATOM 967 C LEU A 58 5.567 -10.959 -4.040 1.00 0.00 C ATOM 968 O LEU A 58 5.237 -9.839 -3.629 1.00 0.00 O ATOM 969 CB LEU A 58 6.251 -12.970 -2.662 1.00 0.00 C ATOM 970 CG LEU A 58 6.926 -12.229 -1.500 1.00 0.00 C ATOM 971 CD1 LEU A 58 5.981 -12.073 -0.318 1.00 0.00 C ATOM 972 CD2 LEU A 58 8.171 -13.001 -1.066 1.00 0.00 C ATOM 0 H LEU A 58 4.931 -14.058 -4.455 1.00 0.00 H new ATOM 0 HA LEU A 58 4.336 -12.004 -2.606 1.00 0.00 H new ATOM 0 HB2 LEU A 58 5.889 -13.928 -2.288 1.00 0.00 H new ATOM 0 HB3 LEU A 58 7.011 -13.187 -3.413 1.00 0.00 H new ATOM 0 HG LEU A 58 7.203 -11.232 -1.842 1.00 0.00 H new ATOM 0 HD11 LEU A 58 6.490 -11.544 0.488 1.00 0.00 H new ATOM 0 HD12 LEU A 58 5.103 -11.505 -0.627 1.00 0.00 H new ATOM 0 HD13 LEU A 58 5.672 -13.058 0.033 1.00 0.00 H new ATOM 0 HD21 LEU A 58 8.654 -12.478 -0.240 1.00 0.00 H new ATOM 0 HD22 LEU A 58 7.884 -14.002 -0.743 1.00 0.00 H new ATOM 0 HD23 LEU A 58 8.864 -13.074 -1.904 1.00 0.00 H new ATOM 984 N ARG A 59 6.339 -11.099 -5.106 1.00 0.00 N ATOM 985 CA ARG A 59 6.843 -9.923 -5.813 1.00 0.00 C ATOM 986 C ARG A 59 5.712 -9.107 -6.409 1.00 0.00 C ATOM 987 O ARG A 59 5.794 -7.891 -6.428 1.00 0.00 O ATOM 988 CB ARG A 59 7.823 -10.332 -6.909 1.00 0.00 C ATOM 989 CG ARG A 59 9.181 -10.755 -6.363 1.00 0.00 C ATOM 990 CD ARG A 59 10.057 -11.336 -7.454 1.00 0.00 C ATOM 991 NE ARG A 59 10.433 -10.334 -8.464 1.00 0.00 N ATOM 992 CZ ARG A 59 11.184 -10.574 -9.534 1.00 0.00 C ATOM 993 NH1 ARG A 59 11.685 -11.753 -9.796 1.00 0.00 N ATOM 994 NH2 ARG A 59 11.436 -9.598 -10.360 1.00 0.00 N ATOM 0 H ARG A 59 6.628 -11.995 -5.498 1.00 0.00 H new ATOM 0 HA ARG A 59 7.364 -9.302 -5.084 1.00 0.00 H new ATOM 0 HB2 ARG A 59 7.396 -11.154 -7.483 1.00 0.00 H new ATOM 0 HB3 ARG A 59 7.958 -9.498 -7.598 1.00 0.00 H new ATOM 0 HG2 ARG A 59 9.678 -9.895 -5.914 1.00 0.00 H new ATOM 0 HG3 ARG A 59 9.044 -11.493 -5.573 1.00 0.00 H new ATOM 0 HD2 ARG A 59 10.959 -11.754 -7.008 1.00 0.00 H new ATOM 0 HD3 ARG A 59 9.531 -12.158 -7.940 1.00 0.00 H new ATOM 0 HE ARG A 59 10.091 -9.382 -8.333 1.00 0.00 H new ATOM 0 HH11 ARG A 59 11.505 -12.535 -9.167 1.00 0.00 H new ATOM 0 HH12 ARG A 59 12.256 -11.891 -10.630 1.00 0.00 H new ATOM 0 HH21 ARG A 59 11.059 -8.668 -10.180 1.00 0.00 H new ATOM 0 HH22 ARG A 59 12.011 -9.765 -11.186 1.00 0.00 H new ATOM 1008 N ASP A 60 4.667 -9.756 -6.892 1.00 0.00 N ATOM 1009 CA ASP A 60 3.537 -9.042 -7.496 1.00 0.00 C ATOM 1010 C ASP A 60 2.689 -8.282 -6.471 1.00 0.00 C ATOM 1011 O ASP A 60 2.233 -7.172 -6.746 1.00 0.00 O ATOM 1012 CB ASP A 60 2.628 -10.011 -8.260 1.00 0.00 C ATOM 1013 CG ASP A 60 3.216 -10.449 -9.598 1.00 0.00 C ATOM 1014 OD1 ASP A 60 2.571 -11.279 -10.276 1.00 0.00 O ATOM 1015 OD2 ASP A 60 4.310 -9.973 -9.996 1.00 0.00 O ATOM 0 H ASP A 60 4.570 -10.771 -6.882 1.00 0.00 H new ATOM 0 HA ASP A 60 3.977 -8.313 -8.177 1.00 0.00 H new ATOM 0 HB2 ASP A 60 2.445 -10.891 -7.644 1.00 0.00 H new ATOM 0 HB3 ASP A 60 1.662 -9.536 -8.432 1.00 0.00 H new ATOM 1020 N GLU A 61 2.466 -8.852 -5.296 1.00 0.00 N ATOM 1021 CA GLU A 61 1.650 -8.181 -4.279 1.00 0.00 C ATOM 1022 C GLU A 61 2.451 -7.002 -3.693 1.00 0.00 C ATOM 1023 O GLU A 61 1.934 -5.880 -3.521 1.00 0.00 O ATOM 1024 CB GLU A 61 1.177 -9.191 -3.211 1.00 0.00 C ATOM 1025 CG GLU A 61 2.241 -9.643 -2.221 1.00 0.00 C ATOM 1026 CD GLU A 61 1.799 -10.769 -1.321 1.00 0.00 C ATOM 1027 OE1 GLU A 61 2.540 -11.051 -0.353 1.00 0.00 O ATOM 1028 OE2 GLU A 61 0.730 -11.384 -1.573 1.00 0.00 O ATOM 0 H GLU A 61 2.830 -9.764 -5.020 1.00 0.00 H new ATOM 0 HA GLU A 61 0.743 -7.773 -4.725 1.00 0.00 H new ATOM 0 HB2 GLU A 61 0.353 -8.745 -2.654 1.00 0.00 H new ATOM 0 HB3 GLU A 61 0.780 -10.070 -3.718 1.00 0.00 H new ATOM 0 HG2 GLU A 61 3.126 -9.958 -2.773 1.00 0.00 H new ATOM 0 HG3 GLU A 61 2.535 -8.793 -1.605 1.00 0.00 H new ATOM 1035 N ILE A 62 3.730 -7.222 -3.425 1.00 0.00 N ATOM 1036 CA ILE A 62 4.583 -6.130 -2.987 1.00 0.00 C ATOM 1037 C ILE A 62 4.684 -5.084 -4.116 1.00 0.00 C ATOM 1038 O ILE A 62 4.794 -3.895 -3.853 1.00 0.00 O ATOM 1039 CB ILE A 62 5.975 -6.642 -2.531 1.00 0.00 C ATOM 1040 CG1 ILE A 62 5.795 -7.688 -1.406 1.00 0.00 C ATOM 1041 CG2 ILE A 62 6.814 -5.467 -1.992 1.00 0.00 C ATOM 1042 CD1 ILE A 62 7.079 -8.406 -0.979 1.00 0.00 C ATOM 0 H ILE A 62 4.192 -8.128 -3.501 1.00 0.00 H new ATOM 0 HA ILE A 62 4.139 -5.653 -2.113 1.00 0.00 H new ATOM 0 HB ILE A 62 6.485 -7.094 -3.382 1.00 0.00 H new ATOM 0 HG12 ILE A 62 5.367 -7.192 -0.535 1.00 0.00 H new ATOM 0 HG13 ILE A 62 5.072 -8.434 -1.736 1.00 0.00 H new ATOM 0 HG21 ILE A 62 7.790 -5.833 -1.673 1.00 0.00 H new ATOM 0 HG22 ILE A 62 6.944 -4.722 -2.777 1.00 0.00 H new ATOM 0 HG23 ILE A 62 6.302 -5.013 -1.143 1.00 0.00 H new ATOM 0 HD11 ILE A 62 6.851 -9.119 -0.187 1.00 0.00 H new ATOM 0 HD12 ILE A 62 7.501 -8.936 -1.833 1.00 0.00 H new ATOM 0 HD13 ILE A 62 7.800 -7.675 -0.613 1.00 0.00 H new ATOM 1054 N ASN A 63 4.612 -5.500 -5.376 1.00 0.00 N ATOM 1055 CA ASN A 63 4.604 -4.536 -6.487 1.00 0.00 C ATOM 1056 C ASN A 63 3.311 -3.711 -6.477 1.00 0.00 C ATOM 1057 O ASN A 63 3.321 -2.539 -6.850 1.00 0.00 O ATOM 1058 CB ASN A 63 4.741 -5.237 -7.841 1.00 0.00 C ATOM 1059 CG ASN A 63 4.854 -4.267 -8.979 1.00 0.00 C ATOM 1060 OD1 ASN A 63 5.820 -3.514 -9.078 1.00 0.00 O ATOM 1061 ND2 ASN A 63 3.885 -4.275 -9.851 1.00 0.00 N ATOM 0 H ASN A 63 4.559 -6.479 -5.658 1.00 0.00 H new ATOM 0 HA ASN A 63 5.461 -3.877 -6.347 1.00 0.00 H new ATOM 0 HB2 ASN A 63 5.621 -5.880 -7.827 1.00 0.00 H new ATOM 0 HB3 ASN A 63 3.877 -5.882 -8.002 1.00 0.00 H new ATOM 0 HD21 ASN A 63 3.912 -3.641 -10.650 1.00 0.00 H new ATOM 0 HD22 ASN A 63 3.099 -4.915 -9.735 1.00 0.00 H new ATOM 1068 N LEU A 64 2.208 -4.304 -6.040 1.00 0.00 N ATOM 1069 CA LEU A 64 0.953 -3.565 -5.892 1.00 0.00 C ATOM 1070 C LEU A 64 1.116 -2.572 -4.748 1.00 0.00 C ATOM 1071 O LEU A 64 0.752 -1.400 -4.877 1.00 0.00 O ATOM 1072 CB LEU A 64 -0.213 -4.510 -5.584 1.00 0.00 C ATOM 1073 CG LEU A 64 -1.553 -3.827 -5.269 1.00 0.00 C ATOM 1074 CD1 LEU A 64 -2.119 -3.080 -6.482 1.00 0.00 C ATOM 1075 CD2 LEU A 64 -2.522 -4.887 -4.782 1.00 0.00 C ATOM 0 H LEU A 64 2.152 -5.289 -5.782 1.00 0.00 H new ATOM 0 HA LEU A 64 0.730 -3.049 -6.826 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -0.355 -5.174 -6.437 1.00 0.00 H new ATOM 0 HB3 LEU A 64 0.064 -5.136 -4.736 1.00 0.00 H new ATOM 0 HG LEU A 64 -1.397 -3.075 -4.495 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -3.066 -2.613 -6.212 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -1.413 -2.312 -6.798 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -2.281 -3.783 -7.299 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -3.482 -4.424 -4.552 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -2.659 -5.639 -5.559 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -2.123 -5.360 -3.885 1.00 0.00 H new ATOM 1087 N ALA A 65 1.684 -3.022 -3.637 1.00 0.00 N ATOM 1088 CA ALA A 65 1.931 -2.107 -2.516 1.00 0.00 C ATOM 1089 C ALA A 65 2.871 -0.963 -2.960 1.00 0.00 C ATOM 1090 O ALA A 65 2.737 0.184 -2.543 1.00 0.00 O ATOM 1091 CB ALA A 65 2.523 -2.866 -1.355 1.00 0.00 C ATOM 0 H ALA A 65 1.978 -3.987 -3.483 1.00 0.00 H new ATOM 0 HA ALA A 65 0.986 -1.668 -2.197 1.00 