USER MOD reduce.3.24.130724 H: found=0, std=0, add=1061, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 1063 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 64 HIS : no HE2:sc= -0.471 K(o=-0.93,f=-1.8) USER MOD Set 1.2: B 164 HIS : no HD1:sc= -0.458 X(o=-0.93,f=-0.51) USER MOD Set 2.1: A 38 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 42 HIS : no HE2:sc= -0.229 K(o=-0.23,f=-2!) USER MOD Single : A 5 GLN : amide:sc= -2.67 X(o=-2.7,f=-2.4) USER MOD Single : A 8 HIS : no HD1:sc= -0.0721 K(o=-0.072,f=-1.5) USER MOD Single : A 16 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0469) USER MOD Single : A 27 SER OG : rot -32:sc= 0.0386 USER MOD Single : A 28 LYS NZ :NH3+ 172:sc= 0.405 (180deg=0.278) USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00365) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 148:sc= 1.13 (180deg=0.406) USER MOD Single : A 50 GLN : amide:sc= -0.606 X(o=-0.61,f=-0.78) USER MOD Single : A 52 THR OG1 : rot -70:sc= 1.02 USER MOD Single : A 55 ASN : amide:sc= 0.0231 K(o=0.023,f=-0.6) USER MOD Single : A 57 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 60 TYR OH : rot -45:sc= 0.00151 USER MOD Single : A 66 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : B 105 GLN :FLIP amide:sc= -3.99! C(o=-7!,f=-4!) USER MOD Single : B 108 HIS : no HD1:sc= -0.228 K(o=-0.23,f=-1.3) USER MOD Single : B 116 LYS NZ :NH3+ -133:sc= 0.426 (180deg=-0.328) USER MOD Single : B 127 SER OG : rot 180:sc= 0 USER MOD Single : B 128 LYS NZ :NH3+ 167:sc= -0.0312 (180deg=-0.241) USER MOD Single : B 135 TYR OH : rot 180:sc= 0 USER MOD Single : B 137 SER OG : rot 180:sc= 0 USER MOD Single : B 138 TYR OH : rot 180:sc= 0 USER MOD Single : B 142 HIS : no HE2:sc= -0.582 K(o=-0.58,f=-1.2) USER MOD Single : B 143 LYS NZ :NH3+ -176:sc= 0.237 (180deg=0.204) USER MOD Single : B 146 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 148 LYS NZ :NH3+ 167:sc= 0.69 (180deg=0.568) USER MOD Single : B 150 GLN : amide:sc= -1.64 X(o=-1.6,f=-1.7!) USER MOD Single : B 152 THR OG1 : rot -76:sc= 0.85 USER MOD Single : B 155 ASN : amide:sc= -0.566 X(o=-0.57,f=-0.27) USER MOD Single : B 157 HIS : no HD1:sc= -0.291 X(o=-0.29,f=0) USER MOD Single : B 160 TYR OH : rot 148:sc= 0.661 USER MOD Single : B 166 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 