USER MOD reduce.3.24.130724 H: found=0, std=0, add=879, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 879 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 21 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 26 TYR OH : rot 50:sc= -0.648 USER MOD Set 2.2: A 53 LYS NZ :NH3+ -99:sc=-0.00183 (180deg=-0.95) USER MOD Set 3.1: A 5 CYS SG : rot -111:sc= 1.16 USER MOD Set 3.2: A 106 MET CE :methyl 150:sc= -0.376 (180deg=-1.6!) USER MOD Single : A 1 GLU N :NH3+ -105:sc= 0.0647 (180deg=0) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 CYS SG : rot -82:sc= 0.043 USER MOD Single : A 7 SER OG : rot 51:sc= 1.17 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 MET CE :methyl -162:sc= 0 (180deg=-0.0455) USER MOD Single : A 16 LYS NZ :NH3+ -166:sc= 0 (180deg=-0.164) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 HIS : no HE2:sc= -6.39! C(o=-6.4!,f=-7.5!) USER MOD Single : A 27 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0102) USER MOD Single : A 37 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 CYS SG : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ -154:sc= -0.86 (180deg=-2.15!) USER MOD Single : A 45 HIS : no HE2:sc= -0.0564 X(o=-0.056,f=-0.32) USER MOD Single : A 47 MET CE :methyl 171:sc= -0.0268 (180deg=-0.227) USER MOD Single : A 49 MET CE :methyl -112:sc= -0.429 (180deg=-1.19) USER MOD Single : A 50 SER OG : rot -32:sc= 0 USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ -165:sc= 1.08 (180deg=0.91) USER MOD Single : A 61 TYR OH : rot 40:sc= -2.69! USER MOD Single : A 65 GLN : amide:sc= -0.445 X(o=-0.45,f=-0.37) USER MOD Single : A 74 MET CE :methyl -155:sc= -0.137 (180deg=-0.631) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 ASN : amide:sc= -1.95 K(o=-1.9,f=-4.1!) USER MOD Single : A 78 CYS SG : rot 129:sc= 0.431 USER MOD Single : A 79 TYR OH : rot 180:sc= -0.301 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 ASN : amide:sc= -0.821 K(o=-0.82,f=-1.4) USER MOD Single : A 86 HIS : no HD1:sc= -0.0282 X(o=-0.028,f=-0.43) USER MOD Single : A 91 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 96 GLN : amide:sc= -0.17 K(o=-0.17,f=-1.7!) USER MOD Single : A 101 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 170.335 -17.599 11.416 1.00 0.00 N ATOM 2 CA GLU A 1 170.906 -17.579 10.041 1.00 0.00 C ATOM 3 C GLU A 1 171.560 -16.236 9.732 1.00 0.00 C ATOM 4 O GLU A 1 171.290 -15.236 10.400 1.00 0.00 O ATOM 5 CB GLU A 1 169.781 -17.857 9.037 1.00 0.00 C ATOM 6 CG GLU A 1 170.274 -18.151 7.626 1.00 0.00 C ATOM 7 CD GLU A 1 169.348 -19.076 6.861 1.00 0.00 C ATOM 8 OE1 GLU A 1 169.381 -20.297 7.120 1.00 0.00 O ATOM 9 OE2 GLU A 1 168.587 -18.577 6.005 1.00 0.00 O ATOM 0 H1 GLU A 1 170.947 -18.165 12.038 1.00 0.00 H new ATOM 0 H2 GLU A 1 170.275 -16.627 11.781 1.00 0.00 H new ATOM 0 H3 GLU A 1 169.384 -18.018 11.391 1.00 0.00 H new ATOM 0 HA GLU A 1 171.677 -18.346 9.967 1.00 0.00 H new ATOM 0 HB2 GLU A 1 169.193 -18.704 9.390 1.00 0.00 H new ATOM 0 HB3 GLU A 1 169.113 -16.996 9.006 1.00 0.00 H new ATOM 0 HG2 GLU A 1 170.377 -17.214 7.079 1.00 0.00 H new ATOM 0 HG3 GLU A 1 171.266 -18.600 7.679 1.00 0.00 H new ATOM 18 N GLN A 2 172.418 -16.221 8.712 1.00 0.00 N ATOM 19 CA GLN A 2 173.112 -15.001 8.303 1.00 0.00 C ATOM 20 C GLN A 2 172.120 -13.890 7.964 1.00 0.00 C ATOM 21 O GLN A 2 172.367 -12.721 8.258 1.00 0.00 O ATOM 22 CB GLN A 2 174.015 -15.274 7.097 1.00 0.00 C ATOM 23 CG GLN A 2 175.037 -16.376 7.332 1.00 0.00 C ATOM 24 CD GLN A 2 175.244 -17.247 6.108 1.00 0.00 C ATOM 25 OE1 GLN A 2 176.262 -17.141 5.423 1.00 0.00 O ATOM 26 NE2 GLN A 2 174.278 -18.114 5.825 1.00 0.00 N ATOM 0 H GLN A 2 172.649 -17.042 8.153 1.00 0.00 H new ATOM 0 HA GLN A 2 173.726 -14.673 9.142 1.00 0.00 H new ATOM 0 HB2 GLN A 2 173.393 -15.544 6.243 1.00 0.00 H new ATOM 0 HB3 GLN A 2 174.539 -14.356 6.832 1.00 0.00 H new ATOM 0 HG2 GLN A 2 175.988 -15.929 7.621 1.00 0.00 H new ATOM 0 HG3 GLN A 2 174.711 -16.998 8.166 1.00 0.00 H new ATOM 0 HE21 GLN A 2 173.451 -18.168 6.420 1.00 0.00 H new ATOM 0 HE22 GLN A 2 174.363 -18.725 5.013 1.00 0.00 H new ATOM 35 N LEU A 3 170.994 -14.261 7.350 1.00 0.00 N ATOM 36 CA LEU A 3 169.968 -13.288 6.982 1.00 0.00 C ATOM 37 C LEU A 3 169.418 -12.584 8.221 1.00 0.00 C ATOM 38 O LEU A 3 169.293 -11.360 8.242 1.00 0.00 O ATOM 39 CB LEU A 3 168.825 -13.968 6.222 1.00 0.00 C ATOM 40 CG LEU A 3 169.237 -14.726 4.957 1.00 0.00 C ATOM 41 CD1 LEU A 3 168.150 -15.711 4.552 1.00 0.00 C ATOM 42 CD2 LEU A 3 169.531 -13.752 3.824 1.00 0.00 C ATOM 0 H LEU A 3 170.772 -15.224 7.099 1.00 0.00 H new ATOM 0 HA LEU A 3 170.431 -12.545 6.333 1.00 0.00 H new ATOM 0 HB2 LEU A 3 168.327 -14.664 6.896 1.00 0.00 H new ATOM 0 HB3 LEU A 3 168.092 -13.210 5.948 1.00 0.00 H new ATOM 0 HG LEU A 3 170.147 -15.287 5.169 1.00 0.00 H new ATOM 0 HD11 LEU A 3 168.458 -16.242 3.651 1.00 0.00 H new ATOM 0 HD12 LEU A 3 167.989 -16.427 5.358 1.00 0.00 H new ATOM 0 HD13 LEU A 3 167.224 -15.171 4.356 1.00 0.00 H new ATOM 0 HD21 LEU A 3 169.822 -14.308 2.933 1.00 0.00 H new ATOM 0 HD22 LEU A 3 168.639 -13.164 3.609 1.00 0.00 H new ATOM 0 HD23 LEU A 3 170.343 -13.086 4.118 1.00 0.00 H new ATOM 54 N LYS A 4 169.099 -13.366 9.255 1.00 0.00 N ATOM 55 CA LYS A 4 168.570 -12.814 10.502 1.00 0.00 C ATOM 56 C LYS A 4 169.635 -11.991 11.227 1.00 0.00 C ATOM 57 O LYS A 4 169.322 -10.983 11.864 1.00 0.00 O ATOM 58 CB LYS A 4 168.059 -13.933 11.415 1.00 0.00 C ATOM 59 CG LYS A 4 167.080 -14.878 10.731 1.00 0.00 C ATOM 60 CD LYS A 4 165.924 -15.249 11.646 1.00 0.00 C ATOM 61 CE LYS A 4 164.843 -14.177 11.647 1.00 0.00 C ATOM 62 NZ LYS A 4 163.503 -14.737 11.979 1.00 0.00 N ATOM 0 H LYS A 4 169.198 -14.381 9.253 1.00 0.00 H new ATOM 0 HA LYS A 4 167.736 -12.159 10.251 1.00 0.00 H new ATOM 0 HB2 LYS A 4 168.909 -14.508 11.782 1.00 0.00 H new ATOM 0 HB3 LYS A 4 167.575 -13.489 12.285 1.00 0.00 H new ATOM 0 HG2 LYS A 4 166.692 -14.408 9.827 1.00 0.00 H new ATOM 0 HG3 LYS A 4 167.603 -15.782 10.421 1.00 0.00 H new ATOM 0 HD2 LYS A 4 165.495 -16.198 11.325 1.00 0.00 H new ATOM 0 HD3 LYS A 4 166.295 -15.394 12.661 1.00 0.00 H new ATOM 0 HE2 LYS A 4 165.101 -13.402 12.369 1.00 0.00 H new ATOM 0 HE3 LYS A 4 164.804 -13.700 10.668 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 162.796 -13.974 11.969 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 163.244 -15.458 11.276 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 163.532 -15.170 12.924 1.00 0.00 H new ATOM 76 N CYS A 5 170.894 -12.420 11.120 1.00 0.00 N ATOM 77 CA CYS A 5 172.004 -11.714 11.757 1.00 0.00 C ATOM 78 C CYS A 5 172.291 -10.393 11.041 1.00 0.00 C ATOM 79 O CYS A 5 172.583 -9.382 11.681 1.00 0.00 O ATOM 80 CB CYS A 5 173.263 -12.585 11.758 1.00 0.00 C ATOM 81 SG CYS A 5 173.994 -12.821 13.394 1.00 0.00 S ATOM 0 H CYS A 5 171.169 -13.252 10.598 1.00 0.00 H new ATOM 0 HA CYS A 5 171.718 -11.499 12.787 1.00 0.00 H new ATOM 0 HB2 CYS A 5 173.018 -13.560 11.337 1.00 0.00 H new ATOM 0 HB3 CYS A 5 174.006 -12.132 11.102 1.00 0.00 H new ATOM 0 HG CYS A 5 175.130 -12.193 13.456 1.00 0.00 H new ATOM 87 N CYS A 6 172.210 -10.415 9.709 1.00 0.00 N ATOM 88 CA CYS A 6 172.465 -9.226 8.895 1.00 0.00 C ATOM 89 C CYS A 6 171.416 -8.142 9.141 1.00 0.00 C ATOM 90 O CYS A 6 171.743 -6.955 9.187 1.00 0.00 O ATOM 91 CB CYS A 6 172.493 -9.595 7.408 1.00 0.00 C ATOM 92 SG CYS A 6 174.127 -10.067 6.790 1.00 0.00 S ATOM 0 H CYS A 6 171.969 -11.247 9.170 1.00 0.00 H new ATOM 0 HA CYS A 6 173.437 -8.829 9.187 1.00 0.00 H new ATOM 0 HB2 CYS A 6 171.800 -10.419 7.237 1.00 0.00 H new ATOM 0 HB3 CYS A 6 172.129 -8.747 6.828 1.00 0.00 H new ATOM 0 HG CYS A 6 174.814 -8.997 6.518 1.00 0.00 H new ATOM 98 N SER A 7 170.156 -8.552 9.300 1.00 0.00 N ATOM 99 CA SER A 7 169.068 -7.606 9.543 1.00 0.00 C ATOM 100 C SER A 7 169.350 -6.750 10.777 1.00 0.00 C ATOM 101 O SER A 7 169.011 -5.567 10.806 1.00 0.00 O ATOM 102 CB SER A 7 167.732 -8.338 9.707 1.00 0.00 C ATOM 103 OG SER A 7 167.921 -9.699 10.051 1.00 0.00 O ATOM 0 H SER A 7 169.866 -9.529 9.265 1.00 0.00 H new ATOM 0 HA SER A 7 169.002 -6.951 8.674 1.00 0.00 H new ATOM 0 HB2 SER A 7 167.140 -7.846 10.478 1.00 0.00 H new ATOM 0 HB3 SER A 7 167.164 -8.272 8.779 1.00 0.00 H new ATOM 0 HG SER A 7 168.528 -9.761 10.818 1.00 0.00 H new ATOM 109 N GLY A 8 169.983 -7.350 11.789 1.00 0.00 N ATOM 110 CA GLY A 8 170.309 -6.617 13.001 1.00 0.00 C ATOM 111 C GLY A 8 171.218 -5.435 12.726 1.00 0.00 C ATOM 112 O GLY A 8 170.957 -4.325 13.189 1.00 0.00 O ATOM 0 H GLY A 8 170.274 -8.328 11.788 1.00 0.00 H new ATOM 0 HA2 GLY A 8 169.390 -6.265 13.470 1.00 0.00 H new ATOM 0 HA3 GLY A 8 170.792 -7.288 13.711 1.00 0.00 H new ATOM 116 N ILE A 9 172.280 -5.672 11.955 1.00 0.00 N ATOM 117 CA ILE A 9 173.223 -4.615 11.603 1.00 0.00 C ATOM 118 C ILE A 9 172.536 -3.556 10.744 1.00 0.00 C ATOM 119 O ILE A 9 172.701 -2.357 10.970 1.00 0.00 O ATOM 120 CB ILE A 9 174.452 -5.168 10.844 1.00 0.00 C ATOM 121 CG1 ILE A 9 175.106 -6.307 11.634 1.00 0.00 C ATOM 122 CG2 ILE A 9 175.459 -4.056 10.582 1.00 0.00 C ATOM 123 CD1 ILE A 9 176.004 -7.191 10.793 1.00 0.00 C ATOM 0 H ILE A 9 172.507 -6.586 11.564 1.00 0.00 H new ATOM 0 HA ILE A 9 173.569 -4.169 12.536 1.00 0.00 H new ATOM 0 HB ILE A 9 174.115 -5.564 9.886 1.00 0.00 H new ATOM 0 HG12 ILE A 9 175.690 -5.883 12.451 1.00 0.00 H new ATOM 0 HG13 ILE A 9 174.326 -6.920 12.085 1.00 0.00 H new ATOM 0 HG21 ILE A 9 176.318 -4.461 10.047 1.00 0.00 H new ATOM 0 HG22 ILE A 9 174.992 -3.276 9.980 1.00 0.00 H new ATOM 0 HG23 ILE A 9 175.789 -3.633 11.531 1.00 0.00 H new ATOM 0 HD11 ILE A 9 176.432 -7.975 11.418 1.00 0.00 H new ATOM 0 HD12 ILE A 9 175.421 -7.644 9.991 1.00 0.00 H new ATOM 0 HD13 ILE A 9 176.806 -6.591 10.363 1.00 0.00 H new ATOM 135 N LEU A 10 171.752 -4.011 9.766 1.00 0.00 N ATOM 136 CA LEU A 10 171.024 -3.106 8.881 1.00 0.00 C ATOM 137 C LEU A 10 170.021 -2.264 9.673 1.00 0.00 C ATOM 138 O LEU A 10 169.800 -1.094 9.359 1.00 0.00 O ATOM 139 CB LEU A 10 170.301 -3.892 7.783 1.00 0.00 C ATOM 140 CG LEU A 10 170.925 -3.783 6.387 1.00 0.00 C ATOM 141 CD1 LEU A 10 172.278 -4.479 6.351 1.00 0.00 C ATOM 142 CD2 LEU A 10 169.989 -4.370 5.337 1.00 0.00 C ATOM 0 H LEU A 10 171.606 -5.001 9.568 1.00 0.00 H new ATOM 0 HA LEU A 10 171.746 -2.437 8.414 1.00 0.00 H new ATOM 0 HB2 LEU A 10 170.271 -4.943 8.070 1.00 0.00 H new ATOM 0 HB3 LEU A 10 169.268 -3.547 7.730 1.00 0.00 H new ATOM 0 HG LEU A 10 171.078 -2.728 6.158 1.00 0.00 H new ATOM 0 HD11 LEU A 10 172.706 -4.391 5.352 1.00 0.00 H new ATOM 0 HD12 LEU A 10 172.947 -4.012 7.074 1.00 0.00 H new ATOM 0 HD13 LEU A 10 172.152 -5.533 6.600 1.00 0.00 H new ATOM 0 HD21 LEU A 10 170.448 -4.284 4.352 1.00 0.00 H new ATOM 0 HD22 LEU A 10 169.804 -5.421 5.561 1.00 0.00 H new ATOM 0 HD23 LEU A 10 169.045 -3.825 5.346 1.00 0.00 H new ATOM 154 N LYS A 11 169.418 -2.869 10.702 1.00 0.00 N ATOM 155 CA LYS A 11 168.440 -2.178 11.544 1.00 0.00 C ATOM 156 C LYS A 11 169.045 -0.933 12.194 1.00 0.00 C ATOM 157 O LYS A 11 168.332 0.026 12.479 1.00 0.00 O ATOM 158 CB LYS A 11 167.902 -3.121 12.627 1.00 0.00 C ATOM 159 CG LYS A 11 166.551 -3.734 12.286 1.00 0.00 C ATOM 160 CD LYS A 11 165.775 -4.123 13.537 1.00 0.00 C ATOM 161 CE LYS A 11 165.746 -5.633 13.733 1.00 0.00 C ATOM 162 NZ LYS A 11 164.495 -6.085 14.406 1.00 0.00 N ATOM 0 H LYS A 11 169.592 -3.838 10.971 1.00 0.00 H new ATOM 0 HA LYS A 11 167.617 -1.863 10.902 1.00 0.00 H new ATOM 0 HB2 LYS A 11 168.624 -3.921 12.791 1.00 0.00 H new ATOM 0 HB3 LYS A 11 167.816 -2.572 13.565 1.00 0.00 H new ATOM 0 HG2 LYS A 11 165.966 -3.023 11.702 1.00 0.00 H new ATOM 0 HG3 LYS A 11 166.699 -4.615 11.661 1.00 0.00 H new ATOM 0 HD2 LYS A 11 166.229 -3.651 14.409 1.00 0.00 H new ATOM 0 HD3 LYS A 11 164.755 -3.745 13.465 1.00 0.00 H new ATOM 0 HE2 LYS A 11 165.835 -6.126 12.765 1.00 0.00 H new ATOM 0 HE3 LYS A 11 166.608 -5.938 14.327 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 164.516 -7.119 14.520 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 164.422 -5.635 15.341 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 163.673 -5.817 13.827 1.00 0.00 H new ATOM 176 N GLU A 12 170.362 -0.949 12.418 1.00 0.00 N ATOM 177 CA GLU A 12 171.055 0.189 13.025 1.00 0.00 C ATOM 178 C GLU A 12 170.861 1.456 12.191 1.00 0.00 C ATOM 179 O GLU A 12 170.719 2.550 12.742 1.00 0.00 O ATOM 180 CB GLU A 12 172.548 -0.121 13.181 1.00 0.00 C ATOM 181 CG GLU A 12 173.321 0.941 13.954 1.00 0.00 C ATOM 182 CD GLU A 12 174.650 0.439 14.494 1.00 0.00 C ATOM 183 OE1 GLU A 12 175.294 -0.397 13.822 1.00 0.00 O ATOM 184 OE2 GLU A 12 175.049 0.885 15.591 1.00 0.00 O ATOM 0 H GLU A 12 170.968 -1.736 12.188 1.00 0.00 H new ATOM 0 HA GLU A 12 170.625 0.363 14.012 1.00 0.00 H new ATOM 0 HB2 GLU A 12 172.659 -1.079 13.689 1.00 0.00 H new ATOM 0 HB3 GLU A 12 172.992 -0.231 12.191 