0.00 H new ATOM 0 HB1 ALA A 65 2.704 -2.181 -0.527 1.00 0.00 H new ATOM 0 HB2 ALA A 65 1.829 -3.644 -1.037 1.00 0.00 H new ATOM 0 HB3 ALA A 65 3.465 -3.322 -1.661 1.00 0.00 H new ATOM 1097 N LYS A 66 3.815 -1.282 -3.832 1.00 0.00 N ATOM 1098 CA LYS A 66 4.733 -0.285 -4.388 1.00 0.00 C ATOM 1099 C LYS A 66 3.972 0.739 -5.231 1.00 0.00 C ATOM 1100 O LYS A 66 4.332 1.913 -5.247 1.00 0.00 O ATOM 1101 CB LYS A 66 5.791 -0.980 -5.247 1.00 0.00 C ATOM 1102 CG LYS A 66 6.947 -0.087 -5.686 1.00 0.00 C ATOM 1103 CD LYS A 66 7.718 -0.737 -6.829 1.00 0.00 C ATOM 1104 CE LYS A 66 6.990 -0.528 -8.165 1.00 0.00 C ATOM 1105 NZ LYS A 66 7.622 -1.316 -9.270 1.00 0.00 N ATOM 0 H LYS A 66 3.970 -2.230 -4.176 1.00 0.00 H new ATOM 0 HA LYS A 66 5.219 0.238 -3.564 1.00 0.00 H new ATOM 0 HB2 LYS A 66 6.195 -1.824 -4.688 1.00 0.00 H new ATOM 0 HB3 LYS A 66 5.308 -1.387 -6.135 1.00 0.00 H new ATOM 0 HG2 LYS A 66 6.565 0.884 -6.003 1.00 0.00 H new ATOM 0 HG3 LYS A 66 7.616 0.093 -4.844 1.00 0.00 H new ATOM 0 HD2 LYS A 66 8.720 -0.313 -6.885 1.00 0.00 H new ATOM 0 HD3 LYS A 66 7.834 -1.803 -6.636 1.00 0.00 H new ATOM 0 HE2 LYS A 66 5.946 -0.822 -8.060 1.00 0.00 H new ATOM 0 HE3 LYS A 66 6.999 0.531 -8.422 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 7.577 -0.771 -10.155 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 8.616 -1.510 -9.033 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 7.113 -2.215 -9.391 1.00 0.00 H new ATOM 1119 N GLN A 67 2.924 0.306 -5.920 1.00 0.00 N ATOM 1120 CA GLN A 67 2.096 1.223 -6.708 1.00 0.00 C ATOM 1121 C GLN A 67 1.393 2.165 -5.737 1.00 0.00 C ATOM 1122 O GLN A 67 1.427 3.381 -5.922 1.00 0.00 O ATOM 1123 CB GLN A 67 1.067 0.456 -7.552 1.00 0.00 C ATOM 1124 CG GLN A 67 0.224 1.343 -8.462 1.00 0.00 C ATOM 1125 CD GLN A 67 -0.826 0.552 -9.215 1.00 0.00 C ATOM 1126 OE1 GLN A 67 -0.519 -0.421 -9.886 1.00 0.00 O ATOM 1127 NE2 GLN A 67 -2.064 0.962 -9.105 1.00 0.00 N ATOM 0 H GLN A 67 2.625 -0.669 -5.952 1.00 0.00 H new ATOM 0 HA GLN A 67 2.723 1.785 -7.400 1.00 0.00 H new ATOM 0 HB2 GLN A 67 1.590 -0.280 -8.163 1.00 0.00 H new ATOM 0 HB3 GLN A 67 0.405 -0.096 -6.885 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -0.263 2.115 -7.866 1.00 0.00 H new ATOM 0 HG3 GLN A 67 0.873 1.852 -9.174 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -2.282 1.779 -8.535 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -2.811 0.464 -9.589 1.00 0.00 H new ATOM 1136 N GLU A 68 0.784 1.606 -4.697 1.00 0.00 N ATOM 1137 CA GLU A 68 0.165 2.412 -3.642 1.00 0.00 C ATOM 1138 C GLU A 68 1.192 3.400 -3.054 1.00 0.00 C ATOM 1139 O GLU A 68 0.935 4.603 -2.929 1.00 0.00 O ATOM 1140 CB GLU A 68 -0.346 1.479 -2.535 1.00 0.00 C ATOM 1141 CG GLU A 68 -1.263 2.138 -1.538 1.00 0.00 C ATOM 1142 CD GLU A 68 -1.476 1.283 -0.296 1.00 0.00 C ATOM 1143 OE1 GLU A 68 -1.805 1.859 0.763 1.00 0.00 O ATOM 1144 OE2 GLU A 68 -1.306 0.043 -0.370 1.00 0.00 O ATOM 0 H GLU A 68 0.704 0.599 -4.559 1.00 0.00 H new ATOM 0 HA GLU A 68 -0.665 2.980 -4.062 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -0.872 0.643 -2.996 1.00 0.00 H new ATOM 0 HB3 GLU A 68 0.510 1.064 -2.003 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -0.846 3.102 -1.246 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -2.226 2.337 -2.009 1.00 0.00 H new ATOM 1151 N ALA A 69 2.367 2.893 -2.712 1.00 0.00 N ATOM 1152 CA ALA A 69 3.422 3.728 -2.147 1.00 0.00 C ATOM 1153 C ALA A 69 3.831 4.874 -3.086 1.00 0.00 C ATOM 1154 O ALA A 69 4.114 5.974 -2.625 1.00 0.00 O ATOM 1155 CB ALA A 69 4.634 2.864 -1.795 1.00 0.00 C ATOM 0 H ALA A 69 2.616 1.909 -2.815 1.00 0.00 H new ATOM 0 HA ALA A 69 3.027 4.189 -1.242 1.00 0.00 H new ATOM 0 HB1 ALA A 69 5.419 3.492 -1.374 1.00 0.00 H new ATOM 0 HB2 ALA A 69 4.343 2.109 -1.065 1.00 0.00 H new ATOM 0 HB3 ALA A 69 5.006 2.374 -2.695 1.00 0.00 H new ATOM 1161 N GLN A 70 3.856 4.638 -4.393 1.00 0.00 N ATOM 1162 CA GLN A 70 4.198 5.704 -5.340 1.00 0.00 C ATOM 1163 C GLN A 70 3.149 6.801 -5.270 1.00 0.00 C ATOM 1164 O GLN A 70 3.475 7.985 -5.256 1.00 0.00 O ATOM 1165 CB GLN A 70 4.267 5.192 -6.783 1.00 0.00 C ATOM 1166 CG GLN A 70 5.519 5.647 -7.555 1.00 0.00 C ATOM 1167 CD GLN A 70 5.910 7.101 -7.292 1.00 0.00 C ATOM 1168 OE1 GLN A 70 6.862 7.354 -6.561 1.00 0.00 O ATOM 1169 NE2 GLN A 70 5.202 8.038 -7.879 1.00 0.00 N ATOM 0 H GLN A 70 3.648 3.735 -4.820 1.00 0.00 H new ATOM 0 HA GLN A 70 5.181 6.083 -5.061 1.00 0.00 H new ATOM 0 HB2 GLN A 70 4.237 4.102 -6.772 1.00 0.00 H new ATOM 0 HB3 GLN A 70 3.380 5.530 -7.319 1.00 0.00 H new ATOM 0 HG2 GLN A 70 6.355 5.001 -7.286 1.00 0.00 H new ATOM 0 HG3 GLN A 70 5.344 5.515 -8.623 1.00 0.00 H new ATOM 0 HE21 GLN A 70 4.418 7.784 -8.480 1.00 0.00 H new ATOM 0 HE22 GLN A 70 5.436 9.020 -7.735 1.00 0.00 H new ATOM 1178 N ARG A 71 1.889 6.397 -5.212 1.00 0.00 N ATOM 1179 CA ARG A 71 0.786 7.350 -5.132 1.00 0.00 C ATOM 1180 C ARG A 71 0.951 8.177 -3.862 1.00 0.00 C ATOM 1181 O ARG A 71 0.710 9.374 -3.864 1.00 0.00 O ATOM 1182 CB ARG A 71 -0.561 6.609 -5.125 1.00 0.00 C ATOM 1183 CG ARG A 71 -0.892 5.852 -6.419 1.00 0.00 C ATOM 1184 CD ARG A 71 -1.495 6.797 -7.423 1.00 0.00 C ATOM 1185 NE ARG A 71 -1.709 6.209 -8.753 1.00 0.00 N ATOM 1186 CZ ARG A 71 -0.888 6.327 -9.791 1.00 0.00 C ATOM 1187 NH1 ARG A 71 0.227 7.008 -9.746 1.00 0.00 N ATOM 1188 NH2 ARG A 71 -1.211 5.746 -10.910 1.00 0.00 N ATOM 0 H ARG A 71 1.602 5.418 -5.219 1.00 0.00 H new ATOM 0 HA ARG A 71 0.800 8.008 -6.001 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -0.565 5.901 -4.296 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -1.355 7.331 -4.931 1.00 0.00 H new ATOM 0 HG2 ARG A 71 0.012 5.400 -6.828 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -1.587 5.039 -6.208 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -2.450 7.156 -7.039 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -0.845 7.666 -7.523 1.00 0.00 H new ATOM 0 HE ARG A 71 -2.560 5.664 -8.891 1.00 0.00 H new ATOM 0 HH11 ARG A 71 0.502 7.480 -8.885 1.00 0.00 H new ATOM 0 HH12 ARG A 71 0.822 7.067 -10.572 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -2.079 5.214 -10.977 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -0.596 5.823 -11.720 1.00 0.00 H new ATOM 1202 N LEU A 72 1.386 7.546 -2.779 1.00 0.00 N ATOM 1203 CA LEU A 72 1.584 8.251 -1.516 1.00 0.00 C ATOM 1204 C LEU A 72 2.805 9.170 -1.566 1.00 0.00 C ATOM 1205 O LEU A 72 2.817 10.226 -0.939 1.00 0.00 O ATOM 1206 CB LEU A 72 1.640 7.240 -0.378 1.00 0.00 C ATOM 1207 CG LEU A 72 0.225 6.657 -0.182 1.00 0.00 C ATOM 1208 CD1 LEU A 72 0.269 5.235 0.279 1.00 0.00 C ATOM 1209 CD2 LEU A 72 -0.587 7.506 0.794 1.00 0.00 C ATOM 0 H LEU A 72 1.608 6.551 -2.748 1.00 0.00 H new ATOM 0 HA LEU A 72 0.737 8.912 -1.333 1.00 0.00 H new ATOM 0 HB2 LEU A 72 2.350 6.446 -0.610 1.00 0.00 H new ATOM 0 HB3 LEU A 72 1.985 7.718 0.539 1.00 0.00 H new ATOM 0 HG LEU A 72 -0.267 6.677 -1.154 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -0.747 4.862 0.405 1.00 0.00 H new ATOM 0 HD12 LEU A 72 0.789 4.628 -0.462 1.00 0.00 H new ATOM 0 HD13 LEU A 72 0.797 5.177 1.231 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -1.580 7.073 0.914 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -0.083 