167 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 68 N GLN A 5 9.384 -12.853 -6.294 1.00 35.50 N ATOM 69 CA GLN A 5 8.701 -12.916 -4.985 1.00 22.32 C ATOM 70 C GLN A 5 7.972 -11.593 -4.694 1.00 23.40 C ATOM 71 O GLN A 5 7.237 -11.503 -3.714 1.00 64.24 O ATOM 72 CB GLN A 5 9.704 -13.299 -3.843 1.00 32.34 C ATOM 73 CG GLN A 5 11.035 -12.503 -3.790 1.00 21.43 C ATOM 74 CD GLN A 5 10.935 -11.017 -3.390 1.00 41.13 C ATOM 75 OE1 GLN A 5 11.729 -10.205 -3.827 1.00 64.14 O ATOM 76 NE2 GLN A 5 9.975 -10.646 -2.560 1.00 5.55 N ATOM 0 HA GLN A 5 7.949 -13.704 -5.023 1.00 22.32 H new ATOM 0 HB2 GLN A 5 9.195 -13.175 -2.887 1.00 32.34 H new ATOM 0 HB3 GLN A 5 9.944 -14.358 -3.942 1.00 32.34 H new ATOM 0 HG2 GLN A 5 11.702 -13.001 -3.086 1.00 21.43 H new ATOM 0 HG3 GLN A 5 11.506 -12.561 -4.771 1.00 21.43 H new ATOM 0 HE21 GLN A 5 9.316 -11.337 -2.201 1.00 5.55 H new ATOM 0 HE22 GLN A 5 9.893 -9.669 -2.279 1.00 5.55 H new ATOM 85 N LEU A 6 8.257 -10.557 -5.510 1.00 34.44 N ATOM 86 CA LEU A 6 7.550 -9.263 -5.485 1.00 21.11 C ATOM 87 C LEU A 6 6.316 -9.374 -6.417 1.00 71.55 C ATOM 88 O LEU A 6 6.360 -10.038 -7.462 1.00 44.33 O ATOM 89 CB LEU A 6 8.524 -8.104 -5.896 1.00 33.43 C ATOM 90 CG LEU A 6 8.189 -6.653 -5.391 1.00 24.14 C ATOM 91 CD1 LEU A 6 9.347 -5.677 -5.669 1.00 52.41 C ATOM 92 CD2 LEU A 6 6.893 -6.099 -5.986 1.00 0.43 C ATOM 0 H LEU A 6 8.995 -10.598 -6.213 1.00 34.44 H new ATOM 0 HA LEU A 6 7.202 -9.023 -4.480 1.00 21.11 H new ATOM 0 HB2 LEU A 6 9.521 -8.361 -5.539 1.00 33.43 H new ATOM 0 HB3 LEU A 6 8.573 -8.077 -6.985 1.00 33.43 H new ATOM 0 HG LEU A 6 8.046 -6.742 -4.314 1.00 24.14 H new ATOM 0 HD11 LEU A 6 9.081 -4.684 -5.307 1.00 52.41 H new ATOM 0 HD12 LEU A 6 10.245 -6.022 -5.156 1.00 52.41 H new ATOM 0 HD13 LEU A 6 9.537 -5.633 -6.742 1.00 52.41 H new ATOM 0 HD21 LEU A 6 6.715 -5.095 -5.600 1.00 0.43 H new ATOM 0 HD22 LEU A 6 6.979 -6.060 -7.072 1.00 0.43 H new ATOM 0 HD23 LEU A 6 6.060 -6.746 -5.710 1.00 0.43 H new ATOM 104 N LEU A 7 5.222 -8.705 -6.006 1.00 21.20 N ATOM 105 CA LEU A 7 3.896 -8.817 -6.611 1.00 21.21 C ATOM 106 C LEU A 7 3.074 -7.551 -6.328 1.00 51.45 C ATOM 107 O LEU A 7 3.597 -6.534 -5.849 1.00 52.53 O ATOM 108 CB LEU A 7 3.159 -10.129 -6.124 1.00 41.45 C ATOM 109 CG LEU A 7 3.010 -10.446 -4.572 1.00 53.43 C ATOM 110 