1.00 0.00 H new ATOM 0 HG2 GLU A 12 173.500 1.797 13.303 1.00 0.00 H new ATOM 0 HG3 GLU A 12 172.709 1.295 14.784 1.00 0.00 H new ATOM 191 N MET A 13 170.838 1.303 10.865 1.00 0.00 N ATOM 192 CA MET A 13 170.640 2.439 9.967 1.00 0.00 C ATOM 193 C MET A 13 169.323 3.152 10.287 1.00 0.00 C ATOM 194 O MET A 13 169.243 4.376 10.221 1.00 0.00 O ATOM 195 CB MET A 13 170.650 1.983 8.506 1.00 0.00 C ATOM 196 CG MET A 13 172.047 1.811 7.928 1.00 0.00 C ATOM 197 SD MET A 13 172.600 0.095 7.953 1.00 0.00 S ATOM 198 CE MET A 13 174.158 0.229 7.081 1.00 0.00 C ATOM 0 H MET A 13 170.954 0.407 10.392 1.00 0.00 H new ATOM 0 HA MET A 13 171.463 3.138 10.117 1.00 0.00 H new ATOM 0 HB2 MET A 13 170.115 1.037 8.426 1.00 0.00 H new ATOM 0 HB3 MET A 13 170.104 2.710 7.904 1.00 0.00 H new ATOM 0 HG2 MET A 13 172.060 2.178 6.902 1.00 0.00 H new ATOM 0 HG3 MET A 13 172.749 2.423 8.494 1.00 0.00 H new ATOM 0 HE1 MET A 13 174.467 -0.757 6.734 1.00 0.00 H new ATOM 0 HE2 MET A 13 174.040 0.894 6.226 1.00 0.00 H new ATOM 0 HE3 MET A 13 174.917 0.631 7.752 1.00 0.00 H new ATOM 208 N PHE A 14 168.298 2.373 10.645 1.00 0.00 N ATOM 209 CA PHE A 14 166.989 2.928 10.990 1.00 0.00 C ATOM 210 C PHE A 14 166.715 2.837 12.500 1.00 0.00 C ATOM 211 O PHE A 14 165.597 3.093 12.948 1.00 0.00 O ATOM 212 CB PHE A 14 165.885 2.199 10.220 1.00 0.00 C ATOM 213 CG PHE A 14 164.866 3.125 9.616 1.00 0.00 C ATOM 214 CD1 PHE A 14 163.814 3.612 10.377 1.00 0.00 C ATOM 215 CD2 PHE A 14 164.959 3.508 8.288 1.00 0.00 C ATOM 216 CE1 PHE A 14 162.876 4.463 9.824 1.00 0.00 C ATOM 217 CE2 PHE A 14 164.024 4.359 7.730 1.00 0.00 C ATOM 218 CZ PHE A 14 162.981 4.837 8.498 1.00 0.00 C ATOM 0 H PHE A 14 168.351 1.356 10.703 1.00 0.00 H new ATOM 0 HA PHE A 14 166.994 3.981 10.710 1.00 0.00 H new ATOM 0 HB2 PHE A 14 166.338 1.603 9.428 1.00 0.00 H new ATOM 0 HB3 PHE A 14 165.381 1.505 10.893 1.00 0.00 H new ATOM 0 HD1 PHE A 14 163.727 3.323 11.414 1.00 0.00 H new ATOM 0 HD2 PHE A 14 165.772 3.137 7.681 1.00 0.00 H new ATOM 0 HE1 PHE A 14 162.062 4.835 10.428 1.00 0.00 H new ATOM 0 HE2 PHE A 14 164.109 4.650 6.693 1.00 0.00 H new ATOM 0 HZ PHE A 14 162.249 5.502 8.063 1.00 0.00 H new ATOM 228 N ALA A 15 167.739 2.480 13.284 1.00 0.00 N ATOM 229 CA ALA A 15 167.595 2.366 14.736 1.00 0.00 C ATOM 230 C ALA A 15 167.955 3.676 15.443 1.00 0.00 C ATOM 231 O ALA A 15 168.114 3.705 16.666 1.00 0.00 O ATOM 232 CB ALA A 15 168.459 1.230 15.265 1.00 0.00 C ATOM 0 H ALA A 15 168.674 2.266 12.936 1.00 0.00 H new ATOM 0 HA ALA A 15 166.548 2.149 14.948 1.00 0.00 H new ATOM 0 HB1 ALA A 15 168.342 1.157 16.346 1.00 0.00 H new ATOM 0 HB2 ALA A 15 168.151 0.292 14.802 1.00 0.00 H new ATOM 0 HB3 ALA A 15 169.504 1.426 15.026 1.00 0.00 H new ATOM 238 N LYS A 16 168.090 4.755 14.666 1.00 0.00 N ATOM 239 CA LYS A 16 168.438 6.073 15.202 1.00 0.00 C ATOM 240 C LYS A 16 169.910 6.130 15.627 1.00 0.00 C ATOM 241 O LYS A 16 170.281 6.908 16.507 1.00 0.00 O ATOM 242 CB LYS A 16 167.527 6.441 16.383 1.00 0.00 C ATOM 243 CG LYS A 16 166.866 7.803 16.243 1.00 0.00 C ATOM 244 CD LYS A 16 166.034 8.154 17.469 1.00 0.00 C ATOM 245 CE LYS A 16 164.864 9.063 17.116 1.00 0.00 C ATOM 246 NZ LYS A 16 165.281 10.214 16.263 1.00 0.00 N ATOM 0 H LYS A 16 167.962 4.739 13.654 1.00 0.00 H new ATOM 0 HA LYS A 16 168.286 6.802 14.406 1.00 0.00 H new ATOM 0 HB2 LYS A 16 166.753 5.680 16.485 1.00 0.00 H new ATOM 0 HB3 LYS A 16 168.113 6.424 17.302 1.00 0.00 H new ATOM 0 HG2 LYS A 16 167.631 8.565 16.092 1.00 0.00 H new ATOM 0 HG3 LYS A 16 166.230 7.810 15.358 1.00 0.00 H new ATOM 0 HD2 LYS A 16 165.658 7.239 17.928 1.00 0.00 H new ATOM 0 HD3 LYS A 16 166.666 8.645 18.209 1.00 0.00 H new ATOM 0 HE2 LYS A 16 164.101 8.485 16.595 1.00 0.00 H new ATOM 0 HE3 LYS A 16 164.409 9.438 18.032 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 164.522 10.924 16.243 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 166.145 10.641 16.654 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 165.468 9.880 15.296 1.00 0.00 H new ATOM 260 N LYS A 17 170.744 5.305 14.991 1.00 0.00 N ATOM 261 CA LYS A 17 172.175 5.265 15.298 1.00 0.00 C ATOM 262 C LYS A 17 173.018 5.591 14.065 1.00 0.00 C ATOM 263 O LYS A 17 174.068 6.226 14.175 1.00 0.00 O ATOM 264 CB LYS A 17 172.564 3.892 15.848 1.00 0.00 C ATOM 265 CG LYS A 17 171.866 3.538 17.152 1.00 0.00 C ATOM 266 CD LYS A 17 171.814 2.035 17.367 1.00 0.00 C ATOM 267 CE LYS A 17 170.856 1.667 18.490 1.00 0.00 C ATOM 268 NZ LYS A 17 171.373 0.539 19.316 1.00 0.00 N ATOM 0 H LYS A 17 170.453 4.656 14.260 1.00 0.00 H new ATOM 0 HA LYS A 17 172.373 6.023 16.056 1.00 0.00 H new ATOM 0 HB2 LYS A 17 172.330 3.132 15.103 1.00 0.00 H new ATOM 0 HB3 LYS A 17 173.642 3.865 16.004 1.00 0.00 H new ATOM 0 HG2 LYS A 17 172.389 4.008 17.985 1.00 0.00 H new ATOM 0 HG3 LYS A 17 170.853 3.941 17.144 1.00 0.00 H new ATOM 0 HD2 LYS A 17 171.501 1.545 16.445 1.00 0.00 H new ATOM 0 HD3 LYS A 17 172.812 1.665 17.602 1.00 0.00 H new ATOM 0 HE2 LYS A 17 170.691 2.537 19.126 1.00 0.00 H new ATOM 0 HE3 LYS A 17 169.889 1.394 18.067 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 170.691 0.320 20.070 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 171.506 -0.299 18.715 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 172.283 0.808 19.741 1.00 0.00 H new ATOM 282 N HIS A 18 172.552 5.157 12.894 1.00 0.00 N ATOM 283 CA HIS A 18 173.260 5.408 11.643 1.00 0.00 C ATOM 284 C HIS A 18 172.311 5.947 10.569 1.00 0.00 C ATOM 285 O HIS A 18 172.562 5.792 9.372 1.00 0.00 O ATOM 286 CB HIS A 18 173.936 4.125 11.154 1.00 0.00 C ATOM 287 CG HIS A 18 175.376 4.312 10.793 1.00 0.00 C ATOM 288 ND1 HIS A 18 176.244 5.090 11.530 1.00 0.00 N ATOM 289 CD2 HIS A 18 176.099 3.822 9.761 1.00 0.00 C ATOM 290 CE1 HIS A 18 177.437 5.070 10.965 1.00 0.00 C ATOM 291 NE2 HIS A 18 177.377 4.307 9.890 1.00 0.00 N ATOM 0 H HIS A 18 171.686 4.629 12.788 1.00 0.00 H new ATOM 0 HA HIS A 18 174.022 6.164 11.831 1.00 0.00 H new ATOM 0 HB2 HIS A 18 173.860 3.364 11.931 1.00 0.00 H new ATOM 0 HB3 HIS A 18 173.397 3.748 10.285 1.00 0.00 H new ATOM 0 HD1 HIS A 18 176.002 5.601 12.379 1.00 0.00 H new ATOM 0 HD2 HIS A 18 175.738 3.170 8.980 1.00 0.00 H new ATOM 0 HE1 HIS A 18 178.314 5.590 11.322 1.00 0.00 H new ATOM 300 N ALA A 19 171.226 6.588 11.005 1.00 0.00 N ATOM 301 CA ALA A 19 170.244 7.156 10.084 1.00 0.00 C ATOM 302 C ALA A 19 170.701 8.513 9.565 1.00 0.00 C ATOM 303 O ALA A 19 170.436 8.867 8.419 1.00 0.00 O ATOM 304 CB ALA A 19 168.889 7.286 10.764 1.00 0.00 C ATOM 0 H ALA A 19 171.006 6.726 11.991 1.00 0.00 H new ATOM 0 HA ALA A 19 170.150 6.479 9.235 1.00 0.00 H new ATOM 0 HB1 ALA A 19 168.170 7.711 10.064 1.00 0.00 H new ATOM 0 HB2 ALA A 19 168.546 6.302 11.084 1.00 0.00 H new ATOM 0 HB3 ALA A 19 168.979 7.939 11.632 1.00 0.00 H new ATOM 310 N ALA A 20 171.390 9.268 10.420 1.00 0.00 N ATOM 311 CA ALA A 20 171.887 10.592 10.049 1.00 0.00 C ATOM 312 C ALA A 20 172.996 10.499 9.003 1.00 0.00 C ATOM 313 O ALA A 20 173.109 11.361 8.130 1.00 0.00 O ATOM 314 CB ALA A 20 172.383 11.337 11.280 1.00 0.00 C ATOM 0 H ALA A 20 171.616 8.986 11.374 1.00 0.00 H new ATOM 0 HA ALA A 20 171.058 11.147 9.609 1.00 0.00 H new ATOM 0 HB1 ALA A 20 172.750 12.321 10.987 1.00 0.00 H new ATOM 0 HB2 ALA A 20 171.564 11.452 11.990 1.00 0.00 H new ATOM 0 HB3 ALA A 20 173.191 10.773 11.746 1.00 0.00 H new ATOM 320 N TYR A 21 173.812 9.450 9.096 1.00 0.00 N ATOM 321 CA TYR A 21 174.909 9.250 8.157 1.00 0.00 C ATOM 322 C TYR A 21 174.413 8.655 6.839 1.00 0.00 C ATOM 323 O TYR A 21 174.966 8.944 5.777 1.00 0.00 O ATOM 324 CB TYR A 21 175.976 8.347 8.776 1.00 0.00 C ATOM 325 CG TYR A 21 176.951 9.094 9.657 1.00 0.00 C ATOM 326 CD1 TYR A 21 178.015 9.795 9.105 1.00 0.00 C ATOM 327 CD2 TYR A 21 176.803 9.105 11.038 1.00 0.00 C ATOM 328 CE1 TYR A 21 178.906 10.485 9.904 1.00 0.00 C ATOM 329 CE2 TYR A 21 177.690 9.792 11.844 1.00 0.00 C ATOM 330 CZ TYR A 21 178.739 10.481 11.273 1.00 0.00 C ATOM 331 OH TYR A 21 179.625 11.164 12.074 1.00 0.00 O ATOM 0 H TYR A 21 173.732 8.728 9.812 1.00 0.00 H new ATOM 0 HA TYR A 21 175.347 10.224 7.941 1.00 0.00 H new ATOM 0 HB2 TYR A 21 175.488 7.569 9.363 1.00 0.00 H new ATOM 0 HB3 TYR A 21 176.526 7.847 7.979 1.00 0.00 H new ATOM 0 HD1 TYR A 21 178.148 9.801 8.033 1.00 0.00 H new ATOM 0 HD2 TYR A 21 175.982 8.568 11.489 1.00 0.00 H new ATOM 0 HE1 TYR A 21 179.729 11.025 9.459 1.00 0.00 H new ATOM 0 HE2 TYR A 21 177.562 9.789 12.916 1.00 0.00 H new ATOM 0 HH TYR A 21 179.364 11.060 13.013 1.00 0.00 H new ATOM 341 N ALA A 22 173.371 7.826 6.911 1.00 0.00 N ATOM 342 CA ALA A 22 172.809 7.198 5.716 1.00 0.00 C ATOM 343 C ALA A 22 171.493 7.855 5.286 1.00 0.00 C ATOM 344 O ALA A 22 170.749 7.288 4.487 1.00 0.00 O ATOM 345 CB ALA A 22 172.597 5.709 5.957 1.00 0.00 C ATOM 0 H ALA A 22 172.901 7.575 7.781 1.00 0.00 H new ATOM 0 HA ALA A 22 173.525 7.337 4.906 1.00 0.00 H new ATOM 0 HB1 ALA A 22 172.178 5.251 5.061 1.00 0.00 H new ATOM 0 HB2 ALA A 22 173.552 5.239 6.192 1.00 0.00 H new ATOM 0 HB3 ALA A 22 171.909 5.570 6.791 1.00 0.00 H new ATOM 351 N TRP A 23 171.204 9.047 5.814 1.00 0.00 N ATOM 352 CA TRP A 23 169.971 9.755 5.475 1.00 0.00 C ATOM 353 C TRP A 23 169.958 10.186 4.007 1.00 0.00 C ATOM 354 O TRP A 23 169.096 9.751 3.241 1.00 0.00 O ATOM 355 CB TRP A 23 169.779 10.973 6.383 1.00 0.00 C ATOM 356 CG TRP A 23 168.503 10.939 7.169 1.00 0.00 C ATOM 357 CD1 TRP A 23 168.356 11.226 8.495 1.00 0.00 C ATOM 358 CD2 TRP A 23 167.195 10.597 6.685 1.00 0.00 C ATOM 359 NE1 TRP A 23 167.041 11.090 8.865 1.00 0.00 N ATOM 360 CE2 TRP A 23 166.309 10.705 7.773 1.00 0.00 C ATOM 361 CE3 TRP A 23 166.686 10.215 5.439 1.00 0.00 C ATOM 362 CZ2 TRP A 23 164.946 10.444 7.654 1.00 0.00 C ATOM 363 CZ3 TRP A 23 165.332 9.956 5.323 1.00 0.00 C ATOM 364 CH2 TRP A 23 164.476 10.073 6.425 1.00 0.00 C ATOM 0 H TRP A 23 171.805 9.539 6.475 1.00 0.00 H new ATOM 0 HA TRP A 23 169.143 9.064 5.632 1.00 0.00 H new ATOM 0 HB2 TRP A 23 170.620 11.037 7.074 1.00 0.00 H new ATOM 0 HB3 TRP A 23 169.797 11.877 5.774 1.00 0.00 H new ATOM 0 HD1 TRP A 23 169.158 11.518 9.157 1.00 0.00 H new ATOM 0 HE1 TRP A 23 166.669 11.250 9.801 1.00 0.00 H new ATOM 0 HE3 TRP A 23 167.338 10.124 4.583 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 164.284 10.532 8.503 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 164.928 9.659 4.366 1.00 0.00 H new ATOM 0 HH2 TRP A 23 163.423 9.866 6.302 1.00 0.00 H new ATOM 375 N PRO A 24 170.911 11.046 3.587 1.00 0.00 N ATOM 376 CA PRO A 24 170.983 11.519 2.199 1.00 0.00 C ATOM 377 C PRO A 24 171.283 10.396 1.205 1.00 0.00 C ATOM 378 O PRO A 24 171.022 10.536 0.009 1.00 0.00 O ATOM 379 CB PRO A 24 172.126 12.539 2.217 1.00 0.00 C ATOM 380 CG PRO A 24 172.948 12.176 3.404 1.00 0.00 C ATOM 381 CD PRO A 24 171.988 11.622 4.419 1.00 0.00 C ATOM 0 HA PRO A 24 170.031 11.936 1.871 1.00 0.00 H new ATOM 0 HB2 PRO A 24 172.713 12.490 1.300 1.00 0.00 H new ATOM 0 HB3 PRO A 24 171.745 13.557 2.297 1.00 0.00 H new ATOM 0 HG2 PRO A 24 173.707 11.439 3.142 1.00 0.00 H new ATOM 0 HG3 PRO A 24 173.472 13.047 3.797 1.00 0.00 H new ATOM 0 HD2 PRO A 24 172.459 10.866 5.048 1.00 0.00 H new ATOM 0 HD3 PRO A 24 171.611 12.400 5.083 1.00 0.00 H new ATOM 389 N PHE A 25 171.829 9.283 1.702 1.00 0.00 N ATOM 390 CA PHE A 25 172.157 8.146 0.850 1.00 0.00 C ATOM 391 C PHE A 25 171.334 6.909 1.224 1.00 0.00 C ATOM 392 O PHE A 25 171.824 5.779 1.148 1.00 0.00 O ATOM 393 CB PHE A 25 173.655 7.839 0.939 1.00 0.00 C ATOM 394 CG PHE A 25 174.344 7.864 -0.395 1.00 0.00 C ATOM 395 CD1 PHE A 25 174.129 6.853 -1.318 1.00 0.00 C ATOM 396 CD2 PHE A 25 175.201 8.901 -0.729 1.00 0.00 C ATOM 397 CE1 PHE A 25 174.753 6.876 -2.549 1.00 0.00 C ATOM 398 CE2 PHE A 25 175.830 8.928 -1.958 1.00 0.00 C ATOM 399 CZ PHE A 25 175.607 7.915 -2.869 1.00 0.00 C ATOM 0 H PHE A 25 172.051 9.149 2.688 1.00 0.00 H new ATOM 0 HA PHE A 25 171.907 8.410 -0.177 1.00 0.00 H new ATOM 0 HB2 PHE A 25 174.129 8.565 1.599 1.00 0.00 H new ATOM 0 HB3 PHE A 25 173.792 6.858 1.393 1.00 0.00 H new ATOM 0 HD1 PHE A 25 173.465 6.037 -1.071 1.00 0.00 H new ATOM 0 HD2 PHE A 25 175.379 9.696 -0.020 1.00 0.00 H new ATOM 0 HE1 PHE A 25 174.574 6.084 -3.261 1.00 0.00 H new ATOM 0 HE2 PHE A 25 176.496 9.741 -2.206 1.00 0.00 H new ATOM 0 HZ PHE A 25 176.099 7.934 -3.830 1.00 0.00 H new ATOM 409 N TYR A 26 170.078 7.125 1.617 1.00 0.00 N ATOM 410 CA TYR A 26 169.193 6.024 1.990 1.00 0.00 C ATOM 411 C TYR A 26 168.363 5.558 0.793 1.00 0.00 C ATOM 412 O TYR A 26 168.167 4.358 0.596 1.00 0.00 O ATOM 413 CB TYR A 26 168.266 6.439 3.139 1.00 0.00 C ATOM 414 CG TYR A 26 168.146 5.395 4.230 1.00 0.00 C ATOM 415 CD1 TYR A 26 167.760 4.093 3.934 1.00 0.00 C ATOM 416 CD2 TYR A 26 168.419 5.712 5.556 1.00 0.00 C ATOM 417 CE1 TYR A 26 167.649 3.139 4.926 1.00 0.00 C