7.532 1.760 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -0.678 8.520 0.405 1.00 0.00 H new ATOM 1221 N LYS A 73 3.819 8.799 -2.338 1.00 0.00 N ATOM 1222 CA LYS A 73 4.984 9.675 -2.533 1.00 0.00 C ATOM 1223 C LYS A 73 4.592 10.887 -3.369 1.00 0.00 C ATOM 1224 O LYS A 73 4.999 12.010 -3.069 1.00 0.00 O ATOM 1225 CB LYS A 73 6.115 8.926 -3.236 1.00 0.00 C ATOM 1226 CG LYS A 73 6.758 7.881 -2.360 1.00 0.00 C ATOM 1227 CD LYS A 73 7.555 6.893 -3.174 1.00 0.00 C ATOM 1228 CE LYS A 73 7.988 5.731 -2.303 1.00 0.00 C ATOM 1229 NZ LYS A 73 8.695 4.696 -3.115 1.00 0.00 N ATOM 0 H LYS A 73 3.866 7.910 -2.837 1.00 0.00 H new ATOM 0 HA LYS A 73 5.330 10.000 -1.552 1.00 0.00 H new ATOM 0 HB2 LYS A 73 5.725 8.449 -4.135 1.00 0.00 H new ATOM 0 HB3 LYS A 73 6.873 9.640 -3.557 1.00 0.00 H new ATOM 0 HG2 LYS A 73 7.410 8.365 -1.633 1.00 0.00 H new ATOM 0 HG3 LYS A 73 5.989 7.353 -1.797 1.00 0.00 H new ATOM 0 HD2 LYS A 73 6.955 6.529 -4.008 1.00 0.00 H new ATOM 0 HD3 LYS A 73 8.430 7.383 -3.601 1.00 0.00 H new ATOM 0 HE2 LYS A 73 8.645 6.089 -1.510 1.00 0.00 H new ATOM 0 HE3 LYS A 73 7.117 5.288 -1.820 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 8.983 3.909 -2.499 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 8.057 4.341 -3.856 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 9.538 5.117 -3.556 1.00 0.00 H new ATOM 1243 N GLU A 74 3.799 10.664 -4.406 1.00 0.00 N ATOM 1244 CA GLU A 74 3.354 11.762 -5.267 1.00 0.00 C ATOM 1245 C GLU A 74 2.500 12.737 -4.450 1.00 0.00 C ATOM 1246 O GLU A 74 2.626 13.957 -4.575 1.00 0.00 O ATOM 1247 CB GLU A 74 2.561 11.206 -6.452 1.00 0.00 C ATOM 1248 CG GLU A 74 2.534 12.131 -7.667 1.00 0.00 C ATOM 1249 CD GLU A 74 3.890 12.226 -8.371 1.00 0.00 C ATOM 1250 OE1 GLU A 74 4.222 13.332 -8.864 1.00 0.00 O ATOM 1251 OE2 GLU A 74 4.631 11.206 -8.425 1.00 0.00 O ATOM 0 H GLU A 74 3.450 9.744 -4.675 1.00 0.00 H new ATOM 0 HA GLU A 74 4.220 12.297 -5.656 1.00 0.00 H new ATOM 0 HB2 GLU A 74 2.990 10.248 -6.746 1.00 0.00 H new ATOM 0 HB3 GLU A 74 1.537 11.012 -6.132 1.00 0.00 H new ATOM 0 HG2 GLU A 74 1.787 11.772 -8.375 1.00 0.00 H new ATOM 0 HG3 GLU A 74 2.222 13.127 -7.353 1.00 0.00 H new ATOM 1258 N LEU A 75 1.650 12.187 -3.590 1.00 0.00 N ATOM 1259 CA LEU A 75 0.827 12.991 -2.684 1.00 0.00 C ATOM 1260 C LEU A 75 1.711 13.806 -1.748 1.00 0.00 C ATOM 1261 O LEU A 75 1.485 15.008 -1.550 1.00 0.00 O ATOM 1262 CB LEU A 75 -0.057 12.074 -1.833 1.00 0.00 C ATOM 1263 CG LEU A 75 -1.363 11.591 -2.464 1.00 0.00 C ATOM 1264 CD1 LEU A 75 -1.827 10.317 -1.781 1.00 0.00 C ATOM 1265 CD2 LEU A 75 -2.430 12.655 -2.328 1.00 0.00 C ATOM 0 H LEU A 75 1.510 11.181 -3.499 1.00 0.00 H new ATOM 0 HA LEU A 75 0.211 13.659 -3.285 1.00 0.00 H new ATOM 0 HB2 LEU A 75 0.530 11.198 -1.556 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -0.301 12.599 -0.909 1.00 0.00 H new ATOM 0 HG LEU A 75 -1.189 11.391 -3.521 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -2.758 9.979 -2.236 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -1.066 9.545 -1.895 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -1.991 10.511 -0.721 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -3.356 12.301 -2.781 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -2.600 12.867 -1.272 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -2.104 13.564 -2.833 1.00 0.00 H new ATOM 1277 N ARG A 76 2.720 13.144 -1.187 1.00 0.00 N ATOM 1278 CA ARG A 76 3.655 13.770 -0.244 1.00 0.00 C ATOM 1279 C ARG A 76 4.326 14.984 -0.869 1.00 0.00 C ATOM 1280 O ARG A 76 4.479 16.015 -0.206 1.00 0.00 O ATOM 1281 CB ARG A 76 4.677 12.703 0.227 1.00 0.00 C ATOM 1282 CG ARG A 76 6.159 13.126 0.400 1.00 0.00 C ATOM 1283 CD ARG A 76 6.402 13.935 1.668 1.00 0.00 C ATOM 1284 NE ARG A 76 6.626 15.349 1.344 1.00 0.00 N ATOM 1285 CZ ARG A 76 7.801 15.926 1.134 1.00 0.00 C ATOM 1286 NH1 ARG A 76 8.934 15.276 1.227 1.00 0.00 N ATOM 1287 NH2 ARG A 76 7.828 17.187 0.811 1.00 0.00 N ATOM 0 H ARG A 76 2.916 12.160 -1.370 1.00 0.00 H new ATOM 0 HA ARG A 76 3.116 14.139 0.629 1.00 0.00 H new ATOM 0 HB2 ARG A 76 4.330 12.310 1.183 1.00 0.00 H new ATOM 0 HB3 ARG A 76 4.648 11.879 -0.485 1.00 0.00 H new ATOM 0 HG2 ARG A 76 6.786 12.235 0.418 1.00 0.00 H new ATOM 0 HG3 ARG A 76 6.467 13.714 -0.465 1.00 0.00 H new ATOM 0 HD2 ARG A 76 5.546 13.841 2.336 1.00 0.00 H new ATOM 0 HD3 ARG A 76 7.266 13.537 2.200 1.00 0.00 H new ATOM 0 HE ARG A 76 5.800 15.943 1.274 1.00 0.00 H new ATOM 0 HH11 ARG A 76 8.935 14.285 1.470 1.00 0.00 H new ATOM 0 HH12 ARG A 76 9.815 15.760 1.057 1.00 0.00 H new ATOM 0 HH21 ARG A 76 6.957 17.710 0.724 1.00 0.00 H new ATOM 0 HH22 ARG A 76 8.721 17.652 0.645 1.00 0.00 H new ATOM 1301 N GLU A 77 4.717 14.886 -2.130 1.00 0.00 N ATOM 1302 CA GLU A 77 5.392 16.003 -2.796 1.00 0.00 C ATOM 1303 C GLU A 77 4.444 17.171 -3.088 1.00 0.00 C ATOM 1304 O GLU A 77 4.878 18.241 -3.527 1.00 0.00 O ATOM 1305 CB GLU A 77 6.095 15.529 -4.070 1.00 0.00 C ATOM 1306 CG GLU A 77 7.343 14.692 -3.769 1.00 0.00 C ATOM 1307 CD GLU A 77 8.339 15.437 -2.874 1.00 0.00 C ATOM 1308 OE1 GLU A 77 8.628 14.945 -1.758 1.00 0.00 O ATOM 1309 OE2 GLU A 77 8.826 16.519 -3.275 1.00 0.00 O ATOM 0 H GLU A 77 4.584 14.059 -2.711 1.00 0.00 H new ATOM 0 HA GLU A 77 6.146 16.380 -2.105 1.00 0.00 H new ATOM 0 HB2 GLU A 77 5.400 14.939 -4.668 1.00 0.00 H new ATOM 0 HB3 GLU A 77 6.377 16.394 -4.670 1.00 0.00 H new ATOM 0 HG2 GLU A 77 7.046 13.762 -3.284 1.00 0.00 H new ATOM 0 HG3 GLU A 77 7.831 14.421 -4.705 1.00 0.00 H new ATOM 1316 N GLY A 78 3.160 16.987 -2.811 1.00 0.00 N ATOM 1317 CA GLY A 78 2.208 18.078 -2.911 1.00 0.00 C ATOM 1318 C GLY A 78 2.339 18.988 -1.696 1.00 0.00 C ATOM 1319 O GLY A 78 3.349 18.984 -0.993 1.00 0.00 O ATOM 0 H GLY A 78 2.758 16.097 -2.517 1.00 0.00 H new ATOM 0 HA2 GLY A 78 2.386 18.646 -3.824 1.00 0.00 H new ATOM 0 HA3 GLY A 78 1.194 17.684 -2.974 1.00 0.00 H new ATOM 1323 N THR A 79 1.315 19.780 -1.427 1.00 0.00 N ATOM 1324 CA THR A 79 1.310 20.673 -0.267 1.00 0.00 C ATOM 1325 C THR A 79 -0.163 20.907 0.046 1.00 0.00 C ATOM 1326 O THR A 79 -1.000 20.158 -0.438 1.00 0.00 O ATOM 1327 CB THR A 79 2.129 21.989 -0.535 1.00 0.00 C ATOM 1328 OG1 THR A 79 2.250 22.742 0.674 1.00 0.00 O ATOM 1329 CG2 THR A 79 1.498 22.871 -1.582 1.00 0.00 C ATOM 0 H THR A 79 0.470 19.827 -1.996 1.00 0.00 H new ATOM 0 HA THR A 79 1.815 20.240 0.597 1.00 0.00 H new ATOM 0 HB THR A 79 3.106 21.674 -0.903 1.00 0.00 H new ATOM 0 HG1 THR A 79 2.891 23.472 0.542 1.00 0.00 H new ATOM 0 HG21 THR A 79 2.109 23.763 -1.723 1.00 0.00 H new ATOM 0 HG22 THR A 79 1.429 22.326 -2.523 1.00 0.00 H new ATOM 0 HG23 THR A 79 0.499 23.163 -1.258 1.00 0.00 H new ATOM 1337 N GLU A 80 -0.494 21.928 0.828 1.00 0.00 N ATOM 1338 CA GLU A 80 -1.890 22.216 1.197 1.00 0.00 C ATOM 1339 C GLU A 80 -2.785 22.628 0.016 1.00 0.00 C ATOM 1340 O GLU A 80 -3.967 22.914 0.184 1.00 0.00 O ATOM 1341 CB GLU A 80 -1.920 23.295 2.282 1.00 0.00 C ATOM 1342 CG GLU A 80 -1.559 24.710 1.835 1.00 0.00 C ATOM 1343 CD GLU A 80 -1.608 25.703 3.004 1.00 0.00 C ATOM 1344 OE1 GLU A 80 -2.171 26.809 2.844 1.00 0.00 O ATOM 1345 OE2 GLU A 80 -1.091 25.380 4.100 1.00 0.00 O ATOM 0 H GLU A 80 