CD1 LEU A 7 4.356 -10.520 -3.847 1.00 53.34 C ATOM 111 CD2 LEU A 7 2.027 -9.511 -3.828 1.00 62.11 C ATOM 0 H LEU A 7 5.245 -8.055 -5.221 1.00 21.20 H new ATOM 0 HA LEU A 7 4.008 -8.902 -7.692 1.00 21.21 H new ATOM 0 HB2 LEU A 7 2.154 -10.108 -6.545 1.00 41.45 H new ATOM 0 HB3 LEU A 7 3.677 -10.975 -6.576 1.00 41.45 H new ATOM 0 HG LEU A 7 2.565 -11.441 -4.544 1.00 53.43 H new ATOM 0 HD11 LEU A 7 4.190 -10.739 -2.792 1.00 53.34 H new ATOM 0 HD12 LEU A 7 4.965 -11.308 -4.290 1.00 53.34 H new ATOM 0 HD13 LEU A 7 4.874 -9.565 -3.942 1.00 53.34 H new ATOM 0 HD21 LEU A 7 1.982 -9.793 -2.776 1.00 62.11 H new ATOM 0 HD22 LEU A 7 2.371 -8.480 -3.913 1.00 62.11 H new ATOM 0 HD23 LEU A 7 1.035 -9.600 -4.270 1.00 62.11 H new ATOM 123 N HIS A 8 1.782 -7.623 -6.654 1.00 45.25 N ATOM 124 CA HIS A 8 0.813 -6.562 -6.378 1.00 15.30 C ATOM 125 C HIS A 8 0.274 -6.714 -4.952 1.00 14.15 C ATOM 126 O HIS A 8 -0.580 -7.570 -4.707 1.00 63.42 O ATOM 127 CB HIS A 8 -0.340 -6.627 -7.409 1.00 1.43 C ATOM 128 CG HIS A 8 0.089 -6.365 -8.829 1.00 42.22 C ATOM 129 ND1 HIS A 8 -0.725 -6.586 -9.916 1.00 74.42 N ATOM 130 CD2 HIS A 8 1.264 -5.908 -9.335 1.00 12.24 C ATOM 131 CE1 HIS A 8 -0.074 -6.288 -11.021 1.00 2.40 C ATOM 132 NE2 HIS A 8 1.129 -5.866 -10.694 1.00 13.24 N ATOM 0 H HIS A 8 1.374 -8.431 -7.124 1.00 45.25 H new ATOM 0 HA HIS A 8 1.300 -5.591 -6.463 1.00 15.30 H new ATOM 0 HB2 HIS A 8 -0.804 -7.612 -7.357 1.00 1.43 H new ATOM 0 HB3 HIS A 8 -1.103 -5.900 -7.131 1.00 1.43 H new ATOM 0 HD2 HIS A 8 2.141 -5.630 -8.769 1.00 12.24 H new ATOM 0 HE1 HIS A 8 -0.461 -6.375 -12.025 1.00 2.40 H new ATOM 0 HE2 HIS A 8 1.846 -5.557 -11.350 1.00 13.24 H new ATOM 141 N ILE A 9 0.832 -5.929 -4.010 1.00 72.15 N ATOM 142 CA ILE A 9 0.402 -5.954 -2.595 1.00 3.33 C ATOM 143 C ILE A 9 -1.026 -5.379 -2.466 1.00 51.51 C ATOM 144 O ILE A 9 -1.474 -4.592 -3.313 1.00 20.04 O ATOM 145 CB ILE A 9 1.396 -5.177 -1.649 1.00 32.21 C ATOM 146 CG1 ILE A 9 1.386 -3.649 -1.966 1.00 3.04 C ATOM 147 CG2 ILE A 9 2.826 -5.769 -1.746 1.00 71.01 C ATOM 148 CD1 ILE A 9 2.355 -2.789 -1.166 1.00 34.24 C ATOM 0 H ILE A 9 1.584 -5.267 -4.203 1.00 72.15 H new ATOM 0 HA ILE A 9 0.406 -6.995 -2.272 1.00 3.33 H new ATOM 0 HB ILE A 9 1.057 -5.301 -0.621 1.00 32.21 H new ATOM 0 HG12 ILE A 9 1.606 -3.518 -3.025 1.00 3.04 H new ATOM 