ATOM 418 CE2 TYR A 26 168.311 4.762 6.554 1.00 0.00 C ATOM 419 CZ TYR A 26 167.926 3.476 6.233 1.00 0.00 C ATOM 420 OH TYR A 26 167.816 2.526 7.224 1.00 0.00 O ATOM 0 H TYR A 26 169.653 8.050 1.685 1.00 0.00 H new ATOM 0 HA TYR A 26 169.817 5.195 2.323 1.00 0.00 H new ATOM 0 HB2 TYR A 26 168.635 7.367 3.575 1.00 0.00 H new ATOM 0 HB3 TYR A 26 167.275 6.648 2.737 1.00 0.00 H new ATOM 0 HD1 TYR A 26 167.543 3.823 2.911 1.00 0.00 H new ATOM 0 HD2 TYR A 26 168.720 6.717 5.810 1.00 0.00 H new ATOM 0 HE1 TYR A 26 167.346 2.132 4.678 1.00 0.00 H new ATOM 0 HE2 TYR A 26 168.527 5.024 7.579 1.00 0.00 H new ATOM 0 HH TYR A 26 168.302 1.718 6.958 1.00 0.00 H new ATOM 430 N LYS A 27 167.878 6.514 -0.002 1.00 0.00 N ATOM 431 CA LYS A 27 167.067 6.200 -1.179 1.00 0.00 C ATOM 432 C LYS A 27 167.941 6.014 -2.423 1.00 0.00 C ATOM 433 O LYS A 27 169.105 6.417 -2.440 1.00 0.00 O ATOM 434 CB LYS A 27 166.039 7.308 -1.423 1.00 0.00 C ATOM 435 CG LYS A 27 164.681 7.028 -0.797 1.00 0.00 C ATOM 436 CD LYS A 27 163.783 8.255 -0.842 1.00 0.00 C ATOM 437 CE LYS A 27 162.560 8.086 0.049 1.00 0.00 C ATOM 438 NZ LYS A 27 162.888 8.257 1.494 1.00 0.00 N ATOM 0 H LYS A 27 168.033 7.511 0.148 1.00 0.00 H new ATOM 0 HA LYS A 27 166.546 5.262 -0.987 1.00 0.00 H new ATOM 0 HB2 LYS A 27 166.427 8.246 -1.025 1.00 0.00 H new ATOM 0 HB3 LYS A 27 165.913 7.445 -2.497 1.00 0.00 H new ATOM 0 HG2 LYS A 27 164.199 6.204 -1.323 1.00 0.00 H new ATOM 0 HG3 LYS A 27 164.814 6.711 0.237 1.00 0.00 H new ATOM 0 HD2 LYS A 27 164.347 9.132 -0.524 1.00 0.00 H new ATOM 0 HD3 LYS A 27 163.464 8.436 -1.868 1.00 0.00 H new ATOM 0 HE2 LYS A 27 161.800 8.813 -0.238 1.00 0.00 H new ATOM 0 HE3 LYS A 27 162.131 7.097 -0.110 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 162.015 8.201 2.057 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 163.542 7.506 1.793 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 163.336 9.184 1.641 1.00 0.00 H new ATOM 452 N PRO A 28 167.382 5.395 -3.484 1.00 0.00 N ATOM 453 CA PRO A 28 168.105 5.151 -4.738 1.00 0.00 C ATOM 454 C PRO A 28 168.139 6.380 -5.651 1.00 0.00 C ATOM 455 O PRO A 28 167.680 7.460 -5.272 1.00 0.00 O ATOM 456 CB PRO A 28 167.290 4.030 -5.381 1.00 0.00 C ATOM 457 CG PRO A 28 165.894 4.267 -4.917 1.00 0.00 C ATOM 458 CD PRO A 28 165.996 4.880 -3.543 1.00 0.00 C ATOM 0 HA PRO A 28 169.153 4.906 -4.568 1.00 0.00 H new ATOM 0 HB2 PRO A 28 167.358 4.064 -6.468 1.00 0.00 H new ATOM 0 HB3 PRO A 28 167.650 3.049 -5.070 1.00 0.00 H new ATOM 0 HG2 PRO A 28 165.366 4.932 -5.600 1.00 0.00 H new ATOM 0 HG3 PRO A 28 165.333 3.333 -4.884 1.00 0.00 H new ATOM 0 HD2 PRO A 28 165.267 5.679 -3.407 1.00 0.00 H new ATOM 0 HD3 PRO A 28 165.810 4.143 -2.762 1.00 0.00 H new ATOM 466 N VAL A 29 168.680 6.203 -6.857 1.00 0.00 N ATOM 467 CA VAL A 29 168.767 7.291 -7.829 1.00 0.00 C ATOM 468 C VAL A 29 167.884 7.013 -9.047 1.00 0.00 C ATOM 469 O VAL A 29 168.377 6.659 -10.122 1.00 0.00 O ATOM 470 CB VAL A 29 170.224 7.537 -8.283 1.00 0.00 C ATOM 471 CG1 VAL A 29 171.010 8.238 -7.185 1.00 0.00 C ATOM 472 CG2 VAL A 29 170.901 6.232 -8.685 1.00 0.00 C ATOM 0 H VAL A 29 169.064 5.316 -7.183 1.00 0.00 H new ATOM 0 HA VAL A 29 168.408 8.191 -7.330 1.00 0.00 H new ATOM 0 HB VAL A 29 170.203 8.184 -9.160 1.00 0.00 H new ATOM 0 HG11 VAL A 29 172.034 8.404 -7.520 1.00 0.00 H new ATOM 0 HG12 VAL A 29 170.543 9.196 -6.958 1.00 0.00 H new ATOM 0 HG13 VAL A 29 171.017 7.617 -6.289 1.00 0.00 H new ATOM 0 HG21 VAL A 29 171.925 6.435 -9.000 1.00 0.00 H new ATOM 0 HG22 VAL A 29 170.911 5.550 -7.834 1.00 0.00 H new ATOM 0 HG23 VAL A 29 170.352 5.776 -9.509 1.00 0.00 H new ATOM 482 N ASP A 30 166.574 7.176 -8.865 1.00 0.00 N ATOM 483 CA ASP A 30 165.601 6.946 -9.935 1.00 0.00 C ATOM 484 C ASP A 30 165.886 7.843 -11.138 1.00 0.00 C ATOM 485 O ASP A 30 165.594 9.039 -11.113 1.00 0.00 O ATOM 486 CB ASP A 30 164.179 7.205 -9.424 1.00 0.00 C ATOM 487 CG ASP A 30 163.681 6.130 -8.473 1.00 0.00 C ATOM 488 OD1 ASP A 30 164.510 5.535 -7.750 1.00 0.00 O ATOM 489 OD2 ASP A 30 162.458 5.886 -8.446 1.00 0.00 O ATOM 0 H ASP A 30 166.159 7.469 -7.980 1.00 0.00 H new ATOM 0 HA ASP A 30 165.688 5.906 -10.250 1.00 0.00 H new ATOM 0 HB2 ASP A 30 164.152 8.170 -8.918 1.00 0.00 H new ATOM 0 HB3 ASP A 30 163.500 7.272 -10.274 1.00 0.00 H new ATOM 494 N VAL A 31 166.461 7.260 -12.189 1.00 0.00 N ATOM 495 CA VAL A 31 166.785 8.014 -13.399 1.00 0.00 C ATOM 496 C VAL A 31 165.530 8.600 -14.052 1.00 0.00 C ATOM 497 O VAL A 31 165.554 9.726 -14.545 1.00 0.00 O ATOM 498 CB VAL A 31 167.553 7.148 -14.425 1.00 0.00 C ATOM 499 CG1 VAL A 31 166.725 5.950 -14.873 1.00 0.00 C ATOM 500 CG2 VAL A 31 167.981 7.987 -15.621 1.00 0.00 C ATOM 0 H VAL A 31 166.711 6.272 -12.227 1.00 0.00 H new ATOM 0 HA VAL A 31 167.431 8.835 -13.088 1.00 0.00 H new ATOM 0 HB VAL A 31 168.448 6.765 -13.934 1.00 0.00 H new ATOM 0 HG11 VAL A 31 167.295 5.363 -15.594 1.00 0.00 H new ATOM 0 HG12 VAL A 31 166.485 5.330 -14.009 1.00 0.00 H new ATOM 0 HG13 VAL A 31 165.802 6.298 -15.337 1.00 0.00 H new ATOM 0 HG21 VAL A 31 168.520 7.360 -16.331 1.00 0.00 H new ATOM 0 HG22 VAL A 31 167.099 8.408 -16.104 1.00 0.00 H new ATOM 0 HG23 VAL A 31 168.631 8.795 -15.285 1.00 0.00 H new ATOM 510 N GLU A 32 164.438 7.833 -14.054 1.00 0.00 N ATOM 511 CA GLU A 32 163.181 8.290 -14.647 1.00 0.00 C ATOM 512 C GLU A 32 162.517 9.371 -13.792 1.00 0.00 C ATOM 513 O GLU A 32 162.051 10.383 -14.315 1.00 0.00 O ATOM 514 CB GLU A 32 162.217 7.116 -14.845 1.00 0.00 C ATOM 515 CG GLU A 32 162.353 6.446 -16.203 1.00 0.00 C ATOM 516 CD GLU A 32 162.094 4.952 -16.151 1.00 0.00 C ATOM 517 OE1 GLU A 32 162.842 4.244 -15.443 1.00 0.00 O ATOM 518 OE2 GLU A 32 161.146 4.491 -16.820 1.00 0.00 O ATOM 0 H GLU A 32 164.399 6.896 -13.653 1.00 0.00 H new ATOM 0 HA GLU A 32 163.419 8.723 -15.619 1.00 0.00 H new ATOM 0 HB2 GLU A 32 162.392 6.376 -14.064 1.00 0.00 H new ATOM 0 HB3 GLU A 32 161.194 7.471 -14.724 1.00 0.00 H new ATOM 0 HG2 GLU A 32 161.655 6.907 -16.902 1.00 0.00 H new ATOM 0 HG3 GLU A 32 163.356 6.623 -16.591 1.00 0.00 H new ATOM 525 N ALA A 33 162.465 9.145 -12.477 1.00 0.00 N ATOM 526 CA ALA A 33 161.843 10.098 -11.556 1.00 0.00 C ATOM 527 C ALA A 33 162.689 11.358 -11.380 1.00 0.00 C ATOM 528 O ALA A 33 162.173 12.473 -11.461 1.00 0.00 O ATOM 529 CB ALA A 33 161.588 9.445 -10.204 1.00 0.00 C ATOM 0 H ALA A 33 162.845 8.312 -12.027 1.00 0.00 H new ATOM 0 HA ALA A 33 160.891 10.397 -11.995 1.00 0.00 H new ATOM 0 HB1 ALA A 33 161.125 10.168 -9.532 1.00 0.00 H new ATOM 0 HB2 ALA A 33 160.923 8.591 -10.332 1.00 0.00 H new ATOM 0 HB3 ALA A 33 162.533 9.108 -9.779 1.00 0.00 H new ATOM 535 N LEU A 34 163.985 11.177 -11.129 1.00 0.00 N ATOM 536 CA LEU A 34 164.892 12.308 -10.930 1.00 0.00 C ATOM 537 C LEU A 34 165.353 12.915 -12.256 1.00 0.00 C ATOM 538 O LEU A 34 165.778 14.071 -12.295 1.00 0.00 O ATOM 539 CB LEU A 34 166.114 11.871 -10.118 1.00 0.00 C ATOM 540 CG LEU A 34 165.809 11.323 -8.722 1.00 0.00 C ATOM 541 CD1 LEU A 34 167.033 10.627 -8.146 1.00 0.00 C ATOM 542 CD2 LEU A 34 165.344 12.444 -7.803 1.00 0.00 C ATOM 0 H LEU A 34 164.430 10.262 -11.059 1.00 0.00 H new ATOM 0 HA LEU A 34 164.338 13.072 -10.384 1.00 0.00 H new ATOM 0 HB2 LEU A 34 166.650 11.107 -10.681 1.00 0.00 H new ATOM 0 HB3 LEU A 34 166.786 12.723 -10.017 1.00 0.00 H new ATOM 0 HG LEU A 34 165.006 10.591 -8.803 1.00 0.00 H new ATOM 0 HD11 LEU A 34 166.800 10.243 -7.153 1.00 0.00 H new ATOM 0 HD12 LEU A 34 167.321 9.801 -8.796 1.00 0.00 H new ATOM 0 HD13 LEU A 34 167.856 11.338 -8.076 1.00 0.00 H new ATOM 0 HD21 LEU A 34 165.131 12.039 -6.814 1.00 0.00 H new ATOM 0 HD22 LEU A 34 166.127 13.199 -7.725 1.00 0.00 H new ATOM 0 HD23 LEU A 34 164.441 12.898 -8.211 1.00 0.00 H new ATOM 554 N GLY A 35 165.271 12.138 -13.338 1.00 0.00 N ATOM 555 CA GLY A 35 165.689 12.629 -14.641 1.00 0.00 C ATOM 556 C GLY A 35 167.195 12.784 -14.745 1.00 0.00 C ATOM 557 O GLY A 35 167.691 13.877 -15.024 1.00 0.00 O ATOM 0 H GLY A 35 164.923 11.179 -13.333 1.00 0.00 H new ATOM 0 HA2 GLY A 35 165.343 11.942 -15.413 1.00 0.00 H new ATOM 0 HA3 GLY A 35 165.213 13.591 -14.834 1.00 0.00 H new ATOM 561 N LEU A 36 167.923 11.690 -14.519 1.00 0.00 N ATOM 562 CA LEU A 36 169.385 11.712 -14.587 1.00 0.00 C ATOM 563 C LEU A 36 169.915 10.581 -15.470 1.00 0.00 C ATOM 564 O LEU A 36 170.467 9.596 -14.976 1.00 0.00 O ATOM 565 CB LEU A 36 169.995 11.623 -13.178 1.00 0.00 C ATOM 566 CG LEU A 36 169.248 10.724 -12.182 1.00 0.00 C ATOM 567 CD1 LEU A 36 169.789 9.303 -12.226 1.00 0.00 C ATOM 568 CD2 LEU A 36 169.353 11.289 -10.772 1.00 0.00 C ATOM 0 H LEU A 36 167.526 10.779 -14.288 1.00 0.00 H new ATOM 0 HA LEU A 36 169.683 12.659 -15.036 1.00 0.00 H new ATOM 0 HB2 LEU A 36 171.019 11.261 -13.268 1.00 0.00 H new ATOM 0 HB3 LEU A 36 170.048 12.629 -12.761 1.00 0.00 H new ATOM 0 HG LEU A 36 168.197 10.698 -12.469 1.00 0.00 H new ATOM 0 HD11 LEU A 36 169.245 8.684 -11.512 1.00 0.00 H new ATOM 0 HD12 LEU A 36 169.662 8.896 -13.229 1.00 0.00 H new ATOM 0 HD13 LEU A 36 170.848 9.309 -11.968 1.00 0.00 H new ATOM 0 HD21 LEU A 36 168.818 10.640 -10.079 1.00 0.00 H new ATOM 0 HD22 LEU A 36 170.402 11.346 -10.480 1.00 0.00 H new ATOM 0 HD23 LEU A 36 168.915 12.287 -10.746 1.00 0.00 H new ATOM 580 N HIS A 37 169.755 10.733 -16.786 1.00 0.00 N ATOM 581 CA HIS A 37 170.227 9.724 -17.738 1.00 0.00 C ATOM 582 C HIS A 37 171.757 9.712 -17.840 1.00 0.00 C ATOM 583 O HIS A 37 172.331 8.815 -18.461 1.00 0.00 O ATOM 584 CB HIS A 37 169.618 9.961 -19.124 1.00 0.00 C ATOM 585 CG HIS A 37 169.416 8.700 -19.909 1.00 0.00 C ATOM 586 ND1 HIS A 37 170.261 8.298 -20.924 1.00 0.00 N ATOM 587 CD2 HIS A 37 168.458 7.746 -19.821 1.00 0.00 C ATOM 588 CE1 HIS A 37 169.830 7.154 -21.425 1.00 0.00 C ATOM 589 NE2 HIS A 37 168.740 6.797 -20.773 1.00 0.00 N ATOM 0 H HIS A 37 169.304 11.541 -17.216 1.00 0.00 H new ATOM 0 HA HIS A 37 169.903 8.753 -17.364 1.00 0.00 H new ATOM 0 HB2 HIS A 37 168.659 10.467 -19.010 1.00 0.00 H new ATOM 0 HB3 HIS A 37 170.267 10.631 -19.688 1.00 0.00 H new ATOM 0 HD2 HIS A 37 167.627 7.734 -19.131 1.00 0.00 H new ATOM 0 HE1 HIS A 37 170.292 6.604 -22.232 1.00 0.00 H new ATOM 0 HE2 HIS A 37 168.195 5.953 -20.948 1.00 0.00 H new ATOM 598 N ASP A 38 172.416 10.700 -17.225 1.00 0.00 N ATOM 599 CA ASP A 38 173.875 10.781 -17.256 1.00 0.00 C ATOM 600 C ASP A 38 174.510 9.774 -16.296 1.00 0.00 C ATOM 601 O ASP A 38 175.681 9.422 -16.445 1.00 0.00 O ATOM 602 CB ASP A 38 174.338 12.200 -16.901 1.00 0.00 C ATOM 603 CG ASP A 38 175.325 12.760 -17.909 1.00 0.00 C ATOM 604 OD1 ASP A 38 175.103 12.582 -19.126 1.00 0.00 O ATOM 605 OD2 ASP A 38 176.320 13.382 -17.480 1.00 0.00 O ATOM 0 H ASP A 38 171.962 11.450 -16.703 1.00 0.00 H new ATOM 0 HA ASP A 38 174.198 10.538 -18.268 1.00 0.00 H new ATOM 0 HB2 ASP A 38 173.471 12.858 -16.843 1.00 0.00 H new ATOM 0 HB3 ASP A 38 174.798 12.192 -15.913 1.00 0.00 H new ATOM 610 N TYR A 39 173.731 9.304 -15.320 1.00 0.00 N ATOM 611 CA TYR A 39 174.220 8.332 -14.347 1.00 0.00 C ATOM 612 C TYR A 39 174.638 7.033 -15.037 1.00 0.00 C ATOM 613 O TYR A 39 175.667 6.450 -14.699 1.00 0.00 O ATOM 614 CB TYR A 39 173.145 8.042 -13.299 1.00 0.00 C ATOM 615 CG TYR A 39 173.527 8.477 -11.902 1.00 0.00 C ATOM 616 CD1 TYR A 39 174.226 7.624 -11.057 1.00 0.00 C ATOM 617 CD2 TYR A 39 173.184 9.736 -11.427 1.00 0.00 C ATOM 618 CE1 TYR A 39 174.571 8.014 -9.778 1.00 0.00 C ATOM 619 CE2 TYR A 39 173.526 10.134 -10.149 1.00 0.00 C ATOM 620 CZ TYR A 39 174.220 9.269 -9.328 1.00 0.00 C ATOM 621 OH TYR A 39 174.561 9.661 -8.055 1.00 0.00 O ATOM 0 H TYR A 39 172.759 9.582 -15.184 1.00 0.00 H new ATOM 0 HA TYR A 39 175.093 8.758 -13.853 1.00 0.00 H new ATOM 0 HB2 TYR A 39 172.223 8.546 -13.588 1.00 0.00 H new ATOM 0 HB3 TYR A 39 172.935 6.972 -13.293 1.00 0.00 H new ATOM 0 HD1 TYR A 39 174.504 6.640 -11.406 1.00 0.00 H new ATOM 0 HD2 TYR A 39 172.641 10.415 -12.067 1.00 0.00 H new ATOM 0 HE1 TYR A 39 175.113 7.339 -9.133 1.00 0.00 H new ATOM 0 HE2 TYR A 39 173.252 11.117 -9.795 1.00 0.00 H new ATOM 0 HH TYR A 39 174.240 10.573 -7.897 1.00 0.00 H new ATOM 631 N CYS A 40 173.834 6.589 -16.008 1.00 0.00 N ATOM 632 CA CYS A 40 174.128 5.362 -16.749 1.00 0.00 C ATOM 633 C CYS A 40 175.451 5.488 -17.500 1.00 0.00 C ATOM 634 O CYS A 40 176.232 4.536 -17.561 1.00 0.00 O ATOM 635 CB CYS A 40 173.000 5.043 -17.733 1.00 0.00 C ATOM 636 SG CYS A 40 172.715 3.274 -17.983 1.00 0.00 S ATOM 0 H CYS A 40 172.977 7.061 -16.297 1.00 0.00 H new ATOM 0 HA CYS A 40 174.210 4.547 -16.030 1.00 0.00 H new ATOM 0 HB2 CYS A 40 172.079 5.501 -17.374 1.00 0.00 H new ATOM 0 HB3 CYS A 40 173.230 5.502 -18.694 1.00 0.00 H new ATOM 0 HG CYS A 40 171.742 3.106 -18.829 1.00 0.00 H new ATOM 642 N ASP A 41 175.700 6.671 -18.061 1.00 0.00 N ATOM 643 CA ASP A 41 176.933 6.928 -18.798 1.00 0.00 C ATOM 644 