0.184 22.578 1.225 1.00 0.00 H new ATOM 0 HA GLU A 80 -2.307 21.280 1.570 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -2.920 23.317 2.716 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -1.234 23.001 3.077 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -0.560 24.710 1.399 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -2.248 25.032 1.054 1.00 0.00 H new ATOM 1352 N ASN A 81 -2.213 22.642 -1.176 1.00 0.00 N ATOM 1353 CA ASN A 81 -2.927 22.928 -2.407 1.00 0.00 C ATOM 1354 C ASN A 81 -2.208 22.122 -3.474 1.00 0.00 C ATOM 1355 O ASN A 81 -1.098 21.639 -3.243 1.00 0.00 O ATOM 1356 CB ASN A 81 -2.875 24.421 -2.748 1.00 0.00 C ATOM 1357 CG ASN A 81 -1.475 24.896 -3.031 1.00 0.00 C ATOM 1358 OD1 ASN A 81 -0.950 24.714 -4.120 1.00 0.00 O ATOM 1359 ND2 ASN A 81 -0.869 25.518 -2.059 1.00 0.00 N ATOM 0 H ASN A 81 -1.221 22.451 -1.317 1.00 0.00 H new ATOM 0 HA ASN A 81 -3.982 22.668 -2.325 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -3.504 24.615 -3.617 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -3.290 24.995 -1.919 1.00 0.00 H new ATOM 0 HD21 ASN A 81 0.078 25.873 -2.193 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -1.342 25.650 -1.165 1.00 0.00 H new ATOM 1366 N GLU A 82 -2.822 21.983 -4.637 1.00 0.00 N ATOM 1367 CA GLU A 82 -2.212 21.248 -5.743 1.00 0.00 C ATOM 1368 C GLU A 82 -1.241 22.152 -6.527 1.00 0.00 C ATOM 1369 O GLU A 82 -1.481 22.565 -7.672 1.00 0.00 O ATOM 1370 CB GLU A 82 -3.305 20.624 -6.605 1.00 0.00 C ATOM 1371 CG GLU A 82 -3.997 19.470 -5.846 1.00 0.00 C ATOM 1372 CD GLU A 82 -5.019 18.723 -6.680 1.00 0.00 C ATOM 1373 OE1 GLU A 82 -4.937 17.480 -6.793 1.00 0.00 O ATOM 1374 OE2 GLU A 82 -5.924 19.396 -7.220 1.00 0.00 O ATOM 0 H GLU A 82 -3.743 22.368 -4.844 1.00 0.00 H new ATOM 0 HA GLU A 82 -1.605 20.428 -5.361 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -4.040 21.382 -6.876 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -2.875 20.250 -7.534 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -3.239 18.767 -5.500 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -4.487 19.872 -4.959 1.00 0.00 H new ATOM 1381 N ARG A 83 -0.138 22.443 -5.847 1.00 0.00 N ATOM 1382 CA ARG A 83 0.989 23.239 -6.348 1.00 0.00 C ATOM 1383 C ARG A 83 1.603 22.598 -7.600 1.00 0.00 C ATOM 1384 O ARG A 83 1.326 21.448 -7.908 1.00 0.00 O ATOM 1385 CB ARG A 83 2.018 23.298 -5.209 1.00 0.00 C ATOM 1386 CG ARG A 83 3.155 24.315 -5.341 1.00 0.00 C ATOM 1387 CD ARG A 83 4.521 23.621 -5.335 1.00 0.00 C ATOM 1388 NE ARG A 83 4.806 22.956 -4.053 1.00 0.00 N ATOM 1389 CZ ARG A 83 4.857 21.640 -3.850 1.00 0.00 C ATOM 1390 NH1 ARG A 83 4.643 20.767 -4.800 1.00 0.00 N ATOM 1391 NH2 ARG A 83 5.120 21.188 -2.660 1.00 0.00 N ATOM 0 H ARG A 83 0.007 22.120 -4.891 1.00 0.00 H new ATOM 0 HA ARG A 83 0.662 24.238 -6.637 1.00 0.00 H new ATOM 0 HB2 ARG A 83 1.484 23.508 -4.282 1.00 0.00 H new ATOM 0 HB3 ARG A 83 2.462 22.308 -5.104 1.00 0.00 H new ATOM 0 HG2 ARG A 83 3.035 24.881 -6.265 1.00 0.00 H new ATOM 0 HG3 ARG A 83 3.104 25.031 -4.520 1.00 0.00 H new ATOM 0 HD2 ARG A 83 4.555 22.885 -6.139 1.00 0.00 H new ATOM 0 HD3 ARG A 83 5.300 24.355 -5.542 1.00 0.00 H new ATOM 0 HE ARG A 83 4.980 23.557 -3.247 1.00 0.00 H new ATOM 0 HH11 ARG A 83 4.426 21.084 -5.745 1.00 0.00 H new ATOM 0 HH12 ARG A 83 4.693 19.769 -4.596 1.00 0.00 H new ATOM 0 HH21 ARG A 83 5.285 21.839 -1.892 1.00 0.00 H new ATOM 0 HH22 ARG A 83 5.161 20.182 -2.494 1.00 0.00 H new ATOM 1405 N SER A 84 2.426 23.362 -8.317 1.00 0.00 N ATOM 1406 CA SER A 84 3.103 22.908 -9.549 1.00 0.00 C ATOM 1407 C SER A 84 2.140 22.315 -10.573 1.00 0.00 C ATOM 1408 O SER A 84 2.525 21.481 -11.383 1.00 0.00 O ATOM 1409 CB SER A 84 4.192 21.878 -9.222 1.00 0.00 C ATOM 1410 OG SER A 84 5.155 22.432 -8.345 1.00 0.00 O ATOM 0 H SER A 84 2.649 24.324 -8.063 1.00 0.00 H new ATOM 0 HA SER A 84 3.551 23.797 -9.993 1.00 0.00 H new ATOM 0 HB2 SER A 84 3.741 20.997 -8.766 1.00 0.00 H new ATOM 0 HB3 SER A 84 4.676 21.549 -10.141 1.00 0.00 H new ATOM 0 HG SER A 84 5.841 21.761 -8.146 1.00 0.00 H new ATOM 1416 N ARG A 85 0.885 22.754 -10.511 1.00 0.00 N ATOM 1417 CA ARG A 85 -0.183 22.262 -11.385 1.00 0.00 C ATOM 1418 C ARG A 85 -0.336 20.739 -11.250 1.00 0.00 C ATOM 1419 O ARG A 85 -0.736 20.065 -12.199 1.00 0.00 O ATOM 1420 CB ARG A 85 0.078 22.678 -12.846 1.00 0.00 C ATOM 1421 CG ARG A 85 -1.179 22.762 -13.718 1.00 0.00 C ATOM 1422 CD ARG A 85 -0.802 23.007 -15.170 1.00 0.00 C ATOM 1423 NE ARG A 85 -1.991 23.068 -16.039 1.00 0.00 N ATOM 1424 CZ ARG A 85 -1.968 23.216 -17.359 1.00 0.00 C ATOM 1425 NH1 ARG A 85 -0.849 23.327 -18.031 1.00 0.00 N ATOM 1426 NH2 ARG A 85 -3.094 23.254 -18.015 1.00 0.00 N ATOM 0 H ARG A 85 0.576 23.466 -9.849 1.00 0.00 H new ATOM 0 HA ARG A 85 -1.124 22.716 -11.075 1.00 0.00 H new ATOM 0 HB2 ARG A 85 0.573 23.649 -12.851 1.00 0.00 H new ATOM 0 HB3 ARG A 85 0.769 21.965 -13.295 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -1.749 21.837 -13.635 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -1.823 23.566 -13.362 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -0.245 23.941 -15.249 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -0.141 22.212 -15.513 1.00 0.00 H new ATOM 0 HE ARG A 85 -2.904 22.990 -15.591 1.00 0.00 H new ATOM 0 HH11 ARG A 85 0.045 23.301 -17.541 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -0.872 23.439 -19.045 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -3.979 23.171 -17.515 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -3.090 23.367 -19.029 1.00 0.00 H new ATOM 1440 N GLN A 86 -0.045 20.202 -10.068 1.00 0.00 N ATOM 1441 CA GLN A 86 -0.239 18.772 -9.792 1.00 0.00 C ATOM 1442 C GLN A 86 -1.719 18.572 -9.473 1.00 0.00 C ATOM 1443 O GLN A 86 -2.081 18.107 -8.406 1.00 0.00 O ATOM 1444 CB GLN A 86 0.623 18.311 -8.606 1.00 0.00 C ATOM 1445 CG GLN A 86 2.122 18.302 -8.889 1.00 0.00 C ATOM 1446 CD GLN A 86 2.944 18.131 -7.623 1.00 0.00 C ATOM 1447 OE1 GLN A 86 3.329 19.108 -6.989 1.00 0.00 O ATOM 1448 NE2 GLN A 86 3.217 16.905 -7.255 1.00 0.00 N ATOM 0 H GLN A 86 0.327 20.733 -9.281 1.00 0.00 H new ATOM 0 HA GLN A 86 0.062 18.180 -10.657 1.00 0.00 H new ATOM 0 HB2 GLN A 86 0.429 18.964 -7.755 1.00 0.00 H new ATOM 0 HB3 GLN A 86 0.314 17.307 -8.315 1.00 0.00 H new ATOM 0 HG2 GLN A 86 2.354 17.494 -9.583 1.00 0.00 H new ATOM 0 HG3 GLN A 86 2.403 19.234 -9.380 1.00 0.00 H new ATOM 0 HE21 GLN A 86 2.878 16.119 -7.809 1.00 0.00 H new ATOM 0 HE22 GLN A 86 3.768 16.736 -6.414 1.00 0.00 H new ATOM 1457 N LYS A 87 -2.567 18.951 -10.422 1.00 0.00 N ATOM 1458 CA LYS A 87 -4.030 18.923 -10.288 1.00 0.00 C ATOM 1459 C LYS A 87 -4.617 17.511 -10.376 1.00 0.00 C ATOM 1460 O LYS A 87 -5.760 17.316 -10.773 1.00 0.00 O ATOM 1461 CB LYS A 87 -4.632 19.847 -11.367 1.00 0.00 C ATOM 1462 CG LYS A 87 -5.203 21.139 -10.795 1.00 0.00 C ATOM 1463 CD LYS A 87 -6.533 20.878 -10.096 1.00 0.00 C ATOM 1464 CE LYS A 87 -6.807 21.905 -9.010 1.00 0.00 C ATOM 1465 NZ LYS A 87 -7.767 21.319 -8.018 1.00 0.00 N ATOM 0 H LYS A 87 -2.255 19.296 -11.330 1.00 0.00 H new ATOM 0 HA LYS A 87 -4.291 19.280 -9.292 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -3.862 20.090 -12.100 