0 HG13 ILE A 9 0.377 -3.272 -1.801 1.00 3.04 H new ATOM 0 HG21 ILE A 9 3.494 -5.217 -1.085 1.00 71.01 H new ATOM 0 HG22 ILE A 9 2.807 -6.818 -1.449 1.00 71.01 H new ATOM 0 HG23 ILE A 9 3.184 -5.689 -2.772 1.00 71.01 H new ATOM 0 HD11 ILE A 9 2.257 -1.748 -1.474 1.00 34.24 H new ATOM 0 HD12 ILE A 9 2.127 -2.876 -0.104 1.00 34.24 H new ATOM 0 HD13 ILE A 9 3.376 -3.126 -1.347 1.00 34.24 H new ATOM 160 N VAL A 10 -1.711 -5.750 -1.388 1.00 61.33 N ATOM 161 CA VAL A 10 -3.154 -5.509 -1.213 1.00 61.13 C ATOM 162 C VAL A 10 -3.421 -4.438 -0.144 1.00 51.35 C ATOM 163 O VAL A 10 -2.925 -4.512 0.989 1.00 10.22 O ATOM 164 CB VAL A 10 -3.910 -6.859 -0.904 1.00 65.04 C ATOM 165 CG1 VAL A 10 -4.247 -7.587 -2.210 1.00 4.20 C ATOM 166 CG2 VAL A 10 -3.076 -7.785 0.028 1.00 50.11 C ATOM 0 H VAL A 10 -1.282 -6.232 -0.598 1.00 61.33 H new ATOM 0 HA VAL A 10 -3.550 -5.118 -2.150 1.00 61.13 H new ATOM 0 HB VAL A 10 -4.834 -6.610 -0.382 1.00 65.04 H new ATOM 0 HG11 VAL A 10 -4.768 -8.517 -1.984 1.00 4.20 H new ATOM 0 HG12 VAL A 10 -4.886 -6.953 -2.825 1.00 4.20 H new ATOM 0 HG13 VAL A 10 -3.327 -7.809 -2.751 1.00 4.20 H new ATOM 0 HG21 VAL A 10 -3.630 -8.704 0.218 1.00 50.11 H new ATOM 0 HG22 VAL A 10 -2.127 -8.025 -0.452 1.00 50.11 H new ATOM 0 HG23 VAL A 10 -2.886 -7.275 0.972 1.00 50.11 H new ATOM 176 N VAL A 11 -4.211 -3.434 -0.549 1.00 14.24 N ATOM 177 CA VAL A 11 -4.560 -2.254 0.254 1.00 74.43 C ATOM 178 C VAL A 11 -6.084 -2.032 0.184 1.00 33.53 C ATOM 179 O VAL A 11 -6.740 -2.467 -0.771 1.00 42.01 O ATOM 180 CB VAL A 11 -3.791 -0.968 -0.269 1.00 60.44 C ATOM 181 CG1 VAL A 11 -2.248 -1.135 -0.169 1.00 32.12 C ATOM 182 CG2 VAL A 11 -4.213 -0.597 -1.718 1.00 71.11 C ATOM 0 H VAL A 11 -4.639 -3.421 -1.475 1.00 14.24 H new ATOM 0 HA VAL A 11 -4.261 -2.424 1.288 1.00 74.43 H new ATOM 0 HB VAL A 11 -4.077 -0.144 0.385 1.00 60.44 H new ATOM 0 HG11 VAL A 11 -1.760 -0.233 -0.537 1.00 32.12 H new ATOM 0 HG12 VAL A 11 -1.967 -1.301 0.871 1.00 32.12 H new ATOM 0 HG13 VAL A 11 -1.935 -1.988 -0.771 1.00 32.12 H new ATOM 0 HG21 VAL A 11 -3.665 0.288 -2.041 1.00 71.11 H new ATOM 0 HG22 VAL A 11 -3.987 -1.428 -2.387 1.00 71.11 H new ATOM 0 HG23 VAL A 11 -5.283 -0.391 -1.744 1.00 71.11 H new ATOM 192 N GLY A 12 -6.650 -1.379 1.204 1.00 73.53 N ATOM 193 CA GLY A 12 -8.066 -1.015 1.190 1.00 