C ASP A 41 178.144 6.833 -17.871 1.00 0.00 C ATOM 645 O ASP A 41 179.187 6.299 -18.253 1.00 0.00 O ATOM 646 CB ASP A 41 176.885 8.309 -19.458 1.00 0.00 C ATOM 647 CG ASP A 41 177.628 8.345 -20.778 1.00 0.00 C ATOM 648 OD1 ASP A 41 177.021 7.993 -21.811 1.00 0.00 O ATOM 649 OD2 ASP A 41 178.818 8.724 -20.780 1.00 0.00 O ATOM 0 H ASP A 41 175.062 7.466 -18.018 1.00 0.00 H new ATOM 0 HA ASP A 41 177.029 6.170 -19.576 1.00 0.00 H new ATOM 0 HB2 ASP A 41 175.846 8.595 -19.621 1.00 0.00 H new ATOM 0 HB3 ASP A 41 177.316 9.047 -18.781 1.00 0.00 H new ATOM 654 N ILE A 42 177.995 7.345 -16.648 1.00 0.00 N ATOM 655 CA ILE A 42 179.072 7.310 -15.661 1.00 0.00 C ATOM 656 C ILE A 42 179.237 5.904 -15.086 1.00 0.00 C ATOM 657 O ILE A 42 180.341 5.357 -15.068 1.00 0.00 O ATOM 658 CB ILE A 42 178.821 8.299 -14.499 1.00 0.00 C ATOM 659 CG1 ILE A 42 178.517 9.701 -15.038 1.00 0.00 C ATOM 660 CG2 ILE A 42 180.021 8.337 -13.561 1.00 0.00 C ATOM 661 CD1 ILE A 42 177.464 10.442 -14.241 1.00 0.00 C ATOM 0 H ILE A 42 177.138 7.789 -16.319 1.00 0.00 H new ATOM 0 HA ILE A 42 179.983 7.605 -16.182 1.00 0.00 H new ATOM 0 HB ILE A 42 177.954 7.953 -13.937 1.00 0.00 H new ATOM 0 HG12 ILE A 42 179.436 10.287 -15.042 1.00 0.00 H new ATOM 0 HG13 ILE A 42 178.186 9.619 -16.073 1.00 0.00 H new ATOM 0 HG21 ILE A 42 179.826 9.038 -12.749 1.00 0.00 H new ATOM 0 HG22 ILE A 42 180.192 7.343 -13.148 1.00 0.00 H new ATOM 0 HG23 ILE A 42 180.904 8.657 -14.113 1.00 0.00 H new ATOM 0 HD11 ILE A 42 177.301 11.426 -14.680 1.00 0.00 H new ATOM 0 HD12 ILE A 42 176.531 9.878 -14.258 1.00 0.00 H new ATOM 0 HD13 ILE A 42 177.801 10.556 -13.211 1.00 0.00 H new ATOM 673 N ILE A 43 178.131 5.326 -14.616 1.00 0.00 N ATOM 674 CA ILE A 43 178.143 3.986 -14.038 1.00 0.00 C ATOM 675 C ILE A 43 177.044 3.120 -14.649 1.00 0.00 C ATOM 676 O ILE A 43 175.856 3.362 -14.428 1.00 0.00 O ATOM 677 CB ILE A 43 177.959 4.027 -12.503 1.00 0.00 C ATOM 678 CG1 ILE A 43 178.952 5.005 -11.866 1.00 0.00 C ATOM 679 CG2 ILE A 43 178.124 2.635 -11.907 1.00 0.00 C ATOM 680 CD1 ILE A 43 178.435 5.649 -10.599 1.00 0.00 C ATOM 0 H ILE A 43 177.212 5.769 -14.626 1.00 0.00 H new ATOM 0 HA ILE A 43 179.117 3.552 -14.264 1.00 0.00 H new ATOM 0 HB ILE A 43 176.949 4.376 -12.289 1.00 0.00 H new ATOM 0 HG12 ILE A 43 179.879 4.476 -11.643 1.00 0.00 H new ATOM 0 HG13 ILE A 43 179.195 5.785 -12.588 1.00 0.00 H new ATOM 0 HG21 ILE A 43 177.991 2.684 -10.826 1.00 0.00 H new ATOM 0 HG22 ILE A 43 177.378 1.965 -12.334 1.00 0.00 H new ATOM 0 HG23 ILE A 43 179.121 2.258 -12.133 1.00 0.00 H new ATOM 0 HD11 ILE A 43 179.189 6.329 -10.202 1.00 0.00 H new ATOM 0 HD12 ILE A 43 177.524 6.206 -10.819 1.00 0.00 H new ATOM 0 HD13 ILE A 43 178.218 4.877 -9.861 1.00 0.00 H new ATOM 692 N LYS A 44 177.446 2.104 -15.413 1.00 0.00 N ATOM 693 CA LYS A 44 176.489 1.197 -16.050 1.00 0.00 C ATOM 694 C LYS A 44 175.843 0.245 -15.035 1.00 0.00 C ATOM 695 O LYS A 44 174.865 -0.433 -15.355 1.00 0.00 O ATOM 696 CB LYS A 44 177.166 0.392 -17.164 1.00 0.00 C ATOM 697 CG LYS A 44 178.316 -0.484 -16.686 1.00 0.00 C ATOM 698 CD LYS A 44 179.169 -0.966 -17.849 1.00 0.00 C ATOM 699 CE LYS A 44 180.256 0.040 -18.200 1.00 0.00 C ATOM 700 NZ LYS A 44 179.717 1.210 -18.953 1.00 0.00 N ATOM 0 H LYS A 44 178.424 1.888 -15.606 1.00 0.00 H new ATOM 0 HA LYS A 44 175.700 1.813 -16.482 1.00 0.00 H new ATOM 0 HB2 LYS A 44 176.420 -0.238 -17.647 1.00 0.00 H new ATOM 0 HB3 LYS A 44 177.539 1.082 -17.921 1.00 0.00 H new ATOM 0 HG2 LYS A 44 178.936 0.077 -15.987 1.00 0.00 H new ATOM 0 HG3 LYS A 44 177.920 -1.342 -16.143 1.00 0.00 H new ATOM 0 HD2 LYS A 44 179.626 -1.922 -17.594 1.00 0.00 H new ATOM 0 HD3 LYS A 44 178.536 -1.137 -18.719 1.00 0.00 H new ATOM 0 HE2 LYS A 44 180.736 0.388 -17.285 1.00 0.00 H new ATOM 0 HE3 LYS A 44 181.025 -0.451 -18.796 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 180.471 1.624 -19.537 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 178.936 0.899 -19.565 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 179.368 1.924 -18.282 1.00 0.00 H new ATOM 714 N HIS A 45 176.390 0.195 -13.815 1.00 0.00 N ATOM 715 CA HIS A 45 175.856 -0.676 -12.770 1.00 0.00 C ATOM 716 C HIS A 45 175.567 0.115 -11.488 1.00 0.00 C ATOM 717 O HIS A 45 176.280 -0.020 -10.490 1.00 0.00 O ATOM 718 CB HIS A 45 176.839 -1.815 -12.484 1.00 0.00 C ATOM 719 CG HIS A 45 176.360 -3.158 -12.946 1.00 0.00 C ATOM 720 ND1 HIS A 45 175.707 -3.356 -14.145 1.00 0.00 N ATOM 721 CD2 HIS A 45 176.447 -4.378 -12.362 1.00 0.00 C ATOM 722 CE1 HIS A 45 175.413 -4.637 -14.277 1.00 0.00 C ATOM 723 NE2 HIS A 45 175.852 -5.279 -13.210 1.00 0.00 N ATOM 0 H HIS A 45 177.199 0.747 -13.531 1.00 0.00 H new ATOM 0 HA HIS A 45 174.915 -1.099 -13.123 1.00 0.00 H new ATOM 0 HB2 HIS A 45 177.790 -1.592 -12.969 1.00 0.00 H new ATOM 0 HB3 HIS A 45 177.030 -1.857 -11.412 1.00 0.00 H new ATOM 0 HD1 HIS A 45 175.486 -2.627 -14.823 1.00 0.00 H new ATOM 0 HD2 HIS A 45 176.900 -4.600 -11.407 1.00 0.00 H new ATOM 0 HE1 HIS A 45 174.900 -5.084 -15.116 1.00 0.00 H new ATOM 732 N PRO A 46 174.512 0.958 -11.500 1.00 0.00 N ATOM 733 CA PRO A 46 174.128 1.775 -10.337 1.00 0.00 C ATOM 734 C PRO A 46 173.764 0.926 -9.119 1.00 0.00 C ATOM 735 O PRO A 46 173.201 -0.162 -9.258 1.00 0.00 O ATOM 736 CB PRO A 46 172.899 2.554 -10.825 1.00 0.00 C ATOM 737 CG PRO A 46 172.963 2.494 -12.313 1.00 0.00 C ATOM 738 CD PRO A 46 173.616 1.184 -12.646 1.00 0.00 C ATOM 0 HA PRO A 46 174.950 2.411 -10.008 1.00 0.00 H new ATOM 0 HB2 PRO A 46 171.977 2.108 -10.452 1.00 0.00 H new ATOM 0 HB3 PRO A 46 172.920 3.585 -10.471 1.00 0.00 H new ATOM 0 HG2 PRO A 46 171.966 2.555 -12.749 1.00 0.00 H new ATOM 0 HG3 PRO A 46 173.538 3.329 -12.713 1.00 0.00 H new ATOM 0 HD2 PRO A 46 172.884 0.383 -12.750 1.00 0.00 H new ATOM 0 HD3 PRO A 46 174.167 1.235 -13.585 1.00 0.00 H new ATOM 746 N MET A 47 174.088 1.430 -7.928 1.00 0.00 N ATOM 747 CA MET A 47 173.795 0.716 -6.687 1.00 0.00 C ATOM 748 C MET A 47 173.504 1.688 -5.545 1.00 0.00 C ATOM 749 O MET A 47 174.169 2.716 -5.407 1.00 0.00 O ATOM 750 CB MET A 47 174.965 -0.196 -6.309 1.00 0.00 C ATOM 751 CG MET A 47 174.958 -1.532 -7.035 1.00 0.00 C ATOM 752 SD MET A 47 173.482 -2.507 -6.680 1.00 0.00 S ATOM 753 CE MET A 47 173.648 -3.828 -7.877 1.00 0.00 C ATOM 0 H MET A 47 174.553 2.329 -7.797 1.00 0.00 H new ATOM 0 HA MET A 47 172.906 0.108 -6.854 1.00 0.00 H new ATOM 0 HB2 MET A 47 175.901 0.320 -6.525 1.00 0.00 H new ATOM 0 HB3 MET A 47 174.941 -0.376 -5.234 1.00 0.00 H new ATOM 0 HG2 MET A 47 175.024 -1.358 -8.109 1.00 0.00 H new ATOM 0 HG3 MET A 47 175.842 -2.101 -6.749 1.00 0.00 H new ATOM 0 HE1 MET A 47 172.900 -4.596 -7.678 1.00 0.00 H new ATOM 0 HE2 MET A 47 173.500 -3.430 -8.881 1.00 0.00 H new ATOM 0 HE3 MET A 47 174.644 -4.264 -7.802 1.00 0.00 H new ATOM 763 N ASP A 48 172.508 1.350 -4.726 1.00 0.00 N ATOM 764 CA ASP A 48 172.124 2.184 -3.588 1.00 0.00 C ATOM 765 C ASP A 48 171.663 1.323 -2.415 1.00 0.00 C ATOM 766 O ASP A 48 171.382 0.134 -2.583 1.00 0.00 O ATOM 767 CB ASP A 48 171.005 3.152 -3.985 1.00 0.00 C ATOM 768 CG ASP A 48 171.445 4.161 -5.028 1.00 0.00 C ATOM 769 OD1 ASP A 48 171.974 5.223 -4.641 1.00 0.00 O ATOM 770 OD2 ASP A 48 171.254 3.889 -6.233 1.00 0.00 O ATOM 0 H ASP A 48 171.951 0.502 -4.830 1.00 0.00 H new ATOM 0 HA ASP A 48 173.000 2.756 -3.282 1.00 0.00 H new ATOM 0 HB2 ASP A 48 170.158 2.584 -4.370 1.00 0.00 H new ATOM 0 HB3 ASP A 48 170.657 3.681 -3.098 1.00 0.00 H new ATOM 775 N MET A 49 171.571 1.930 -1.231 1.00 0.00 N ATOM 776 CA MET A 49 171.125 1.212 -0.034 1.00 0.00 C ATOM 777 C MET A 49 169.743 0.599 -0.257 1.00 0.00 C ATOM 778 O MET A 49 169.459 -0.503 0.216 1.00 0.00 O ATOM 779 CB MET A 49 171.091 2.149 1.177 1.00 0.00 C ATOM 780 CG MET A 49 171.734 1.553 2.419 1.00 0.00 C ATOM 781 SD MET A 49 172.297 2.807 3.585 1.00 0.00 S ATOM 782 CE MET A 49 173.627 3.564 2.654 1.00 0.00 C ATOM 0 H MET A 49 171.798 2.912 -1.074 1.00 0.00 H new ATOM 0 HA MET A 49 171.837 0.410 0.163 1.00 0.00 H new ATOM 0 HB2 MET A 49 171.601 3.078 0.923 1.00 0.00 H new ATOM 0 HB3 MET A 49 170.055 2.405 1.400 1.00 0.00 H new ATOM 0 HG2 MET A 49 171.017 0.898 2.915 1.00 0.00 H new ATOM 0 HG3 MET A 49 172.580 0.933 2.123 1.00 0.00 H new ATOM 0 HE1 MET A 49 174.580 3.335 3.130 1.00 0.00 H new ATOM 0 HE2 MET A 49 173.627 3.174 1.636 1.00 0.00 H new ATOM 0 HE3 MET A 49 173.484 4.644 2.628 1.00 0.00 H new ATOM 792 N SER A 50 168.892 1.319 -0.991 1.00 0.00 N ATOM 793 CA SER A 50 167.544 0.850 -1.294 1.00 0.00 C ATOM 794 C SER A 50 167.588 -0.384 -2.195 1.00 0.00 C ATOM 795 O SER A 50 166.804 -1.318 -2.019 1.00 0.00 O ATOM 796 CB SER A 50 166.737 1.959 -1.972 1.00 0.00 C ATOM 797 OG SER A 50 165.344 1.733 -1.840 1.00 0.00 O ATOM 0 H SER A 50 169.117 2.232 -1.386 1.00 0.00 H new ATOM 0 HA SER A 50 167.060 0.578 -0.356 1.00 0.00 H new ATOM 0 HB2 SER A 50 166.995 2.922 -1.531 1.00 0.00 H new ATOM 0 HB3 SER A 50 167.001 2.011 -3.028 1.00 0.00 H new ATOM 0 HG SER A 50 165.168 0.769 -1.836 1.00 0.00 H new ATOM 803 N THR A 51 168.511 -0.382 -3.158 1.00 0.00 N ATOM 804 CA THR A 51 168.661 -1.501 -4.085 1.00 0.00 C ATOM 805 C THR A 51 169.160 -2.750 -3.359 1.00 0.00 C ATOM 806 O THR A 51 168.704 -3.861 -3.635 1.00 0.00 O ATOM 807 CB THR A 51 169.623 -1.134 -5.222 1.00 0.00 C ATOM 808 OG1 THR A 51 169.324 0.152 -5.740 1.00 0.00 O ATOM 809 CG2 THR A 51 169.590 -2.116 -6.376 1.00 0.00 C ATOM 0 H THR A 51 169.166 0.384 -3.315 1.00 0.00 H new ATOM 0 HA THR A 51 167.681 -1.718 -4.509 1.00 0.00 H new ATOM 0 HB THR A 51 170.617 -1.157 -4.776 1.00 0.00 H new ATOM 0 HG1 THR A 51 169.950 0.367 -6.463 1.00 0.00 H new ATOM 0 HG21 THR A 51 170.293 -1.797 -7.145 1.00 0.00 H new ATOM 0 HG22 THR A 51 169.868 -3.107 -6.018 1.00 0.00 H new ATOM 0 HG23 THR A 51 168.585 -2.151 -6.796 1.00 0.00 H new ATOM 817 N ILE A 52 170.095 -2.560 -2.427 1.00 0.00 N ATOM 818 CA ILE A 52 170.650 -3.675 -1.663 1.00 0.00 C ATOM 819 C ILE A 52 169.603 -4.268 -0.721 1.00 0.00 C ATOM 820 O ILE A 52 169.454 -5.487 -0.638 1.00 0.00 O ATOM 821 CB ILE A 52 171.884 -3.241 -0.838 1.00 0.00 C ATOM 822 CG1 ILE A 52 172.902 -2.522 -1.729 1.00 0.00 C ATOM 823 CG2 ILE A 52 172.527 -4.446 -0.164 1.00 0.00 C ATOM 824 CD1 ILE A 52 173.768 -1.531 -0.981 1.00 0.00 C ATOM 0 H ILE A 52 170.482 -1.648 -2.185 1.00 0.00 H new ATOM 0 HA ILE A 52 170.958 -4.431 -2.386 1.00 0.00 H new ATOM 0 HB ILE A 52 171.552 -2.548 -0.065 1.00 0.00 H new ATOM 0 HG12 ILE A 52 173.542 -3.264 -2.206 1.00 0.00 H new ATOM 0 HG13 ILE A 52 172.371 -2.000 -2.525 1.00 0.00 H new ATOM 0 HG21 ILE A 52 173.394 -4.121 0.412 1.00 0.00 H new ATOM 0 HG22 ILE A 52 171.805 -4.919 0.502 1.00 0.00 H new ATOM 0 HG23 ILE A 52 172.843 -5.162 -0.923 1.00 0.00 H new ATOM 0 HD11 ILE A 52 174.465 -1.060 -1.675 1.00 0.00 H new ATOM 0 HD12 ILE A 52 173.137 -0.767 -0.526 1.00 0.00 H new ATOM 0 HD13 ILE A 52 174.327 -2.051 -0.203 1.00 0.00 H new ATOM 836 N LYS A 53 168.874 -3.402 -0.018 1.00 0.00 N ATOM 837 CA LYS A 53 167.839 -3.854 0.910 1.00 0.00 C ATOM 838 C LYS A 53 166.691 -4.533 0.166 1.00 0.00 C ATOM 839 O LYS A 53 166.103 -5.490 0.669 1.00 0.00 O ATOM 840 CB LYS A 53 167.303 -2.682 1.736 1.00 0.00 C ATOM 841 CG LYS A 53 168.044 -2.475 3.048 1.00 0.00 C ATOM 842 CD LYS A 53 167.807 -1.084 3.616 1.00 0.00 C ATOM 843 CE LYS A 53 166.342 -0.861 3.966 1.00 0.00 C ATOM 844 NZ LYS A 53 166.177 -0.158 5.271 1.00 0.00 N ATOM 0 H LYS A 53 168.980 -2.389 -0.073 1.00 0.00 H new ATOM 0 HA LYS A 53 168.294 -4.582 1.582 1.00 0.00 H new ATOM 0 HB2 LYS A 53 167.369 -1.770 1.143 1.00 0.00 H new ATOM 0 HB3 LYS A 53 166.247 -2.850 1.947 1.00 0.00 H new ATOM 0 HG2 LYS A 53 167.719 -3.223 3.771 1.00 0.00 H new ATOM 0 HG3 LYS A 53 169.112 -2.626 2.890 1.00 0.00 H new ATOM 0 HD2 LYS A 53 168.419 -0.946 4.507 1.00 0.00 H new ATOM 0 HD3 LYS A 53 168.126 -0.335 2.891 1.00 0.00 H new ATOM 0 HE2 LYS A 53 165.866 -0.277 3.178 1.00 0.00 H new ATOM 0 HE3 LYS A 53 165.829 -1.822 4.005 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 165.966 -0.853 6.015 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 167.055 0.346 5.507 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 165.395 0.524 5.202 1.00 0.00 H new ATOM 858 N SER A 54 166.379 -4.036 -1.034 1.00 0.00 N ATOM 859 CA SER A 54 165.300 -4.600 -1.844 1.00 0.00 C ATOM 860 C SER A 54 165.541 -6.085 -2.119 1.00 0.00 C ATOM 861 O SER A 54 164.619 -6.896 -2.021 1.00 0.00 O ATOM 862 CB SER A 54 165.164 -3.835 -3.164 1.00 0.00 C ATOM 863 OG SER A 54 163.898 -4.061 -3.760 1.00 0.00 O ATOM 0 H SER A 54 166.859 -3.245 -1.464 1.00 0.00 H new ATOM 0 HA SER A 54 164.371 -4.501 -1.282 1.00 0.00 H new ATOM 0 HB2 SER A 54 165.299 -2.768 -2.985 1.00 0.00 H new ATOM 0 HB3 SER A 54 165.952 -4.145 -3.850 1.00 0.00 H new ATOM 0 HG SER A 54 163.838 -3.560 -4.600 1.00 0.00 H new ATOM 869 N