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -5.420 19.312 -11.897 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -4.495 21.574 -10.090 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -5.344 21.866 -11.595 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -7.340 20.899 -10.829 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -6.525 19.879 -9.659 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -5.878 22.186 -8.514 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -7.223 22.813 -9.446 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -8.040 22.047 -7.327 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -8.615 20.978 -8.515 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -7.313 20.525 -7.523 1.00 0.00 H new ATOM 1479 N TYR A 88 -3.800 16.546 -10.007 1.00 0.00 N ATOM 1480 CA TYR A 88 -4.155 15.141 -10.014 1.00 0.00 C ATOM 1481 C TYR A 88 -3.654 14.515 -8.715 1.00 0.00 C ATOM 1482 O TYR A 88 -3.736 13.319 -8.537 1.00 0.00 O ATOM 1483 CB TYR A 88 -3.489 14.447 -11.210 1.00 0.00 C ATOM 1484 CG TYR A 88 -1.971 14.403 -11.109 1.00 0.00 C ATOM 1485 CD1 TYR A 88 -1.172 15.492 -11.530 1.00 0.00 C ATOM 1486 CD2 TYR A 88 -1.324 13.265 -10.584 1.00 0.00 C ATOM 1487 CE1 TYR A 88 0.250 15.442 -11.407 1.00 0.00 C ATOM 1488 CE2 TYR A 88 0.085 13.215 -10.462 1.00 0.00 C ATOM 1489 CZ TYR A 88 0.859 14.300 -10.866 1.00 0.00 C ATOM 1490 OH TYR A 88 2.220 14.223 -10.723 1.00 0.00 O ATOM 0 H TYR A 88 -2.848 16.721 -9.686 1.00 0.00 H new ATOM 0 HA TYR A 88 -5.236 15.026 -10.096 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -3.871 13.429 -11.290 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -3.771 14.966 -12.126 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -1.642 16.370 -11.948 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -1.914 12.417 -10.270 1.00 0.00 H new ATOM 0 HE1 TYR A 88 0.853 16.278 -11.729 1.00 0.00 H new ATOM 0 HE2 TYR A 88 0.560 12.335 -10.055 1.00 0.00 H new ATOM 0 HH TYR A 88 2.436 13.874 -9.833 1.00 0.00 H new ATOM 1500 N ALA A 89 -3.117 15.324 -7.810 1.00 0.00 N ATOM 1501 CA ALA A 89 -2.521 14.786 -6.596 1.00 0.00 C ATOM 1502 C ALA A 89 -3.564 14.079 -5.735 1.00 0.00 C ATOM 1503 O ALA A 89 -3.352 12.966 -5.305 1.00 0.00 O ATOM 1504 CB ALA A 89 -1.831 15.898 -5.799 1.00 0.00 C ATOM 0 H ALA A 89 -3.082 16.340 -7.892 1.00 0.00 H new ATOM 0 HA ALA A 89 -1.772 14.049 -6.888 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -1.391 15.478 -4.895 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -1.048 16.350 -6.408 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -2.563 16.659 -5.527 1.00 0.00 H new ATOM 1510 N GLU A 90 -4.701 14.704 -5.482 1.00 0.00 N ATOM 1511 CA GLU A 90 -5.698 14.046 -4.628 1.00 0.00 C ATOM 1512 C GLU A 90 -6.371 12.882 -5.385 1.00 0.00 C ATOM 1513 O GLU A 90 -6.950 11.980 -4.785 1.00 0.00 O ATOM 1514 CB GLU A 90 -6.702 15.059 -4.079 1.00 0.00 C ATOM 1515 CG GLU A 90 -6.042 16.137 -3.175 1.00 0.00 C ATOM 1516 CD GLU A 90 -5.345 15.558 -1.923 1.00 0.00 C ATOM 1517 OE1 GLU A 90 -6.050 15.170 -0.960 1.00 0.00 O ATOM 1518 OE2 GLU A 90 -4.088 15.512 -1.890 1.00 0.00 O ATOM 0 H GLU A 90 -4.959 15.626 -5.834 1.00 0.00 H new ATOM 0 HA GLU A 90 -5.195 13.613 -3.763 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -7.207 15.550 -4.911 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -7.467 14.532 -3.508 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -5.311 16.693 -3.762 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -6.804 16.849 -2.859 1.00 0.00 H new ATOM 1525 N GLU A 91 -6.247 12.882 -6.705 1.00 0.00 N ATOM 1526 CA GLU A 91 -6.715 11.757 -7.520 1.00 0.00 C ATOM 1527 C GLU A 91 -5.760 10.576 -7.260 1.00 0.00 C ATOM 1528 O GLU A 91 -6.171 9.415 -7.301 1.00 0.00 O ATOM 1529 CB GLU A 91 -6.764 12.163 -9.009 1.00 0.00 C ATOM 1530 CG GLU A 91 -6.721 11.019 -10.031 1.00 0.00 C ATOM 1531 CD GLU A 91 -7.968 10.147 -10.025 1.00 0.00 C ATOM 1532 OE1 GLU A 91 -9.059 10.639 -9.658 1.00 0.00 O ATOM 1533 OE2 GLU A 91 -7.852 8.961 -10.408 1.00 0.00 O ATOM 0 H GLU A 91 -5.828 13.644 -7.238 1.00 0.00 H new ATOM 0 HA GLU A 91 -7.730 11.462 -7.252 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -7.676 12.737 -9.177 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -5.926 12.831 -9.209 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -6.587 11.439 -11.028 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -5.851 10.395 -9.828 1.00 0.00 H new ATOM 1540 N GLU A 92 -4.496 10.857 -6.949 1.00 0.00 N ATOM 1541 CA GLU A 92 -3.564 9.777 -6.608 1.00 0.00 C ATOM 1542 C GLU A 92 -4.088 9.108 -5.336 1.00 0.00 C ATOM 1543 O GLU A 92 -3.938 7.911 -5.160 1.00 0.00 O ATOM 1544 CB GLU A 92 -2.122 10.276 -6.370 1.00 0.00 C ATOM 1545 CG GLU A 92 -1.444 10.945 -7.571 1.00 0.00 C ATOM 1546 CD GLU A 92 -0.810 9.947 -8.528 1.00 0.00 C ATOM 1547 OE1 GLU A 92 -1.423 9.640 -9.573 1.00 0.00 O ATOM 1548 OE2 GLU A 92 0.305 9.451 -8.234 1.00 0.00 O ATOM 0 H GLU A 92 -4.098 11.796 -6.925 1.00 0.00 H new ATOM 0 HA GLU A 92 -3.515 9.084 -7.448 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -2.134 10.985 -5.542 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -1.511 9.429 -6.056 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -2.180 11.541 -8.111 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -0.678 11.633 -7.212 1.00 0.00 H new ATOM 1555 N LEU A 93 -4.722 9.883 -4.459 1.00 0.00 N ATOM 1556 CA LEU A 93 -5.305 9.347 -3.220 1.00 0.00 C ATOM 1557 C LEU A 93 -6.489 8.442 -3.548 1.00 0.00 C ATOM 1558 O LEU A 93 -6.662 7.377 -2.946 1.00 0.00 O ATOM 1559 CB LEU A 93 -5.770 10.491 -2.304 1.00 0.00 C ATOM 1560 CG LEU A 93 -5.546 10.317 -0.792 1.00 0.00 C ATOM 1561 CD1 LEU A 93 -5.891 11.629 -0.083 1.00 0.00 C ATOM 1562 CD2 LEU A 93 -6.381 9.180 -0.199 1.00 0.00 C ATOM 0 H LEU A 93 -4.848 10.888 -4.579 1.00 0.00 H new ATOM 0 HA LEU A 93 -4.540 8.769 -2.702 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -5.262 11.403 -2.618 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -6.836 10.646 -2.472 1.00 0.00 H new ATOM 0 HG LEU A 93 -4.498 10.057 -0.641 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -5.735 11.515 0.990 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -5.250 12.426 -0.460 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -6.934 11.882 -0.273 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -6.183 9.103 0.870 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -7.440 9.385 -0.358 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -6.116 8.242 -0.686 1.00 0.00 H new ATOM 1574 N GLU A 94 -7.301 8.835 -4.514 1.00 0.00 N ATOM 1575 CA GLU A 94 -8.418 7.982 -4.919 1.00 0.00 C ATOM 1576 C GLU A 94 -7.856 6.669 -5.474 1.00 0.00 C ATOM 1577 O GLU A 94 -8.420 5.595 -5.268 1.00 0.00 O ATOM 1578 CB GLU A 94 -9.317 8.676 -5.947 1.00 0.00 C ATOM 1579 CG GLU A 94 -9.979 9.957 -5.419 1.00 0.00 C ATOM 1580 CD GLU A 94 -10.711 9.739 -4.095 1.00 0.00 C ATOM 1581 OE1 GLU A 94 -11.452 8.741 -3.957 1.00 0.00 O ATOM 1582 OE2 GLU A 94 -10.538 10.563 -3.169 1.00 0.00 O ATOM 0 H GLU A 94 -7.218 9.714 -5.024 1.00 0.00 H new ATOM 0 HA GLU A 94 -9.043 7.776 -4.050 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -8.725 8.920 -6.829 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -10.093 7.981 -6.266 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -9.218 10.726 -5.287 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -10.684 10.330 -6.162 1.00 0.00 H new ATOM 1589 N GLN A 95 -6.719 6.740 -6.146 1.00 0.00 N ATOM 1590 CA GLN A 95 -6.061 5.531 -6.633 1.00 0.00 C ATOM 1591 C GLN A 95 -5.320 4.764 -5.520 1.00 0.00 C ATOM 1592 O GLN A 95 -5.035 3.585 -5.682 1.00 0.00 O ATOM 1593 CB GLN A 95 -5.139 5.861 -7.795 1.00 0.00 C ATOM 1594 CG GLN A 95 -5.921 6.270 -9.039 1.00 0.00 C ATOM 1595 CD GLN A 95 -5.035 6.515 -10.230 1.00 0.00 C ATOM 1596 OE1 GLN A 95 -4.073 5.783 -10.470 1.00 0.00 O ATOM 1597 NE2 GLN A 95 -5.340 7.534 -10.980 1.00 0.00 N ATOM 0 H GLN A 95 -6.234 7.610 -6.367 1.00 0.00 H new ATOM 0 HA GLN A 95 -6.842 4.859 -6.990 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -4.466 6.668 -7.507 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -4.518 4.995 -8.024 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -6.642 5.489 -9.282 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -6.491 7.174 -8.824 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -6.145 8.116 -10.747 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -4.774 7.751 -11.801 1.00 0.00 H new ATOM 1606 N VAL A 96 -5.045 5.395 -4.383 1.00 0.00 N ATOM 1607 CA VAL A 96 -4.533 4.665 -3.208 1.00 0.00 C ATOM 1608 C VAL A 96 -5.701 3.808 -2.746 1.00 0.00 C ATOM 1609 O VAL A 96 -5.535 2.623 -2.418 1.00 0.00 O ATOM 1610 CB VAL A 96 -4.085 5.611 -2.024 1.00 0.00 C ATOM 1611 CG1 VAL A 96 -3.882 4.831 -0.714 1.00 0.00 C ATOM 1612 CG2 VAL A 96 -2.805 6.334 -2.373 1.00 0.00 C ATOM 0 H VAL A 96 -5.163 6.398 -4.242 1.00 0.00 H new ATOM 0 HA VAL A 96 -3.643 4.098 -3.482 1.00 0.00 H new ATOM 0 HB VAL A 96 -4.887 6.334 -1.876 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -3.575 5.518 0.075 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -4.817 4.347 -0.430 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -3.111 4.074 -0.857 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -2.514 6.980 -1.544 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -2.015 5.606 -2.560 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -2.961 6.938 -3.267 1.00 0.00 H new ATOM 1622 N ARG A 97 -6.900 4.391 -2.742 1.00 0.00 N ATOM 1623 CA ARG A 97 -8.085 3.620 -2.351 1.00 0.00 C ATOM 1624 C ARG A 97 -8.259 2.455 -3.309 1.00 0.00 C ATOM 1625 O ARG A 97 -8.605 1.367 -2.884 1.00 0.00 O ATOM 1626 CB ARG A 97 -9.370 4.458 -2.339 1.00 0.00 C ATOM 1627 CG ARG A 97 -9.295 5.720 -1.510 1.00 0.00 C ATOM 1628 CD ARG A 97 -10.668 6.366 -1.395 1.00 0.00 C ATOM 1629 NE ARG A 97 -10.577 7.834 -1.388 1.00 0.00 N ATOM 1630 CZ ARG A 97 -10.260 8.589 -0.345 1.00 0.00 C ATOM 1631 NH1 ARG A 97 -9.992 8.085 0.837 1.00 0.00 N ATOM 1632 NH2 ARG A 97 -10.209 9.879 -0.495 1.00 0.00 N ATOM 0 H ARG A 97 -7.077 5.363 -2.996 1.00 0.00 H new ATOM 0 HA ARG A 97 -7.920 3.271 -1.332 1.00 0.00 H new ATOM 0 HB2 ARG A 97 -9.621 4.728 -3.365 1.00 0.00 H new ATOM 0 HB3 ARG A 97 -10.186 3.841 -1.963 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -8.912 5.487 -0.516 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -8.594 6.420 -1.965 1.00 0.00 H new ATOM 0 HD2 ARG A 97 -11.293 6.044 -2.228 1.00 0.00 H new ATOM 0 HD3 ARG A 97 -11.155 6.027 -0.481 1.00 0.00 H new ATOM 0 HE ARG A 97 -10.776 8.315 -2.265 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -10.023 7.076 0.980 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -9.752 8.703 1.612 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -10.411 10.295 -1.404 1.00 0.00 H new ATOM 0 HH22 ARG A 97 -9.967 10.475 0.296 1.00 0.00 H new ATOM 1646 N GLU A 98 -8.013 2.665 -4.595 1.00 0.00 N ATOM 1647 CA GLU A 98 -8.114 1.566 -5.559 1.00 0.00 C ATOM 1648 C GLU A 98 -7.038 0.509 -5.302 1.00 0.00 C ATOM 1649 O GLU A 98 -7.333 -0.679 -5.318 1.00 0.00 O ATOM 1650 CB GLU A 98 -8.008 2.059 -7.006 1.00 0.00 C ATOM 1651 CG GLU A 98 -8.305 0.940 -8.012 1.00 0.00 C ATOM 1652 CD GLU A 98 -8.175 1.379 -9.458 1.00 0.00 C ATOM 1653 OE1 GLU A 98 -9.179 1.275 -10.197 1.00 0.00 O ATOM 1654 OE2 GLU A 98 -7.074 1.808 -9.861 1.00 0.00 O ATOM 0 H GLU A 98 -7.747 3.565 -4.994 1.00 0.00 H new ATOM 0 HA GLU A 98 -9.099 1.120 -5.420 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -8.705 2.882 -7.162 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -7.007 2.451 -7.184 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -7.624 0.108 -7.830 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -9.315 0.568 -7.843 1.00 0.00 H new ATOM 1661 N ALA A 99 -5.804 0.932 -5.057 1.00 0.00 N ATOM 1662 CA ALA A 99 -4.705 0.005 -4.774 1.00 0.00 C ATOM 1663 C ALA A 99 -5.068 -0.864 -3.563 1.00 0.00 C ATOM 1664 O ALA A 99 -4.957 -2.099 -3.611 1.00 0.00 O ATOM 1665 CB ALA A 99 -3.418 0.780 -4.518 1.00 0.00 C ATOM 0 H ALA A 99 -5.534 1.916 -5.048 1.00 0.00 H new ATOM 0 HA ALA A 99 -4.545 -0.643 -5.636 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -2.608 0.081 -4.309 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -3.168 1.372 -5.399 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -3.556 1.442 -3.663 1.00 0.00 H new ATOM 1671 N LEU A 100 -5.515 -0.220 -2.491 1.00 0.00 N ATOM 1672 CA LEU A 100 -5.909 -0.945 -1.282 1.00 0.00 C ATOM 1673 C LEU A 100 -7.092 -1.864 -1.552 1.00 0.00 C ATOM 1674 O LEU A 100 -7.089 -3.022 -1.156 1.00 0.00 O ATOM 1675 CB LEU A 100 -6.280 0.037 -0.166 1.00 0.00 C ATOM 1676 CG LEU A 100 -5.097 0.716 0.541 1.00 0.00 C ATOM 1677 CD1 LEU A 100 -5.606 1.871 1.401 1.00 0.00 C ATOM 1678 CD2 LEU A 100 -4.333 -0.284 1.420 1.00 0.00 C ATOM 0 H LEU A 100 -5.614 0.793 -2.431 1.00 0.00 H new ATOM 0 HA LEU A 100 -5.057 -1.550 -0.970 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -6.922 0.811 -0.586 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -6.869 -0.495 0.581 1.00 0.00 H new ATOM 0 HG LEU A 100 -4.415 1.096 -0.220 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -4.765 2.351 1.901 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -6.115 2.599 0.769 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -6.302 1.489 2.148 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -3.501 0.223 1.909 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -5.004 -0.691 2.176 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -3.950 -1.095 0.800 1.00 0.00 H new ATOM 1690 N ARG A 101 -8.106 -1.361 -2.240 1.00 0.00 N ATOM 1691 CA ARG A 101 -9.293 -2.165 -2.535 1.00 0.00 C ATOM 1692 C ARG A 101 -8.955 -3.345 -3.430 1.00 0.00 C ATOM 1693 O ARG A 101 -9.540 -4.413 -3.308 1.00 0.00 O ATOM 1694 CB ARG A 101 -10.367 -1.298 -3.185 1.00 0.00 C ATOM 1695 CG ARG A 101 -11.731 -1.952 -3.205 1.00 0.00 C ATOM 1696 CD ARG A 101 -12.755 -1.023 -3.810 1.00 0.00 C ATOM 1697 NE ARG A 101 -14.109 -1.589 -3.701 1.00 0.00 N ATOM 1698 CZ ARG A 101 -15.211 -1.044 -4.201 1.00 0.00 C ATOM 1699 NH1 ARG A 101 -15.190 0.085 -4.870 1.00 0.00 N ATOM 1700 NH2 ARG A 101 -16.353 -1.646 -4.023 1.00 0.00 N ATOM 0 H ARG A 101 -8.136 -0.409 -2.604 1.00 0.00 H new ATOM 0 HA ARG A 101 -9.674 -2.559 -1.593 1.00 0.00 H new ATOM 0 HB2 ARG A 101 -10.433 -0.351 -2.649 1.00 0.00 H new ATOM 0 HB3 ARG A 101 -10.068 -1.066 -4.207 1.00 0.00 H new ATOM 0 HG2 ARG A 101 -11.688 -2.878 -3.778 1.00 0.00 H new ATOM 0 HG3 ARG A 101 -12.028 -2.218 -2.191 1.00 0.00 H new ATOM 0 HD2 ARG A 101 -12.719 -0.058 -3.305 1.00 0.00 H new ATOM 0 HD3 ARG A 101 -12.515 -0.844 -4.858 1.00 0.00 H new ATOM 0 HE ARG A 101 -14.209 -2.472 -3.200 1.00 0.00 H new ATOM 0 HH11 ARG A 101 -14.307 0.573 -5.020 1.00 0.00 H new ATOM 0 HH12 ARG A 101 -16.057 0.475 -5.240 1.00 0.00 H new ATOM 0 HH21 ARG A 101 -16.391 -2.524 -3.505 1.00 0.00 H new ATOM 0 HH22 ARG A 101 -17.208 -1.239 -4.401 1.00 0.00 H new ATOM 1714 N LYS A 102 -8.000 -3.173 -4.330 1.00 0.00 N ATOM 1715 CA LYS A 102 -7.573 -4.275 -5.186 1.00 0.00 C ATOM 1716 C LYS A 102 -6.888 -5.315 -4.318 1.00 0.00 C ATOM 1717 O LYS A 102 -7.075 -6.503 -4.541 1.00 0.00 O ATOM 1718 CB LYS A 102 -6.648 -3.783 -6.310 1.00 0.00 C ATOM 1719 CG LYS A 102 -6.370 -4.835 -7.400 1.00 0.00 C ATOM 1720 CD LYS A 102 -5.064 -5.583 -7.147 1.00 0.00 C ATOM 1721 CE LYS A 102 -4.755 -6.595 -8.239 1.00 0.00 C ATOM 1722 NZ LYS A 102 -3.430 -7.266 -7.986 1.00 0.00 N ATOM 0 H LYS A 102 -7.509 -2.293 -4.488 1.00 0.00 H new ATOM 0 HA LYS A 102 -8.441 -4.720 -5.673 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -7.094 -2.903 -6.774 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -5.700 -3.468 -5.874 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -7.195 -5.547 -7.437 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -6.326 -4.347 -8.374 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -4.246 -4.866 -7.077 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -5.122 -6.095 -6.187 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -5.545 -7.344 -8.281 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -4.736 -6.097 -9.208 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -3.021 -7.578 -8.890 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -2.783 -6.594 -7.526 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -3.571 -8.090 -7.367 1.00 0.00 H new ATOM 1736 N ALA A 103 -6.114 -4.881 -3.331 1.00 0.00 N ATOM 1737 CA ALA A 103 -5.455 -5.812 -2.415 1.00 0.00 C ATOM 1738 C ALA A 103 -6.512 -6.560 -1.591 1.00 0.00 C ATOM 1739 O ALA A 103 -6.450 -7.784 -1.454 1.00 0.00 O ATOM 1740 CB ALA A 103 -4.484 -5.055 -1.487 1.00 0.00 C ATOM 0 H ALA A 103 -5.926 -3.896 -3.142 1.00 0.00 H new ATOM 0 HA ALA A 103 -4.880 -6.535 -2.994 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -4.001 -5.761 -0.811 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -3.726 -4.551 -2.087 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -5.037 -4.317 -0.906 1.00 0.00 H new ATOM 1746 N GLU A 104 -7.484 -5.825 -1.065 1.00 0.00 N ATOM 1747 CA GLU A 104 -8.570 -6.423 -0.281 1.00 0.00 C ATOM 1748 C GLU A 104 -9.285 -7.472 -1.123 1.00 0.00 C ATOM 1749 O GLU A 104 -9.486 -8.594 -0.686 1.00 0.00 O ATOM 1750 CB GLU A 104 -9.580 -5.353 0.157 1.00 0.00 C ATOM 1751 CG GLU A 104 -9.057 -4.395 1.228 1.00 0.00 C ATOM 1752 CD GLU A 104 -10.047 -3.272 1.541 1.00 0.00 C ATOM 1753 OE1 GLU A 104 -10.679 -2.735 0.599 1.00 0.00 O ATOM 1754 OE2 GLU A 104 -10.184 -2.918 2.734 1.00 0.00 O ATOM 0 H GLU A 104 -7.547 -4.812 -1.164 1.00 0.00 H new ATOM 0 HA GLU A 104 -8.141 -6.884 0.608 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -9.880 -4.774 -0.716 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -10.475 -5.848 0.534 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -8.846 -4.954 2.140 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -8.114 -3.962 0.895 1.00 0.00 H new ATOM 1761 N LYS A 105 -9.646 -7.105 -2.344 1.00 0.00 N ATOM 1762 CA LYS A 105 -10.330 -8.019 -3.261 1.00 0.00 C ATOM 1763 C LYS A 105 -9.461 -9.221 -3.617 1.00 0.00 C ATOM 1764 O LYS A 105 -9.958 -10.322 -3.833 1.00 0.00 O ATOM 1765 CB LYS A 105 -10.727 -7.259 -4.522 1.00 0.00 C ATOM 1766 CG LYS A 105 -11.667 -8.032 -5.441 1.00 0.00 C ATOM 1767 CD LYS A 105 -12.110 -7.185 -6.629 1.00 0.00 C ATOM 1768 CE LYS A 105 -10.965 -6.952 -7.617 1.00 0.00 C ATOM 1769 NZ LYS A 105 -11.412 -6.096 -8.766 1.00 0.00 N ATOM 0 H LYS A 105 -9.477 -6.176 -2.729 1.00 0.00 H new ATOM 0 HA LYS A 105 -11.221 -8.403 -2.763 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -11.205 -6.323 -4.234 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -9.825 -6.999 -5.077 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -11.167 -8.932 -5.801 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -12.542 -8.357 -4.878 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -12.936 -7.679 -7.140 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -12.484 -6.225 -6.272 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -10.130 -6.473 -7.105 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -10.603 -7.909 -7.991 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -10.618 -5.953 -9.422 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -12.193 -6.566 -9.266 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -11.735 -5.175 -8.407 1.00 0.00 H new ATOM 1783 N GLU A 106 -8.154 -9.028 -3.670 1.00 0.00 N ATOM 1784 CA GLU A 106 -7.262 -10.144 -3.935 1.00 0.00 C ATOM 1785 C GLU A 106 -7.295 -11.073 -2.736 1.00 0.00 C ATOM 1786 O GLU A 106 -7.357 -12.285 -2.888 1.00 0.00 O ATOM 1787 CB GLU A 106 -5.828 -9.683 -4.172 1.00 0.00 C ATOM 1788 CG GLU A 106 -5.226 -10.274 -5.422 1.00 0.00 C ATOM 1789 CD GLU A 106 -3.724 -10.138 -5.439 1.00 0.00 C ATOM 1790 OE1 GLU A 106 -3.050 -10.897 -4.702 1.00 0.00 O ATOM 1791 OE2 GLU A 106 -3.205 -9.285 -6.191 1.00 0.00 O ATOM 0 H GLU A 106 -7.694 -8.128 -3.536 1.00 0.00 H new ATOM 0 HA GLU A 106 -7.599 -10.651 -4.839 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -5.807 -8.595 -4.243 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -5.216 -9.958 -3.313 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -5.496 -11.328 -5.492 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -5.646 -9.778 -6.297 1.00 0.00 H new ATOM 1798 N LEU A 107 -7.269 -10.516 -1.536 1.00 0.00 N ATOM 1799 CA LEU A 107 -7.315 -11.343 -0.334 1.00 0.00 C ATOM 1800 C LEU A 107 -8.660 -12.070 -0.237 1.00 0.00 C ATOM 1801 O LEU A 107 -8.709 -13.223 0.201 1.00 0.00 O ATOM 1802 CB LEU A 107 -7.040 -10.496 0.909 1.00 0.00 C ATOM 1803 CG LEU A 107 -5.598 -9.951 0.982 1.00 0.00 C ATOM 1804 CD1 LEU A 107 -5.479 -8.960 2.132 1.00 0.00 C ATOM 1805 CD2 LEU A 107 -4.579 -11.093 1.142 1.00 0.00 C ATOM 0 H LEU A 107 -7.217 -9.512 -1.366 1.00 0.00 H new ATOM 0 HA LEU A 107 -6.533 -12.100 -0.396 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -7.737 -9.658 0.928 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -7.238 -11.096 1.797 1.00 0.00 H new ATOM 0 HG LEU A 107 -5.374 -9.439 0.046 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -4.459 -8.578 2.179 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -6.169 -8.132 1.972 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -5.723 -9.460 3.070 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -3.572 -10.678 1.191 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -4.790 -11.643 2.059 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -4.652 -11.768 0.290 