LYS A 55 166.786 -6.439 -2.446 1.00 0.00 N ATOM 870 CA LYS A 55 167.140 -7.833 -2.713 1.00 0.00 C ATOM 871 C LYS A 55 166.866 -8.686 -1.476 1.00 0.00 C ATOM 872 O LYS A 55 166.242 -9.743 -1.563 1.00 0.00 O ATOM 873 CB LYS A 55 168.614 -7.949 -3.120 1.00 0.00 C ATOM 874 CG LYS A 55 168.818 -8.471 -4.534 1.00 0.00 C ATOM 875 CD LYS A 55 168.904 -7.337 -5.545 1.00 0.00 C ATOM 876 CE LYS A 55 169.752 -7.724 -6.748 1.00 0.00 C ATOM 877 NZ LYS A 55 168.943 -8.374 -7.817 1.00 0.00 N ATOM 0 H LYS A 55 167.562 -5.782 -2.532 1.00 0.00 H new ATOM 0 HA LYS A 55 166.527 -8.195 -3.538 1.00 0.00 H new ATOM 0 HB2 LYS A 55 169.084 -6.970 -3.032 1.00 0.00 H new ATOM 0 HB3 LYS A 55 169.124 -8.611 -2.420 1.00 0.00 H new ATOM 0 HG2 LYS A 55 169.731 -9.065 -4.575 1.00 0.00 H new ATOM 0 HG3 LYS A 55 167.995 -9.134 -4.800 1.00 0.00 H new ATOM 0 HD2 LYS A 55 167.901 -7.068 -5.877 1.00 0.00 H new ATOM 0 HD3 LYS A 55 169.330 -6.454 -5.068 1.00 0.00 H new ATOM 0 HE2 LYS A 55 170.237 -6.835 -7.151 1.00 0.00 H new ATOM 0 HE3 LYS A 55 170.544 -8.402 -6.430 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 169.577 -8.845 -8.494 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 168.307 -9.078 -7.391 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 168.380 -7.654 -8.313 1.00 0.00 H new ATOM 891 N LEU A 56 167.326 -8.204 -0.322 1.00 0.00 N ATOM 892 CA LEU A 56 167.123 -8.900 0.947 1.00 0.00 C ATOM 893 C LEU A 56 165.628 -9.006 1.274 1.00 0.00 C ATOM 894 O LEU A 56 165.181 -10.000 1.849 1.00 0.00 O ATOM 895 CB LEU A 56 167.880 -8.165 2.067 1.00 0.00 C ATOM 896 CG LEU A 56 167.326 -8.333 3.488 1.00 0.00 C ATOM 897 CD1 LEU A 56 167.424 -9.784 3.943 1.00 0.00 C ATOM 898 CD2 LEU A 56 168.074 -7.423 4.454 1.00 0.00 C ATOM 0 H LEU A 56 167.844 -7.329 -0.241 1.00 0.00 H new ATOM 0 HA LEU A 56 167.517 -9.913 0.864 1.00 0.00 H new ATOM 0 HB2 LEU A 56 168.915 -8.507 2.061 1.00 0.00 H new ATOM 0 HB3 LEU A 56 167.894 -7.101 1.829 1.00 0.00 H new ATOM 0 HG LEU A 56 166.273 -8.051 3.480 1.00 0.00 H new ATOM 0 HD11 LEU A 56 167.025 -9.876 4.953 1.00 0.00 H new ATOM 0 HD12 LEU A 56 166.850 -10.417 3.267 1.00 0.00 H new ATOM 0 HD13 LEU A 56 168.468 -10.098 3.935 1.00 0.00 H new ATOM 0 HD21 LEU A 56 167.672 -7.551 5.459 1.00 0.00 H new ATOM 0 HD22 LEU A 56 169.133 -7.681 4.451 1.00 0.00 H new ATOM 0 HD23 LEU A 56 167.953 -6.385 4.144 1.00 0.00 H new ATOM 910 N GLU A 57 164.861 -7.979 0.895 1.00 0.00 N ATOM 911 CA GLU A 57 163.418 -7.955 1.139 1.00 0.00 C ATOM 912 C GLU A 57 162.711 -9.090 0.399 1.00 0.00 C ATOM 913 O GLU A 57 161.809 -9.727 0.943 1.00 0.00 O ATOM 914 CB GLU A 57 162.821 -6.611 0.707 1.00 0.00 C ATOM 915 CG GLU A 57 163.248 -5.443 1.582 1.00 0.00 C ATOM 916 CD GLU A 57 162.082 -4.581 2.032 1.00 0.00 C ATOM 917 OE1 GLU A 57 161.049 -5.146 2.453 1.00 0.00 O ATOM 918 OE2 GLU A 57 162.205 -3.340 1.969 1.00 0.00 O ATOM 0 H GLU A 57 165.218 -7.152 0.417 1.00 0.00 H new ATOM 0 HA GLU A 57 163.264 -8.090 2.210 1.00 0.00 H new ATOM 0 HB2 GLU A 57 163.114 -6.408 -0.323 1.00 0.00 H new ATOM 0 HB3 GLU A 57 161.734 -6.685 0.721 1.00 0.00 H new ATOM 0 HG2 GLU A 57 163.770 -5.825 2.459 1.00 0.00 H new ATOM 0 HG3 GLU A 57 163.958 -4.825 1.033 1.00 0.00 H new ATOM 925 N ALA A 58 163.125 -9.339 -0.846 1.00 0.00 N ATOM 926 CA ALA A 58 162.524 -10.399 -1.658 1.00 0.00 C ATOM 927 C ALA A 58 163.253 -11.741 -1.492 1.00 0.00 C ATOM 928 O ALA A 58 163.065 -12.655 -2.299 1.00 0.00 O ATOM 929 CB ALA A 58 162.498 -9.986 -3.125 1.00 0.00 C ATOM 0 H ALA A 58 163.871 -8.823 -1.312 1.00 0.00 H new ATOM 0 HA ALA A 58 161.503 -10.542 -1.305 1.00 0.00 H new ATOM 0 HB1 ALA A 58 162.049 -10.782 -3.719 1.00 0.00 H new ATOM 0 HB2 ALA A 58 161.910 -9.075 -3.236 1.00 0.00 H new ATOM 0 HB3 ALA A 58 163.516 -9.806 -3.470 1.00 0.00 H new ATOM 935 N ARG A 59 164.083 -11.858 -0.449 1.00 0.00 N ATOM 936 CA ARG A 59 164.838 -13.088 -0.186 1.00 0.00 C ATOM 937 C ARG A 59 165.764 -13.438 -1.357 1.00 0.00 C ATOM 938 O ARG A 59 166.081 -14.607 -1.580 1.00 0.00 O ATOM 939 CB ARG A 59 163.884 -14.257 0.106 1.00 0.00 C ATOM 940 CG ARG A 59 164.562 -15.455 0.761 1.00 0.00 C ATOM 941 CD ARG A 59 164.435 -15.420 2.278 1.00 0.00 C ATOM 942 NE ARG A 59 163.281 -16.185 2.757 1.00 0.00 N ATOM 943 CZ ARG A 59 163.145 -16.630 4.011 1.00 0.00 C ATOM 944 NH1 ARG A 59 164.085 -16.388 4.922 1.00 0.00 N ATOM 945 NH2 ARG A 59 162.063 -17.320 4.356 1.00 0.00 N ATOM 0 H ARG A 59 164.249 -11.113 0.228 1.00 0.00 H new ATOM 0 HA ARG A 59 165.458 -12.912 0.693 1.00 0.00 H new ATOM 0 HB2 ARG A 59 163.082 -13.906 0.755 1.00 0.00 H new ATOM 0 HB3 ARG A 59 163.422 -14.578 -0.827 1.00 0.00 H new ATOM 0 HG2 ARG A 59 164.119 -16.376 0.381 1.00 0.00 H new ATOM 0 HG3 ARG A 59 165.616 -15.471 0.485 1.00 0.00 H new ATOM 0 HD2 ARG A 59 165.345 -15.820 2.726 1.00 0.00 H new ATOM 0 HD3 ARG A 59 164.345 -14.385 2.609 1.00 0.00 H new ATOM 0 HE ARG A 59 162.535 -16.391 2.093 1.00 0.00 H new ATOM 0 HH11 ARG A 59 164.919 -15.859 4.666 1.00 0.00 H new ATOM 0 HH12 ARG A 59 163.972 -16.732 5.876 1.00 0.00 H new ATOM 0 HH21 ARG A 59 161.337 -17.510 3.665 1.00 0.00 H new ATOM 0 HH22 ARG A 59 161.958 -17.660 5.312 1.00 0.00 H new ATOM 959 N GLU A 60 166.210 -12.417 -2.093 1.00 0.00 N ATOM 960 CA GLU A 60 167.111 -12.625 -3.225 1.00 0.00 C ATOM 961 C GLU A 60 168.515 -12.984 -2.734 1.00 0.00 C ATOM 962 O GLU A 60 169.219 -13.773 -3.367 1.00 0.00 O ATOM 963 CB GLU A 60 167.168 -11.374 -4.109 1.00 0.00 C ATOM 964 CG GLU A 60 165.914 -11.146 -4.944 1.00 0.00 C ATOM 965 CD GLU A 60 166.137 -10.165 -6.083 1.00 0.00 C ATOM 966 OE1 GLU A 60 167.112 -10.346 -6.846 1.00 0.00 O ATOM 967 OE2 GLU A 60 165.338 -9.214 -6.212 1.00 0.00 O ATOM 0 H GLU A 60 165.962 -11.442 -1.925 1.00 0.00 H new ATOM 0 HA GLU A 60 166.724 -13.453 -3.818 1.00 0.00 H new ATOM 0 HB2 GLU A 60 167.334 -10.502 -3.476 1.00 0.00 H new ATOM 0 HB3 GLU A 60 168.027 -11.452 -4.776 1.00 0.00 H new ATOM 0 HG2 GLU A 60 165.576 -12.099 -5.352 1.00 0.00 H new ATOM 0 HG3 GLU A 60 165.117 -10.774 -4.300 1.00 0.00 H new ATOM 974 N TYR A 61 168.908 -12.407 -1.594 1.00 0.00 N ATOM 975 CA TYR A 61 170.218 -12.674 -1.004 1.00 0.00 C ATOM 976 C TYR A 61 170.255 -14.072 -0.397 1.00 0.00 C ATOM 977 O TYR A 61 169.714 -14.302 0.687 1.00 0.00 O ATOM 978 CB TYR A 61 170.546 -11.631 0.071 1.00 0.00 C ATOM 979 CG TYR A 61 171.147 -10.354 -0.478 1.00 0.00 C ATOM 980 CD1 TYR A 61 172.159 -10.390 -1.431 1.00 0.00 C ATOM 981 CD2 TYR A 61 170.699 -9.113 -0.044 1.00 0.00 C ATOM 982 CE1 TYR A 61 172.706 -9.226 -1.935 1.00 0.00 C ATOM 983 CE2 TYR A 61 171.241 -7.946 -0.544 1.00 0.00 C ATOM 984 CZ TYR A 61 172.243 -8.008 -1.490 1.00 0.00 C ATOM 985 OH TYR A 61 172.784 -6.846 -1.989 1.00 0.00 O ATOM 0 H TYR A 61 168.335 -11.752 -1.063 1.00 0.00 H new ATOM 0 HA TYR A 61 170.966 -12.613 -1.794 1.00 0.00 H new ATOM 0 HB2 TYR A 61 169.635 -11.387 0.617 1.00 0.00 H new ATOM 0 HB3 TYR A 61 171.240 -12.069 0.789 1.00 0.00 H new ATOM 0 HD1 TYR A 61 172.523 -11.344 -1.783 1.00 0.00 H new ATOM 0 HD2 TYR A 61 169.914 -9.060 0.696 1.00 0.00 H new ATOM 0 HE1 TYR A 61 173.492 -9.271 -2.674 1.00 0.00 H new ATOM 0 HE2 TYR A 61 170.882 -6.989 -0.196 1.00 0.00 H new ATOM 0 HH TYR A 61 172.941 -6.945 -2.951 1.00 0.00 H new ATOM 995 N ARG A 62 170.895 -15.004 -1.101 1.00 0.00 N ATOM 996 CA ARG A 62 171.003 -16.383 -0.630 1.00 0.00 C ATOM 997 C ARG A 62 171.879 -16.474 0.622 1.00 0.00 C ATOM 998 O ARG A 62 171.677 -17.352 1.462 1.00 0.00 O ATOM 999 CB ARG A 62 171.570 -17.280 -1.735 1.00 0.00 C ATOM 1000 CG ARG A 62 171.310 -18.763 -1.511 1.00 0.00 C ATOM 1001 CD ARG A 62 172.154 -19.623 -2.437 1.00 0.00 C ATOM 1002 NE ARG A 62 171.790 -21.040 -2.363 1.00 0.00 N ATOM 1003 CZ ARG A 62 172.535 -22.030 -2.863 1.00 0.00 C ATOM 1004 NH1 ARG A 62 173.685 -21.764 -3.478 1.00 0.00 N ATOM 1005 NH2 ARG A 62 172.129 -23.290 -2.749 1.00 0.00 N ATOM 0 H ARG A 62 171.346 -14.829 -1.999 1.00 0.00 H new ATOM 0 HA ARG A 62 170.002 -16.727 -0.370 1.00 0.00 H new ATOM 0 HB2 ARG A 62 171.136 -16.984 -2.690 1.00 0.00 H new ATOM 0 HB3 ARG A 62 172.645 -17.115 -1.809 1.00 0.00 H new ATOM 0 HG2 ARG A 62 171.529 -19.019 -0.474 1.00 0.00 H new ATOM 0 HG3 ARG A 62 170.254 -18.977 -1.676 1.00 0.00 H new ATOM 0 HD2 ARG A 62 172.036 -19.273 -3.462 1.00 0.00 H new ATOM 0 HD3 ARG A 62 173.207 -19.506 -2.179 1.00 0.00 H new ATOM 0 HE ARG A 62 170.914 -21.286 -1.902 1.00 0.00 H new ATOM 0 HH11 ARG A 62 174.003 -20.799 -3.570 1.00 0.00 H new ATOM 0 HH12 ARG A 62 174.248 -22.525 -3.857 1.00 0.00 H new ATOM 0 HH21 ARG A 62 171.248 -23.502 -2.280 1.00 0.00 H new ATOM 0 HH22 ARG A 62 172.698 -24.046 -3.131 1.00 0.00 H new ATOM 1019 N ASP A 63 172.849 -15.564 0.744 1.00 0.00 N ATOM 1020 CA ASP A 63 173.748 -15.551 1.898 1.00 0.00 C ATOM 1021 C ASP A 63 174.335 -14.157 2.129 1.00 0.00 C ATOM 1022 O ASP A 63 174.068 -13.225 1.367 1.00 0.00 O ATOM 1023 CB ASP A 63 174.878 -16.575 1.709 1.00 0.00 C ATOM 1024 CG ASP A 63 175.544 -16.472 0.348 1.00 0.00 C ATOM 1025 OD1 ASP A 63 175.972 -15.361 -0.025 1.00 0.00 O ATOM 1026 OD2 ASP A 63 175.639 -17.505 -0.345 1.00 0.00 O ATOM 0 H ASP A 63 173.031 -14.830 0.060 1.00 0.00 H new ATOM 0 HA ASP A 63 173.165 -15.824 2.778 1.00 0.00 H new ATOM 0 HB2 ASP A 63 175.627 -16.430 2.487 1.00 0.00 H new ATOM 0 HB3 ASP A 63 174.476 -17.580 1.837 1.00 0.00 H new ATOM 1031 N ALA A 64 175.141 -14.028 3.186 1.00 0.00 N ATOM 1032 CA ALA A 64 175.776 -12.754 3.528 1.00 0.00 C ATOM 1033 C ALA A 64 176.879 -12.389 2.533 1.00 0.00 C ATOM 1034 O ALA A 64 177.195 -11.211 2.354 1.00 0.00 O ATOM 1035 CB ALA A 64 176.340 -12.807 4.942 1.00 0.00 C ATOM 0 H ALA A 64 175.369 -14.793 3.821 1.00 0.00 H new ATOM 0 HA ALA A 64 175.011 -11.979 3.477 1.00 0.00 H new ATOM 0 HB1 ALA A 64 176.809 -11.853 5.183 1.00 0.00 H new ATOM 0 HB2 ALA A 64 175.533 -13.003 5.648 1.00 0.00 H new ATOM 0 HB3 ALA A 64 177.082 -13.603 5.008 1.00 0.00 H new ATOM 1041 N GLN A 65 177.456 -13.402 1.881 1.00 0.00 N ATOM 1042 CA GLN A 65 178.515 -13.180 0.900 1.00 0.00 C ATOM 1043 C GLN A 65 177.983 -12.363 -0.278 1.00 0.00 C ATOM 1044 O GLN A 65 178.649 -11.446 -0.761 1.00 0.00 O ATOM 1045 CB GLN A 65 179.075 -14.518 0.406 1.00 0.00 C ATOM 1046 CG GLN A 65 180.262 -14.372 -0.532 1.00 0.00 C ATOM 1047 CD GLN A 65 179.842 -14.316 -1.987 1.00 0.00 C ATOM 1048 OE1 GLN A 65 180.028 -13.302 -2.660 1.00 0.00 O ATOM 1049 NE2 GLN A 65 179.270 -15.410 -2.480 1.00 0.00 N ATOM 0 H GLN A 65 177.206 -14.382 2.016 1.00 0.00 H new ATOM 0 HA GLN A 65 179.320 -12.622 1.379 1.00 0.00 H new ATOM 0 HB2 GLN A 65 179.374 -15.117 1.266 1.00 0.00 H new ATOM 0 HB3 GLN A 65 178.284 -15.067 -0.105 1.00 0.00 H new ATOM 0 HG2 GLN A 65 180.812 -13.465 -0.280 1.00 0.00 H new ATOM 0 HG3 GLN A 65 180.944 -15.210 -0.385 1.00 0.00 H new ATOM 0 HE21 GLN A 65 179.136 -16.228 -1.885 1.00 0.00 H new ATOM 0 HE22 GLN A 65 178.965 -15.432 -3.453 1.00 0.00 H new ATOM 1058 N GLU A 66 176.772 -12.697 -0.721 1.00 0.00 N ATOM 1059 CA GLU A 66 176.129 -11.997 -1.827 1.00 0.00 C ATOM 1060 C GLU A 66 175.837 -10.542 -1.453 1.00 0.00 C ATOM 1061 O GLU A 66 175.970 -9.641 -2.284 1.00 0.00 O ATOM 1062 CB GLU A 66 174.832 -12.715 -2.207 1.00 0.00 C ATOM 1063 CG GLU A 66 174.256 -12.284 -3.546 1.00 0.00 C ATOM 1064 CD GLU A 66 172.882 -12.876 -3.806 1.00 0.00 C ATOM 1065 OE1 GLU A 66 172.734 -14.112 -3.694 1.00 0.00 O ATOM 1066 OE2 GLU A 66 171.953 -12.102 -4.117 1.00 0.00 O ATOM 0 H GLU A 66 176.214 -13.454 -0.326 1.00 0.00 H new ATOM 0 HA GLU A 66 176.806 -11.999 -2.682 1.00 0.00 H new ATOM 0 HB2 GLU A 66 175.017 -13.789 -2.231 1.00 0.00 H new ATOM 0 HB3 GLU A 66 174.089 -12.537 -1.429 1.00 0.00 H new ATOM 0 HG2 GLU A 66 174.191 -11.196 -3.577 1.00 0.00 H new ATOM 0 HG3 GLU A 66 174.935 -12.585 -4.344 1.00 0.00 H new ATOM 1073 N PHE A 67 175.446 -10.319 -0.195 1.00 0.00 N ATOM 1074 CA PHE A 67 175.143 -8.974 0.295 1.00 0.00 C ATOM 1075 C PHE A 67 176.359 -8.062 0.162 1.00 0.00 C ATOM 1076 O PHE A 67 176.268 -6.971 -0.403 1.00 0.00 O ATOM 1077 CB PHE A 67 174.686 -9.023 1.758 1.00 0.00 C ATOM 1078 CG PHE A 67 174.130 -7.718 2.261 1.00 0.00 C ATOM 1079 CD1 PHE A 67 174.976 -6.683 2.628 1.00 0.00 C ATOM 1080 CD2 PHE A 67 172.762 -7.527 2.364 1.00 0.00 C ATOM 1081 CE1 PHE A 67 174.467 -5.484 3.087 1.00 0.00 C ATOM 1082 CE2 PHE A 67 172.247 -6.330 2.823 1.00 0.00 C ATOM 1083 CZ PHE A 67 173.101 -5.306 3.184 1.00 0.00 C ATOM 0 H PHE A 67 175.332 -11.055 0.502 1.00 0.00 H new ATOM 0 HA PHE A 67 174.335 -8.569 -0.314 1.00 0.00 H new ATOM 0 HB2 PHE A 67 173.927 -9.797 1.867 1.00 0.00 H new ATOM 0 HB3 PHE A 67 175.530 -9.314 2.384 1.00 0.00 H new ATOM 0 HD1 PHE A 67 176.045 -6.816 2.554 1.00 0.00 H new ATOM 0 HD2 PHE A 67 172.090 -8.324 2.082 1.00 0.00 H new ATOM 0 HE1 PHE A 67 175.137 -4.686 3.370 1.00 0.00 H new ATOM 0 HE2 PHE A 67 171.178 -6.195 2.899 1.00 0.00 H new ATOM 0 HZ PHE A 67 172.701 -4.368 3.541 1.00 0.00 H new ATOM 1093 N GLY A 68 177.498 -8.520 0.684 1.00 0.00 N ATOM 1094 CA GLY A 68 178.722 -7.740 0.613 1.00 0.00 C ATOM 1095 C GLY A 68 179.163 -7.469 -0.817 1.00 0.00 C ATOM 1096 O GLY A 68 179.756 -6.426 -1.097 1.00 0.00 O ATOM 0 H GLY A 68 177.593 -9.420 1.155 1.00 0.00 H new ATOM 0 HA2 GLY A 68 178.574 -6.791 1.129 1.00 0.00 H new ATOM 0 HA3 GLY A 68 179.516 -8.269 1.140 1.00 0.00 H new ATOM 1100 N ALA A 69 178.866 -8.406 -1.722 1.00 0.00 N ATOM 1101 CA ALA A 69 179.229 -8.265 -3.133 1.00 0.00 C ATOM 1102 C ALA A 69 178.609 -7.006 -3.744 1.00 0.00 C ATOM 1103 O ALA A 69 179.250 -6.311 -4.534 1.00 0.00 O ATOM 1104 CB ALA A 69 178.798 -9.499 -3.917 1.00 0.00 C ATOM 0 H ALA A 69 178.374 -9.272 -1.501 1.00 0.00 H new ATOM 0 HA ALA A 69 180.313 -8.168 -3.191 1.00 0.00 H new ATOM 0 HB1 ALA A 69 179.075 -9.379 -4.965 1.00 0.00 H new ATOM 0 HB2 ALA A 69 179.293 -10.380 -3.509 1.00 0.00 H new ATOM 0 HB3 ALA A 69 177.718 -9.621 -3.839 1.00 0.00 H new ATOM 1110 N ASP A 70 177.364 -6.712 -3.370 1.00 0.00 N ATOM 1111 CA ASP A 70 176.667 -5.532 -3.880 1.00 0.00 C ATOM 1112 C ASP A 70 177.163 -4.257 -3.193 1.00 0.00 C ATOM 1113 O ASP A 70 177.208 -3.192 -3.810 1.00 0.00 O ATOM 1114 CB ASP A 70 175.154 -5.673 -3.686 1.00 0.00 C ATOM 1115 CG ASP A 70 174.505 -6.493 -4.783 1.00 0.00 C ATOM 1116 OD1 ASP A 70 174.493 -6.031 -5.942 1.00 0.00 O ATOM 1117 OD2 ASP A 70 174.008 -7.597 -4.485 1.00 0.00 O ATOM 0 H ASP A 70 176.818 -7.274 -2.717 1.00 0.00 H new ATOM 0 HA ASP A 70 176.883 -5.456 -4.946 1.00 0.00 H new ATOM 0 HB2 ASP A 70 174.956 -6.140 -2.721 1.00 0.00 H new ATOM 0 HB3 ASP A 70 174.700 -4.682 -3.659 1.00 0.00 H new ATOM 1122 N VAL A 71 177.537 -4.370 -1.918 1.00 0.00 N ATOM 1123 CA VAL A 71 178.030 -3.221 -1.163 1.00 0.00 C ATOM 1124 C VAL A 71 179.377 -2.751 -1.709 1.00 0.00 C ATOM 1125 O VAL A 71 179.584 -1.556 -1.924 1.00 0.00 O ATOM 1126 CB VAL A 71 178.177 -3.539 0.341 1.00 0.00 C ATOM 1127 CG1 VAL A 71 178.580 -2.290 1.112 1.00 0.00 C ATOM 1128 CG2 VAL A 71 176.887 -4.128 0.901 1.00 0.00 C ATOM 0 H VAL A 71 177.508 -5.242 -1.390 1.00 0.00 H new ATOM 0 HA VAL A 71 177.290 -2.429 -1.278 1.00 0.00 H new ATOM 0 HB VAL A 71 178.964 -4.284 0.457 1.00 0.00 H new ATOM 0 HG11 VAL A 71 178.679 -2.532 2.170 1.00 0.00 H new ATOM 0 HG12 VAL A 71 179.533 -1.920 0.733 1.00 0.00 H new ATOM 0 HG13 VAL A 71 177.817 -1.522 0.985 1.00 0.00 H new ATOM 0 HG21 VAL A 71 177.016 -4.343 1.962 1.00 0.00 H new ATOM 0 HG22 VAL A 71 176.074 -3.413 0.772 1.00 0.00 H new ATOM 0 HG23 VAL A 71 176.647 -5.049 0.370 1.00 0.00 H new ATOM 1138 N ARG A 72 180.287 -3.701 -1.935 1.00 0.00 N ATOM 1139 CA ARG A 72 181.614 -3.385 -2.463 1.00 0.00 C ATOM 1140 C ARG A 72 181.508 -2.688 -3.821 1.00 0.00 C ATOM 1141 O ARG A 72 182.284 -1.781 -4.122 1.00 0.00 O ATOM 1142 CB ARG A 72 182.465 -4.656 -2.585 1.00 0.00 C ATOM 1143 CG ARG A 72 181.836 -5.735 -3.453 1.00 0.00 C ATOM 1144 CD ARG A 72 182.648 -7.020 -3.435 1.00 0.00 C ATOM 1145 NE ARG A 72 182.507 -7.769 -4.684 1.00 0.00 N ATOM 1146 CZ ARG A 72 182.782 -9.069 -4.817 1.00 0.00 C ATOM 1147 NH1 ARG A 72 183.218 -9.780 -3.779 1.00 0.00 N ATOM 1148 NH2 ARG A 72 182.619 -9.660 -5.995 1.00 0.00 N ATOM 0 H ARG A 72 180.129 -4.693 -1.761 1.00 0.00 H new ATOM 0 HA ARG A 72 182.101 -2.705 -1.764 1.00 0.00 H new ATOM 0 HB2 ARG A 72 183.438 -4.392 -2.998 1.00 0.00 H new ATOM 0 HB3 ARG A 72 182.641 -5.061 -1.589 1.00 0.00 H new ATOM 0 HG2 ARG A 72 180.824 -5.940 -3.102 1.00 0.00 H new ATOM 0 HG3 ARG A 72 181.751 -5.373 -4.478 1.00 0.00 H new ATOM 0 HD2 ARG A 72 183.699 -6.784 -3.270 1.00 0.00 H new ATOM 0 HD3 ARG A 72 182.326 -7.642 -2.600 1.00 0.00 H new ATOM 0 HE ARG A 72 182.177 -7.265 -5.507 1.00 0.00 H new ATOM 0 HH11 ARG A 72 183.345 -9.332 -2.871 1.00 0.00 H new ATOM 0 HH12 ARG A 72 183.425 -10.772 -3.892 1.00 0.00 H new ATOM 0 HH21 ARG A 72 182.285 -9.121 -6.794 1.00 0.00 H new ATOM 0 HH22 ARG A 72 182.828 -10.653 -6.101 1.00 0.00 H new ATOM 1162 N LEU A 73 180.535 -3.112 -4.632 1.00 0.00 N ATOM 1163 CA LEU A 73 180.321 -2.522 -5.952 1.00 0.00 C ATOM 1164 C LEU A 73 179.726 -1.119 -5.825 1.00 0.00 C ATOM 1165 O LEU A 73 180.131 -0.197 -6.537 1.00 0.00 O ATOM 1166 CB LEU A 73 179.397 -3.410 -6.792 1.00 0.00 C ATOM 1167 CG LEU A 73 179.514 -3.223 -8.309 1.00 0.00 C ATOM 1168 CD1 LEU A 73 180.308 -4.364 -8.931 1.00 0.00 C ATOM 1169 CD2 LEU A 73 178.133 -3.122 -8.944 1.00 0.00 C ATOM 0 H LEU A 73 179.884 -3.861 -4.396 1.00 0.00 H new ATOM 0 HA LEU A 73 181.287 -2.447 -6.452 1.00 0.00 H new ATOM 0 HB2 LEU A 73 179.606 -4.453 -6.553 1.00 0.00 H new ATOM 0 HB3 LEU A 73 178.366 -3.216 -6.497 1.00 0.00 H new ATOM 0 HG LEU A 73 180.048 -2.292 -8.499 1.00 0.00 H new ATOM 0 HD11 LEU A 73 180.380 -4.213 -10.008 1.00 0.00 H new ATOM 0 HD12 LEU A 73 181.309 -4.388 -8.500 1.00 0.00 H new ATOM 0 HD13 LEU A 73 179.804 -5.310 -8.730 1.00 0.00 H new ATOM 0 HD21 LEU A 73 178.237 -2.990 -10.021 1.00 0.00 H new ATOM 0 HD22 LEU A 73 177.572 -4.035 -8.743 1.00 0.00 H new ATOM 0 HD23 LEU A 73 177.600 -2.269 -8.523 1.00 0.00 H new ATOM 1181 N MET A 74 178.766 -0.967 -4.910 1.00 0.00 N ATOM 1182 CA MET A 74 178.112 0.320 -4.680 1.00 0.00 C ATOM 1183 C MET A 74 179.113 1.368 -4.201 1.00 0.00 C ATOM 1184 O MET A 74 179.133 2.491 -4.704 1.00 0.00 O ATOM 1185 CB MET A 74 176.993 0.171 -3.646 1.00 0.00 C ATOM 1186 CG MET A 74 176.087 1.387 -3.549 1.00 0.00 C ATOM 1187 SD MET A 74 176.644 2.574 -2.311 1.00 0.00 S ATOM 1188 CE MET A 74 176.369 1.649 -0.802 1.00 0.00 C ATOM 0 H MET A 74 178.425 -1.722 -4.316 1.00 0.00 H new ATOM 0 HA MET A 74 177.688 0.652 -5.628 1.00 0.00 H new ATOM 0 HB2 MET A 74 176.390 -0.701 -3.899 1.00 0.00 H new ATOM 0 HB3 MET A 74 177.436 -0.020 -2.669 1.00 0.00 H new ATOM 0 HG2 MET A 74 176.039 1.878 -4.521 1.00 0.00 H new ATOM 0 HG3 MET A 74 175.075 1.063 -3.306 1.00 0.00 H new ATOM 0 HE1 MET A 74 176.232 2.341 0.029 1.00 0.00 H new ATOM 0 HE2 MET A 74 175.477 1.031 -0.911 1.00 0.00 H new ATOM 0 HE3 MET A 74 177.230 1.011 -0.604 1.00 0.00 H new ATOM 1198 N PHE A 75 179.942 0.991 -3.230 1.00 0.00 N ATOM 1199 CA PHE A 75 180.947 1.900 -2.686 1.00 0.00 C ATOM 1200 C PHE A 75 182.007 2.236 -3.733 1.00 0.00 C ATOM 1201 O PHE A 75 182.508 3.361 -3.775 1.00 0.00 O ATOM 1202 CB PHE A 75 181.611 1.291 -1.448 1.00 0.00 C ATOM 1203 CG PHE A 75 181.030 1.786 -0.154 1.00 0.00 C ATOM 1204 CD1 PHE A 75 181.322 3.060 0.308 1.00 0.00 C ATOM 1205 CD2 PHE A 75 180.192 0.979 0.599 1.00 0.00 C ATOM 1206 CE1 PHE A 75 180.789 3.519 1.497 1.00 0.00 C ATOM 1207 CE2 PHE A 75 179.656 1.434 1.788 1.00 0.00 C ATOM 1208 CZ PHE A 75 179.954 2.705 2.238 1.00 0.00 C ATOM 0 H PHE A 75 179.937 0.064 -2.805 1.00 0.00 H new ATOM 0 HA PHE A 75 180.441 2.822 -2.399 1.00 0.00 H new ATOM 0 HB2 PHE A 75 181.514 0.206 -1.490 1.00 0.00 H new ATOM 0 HB3 PHE A 75 182.677 1.517 -1.469 1.00 0.00 H new ATOM 0 HD1 PHE A 75 181.973 3.701 -0.268 1.00 0.00 H new ATOM 0 HD2 PHE A 75 179.956 -0.016 0.253 1.00 0.00 H new ATOM 0 HE1 PHE A 75 181.025 4.513 1.847 1.00 0.00 H new ATOM 0 HE2 PHE A 75 179.004 0.796 2.366 1.00 0.00 H new ATOM 0 HZ PHE A 75 179.535 3.062 3.167 1.00 0.00 H new ATOM 1218 N SER A 76 182.341 1.256 -4.576 1.00 0.00 N ATOM 1219 CA SER A 76 183.343 1.453 -5.622 1.00 0.00 C ATOM 1220 C SER A 76 182.929 2.574 -6.578 1.00 0.00 C ATOM 1221 O SER A 76 183.729 3.460 -6.881 1.00 0.00 O ATOM 1222 CB SER A 76 183.568 0.153 -6.401 1.00 0.00 C ATOM 1223 OG SER A 76 184.384 0.374 -7.539 1.00 0.00 O ATOM 0 H SER A 76 181.933 0.322 -4.554 1.00 0.00 H new ATOM 0 HA SER A 76 184.277 1.742 -5.140 1.00 0.00 H new ATOM 0 HB2 SER A 76 184.037 -0.587 -5.752 1.00 0.00 H new ATOM 0 HB3 SER A 76 182.608 -0.259 -6.713 1.00 0.00 H new ATOM 0 HG SER A 76 184.514 -0.471 -8.018 1.00 0.00 H new ATOM 1229 N ASN A 77 181.676 2.540 -7.041 1.00 0.00 N ATOM 1230 CA ASN A 77 181.176 3.572 -7.951 1.00 0.00 C ATOM 1231 C ASN A 77 180.880 4.868 -7.195 1.00 0.00 C ATOM 1232 O ASN A 77 181.011 5.961 -7.749 1.00 0.00 O ATOM 1233 CB ASN A 77 179.934 3.089 -8.715 1.00 0.00 C ATOM 1234 CG ASN A 77 178.697 2.933 -7.844 1.00 0.00 C ATOM 1235 OD1 ASN A 77 178.244 3.884 -7.208 1.00 0.00 O ATOM 1236 ND2 ASN A 77 178.133 1.728 -7.823 1.00 0.00 N ATOM 0 H ASN A 77 180.997 1.817 -6.803 1.00 0.00 H new ATOM 0 HA ASN A 77 181.958 3.775 -8.683 1.00 0.00 H new ATOM 0 HB2 ASN A 77 179.715 3.795 -9.517 1.00 0.00 H new ATOM 0 HB3 ASN A 77 180.158 2.132 -9.185 1.00 0.00 H new ATOM 0 HD21 ASN A 77 177.294 1.567 -7.265 1.00 0.00 H new ATOM 0 HD22 ASN A 77 178.539 0.965 -8.365 1.00 0.00 H new ATOM 1243 N CYS A 78 180.492 4.739 -5.923 1.00 0.00 N ATOM 1244 CA CYS A 78 180.191 5.901 -5.086 1.00 0.00 C ATOM 1245 C CYS A 78 181.418 6.796 -4.939 1.00 0.00 C ATOM 1246 O CYS A 78 181.312 8.019 -5.000 1.00 0.00 O ATOM 1247 CB CYS A 78 179.706 5.463 -3.701 1.00 0.00 C ATOM 1248 SG CYS A 78 177.924 5.641 -3.451 1.00 0.00 S ATOM 0 H CYS A 78 180.379 3.841 -5.452 1.00 0.00 H new ATOM 0 HA CYS A 78 179.398 6.466 -5.576 1.00 0.00 H new ATOM 0 HB2 CYS A 78 179.981 4.420 -3.545 1.00 0.00 H new ATOM 0 HB3 CYS A 78 180.228 6.047 -2.944 1.00 0.00 H new ATOM 0 HG CYS A 78 177.434 4.521 -3.010 1.00 0.00 H new ATOM 1254 N TYR A 79 182.582 6.177 -4.746 1.00 0.00 N ATOM 1255 CA TYR A 79 183.834 6.918 -4.591 1.00 0.00 C ATOM 1256 C TYR A 79 184.151 7.746 -5.838 1.00 0.00 C ATOM 1257 O TYR A 79 184.724 8.832 -5.738 1.00 0.00 O ATOM 1258 CB TYR A 79 184.990 5.959 -4.292 1.00 0.00 C ATOM 1259 CG TYR A 79 186.138 6.609 -3.546 1.00 0.00 C ATOM 1260 CD1 TYR A 79 186.098 6.760 -2.166 1.00 0.00 C ATOM 1261 CD2 TYR A 79 187.259 7.074 -4.225 1.00 0.00 C ATOM 1262 CE1 TYR A 79 187.142 7.356 -1.482 1.00 0.00 C ATOM 1263 CE2 TYR A 79 188.306 7.670 -3.548 1.00 0.00 C ATOM 1264 CZ TYR A 79 188.243 7.809 -2.179 1.00 0.00 C ATOM 1265 OH TYR A 79 189.285 8.402 -1.503 1.00 0.00 O ATOM 0 H TYR A 79 182.685 5.164 -4.693 1.00 0.00 H new ATOM 0 HA TYR A 79 183.711 7.602 -3.751 1.00 0.00 H new ATOM 0 HB2 TYR A 79 184.614 5.121 -3.705 1.00 0.00 H new ATOM 0 HB3 TYR A 79 185.363 5.549 -5.230 1.00 0.00 H new ATOM 0 HD1 TYR A 79 185.237 6.406 -1.618 1.00 0.00 H new ATOM 0 HD2 TYR A 79 187.312 6.968 -5.298 1.00 0.00 H new ATOM 0 HE1 TYR A 79 187.096 7.466 -0.409 1.00 0.00 H new ATOM 0 HE2 TYR A 79 189.170 8.025 -4.090 1.00 0.00 H new ATOM 0 HH TYR A 79 189.982 8.663 -2.140 1.00 0.00 H new ATOM 1275 N LYS A 80 183.776 7.231 -7.010 1.00 0.00 N ATOM 1276 CA LYS A 80 184.024 7.932 -8.269 1.00 0.00 C ATOM 1277 C LYS A 80 183.122 9.161 -8.401 1.00 0.00 C ATOM 1278 O LYS A 80 183.580 10.233 -8.796 1.00 0.00 O ATOM 1279 CB LYS A 80 183.809 6.987 -9.458 1.00 0.00 C ATOM 1280 CG LYS A 80 184.232 7.574 -10.798 1.00 0.00 C ATOM 1281 CD LYS A 80 183.948 6.610 -11.940 1.00 0.00 C ATOM 1282 CE LYS A 80 184.812 6.906 -13.157 1.00 0.00 C ATOM 1283 NZ LYS A 80 184.969 5.710 -14.032 1.00 0.00 N ATOM 0 H LYS A 80 183.301 6.334 -7.113 1.00 0.00 H new ATOM 0 HA LYS A 80 185.061 8.269 -8.269 1.00 0.00 H new ATOM 0 HB2 LYS A 80 184.367 6.067 -9.283 1.00 0.00 H new ATOM 0 HB3 LYS A 80 182.754 6.716 -9.508 1.00 0.00 H new ATOM 0 HG2 LYS A 80 183.702 8.511 -10.970 1.00 0.00 H new ATOM 0 HG3 LYS A 80 185.296 7.809 -10.774 1.00 0.00 H new ATOM 0 HD2 LYS A 80 184.128 5.588 -11.606 1.00 0.00 H new ATOM 0 HD3 LYS A 80 182.896 6.674 -12.217 1.00 0.00 H new ATOM 0 HE2 LYS A 80 184.366 7.719 -13.730 1.00 0.00 H new ATOM 0 HE3 LYS A 80 185.794 7.248 -12.830 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 185.564 5.954 -14.849 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 185.418 4.942 -13.493 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 184.034 5.398 -14.365 1.00 0.00 H new ATOM 1297 N TYR A 81 181.839 8.998 -8.070 1.00 0.00 N ATOM 1298 CA TYR A 81 180.875 10.097 -8.153 1.00 0.00 C ATOM 1299 C TYR A 81 181.062 11.090 -7.001 1.00 0.00 C ATOM 1300 O TYR A 81 180.908 12.299 -7.186 1.00 0.00 O ATOM 1301 CB TYR A 81 179.443 9.552 -8.148 1.00 0.00 C ATOM 1302 CG TYR A 81 178.426 10.485 -8.774 1.00 0.00 C ATOM 1303 CD1 TYR A 81 178.064 11.672 -8.147 1.00 0.00 C ATOM 1304 CD2 TYR A 81 177.826 10.178 -9.991 1.00 0.00 C ATOM 1305 CE1 TYR A 81 177.134 12.523 -8.711 1.00 0.00 C ATOM 1306 CE2 TYR A 81 176.896 11.026 -10.561 1.00 0.00 C ATOM 1307 CZ TYR A 81 176.554 12.197 -9.918 1.00 0.00 C ATOM 1308 OH TYR A 81 175.627 13.043 -10.483 1.00 0.00 O ATOM 0 H TYR A 81 181.444 8.116 -7.742 1.00 0.00 H new ATOM 0 HA TYR A 81 181.053 10.626 -9.089 1.00 0.00 H new ATOM 0 HB2 TYR A 81 179.425 8.601 -8.681 1.00 0.00 H new ATOM 0 HB3 TYR A 81 179.147 9.346 -7.119 1.00 0.00 H new ATOM 0 HD1 TYR A 81 178.518 11.933 -7.202 1.00 0.00 H new ATOM 0 HD2 TYR A 81 178.091 9.262 -10.498 1.00 0.00 H new ATOM 0 HE1 TYR A 81 176.862 13.440 -8.209 1.00 0.00 H new ATOM 0 HE2 TYR A 81 176.439 10.773 -11.506 