1.00 0.00 H new ATOM 1817 N GLU A 108 -9.736 -11.427 -0.677 1.00 0.00 N ATOM 1818 CA GLU A 108 -11.046 -12.083 -0.741 1.00 0.00 C ATOM 1819 C GLU A 108 -10.918 -13.308 -1.645 1.00 0.00 C ATOM 1820 O GLU A 108 -11.319 -14.404 -1.270 1.00 0.00 O ATOM 1821 CB GLU A 108 -12.130 -11.158 -1.322 1.00 0.00 C ATOM 1822 CG GLU A 108 -12.580 -10.015 -0.423 1.00 0.00 C ATOM 1823 CD GLU A 108 -13.522 -9.060 -1.161 1.00 0.00 C ATOM 1824 OE1 GLU A 108 -13.173 -7.869 -1.323 1.00 0.00 O ATOM 1825 OE2 GLU A 108 -14.609 -9.507 -1.589 1.00 0.00 O ATOM 0 H GLU A 108 -9.732 -10.458 -0.994 1.00 0.00 H new ATOM 0 HA GLU A 108 -11.344 -12.353 0.272 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -11.758 -10.736 -2.255 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -13.002 -11.763 -1.571 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -13.084 -10.418 0.456 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -11.708 -9.466 -0.067 1.00 0.00 H new ATOM 1832 N SER A 109 -10.343 -13.131 -2.830 1.00 0.00 N ATOM 1833 CA SER A 109 -10.185 -14.242 -3.779 1.00 0.00 C ATOM 1834 C SER A 109 -9.304 -15.361 -3.218 1.00 0.00 C ATOM 1835 O SER A 109 -9.511 -16.536 -3.521 1.00 0.00 O ATOM 1836 CB SER A 109 -9.634 -13.746 -5.122 1.00 0.00 C ATOM 1837 OG SER A 109 -8.281 -13.327 -5.040 1.00 0.00 O ATOM 0 H SER A 109 -9.979 -12.237 -3.160 1.00 0.00 H new ATOM 0 HA SER A 109 -11.178 -14.660 -3.943 1.00 0.00 H new ATOM 0 HB2 SER A 109 -9.719 -14.543 -5.861 1.00 0.00 H new ATOM 0 HB3 SER A 109 -10.246 -12.916 -5.476 1.00 0.00 H new ATOM 0 HG SER A 109 -8.035 -13.197 -4.100 1.00 0.00 H new ATOM 1843 N HIS A 110 -8.343 -15.008 -2.373 1.00 0.00 N ATOM 1844 CA HIS A 110 -7.440 -16.001 -1.788 1.00 0.00 C ATOM 1845 C HIS A 110 -8.149 -16.743 -0.646 1.00 0.00 C ATOM 1846 O HIS A 110 -7.716 -17.815 -0.233 1.00 0.00 O ATOM 1847 CB HIS A 110 -6.158 -15.329 -1.258 1.00 0.00 C ATOM 1848 CG HIS A 110 -5.385 -14.575 -2.304 1.00 0.00 C ATOM 1849 ND1 HIS A 110 -5.375 -14.918 -3.660 1.00 0.00 N ATOM 1850 CD2 HIS A 110 -4.593 -13.465 -2.227 1.00 0.00 C ATOM 1851 CE1 HIS A 110 -4.621 -14.048 -4.319 1.00 0.00 C ATOM 1852 NE2 HIS A 110 -4.146 -13.164 -3.479 1.00 0.00 N ATOM 0 H HIS A 110 -8.166 -14.048 -2.077 1.00 0.00 H new ATOM 0 HA HIS A 110 -7.161 -16.713 -2.565 1.00 0.00 H new ATOM 0 HB2 HIS A 110 -6.425 -14.643 -0.454 1.00 0.00 H new ATOM 0 HB3 HIS A 110 -5.513 -16.093 -0.824 1.00 0.00 H new ATOM 0 HD1 HIS A 110 -5.868 -15.709 -4.075 1.00 0.00 H new ATOM 0 HD2 HIS A 110 -4.360 -12.918 -1.326 1.00 0.00 H new ATOM 0 HE1 HIS A 110 -4.429 -14.066 -5.382 1.00 0.00 H new ATOM 1860 N SER A 111 -9.243 -16.175 -0.155 1.00 0.00 N ATOM 1861 CA SER A 111 -10.047 -16.784 0.913 1.00 0.00 C ATOM 1862 C SER A 111 -11.402 -17.303 0.400 1.00 0.00 C ATOM 1863 O SER A 111 -12.196 -17.825 1.166 1.00 0.00 O ATOM 1864 CB SER A 111 -10.284 -15.750 2.011 1.00 0.00 C ATOM 1865 OG SER A 111 -10.834 -14.567 1.462 1.00 0.00 O ATOM 0 H SER A 111 -9.604 -15.279 -0.482 1.00 0.00 H new ATOM 0 HA SER A 111 -9.493 -17.640 1.300 1.00 0.00 H new ATOM 0 HB2 SER A 111 -10.959 -16.157 2.764 1.00 0.00 H new ATOM 0 HB3 SER A 111 -9.344 -15.523 2.515 1.00 0.00 H new ATOM 0 HG SER A 111 -10.129 -14.058 1.009 1.00 0.00 H new ATOM 1871 N SER A 112 -11.644 -17.169 -0.898 1.00 0.00 N ATOM 1872 CA SER A 112 -12.896 -17.603 -1.562 1.00 0.00 C ATOM 1873 C SER A 112 -13.102 -19.125 -1.681 1.00 0.00 C ATOM 1874 O SER A 112 -13.930 -19.575 -2.468 1.00 0.00 O ATOM 1875 CB SER A 112 -12.985 -16.990 -2.960 1.00 0.00 C ATOM 1876 OG SER A 112 -13.124 -15.582 -2.884 1.00 0.00 O ATOM 0 H SER A 112 -10.973 -16.750 -1.542 1.00 0.00 H new ATOM 0 HA SER A 112 -13.688 -17.246 -0.903 1.00 0.00 H new ATOM 0 HB2 SER A 112 -12.090 -17.241 -3.530 1.00 0.00 H new ATOM 0 HB3 SER A 112 -13.834 -17.415 -3.495 1.00 0.00 H new ATOM 0 HG SER A 112 -12.541 -15.233 -2.178 1.00 0.00 H new ATOM 1882 N TRP A 113 -12.315 -19.905 -0.956 1.00 0.00 N ATOM 1883 CA TRP A 113 -12.339 -21.367 -1.061 1.00 0.00 C ATOM 1884 C TRP A 113 -13.714 -22.034 -0.916 1.00 0.00 C ATOM 1885 O TRP A 113 -14.641 -21.504 -0.305 1.00 0.00 O ATOM 1886 CB TRP A 113 -11.387 -21.965 -0.019 1.00 0.00 C ATOM 1887 CG TRP A 113 -12.069 -22.696 1.122 1.00 0.00 C ATOM 1888 CD1 TRP A 113 -12.160 -24.042 1.288 1.00 0.00 C ATOM 1889 CD2 TRP A 113 -12.738 -22.127 2.267 1.00 0.00 C ATOM 1890 NE1 TRP A 113 -12.828 -24.365 2.429 1.00 0.00 N ATOM 1891 CE2 TRP A 113 -13.195 -23.215 3.070 1.00 0.00 C ATOM 1892 CE3 TRP A 113 -13.001 -20.811 2.699 1.00 0.00 C ATOM 1893 CZ2 TRP A 113 -13.887 -23.022 4.284 1.00 0.00 C ATOM 1894 CZ3 TRP A 113 -13.697 -20.611 3.920 1.00 0.00 C ATOM 1895 CH2 TRP A 113 -14.133 -21.724 4.698 1.00 0.00 C ATOM 0 H TRP A 113 -11.641 -19.549 -0.278 1.00 0.00 H new ATOM 0 HA TRP A 113 -12.027 -21.576 -2.084 1.00 0.00 H new ATOM 0 HB2 TRP A 113 -10.710 -22.656 -0.521 1.00 0.00 H new ATOM 0 HB3 TRP A 113 -10.775 -21.164 0.396 1.00 0.00 H new ATOM 0 HD1 TRP A 113 -11.752 -24.767 0.599 1.00 0.00 H new ATOM 0 HE1 TRP A 113 -13.023 -25.312 2.753 1.00 0.00 H new ATOM 0 HE3 TRP A 113 -12.677 -19.966 2.109 1.00 0.00 H new ATOM 0 HZ2 TRP A 113 -14.216 -23.864 4.875 1.00 0.00 H new ATOM 0 HZ3 TRP A 113 -13.898 -19.607 4.263 1.00 0.00 H new ATOM 0 HH2 TRP A 113 -14.663 -21.552 5.623 1.00 0.00 H new ATOM 1906 N TYR A 114 -13.803 -23.227 -1.481 1.00 0.00 N ATOM 1907 CA TYR A 114 -14.988 -24.063 -1.413 1.00 0.00 C ATOM 1908 C TYR A 114 -14.419 -25.474 -1.342 1.00 0.00 C ATOM 1909 O TYR A 114 -13.310 -25.701 -1.842 1.00 0.00 O ATOM 1910 CB TYR A 114 -15.850 -23.873 -2.667 1.00 0.00 C ATOM 1911 CG TYR A 114 -17.105 -24.718 -2.672 1.00 0.00 C ATOM 1912 CD1 TYR A 114 -17.107 -26.005 -3.249 1.00 0.00 C ATOM 1913 CD2 TYR A 114 -18.297 -24.241 -2.089 1.00 0.00 C ATOM 1914 CE1 TYR A 114 -18.277 -26.808 -3.234 1.00 0.00 C ATOM 1915 CE2 TYR A 114 -19.472 -25.042 -2.078 1.00 0.00 C ATOM 1916 CZ TYR A 114 -19.446 -26.319 -2.645 1.00 0.00 C ATOM 1917 OH TYR A 114 -20.572 -27.100 -2.627 1.00 0.00 O ATOM 0 H TYR A 114 -13.039 -23.648 -2.009 1.00 0.00 H new ATOM 0 HA TYR A 114 -15.636 -23.829 -0.568 1.00 0.00 H new ATOM 0 HB2 TYR A 114 -16.129 -22.823 -2.751 1.00 0.00 H new ATOM 0 HB3 TYR A 114 -15.255 -24.116 -3.547 1.00 0.00 H new ATOM 0 HD1 TYR A 114 -16.206 -26.384 -3.708 1.00 0.00 H new ATOM 0 HD2 TYR A 114 -18.318 -23.256 -1.646 1.00 0.00 H new ATOM 0 HE1 TYR A 114 -18.264 -27.793 -3.676 1.00 0.00 H new ATOM 0 HE2 TYR A 114 -20.381 -24.665 -1.633 1.00 0.00 H new ATOM 0 HH TYR A 114 -21.298 -26.616 -2.181 1.00 0.00 H new ATOM 1927 N ALA A 115 -15.143 -26.402 -0.732 1.00 0.00 N ATOM 1928 CA ALA A 115 -14.704 -27.786 -0.595 1.00 0.00 C ATOM 1929 C ALA A 115 -15.973 -28.625 -0.480 1.00 0.00 C ATOM 1930 O ALA A 115 -15.919 -29.852 -0.690 1.00 0.00 O ATOM 1931 CB ALA A 115 -13.817 -27.946 0.661 1.00 0.00 C ATOM 1932 OXT ALA A 115 -17.016 -28.010 -0.164 1.00 0.00 O ATOM 0 H ALA A 115 -16.056 -26.216 -0.316 1.00 0.00 H new ATOM 0 HA ALA A 115 -14.104 -28.103 -1.448 1.00 0.00 H new ATOM 0 HB1 ALA A 115 -13.497 -28.984 0.750 1.00 0.00 H new ATOM 0 HB2 ALA A 115 -12.942 -27.303 0.573 1.00 0.00 H new ATOM 0 HB3 ALA A 115 -14.386 -27.664 1.547 1.00 0.00 H new TER 1938 ALA A 115