1.00 0.00 H new ATOM 0 HH TYR A 81 175.316 12.667 -11.333 1.00 0.00 H new ATOM 1318 N ASN A 82 181.385 10.573 -5.813 1.00 0.00 N ATOM 1319 CA ASN A 82 181.586 11.410 -4.628 1.00 0.00 C ATOM 1320 C ASN A 82 182.689 12.445 -4.858 1.00 0.00 C ATOM 1321 O ASN A 82 183.855 12.087 -5.038 1.00 0.00 O ATOM 1322 CB ASN A 82 181.936 10.541 -3.415 1.00 0.00 C ATOM 1323 CG ASN A 82 180.713 10.121 -2.618 1.00 0.00 C ATOM 1324 OD1 ASN A 82 179.577 10.279 -3.066 1.00 0.00 O ATOM 1325 ND2 ASN A 82 180.939 9.578 -1.424 1.00 0.00 N ATOM 0 H ASN A 82 181.513 9.575 -5.646 1.00 0.00 H new ATOM 0 HA ASN A 82 180.654 11.940 -4.435 1.00 0.00 H new ATOM 0 HB2 ASN A 82 182.467 9.651 -3.753 1.00 0.00 H new ATOM 0 HB3 ASN A 82 182.617 11.091 -2.765 1.00 0.00 H new ATOM 0 HD21 ASN A 82 180.156 9.276 -0.845 1.00 0.00 H new ATOM 0 HD22 ASN A 82 181.895 9.464 -1.088 1.00 0.00 H new ATOM 1332 N PRO A 83 182.332 13.749 -4.852 1.00 0.00 N ATOM 1333 CA PRO A 83 183.294 14.844 -5.059 1.00 0.00 C ATOM 1334 C PRO A 83 184.424 14.838 -4.027 1.00 0.00 C ATOM 1335 O PRO A 83 184.314 14.200 -2.979 1.00 0.00 O ATOM 1336 CB PRO A 83 182.441 16.109 -4.902 1.00 0.00 C ATOM 1337 CG PRO A 83 181.043 15.666 -5.156 1.00 0.00 C ATOM 1338 CD PRO A 83 180.963 14.257 -4.646 1.00 0.00 C ATOM 0 HA PRO A 83 183.791 14.763 -6.026 1.00 0.00 H new ATOM 0 HB2 PRO A 83 182.545 16.534 -3.903 1.00 0.00 H new ATOM 0 HB3 PRO A 83 182.745 16.880 -5.610 1.00 0.00 H new ATOM 0 HG2 PRO A 83 180.329 16.309 -4.642 1.00 0.00 H new ATOM 0 HG3 PRO A 83 180.805 15.712 -6.219 1.00 0.00 H new ATOM 0 HD2 PRO A 83 180.675 14.224 -3.595 1.00 0.00 H new ATOM 0 HD3 PRO A 83 180.228 13.670 -5.197 1.00 0.00 H new ATOM 1346 N PRO A 84 185.530 15.555 -4.310 1.00 0.00 N ATOM 1347 CA PRO A 84 186.679 15.629 -3.401 1.00 0.00 C ATOM 1348 C PRO A 84 186.403 16.508 -2.182 1.00 0.00 C ATOM 1349 O PRO A 84 185.999 17.666 -2.320 1.00 0.00 O ATOM 1350 CB PRO A 84 187.777 16.244 -4.268 1.00 0.00 C ATOM 1351 CG PRO A 84 187.047 17.063 -5.277 1.00 0.00 C ATOM 1352 CD PRO A 84 185.747 16.349 -5.537 1.00 0.00 C ATOM 0 HA PRO A 84 186.937 14.653 -2.991 1.00 0.00 H new ATOM 0 HB2 PRO A 84 188.454 16.858 -3.674 1.00 0.00 H new ATOM 0 HB3 PRO A 84 188.382 15.474 -4.746 1.00 0.00 H new ATOM 0 HG2 PRO A 84 186.869 18.072 -4.904 1.00 0.00 H new ATOM 0 HG3 PRO A 84 187.628 17.160 -6.194 1.00 0.00 H new ATOM 0 HD2 PRO A 84 184.932 17.052 -5.708 1.00 0.00 H new ATOM 0 HD3 PRO A 84 185.810 15.713 -6.420 1.00 0.00 H new ATOM 1360 N ASP A 85 186.623 15.948 -0.991 1.00 0.00 N ATOM 1361 CA ASP A 85 186.404 16.668 0.265 1.00 0.00 C ATOM 1362 C ASP A 85 184.954 17.147 0.382 1.00 0.00 C ATOM 1363 O ASP A 85 184.686 18.349 0.444 1.00 0.00 O ATOM 1364 CB ASP A 85 187.366 17.858 0.379 1.00 0.00 C ATOM 1365 CG ASP A 85 187.812 18.108 1.808 1.00 0.00 C ATOM 1366 OD1 ASP A 85 186.939 18.212 2.696 1.00 0.00 O ATOM 1367 OD2 ASP A 85 189.036 18.198 2.040 1.00 0.00 O ATOM 0 H ASP A 85 186.955 14.991 -0.870 1.00 0.00 H new ATOM 0 HA ASP A 85 186.601 15.977 1.084 1.00 0.00 H new ATOM 0 HB2 ASP A 85 188.241 17.675 -0.245 1.00 0.00 H new ATOM 0 HB3 ASP A 85 186.880 18.753 -0.009 1.00 0.00 H new ATOM 1372 N HIS A 86 184.021 16.197 0.410 1.00 0.00 N ATOM 1373 CA HIS A 86 182.602 16.515 0.517 1.00 0.00 C ATOM 1374 C HIS A 86 181.981 15.831 1.733 1.00 0.00 C ATOM 1375 O HIS A 86 182.469 14.794 2.188 1.00 0.00 O ATOM 1376 CB HIS A 86 181.874 16.084 -0.758 1.00 0.00 C ATOM 1377 CG HIS A 86 180.787 17.023 -1.179 1.00 0.00 C ATOM 1378 ND1 HIS A 86 179.577 17.120 -0.524 1.00 0.00 N ATOM 1379 CD2 HIS A 86 180.730 17.909 -2.200 1.00 0.00 C ATOM 1380 CE1 HIS A 86 178.824 18.023 -1.125 1.00 0.00 C ATOM 1381 NE2 HIS A 86 179.500 18.518 -2.144 1.00 0.00 N ATOM 0 H HIS A 86 184.225 15.199 0.360 1.00 0.00 H new ATOM 0 HA HIS A 86 182.499 17.593 0.643 1.00 0.00 H new ATOM 0 HB2 HIS A 86 182.599 15.996 -1.567 1.00 0.00 H new ATOM 0 HB3 HIS A 86 181.446 15.093 -0.604 1.00 0.00 H new ATOM 0 HD2 HIS A 86 181.507 18.102 -2.925 1.00 0.00 H new ATOM 0 HE1 HIS A 86 177.824 18.308 -0.832 1.00 0.00 H new ATOM 0 HE2 HIS A 86 179.164 19.236 -2.786 1.00 0.00 H new ATOM 1390 N GLU A 87 180.902 16.417 2.256 1.00 0.00 N ATOM 1391 CA GLU A 87 180.210 15.862 3.421 1.00 0.00 C ATOM 1392 C GLU A 87 179.763 14.423 3.166 1.00 0.00 C ATOM 1393 O GLU A 87 179.919 13.556 4.028 1.00 0.00 O ATOM 1394 CB GLU A 87 178.999 16.725 3.787 1.00 0.00 C ATOM 1395 CG GLU A 87 179.361 17.989 4.551 1.00 0.00 C ATOM 1396 CD GLU A 87 179.823 19.108 3.639 1.00 0.00 C ATOM 1397 OE1 GLU A 87 178.966 19.892 3.181 1.00 0.00 O ATOM 1398 OE2 GLU A 87 181.041 19.197 3.377 1.00 0.00 O ATOM 0 H GLU A 87 180.489 17.275 1.891 1.00 0.00 H new ATOM 0 HA GLU A 87 180.913 15.861 4.254 1.00 0.00 H new ATOM 0 HB2 GLU A 87 178.471 17.001 2.874 1.00 0.00 H new ATOM 0 HB3 GLU A 87 178.309 16.132 4.388 1.00 0.00 H new ATOM 0 HG2 GLU A 87 178.495 18.325 5.122 1.00 0.00 H new ATOM 0 HG3 GLU A 87 180.149 17.762 5.270 1.00 0.00 H new ATOM 1405 N VAL A 88 179.208 14.177 1.978 1.00 0.00 N ATOM 1406 CA VAL A 88 178.739 12.842 1.607 1.00 0.00 C ATOM 1407 C VAL A 88 179.878 11.823 1.642 1.00 0.00 C ATOM 1408 O VAL A 88 179.683 10.678 2.052 1.00 0.00 O ATOM 1409 CB VAL A 88 178.092 12.830 0.203 1.00 0.00 C ATOM 1410 CG1 VAL A 88 176.798 13.633 0.203 1.00 0.00 C ATOM 1411 CG2 VAL A 88 179.059 13.359 -0.852 1.00 0.00 C ATOM 0 H VAL A 88 179.073 14.885 1.257 1.00 0.00 H new ATOM 0 HA VAL A 88 177.985 12.564 2.343 1.00 0.00 H new ATOM 0 HB VAL A 88 177.855 11.797 -0.051 1.00 0.00 H new ATOM 0 HG11 VAL A 88 176.357 13.613 -0.794 1.00 0.00 H new ATOM 0 HG12 VAL A 88 176.099 13.197 0.917 1.00 0.00 H new ATOM 0 HG13 VAL A 88 177.010 14.664 0.485 1.00 0.00 H new ATOM 0 HG21 VAL A 88 178.577 13.339 -1.830 1.00 0.00 H new ATOM 0 HG22 VAL A 88 179.340 14.383 -0.607 1.00 0.00 H new ATOM 0 HG23 VAL A 88 179.951 12.733 -0.874 1.00 0.00 H new ATOM 1421 N VAL A 89 181.067 12.249 1.214 1.00 0.00 N ATOM 1422 CA VAL A 89 182.237 11.376 1.201 1.00 0.00 C ATOM 1423 C VAL A 89 182.604 10.935 2.616 1.00 0.00 C ATOM 1424 O VAL A 89 182.879 9.759 2.854 1.00 0.00 O ATOM 1425 CB VAL A 89 183.456 12.067 0.555 1.00 0.00 C ATOM 1426 CG1 VAL A 89 184.603 11.082 0.388 1.00 0.00 C ATOM 1427 CG2 VAL A 89 183.078 12.688 -0.784 1.00 0.00 C ATOM 0 H VAL A 89 181.243 13.194 0.872 1.00 0.00 H new ATOM 0 HA VAL A 89 181.973 10.503 0.605 1.00 0.00 H new ATOM 0 HB VAL A 89 183.786 12.867 1.218 1.00 0.00 H new ATOM 0 HG11 VAL A 89 185.453 11.588 -0.069 1.00 0.00 H new ATOM 0 HG12 VAL A 89 184.894 10.693 1.364 1.00 0.00 H new ATOM 0 HG13 VAL A 89 184.285 10.258 -0.251 1.00 0.00 H new ATOM 0 HG21 VAL A 89 183.952 13.170 -1.221 1.00 0.00 H new ATOM 0 HG22 VAL A 89 182.717 11.910 -1.457 1.00 0.00 H new ATOM 0 HG23 VAL A 89 182.293 13.429 -0.633 1.00 0.00 H new ATOM 1437 N ALA A 90 182.598 11.884 3.552 1.00 0.00 N ATOM 1438 CA ALA A 90 182.922 11.586 4.945 1.00 0.00 C ATOM 1439 C ALA A 90 181.943 10.568 5.524 1.00 0.00 C ATOM 1440 O ALA A 90 182.343 9.646 6.236 1.00 0.00 O ATOM 1441 CB ALA A 90 182.921 12.860 5.777 1.00 0.00 C ATOM 0 H ALA A 90 182.373 12.862 3.371 1.00 0.00 H new ATOM 0 HA ALA A 90 183.922 11.153 4.977 1.00 0.00 H new ATOM 0 HB1 ALA A 90 183.164 12.619 6.812 1.00 0.00 H new ATOM 0 HB2 ALA A 90 183.663 13.553 5.382 1.00 0.00 H new ATOM 0 HB3 ALA A 90 181.935 13.322 5.734 1.00 0.00 H new ATOM 1447 N MET A 91 180.659 10.738 5.204 1.00 0.00 N ATOM 1448 CA MET A 91 179.621 9.829 5.682 1.00 0.00 C ATOM 1449 C MET A 91 179.820 8.432 5.099 1.00 0.00 C ATOM 1450 O MET A 91 179.704 7.433 5.810 1.00 0.00 O ATOM 1451 CB MET A 91 178.231 10.352 5.308 1.00 0.00 C ATOM 1452 CG MET A 91 177.767 11.526 6.155 1.00 0.00 C ATOM 1453 SD MET A 91 176.919 12.787 5.186 1.00 0.00 S ATOM 1454 CE MET A 91 177.110 14.213 6.252 1.00 0.00 C ATOM 0 H MET A 91 180.315 11.497 4.616 1.00 0.00 H new ATOM 0 HA MET A 91 179.697 9.773 6.768 1.00 0.00 H new ATOM 0 HB2 MET A 91 178.236 10.652 4.260 1.00 0.00 H new ATOM 0 HB3 MET A 91 177.510 9.540 5.404 1.00 0.00 H new ATOM 0 HG2 MET A 91 177.099 11.164 6.937 1.00 0.00 H new ATOM 0 HG3 MET A 91 178.628 11.973 6.653 1.00 0.00 H new ATOM 0 HE1 MET A 91 176.636 15.079 5.790 1.00 0.00 H new ATOM 0 HE2 MET A 91 176.640 14.013 7.215 1.00 0.00 H new ATOM 0 HE3 MET A 91 178.170 14.417 6.401 1.00 0.00 H new ATOM 1464 N ALA A 92 180.124 8.371 3.800 1.00 0.00 N ATOM 1465 CA ALA A 92 180.344 7.099 3.117 1.00 0.00 C ATOM 1466 C ALA A 92 181.516 6.343 3.733 1.00 0.00 C ATOM 1467 O ALA A 92 181.409 5.154 4.032 1.00 0.00 O ATOM 1468 CB ALA A 92 180.581 7.328 1.631 1.00 0.00 C ATOM 0 H ALA A 92 180.223 9.191 3.201 1.00 0.00 H new ATOM 0 HA ALA A 92 179.448 6.490 3.238 1.00 0.00 H new ATOM 0 HB1 ALA A 92 180.743 6.370 1.137 1.00 0.00 H new ATOM 0 HB2 ALA A 92 179.711 7.819 1.195 1.00 0.00 H new ATOM 0 HB3 ALA A 92 181.459 7.959 1.496 1.00 0.00 H new ATOM 1474 N ARG A 93 182.635 7.045 3.927 1.00 0.00 N ATOM 1475 CA ARG A 93 183.828 6.439 4.516 1.00 0.00 C ATOM 1476 C ARG A 93 183.503 5.815 5.872 1.00 0.00 C ATOM 1477 O ARG A 93 183.879 4.675 6.143 1.00 0.00 O ATOM 1478 CB ARG A 93 184.945 7.479 4.666 1.00 0.00 C ATOM 1479 CG ARG A 93 186.222 7.108 3.927 1.00 0.00 C ATOM 1480 CD ARG A 93 186.542 8.105 2.822 1.00 0.00 C ATOM 1481 NE ARG A 93 187.917 7.964 2.342 1.00 0.00 N ATOM 1482 CZ ARG A 93 188.542 8.868 1.584 1.00 0.00 C ATOM 1483 NH1 ARG A 93 187.911 9.970 1.185 1.00 0.00 N ATOM 1484 NH2 ARG A 93 189.802 8.666 1.218 1.00 0.00 N ATOM 0 H ARG A 93 182.738 8.031 3.685 1.00 0.00 H new ATOM 0 HA ARG A 93 184.174 5.652 3.846 1.00 0.00 H new ATOM 0 HB2 ARG A 93 184.587 8.440 4.297 1.00 0.00 H new ATOM 0 HB3 ARG A 93 185.171 7.608 5.724 1.00 0.00 H new ATOM 0 HG2 ARG A 93 187.052 7.067 4.632 1.00 0.00 H new ATOM 0 HG3 ARG A 93 186.118 6.111 3.499 1.00 0.00 H new ATOM 0 HD2 ARG A 93 185.851 7.961 1.992 1.00 0.00 H new ATOM 0 HD3 ARG A 93 186.389 9.119 3.192 1.00 0.00 H new ATOM 0 HE ARG A 93 188.430 7.122 2.603 1.00 0.00 H new ATOM 0 HH11 ARG A 93 186.941 10.130 1.458 1.00 0.00 H new ATOM 0 HH12 ARG A 93 188.397 10.655 0.606 1.00 0.00 H new ATOM 0 HH21 ARG A 93 190.290 7.822 1.516 1.00 0.00 H new ATOM 0 HH22 ARG A 93 190.282 9.355 0.639 1.00 0.00 H new ATOM 1498 N LYS A 94 182.790 6.566 6.713 1.00 0.00 N ATOM 1499 CA LYS A 94 182.400 6.078 8.034 1.00 0.00 C ATOM 1500 C LYS A 94 181.478 4.862 7.915 1.00 0.00 C ATOM 1501 O LYS A 94 181.576 3.923 8.705 1.00 0.00 O ATOM 1502 CB LYS A 94 181.703 7.188 8.827 1.00 0.00 C ATOM 1503 CG LYS A 94 181.364 6.802 10.260 1.00 0.00 C ATOM 1504 CD LYS A 94 180.414 7.805 10.894 1.00 0.00 C ATOM 1505 CE LYS A 94 179.873 7.306 12.227 1.00 0.00 C ATOM 1506 NZ LYS A 94 180.509 7.997 13.385 1.00 0.00 N ATOM 0 H LYS A 94 182.472 7.512 6.502 1.00 0.00 H new ATOM 0 HA LYS A 94 183.303 5.776 8.564 1.00 0.00 H new ATOM 0 HB2 LYS A 94 182.344 8.069 8.840 1.00 0.00 H new ATOM 0 HB3 LYS A 94 180.786 7.469 8.310 1.00 0.00 H new ATOM 0 HG2 LYS A 94 180.911 5.811 10.274 1.00 0.00 H new ATOM 0 HG3 LYS A 94 182.279 6.743 10.849 1.00 0.00 H new ATOM 0 HD2 LYS A 94 180.932 8.752 11.044 1.00 0.00 H new ATOM 0 HD3 LYS A 94 179.584 7.999 10.215 1.00 0.00 H new ATOM 0 HE2 LYS A 94 178.795 7.461 12.261 1.00 0.00 H new ATOM 0 HE3 LYS A 94 180.044 6.232 12.308 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 180.111 7.626 14.272 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 181.535 7.829 13.369 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 180.325 9.019 13.323 1.00 0.00 H new ATOM 1520 N LEU A 95 180.585 4.888 6.920 1.00 0.00 N ATOM 1521 CA LEU A 95 179.646 3.787 6.692 1.00 0.00 C ATOM 1522 C LEU A 95 180.380 2.521 6.247 1.00 0.00 C ATOM 1523 O LEU A 95 179.994 1.412 6.617 1.00 0.00 O ATOM 1524 CB LEU A 95 178.602 4.175 5.638 1.00 0.00 C ATOM 1525 CG LEU A 95 177.618 5.270 6.059 1.00 0.00 C ATOM 1526 CD1 LEU A 95 177.128 6.043 4.845 1.00 0.00 C ATOM 1527 CD2 LEU A 95 176.442 4.672 6.817 1.00 0.00 C ATOM 0 H LEU A 95 180.494 5.660 6.260 1.00 0.00 H new ATOM 0 HA LEU A 95 179.141 3.584 7.636 1.00 0.00 H new ATOM 0 HB2 LEU A 95 179.123 4.505 4.739 1.00 0.00 H new ATOM 0 HB3 LEU A 95 178.034 3.284 5.369 1.00 0.00 H new ATOM 0 HG LEU A 95 178.139 5.961 6.722 1.00 0.00 H new ATOM 0 HD11 LEU A 95 176.430 6.817 5.164 1.00 0.00 H new ATOM 0 HD12 LEU A 95 177.977 6.505 4.341 1.00 0.00 H new ATOM 0 HD13 LEU A 95 176.626 5.362 4.158 1.00 0.00 H new ATOM 0 HD21 LEU A 95 175.754 5.466 7.107 1.00 0.00 H new ATOM 0 HD22 LEU A 95 175.922 3.958 6.178 1.00 0.00 H new ATOM 0 HD23 LEU A 95 176.806 4.163 7.709 1.00 0.00 H new ATOM 1539 N GLN A 96 181.437 2.693 5.452 1.00 0.00 N ATOM 1540 CA GLN A 96 182.220 1.561 4.959 1.00 0.00 C ATOM 1541 C GLN A 96 183.018 0.911 6.089 1.00 0.00 C ATOM 1542 O GLN A 96 183.010 -0.311 6.236 1.00 0.00 O ATOM 1543 CB GLN A 96 183.175 2.009 3.847 1.00 0.00 C ATOM 1544 CG GLN A 96 183.396 0.955 2.773 1.00 0.00 C ATOM 1545 CD GLN A 96 184.680 0.167 2.971 1.00 0.00 C ATOM 1546 OE1 GLN A 96 185.647 0.664 3.549 1.00 0.00 O ATOM 1547 NE2 GLN A 96 184.697 -1.071 2.486 1.00 0.00 N ATOM 0 H GLN A 96 181.770 3.604 5.137 1.00 0.00 H new ATOM 0 HA GLN A 96 181.522 0.827 4.557 1.00 0.00 H new ATOM 0 HB2 GLN A 96 182.780 2.912 3.382 1.00 0.00 H new ATOM 0 HB3 GLN A 96 184.136 2.272 4.289 1.00 0.00 H new ATOM 0 HG2 GLN A 96 182.551 0.267 2.768 1.00 0.00 H new ATOM 0 HG3 GLN A 96 183.420 1.438 1.796 1.00 0.00 H new ATOM 0 HE21 GLN A 96 183.874 -1.445 2.014 1.00 0.00 H new ATOM 0 HE22 GLN A 96 185.533 -1.647 2.586 1.00 0.00 H new ATOM 1556 N ASP A 97 183.709 1.736 6.879 1.00 0.00 N ATOM 1557 CA ASP A 97 184.521 1.243 7.993 1.00 0.00 C ATOM 1558 C ASP A 97 183.668 0.511 9.026 1.00 0.00 C ATOM 1559 O ASP A 97 184.025 -0.580 9.470 1.00 0.00 O ATOM 1560 CB ASP A 97 185.272 2.402 8.664 1.00 0.00 C ATOM 1561 CG ASP A 97 186.519 1.953 9.414 1.00 0.00 C ATOM 1562 OD1 ASP A 97 186.589 0.772 9.818 1.00 0.00 O ATOM 1563 OD2 ASP A 97 187.426 2.788 9.599 1.00 0.00 O ATOM 0 H ASP A 97 183.722 2.750 6.767 1.00 0.00 H new ATOM 0 HA ASP A 97 185.243 0.535 7.585 1.00 0.00 H new ATOM 0 HB2 ASP A 97 185.555 3.131 7.905 1.00 0.00 H new ATOM 0 HB3 ASP A 97 184.601 2.908 9.358 1.00 0.00 H new ATOM 1568 N VAL A 98 182.541 1.112 9.406 1.00 0.00 N ATOM 1569 CA VAL A 98 181.648 0.504 10.389 1.00 0.00 C ATOM 1570 C VAL A 98 181.073 -0.818 9.873 1.00 0.00 C ATOM 1571 O VAL A 98 181.014 -1.802 10.611 1.00 0.00 O ATOM 1572 CB VAL A 98 180.494 1.456 10.784 1.00 0.00 C ATOM 1573 CG1 VAL A 98 179.607 1.768 9.589 1.00 0.00 C ATOM 1574 CG2 VAL A 98 179.676 0.865 11.924 1.00 0.00 C ATOM 0 H VAL A 98 182.227 2.015 9.050 1.00 0.00 H new ATOM 0 HA VAL A 98 182.248 0.306 11.277 1.00 0.00 H new ATOM 0 HB VAL A 98 180.934 2.393 11.127 1.00 0.00 H new ATOM 0 HG11 VAL A 98 178.805 2.439 9.897 1.00 0.00 H new ATOM 0 HG12 VAL A 98 180.201 2.246 8.810 1.00 0.00 H new ATOM 0 HG13 VAL A 98 179.178 0.843 9.203 1.00 0.00 H new ATOM 0 HG21 VAL A 98 178.870 1.550 12.187 1.00 0.00 H new ATOM 0 HG22 VAL A 98 179.254 -0.090 11.612 1.00 0.00 H new ATOM 0 HG23 VAL A 98 180.318 0.711 12.791 1.00 0.00 H new ATOM 1584 N PHE A 99 180.657 -0.838 8.605 1.00 0.00 N ATOM 1585 CA PHE A 99 180.098 -2.045 8.002 1.00 0.00 C ATOM 1586 C PHE A 99 181.154 -3.143 7.908 1.00 0.00 C ATOM 1587 O PHE A 99 180.924 -4.272 8.341 1.00 0.00 O ATOM 1588 CB PHE A 99 179.527 -1.741 6.615 1.00 0.00 C ATOM 1589 CG PHE A 99 178.315 -2.562 6.275 1.00 0.00 C ATOM 1590 CD1 PHE A 99 177.157 -2.457 7.030 1.00 0.00 C ATOM 1591 CD2 PHE A 99 178.334 -3.441 5.204 1.00 0.00 C ATOM 1592 CE1 PHE A 99 176.043 -3.213 6.723 1.00 0.00 C ATOM 1593 CE2 PHE A 99 177.223 -4.200 4.894 1.00 0.00 C ATOM 1594 CZ PHE A 99 176.075 -4.085 5.655 1.00 0.00 C ATOM 0 H PHE A 99 180.697 -0.034 7.979 1.00 0.00 H new ATOM 0 HA PHE A 99 179.289 -2.397 8.642 1.00 0.00 H new ATOM 0 HB2 PHE A 99 179.267 -0.684 6.561 1.00 0.00 H new ATOM 0 HB3 PHE A 99 180.299 -1.918 5.866 1.00 0.00 H new ATOM 0 HD1 PHE A 99 177.126 -1.776 7.868 1.00 0.00 H new ATOM 0 HD2 PHE A 99 179.228 -3.533 4.605 1.00 0.00 H new ATOM 0 HE1 PHE A 99 175.147 -3.121 7.319 1.00 0.00 H new ATOM 0 HE2 PHE A 99 177.251 -4.883 4.058 1.00 0.00 H new ATOM 0 HZ PHE A 99 175.205 -4.677 5.414 1.00 0.00 H new ATOM 1604 N GLU A 100 182.315 -2.803 7.344 1.00 0.00 N ATOM 1605 CA GLU A 100 183.409 -3.762 7.199 1.00 0.00 C ATOM 1606 C GLU A 100 183.848 -4.298 8.559 1.00 0.00 C ATOM 1607 O GLU A 100 184.081 -5.497 8.715 1.00 0.00 O ATOM 1608 CB GLU A 100 184.598 -3.119 6.474 1.00 0.00 C ATOM 1609 CG GLU A 100 185.130 -3.961 5.323 1.00 0.00 C ATOM 1610 CD GLU A 100 186.537 -4.478 5.561 1.00 0.00 C ATOM 1611 OE1 GLU A 100 186.779 -5.082 6.628 1.00 0.00 O ATOM 1612 OE2 GLU A 100 187.396 -4.283 4.675 1.00 0.00 O ATOM 0 H GLU A 100 182.520 -1.872 6.981 1.00 0.00 H new ATOM 0 HA GLU A 100 183.046 -4.598 6.601 1.00 0.00 H new ATOM 0 HB2 GLU A 100 184.297 -2.143 6.092 1.00 0.00 H new ATOM 0 HB3 GLU A 100 185.401 -2.947 7.190 1.00 0.00 H new ATOM 0 HG2 GLU A 100 184.462 -4.807 5.161 1.00 0.00 H new ATOM 0 HG3 GLU A 100 185.118 -3.366 4.410 1.00 0.00 H new ATOM 1619 N MET A 101 183.950 -3.404 9.543 1.00 0.00 N ATOM 1620 CA MET A 101 184.350 -3.788 10.894 1.00 0.00 C ATOM 1621 C MET A 101 183.314 -4.720 11.525 1.00 0.00 C ATOM 1622 O MET A 101 183.667 -5.742 12.114 1.00 0.00 O ATOM 1623 CB MET A 101 184.539 -2.544 11.769 1.00 0.00 C ATOM 1624 CG MET A 101 185.955 -1.989 11.745 1.00 0.00 C ATOM 1625 SD MET A 101 186.623 -1.714 13.398 1.00 0.00 S ATOM 1626 CE MET A 101 188.357 -2.071 13.128 1.00 0.00 C ATOM 0 H MET A 101 183.761 -2.408 9.428 1.00 0.00 H new ATOM 0 HA MET A 101 185.298 -4.321 10.827 1.00 0.00 H new ATOM 0 HB2 MET A 101 183.849 -1.769 11.437 1.00 0.00 H new ATOM 0 HB3 MET A 101 184.272 -2.790 12.797 1.00 0.00 H new ATOM 0 HG2 MET A 101 186.603 -2.680 11.206 1.00 0.00 H new ATOM 0 HG3 MET A 101 185.963 -1.049 11.193 1.00 0.00 H new ATOM 0 HE1 MET A 101 188.904 -1.944 14.062 1.00 0.00 H new ATOM 0 HE2 MET A 101 188.467 -3.098 12.779 1.00 0.00 H new ATOM 0 HE3 MET A 101 188.757 -1.388 12.378 1.00 0.00 H new ATOM 1636 N ARG A 102 182.035 -4.362 11.394 1.00 0.00 N ATOM 1637 CA ARG A 102 180.948 -5.169 11.949 1.00 0.00 C ATOM 1638 C ARG A 102 180.861 -6.524 11.250 1.00 0.00 C ATOM 1639 O ARG A 102 180.708 -7.555 11.904 1.00 0.00 O ATOM 1640 CB ARG A 102 179.614 -4.429 11.825 1.00 0.00 C ATOM 1641 CG ARG A 102 178.610 -4.797 12.906 1.00 0.00 C ATOM 1642 CD ARG A 102 178.694 -3.849 14.093 1.00 0.00 C ATOM 1643 NE ARG A 102 178.710 -4.563 15.370 1.00 0.00 N ATOM 1644 CZ ARG A 102 179.117 -4.025 16.523 1.00 0.00 C ATOM 1645 NH1 ARG A 102 179.537 -2.763 16.572 1.00 0.00 N ATOM 1646 NH2 ARG A 102 179.099 -4.751 17.635 1.00 0.00 N ATOM 0 H ARG A 102 181.727 -3.519 10.909 1.00 0.00 H new ATOM 0 HA ARG A 102 181.161 -5.339 13.004 1.00 0.00 H new ATOM 0 HB2 ARG A 102 179.799 -3.355 11.863 1.00 0.00 H new ATOM 0 HB3 ARG A 102 179.179 -4.643 10.849 1.00 0.00 H new ATOM 0 HG2 ARG A 102 177.602 -4.773 12.491 1.00 0.00 H new ATOM 0 HG3 ARG A 102 178.793 -5.818 13.241 1.00 0.00 H new ATOM 0 HD2 ARG A 102 179.595 -3.241 14.007 1.00 0.00 H new ATOM 0 HD3 ARG A 102 177.845 -3.166 14.071 1.00 0.00 H new ATOM 0 HE ARG A 102 178.391 -5.532 15.381 1.00 0.00 H new ATOM 0 HH11 ARG A 102 179.550 -2.197 15.724 1.00 0.00 H new ATOM 0 HH12 ARG A 102 179.846 -2.362 17.458 1.00 0.00 H new ATOM 0 HH21 ARG A 102 178.775 -5.718 17.608 1.00 0.00 H new ATOM 0 HH22 ARG A 102 179.409 -4.342 18.516 1.00 0.00 H new ATOM 1660 N PHE A 103 180.965 -6.514 9.919 1.00 0.00 N ATOM 1661 CA PHE A 103 180.904 -7.747 9.135 1.00 0.00 C ATOM 1662 C PHE A 103 182.081 -8.661 9.471 1.00 0.00 C ATOM 1663 O PHE A 103 181.910 -9.868 9.636 1.00 0.00 O ATOM 1664 CB PHE A 103 180.894 -7.435 7.634 1.00 0.00 C ATOM 1665 CG PHE A 103 179.627 -7.855 6.940 1.00 0.00 C ATOM 1666 CD1 PHE A 103 179.404 -9.186 6.623 1.00 0.00 C ATOM 1667 CD2 PHE A 103 178.660 -6.920 6.608 1.00 0.00 C ATOM 1668 CE1 PHE A 103 178.240 -9.576 5.987 1.00 0.00 C ATOM 1669 CE2 PHE A 103 177.494 -7.305 5.972 1.00 0.00 C ATOM 1670 CZ PHE A 103 177.284 -8.633 5.662 1.00 0.00 C ATOM 0 H PHE A 103 181.091 -5.668 9.364 1.00 0.00 H new ATOM 0 HA PHE A 103 179.978 -8.262 9.391 1.00 0.00 H new ATOM 0 HB2 PHE A 103 181.038 -6.364 7.493 1.00 0.00 H new ATOM 0 HB3 PHE A 103 181.740 -7.935 7.162 1.00 0.00 H new ATOM 0 HD1 PHE A 103 180.148 -9.927 6.876 1.00 0.00 H new ATOM 0 HD2 PHE A 103 178.819 -5.879 6.849 1.00 0.00 H new ATOM 0 HE1 PHE A 103 178.078 -10.616 5.745 1.00 0.00 H new ATOM 0 HE2 PHE A 103 176.748 -6.566 5.718 1.00 0.00 H new ATOM 0 HZ PHE A 103 176.373 -8.935 5.166 1.00 0.00 H new ATOM 1680 N ALA A 104 183.276 -8.075 9.578 1.00 0.00 N ATOM 1681 CA ALA A 104 184.482 -8.832 9.902 1.00 0.00 C ATOM 1682 C ALA A 104 184.393 -9.423 11.305 1.00 0.00 C ATOM 1683 O ALA A 104 184.728 -10.586 11.512 1.00 0.00 O ATOM 1684 CB ALA A 104 185.717 -7.950 9.778 1.00 0.00 C ATOM 0 H ALA A 104 183.432 -7.076 9.444 1.00 0.00 H new ATOM 0 HA ALA A 104 184.567 -9.652 9.189 1.00 0.00 H new ATOM 0 HB1 ALA A 104 186.606 -8.532 10.023 1.00 0.00 H new ATOM 0 HB2 ALA A 104 185.797 -7.578 8.757 1.00 0.00 H new ATOM 0 HB3 ALA A 104 185.633 -7.108 10.465 1.00 0.00 H new ATOM 1690 N LYS A 105 183.931 -8.617 12.264 1.00 0.00 N ATOM 1691 CA LYS A 105 183.791 -9.074 13.646 1.00 0.00 C ATOM 1692 C LYS A 105 182.745 -10.184 13.742 1.00 0.00 C ATOM 1693 O LYS A 105 182.936 -11.167 14.457 1.00 0.00 O ATOM 1694 CB LYS A 105 183.405 -7.908 14.564 1.00 0.00 C ATOM 1695 CG LYS A 105 184.578 -7.016 14.945 1.00 0.00 C ATOM 1696 CD LYS A 105 185.493 -7.692 15.956 1.00 0.00 C ATOM 1697 CE LYS A 105 186.958 -7.388 15.677 1.00 0.00 C ATOM 1698 NZ LYS A 105 187.305 -5.970 15.983 1.00 0.00 N ATOM 0 H LYS A 105 183.649 -7.649 12.109 1.00 0.00 H new ATOM 0 HA LYS A 105 184.753 -9.471 13.971 1.00 0.00 H new ATOM 0 HB2 LYS A 105 182.646 -7.303 14.069 1.00 0.00 H new ATOM 0 HB3 LYS A 105 182.953 -8.306 15.472 1.00 0.00 H new ATOM 0 HG2 LYS A 105 185.148 -6.762 14.051 1.00 0.00 H new ATOM 0 HG3 LYS A 105 184.204 -6.081 15.361 1.00 0.00 H new ATOM 0 HD2 LYS A 105 185.236 -7.357 16.961 1.00 0.00 H new ATOM 0 HD3 LYS A 105 185.333 -8.770 15.929 1.00 0.00 H new ATOM 0 HE2 LYS A 105 187.585 -8.051 16.273 1.00 0.00 H new ATOM 0 HE3 LYS A 105 187.178 -7.597 14.630 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 188.312 -5.807 15.779 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 186.726 -5.336 15.396 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 187.120 -5.776 16.988 1.00 0.00 H new ATOM 1712 N MET A 106 181.643 -10.022 13.009 1.00 0.00 N ATOM 1713 CA MET A 106 180.570 -11.014 13.003 1.00 0.00 C ATOM 1714 C MET A 106 181.020 -12.297 12.305 1.00 0.00 C ATOM 1715 O MET A 106 180.762 -13.398 12.790 1.00 0.00 O ATOM 1716 CB MET A 106 179.326 -10.454 12.307 1.00 0.00 C ATOM 1717 CG MET A 106 178.093 -10.422 13.195 1.00 0.00 C ATOM 1718 SD MET A 106 176.632 -11.106 12.386 1.00 0.00 S ATOM 1719 CE MET A 106 177.237 -12.716 11.880 1.00 0.00 C ATOM 0 H MET A 106 181.471 -9.213 12.412 1.00 0.00 H new ATOM 0 HA MET A 106 180.323 -11.248 14.039 1.00 0.00 H new ATOM 0 HB2 MET A 106 179.539 -9.443 11.959 1.00 0.00 H new ATOM 0 HB3 MET A 106 179.112 -11.056 11.424 1.00 0.00 H new ATOM 0 HG2 MET A 106 178.293 -10.983 14.108 1.00 0.00 H new ATOM 0 HG3 MET A 106 177.891 -9.393 13.491 1.00 0.00 H new ATOM 0 HE1 MET A 106 176.411 -13.428 11.868 1.00 0.00 H new ATOM 0 HE2 MET A 106 177.669 -12.645 10.882 1.00 0.00 H new ATOM 0 HE3 MET A 106 177.999 -13.056 12.582 1.00 0.00 H new ATOM 1729 N LEU A 107 181.687 -12.145 11.159 1.00 0.00 N ATOM 1730 CA LEU A 107 182.168 -13.290 10.390 1.00 0.00 C ATOM 1731 C LEU A 107 183.354 -13.962 11.082 1.00 0.00 C ATOM 1732 O LEU A 107 183.428 -15.190 11.143 1.00 0.00 O ATOM 1733 CB LEU A 107 182.572 -12.849 8.976 1.00 0.00 C ATOM 1734 CG LEU A 107 181.477 -12.966 7.908 1.00 0.00 C ATOM 1735 CD1 LEU A 107 181.206 -14.426 7.576 1.00 0.00 C ATOM 1736 CD2 LEU A 107 180.198 -12.274 8.361 1.00 0.00 C ATOM 0 H LEU A 107 181.905 -11.239 10.745 1.00 0.00 H new ATOM 0 HA LEU A 107 181.355 -14.013 10.323 1.00 0.00 H new ATOM 0 HB2 LEU A 107 182.903 -11.812 9.019 1.00 0.00 H new ATOM 0 HB3 LEU A 107 183.428 -13.444 8.660 1.00 0.00 H new ATOM 0 HG LEU A 107 181.831 -12.467 7.006 1.00 0.00 H new ATOM 0 HD11 LEU A 107 180.426 -14.488 6.817 1.00 0.00 H new ATOM 0 HD12 LEU A 107 182.118 -14.889 7.198 1.00 0.00 H new ATOM 0 HD13 LEU A 107 180.879 -14.949 8.475 1.00 0.00 H new ATOM 0 HD21 LEU A 107 179.438 -12.371 7.586 1.00 0.00 H new ATOM 0 HD22 LEU A 107 179.840 -12.737 9.281 1.00 0.00 H new ATOM 0 HD23 LEU A 107 180.400 -11.218 8.541 1.00 0.00 H new ATOM 1748 N GLN A 108 184.277 -13.154 11.606 1.00 0.00 N ATOM 1749 CA GLN A 108 185.454 -13.678 12.295 1.00 0.00 C ATOM 1750 C GLN A 108 185.270 -13.614 13.811 1.00 0.00 C ATOM 1751 O GLN A 108 185.463 -12.522 14.390 1.00 0.00 O ATOM 1752 CB GLN A 108 186.712 -12.901 11.884 1.00 0.00 C ATOM 1753 CG GLN A 108 187.166 -13.175 10.459 1.00 0.00 C ATOM 1754 CD GLN A 108 188.676 -13.242 10.330 1.00 0.00 C ATOM 1755 OE1 GLN A 108 189.345 -12.215 10.211 1.00 0.00 O ATOM 1756 NE2 GLN A 108 189.222 -14.453 10.350 1.00 0.00 N ATOM 0 H GLN A 108 184.231 -12.136 11.566 1.00 0.00 H new ATOM 0 HA GLN A 108 185.576 -14.721 12.005 1.00 0.00 H new ATOM 0 HB2 GLN A 108 186.521 -11.834 11.995 1.00 0.00 H new ATOM 0 HB3 GLN A 108 187.522 -13.153 12.568 1.00 0.00 H new ATOM 0 HG2 GLN A 108 186.734 -14.116 10.119 1.00 0.00 H new ATOM 0 HG3 GLN A 108 186.783 -12.393 9.803 1.00 0.00 H new ATOM 0 HE21 GLN A 108 188.630 -15.278 10.451 1.00 0.00 H new ATOM 0 HE22 GLN A 108 190.233 -14.558 10.265 1.00 0.00 H new