31.44 C ATOM 194 C GLY A 12 -8.431 -0.036 2.288 1.00 24.43 C ATOM 195 O GLY A 12 -7.599 0.774 2.705 1.00 14.04 O ATOM 0 H GLY A 12 -6.150 -1.094 2.046 1.00 73.53 H new ATOM 0 HA2 GLY A 12 -8.315 -0.579 0.223 1.00 31.44 H new ATOM 0 HA3 GLY A 12 -8.669 -1.916 1.298 1.00 31.44 H new ATOM 199 N GLY A 13 -9.695 -0.101 2.735 1.00 72.43 N ATOM 200 CA GLY A 13 -10.232 0.782 3.773 1.00 63.24 C ATOM 201 C GLY A 13 -11.533 1.409 3.316 1.00 61.33 C ATOM 202 O GLY A 13 -11.998 1.116 2.202 1.00 12.14 O ATOM 0 H GLY A 13 -10.375 -0.774 2.381 1.00 72.43 H new ATOM 0 HA2 GLY A 13 -10.397 0.217 4.690 1.00 63.24 H new ATOM 0 HA3 GLY A 13 -9.507 1.562 4.005 1.00 63.24 H new ATOM 206 N GLU A 14 -12.132 2.270 4.156 1.00 41.32 N ATOM 207 CA GLU A 14 -13.406 2.930 3.830 1.00 51.32 C ATOM 208 C GLU A 14 -13.167 4.199 3.012 1.00 33.32 C ATOM 209 O GLU A 14 -12.304 5.020 3.343 1.00 42.11 O ATOM 210 CB GLU A 14 -14.250 3.226 5.096 1.00 3.23 C ATOM 211 CG GLU A 14 -14.878 1.958 5.705 1.00 73.02 C ATOM 212 CD GLU A 14 -15.784 2.224 6.911 1.00 53.11 C ATOM 213 OE1 GLU A 14 -15.312 2.836 7.891 1.00 14.23 O ATOM 214 OE2 GLU A 14 -16.974 1.819 6.889 1.00 44.42 O ATOM 0 H GLU A 14 -11.753 2.525 5.068 1.00 41.32 H new ATOM 0 HA GLU A 14 -13.985 2.236 3.220 1.00 51.32 H new ATOM 0 HB2 GLU A 14 -13.619 3.708 5.843 1.00 3.23 H new ATOM 0 HB3 GLU A 14 -15.041 3.932 4.843 1.00 3.23 H new ATOM 0 HG2 GLU A 14 -15.457 1.447 4.936 1.00 73.02 H new ATOM 0 HG3 GLU A 14 -14.080 1.280 6.007 1.00 73.02 H new ATOM 221 N LEU A 15 -13.930 4.293 1.923 1.00 11.21 N ATOM 222 CA LEU A 15 -13.993 5.455 1.036 1.00 13.10 C ATOM 223 C LEU A 15 -15.141 6.380 1.498 1.00 73.10 C ATOM 224 O LEU A 15 -15.932 6.017 2.383 1.00 14.44 O ATOM 225 CB LEU A 15 -14.223 4.983 -0.441 1.00 75.53 C ATOM 226 CG LEU A 15 -13.034 4.232 -1.166 1.00 25.21 C ATOM 227 CD1 LEU A 15 -11.738 5.062 -1.145 1.00 40.30 C ATOM 228 CD2 LEU A 15 -12.785 2.816 -0.602 1.00 31.33 C ATOM 0 H LEU A 15 -14.543 3.535 1.623 1.00 11.21 H new ATOM 0 HA LEU A 15 -13.053 6.006 1.077 1.00 13.10 H new ATOM 0 HB2 LEU A 15 -15.092 4.325 -0.451 1.00 75.53 H new ATOM 0 HB3 LEU A 15 -14.480 5.859 -1.037 1.00 75.53 H new ATOM 0 HG LEU A 15 -13.346 4.112 -2.203 1.00 25.21 H new ATOM 0 HD11 LEU A 15 -10.945 4.512 -1.653 1.00 40.30 H new ATOM 0 HD12 LEU A 15 -11.905 6.011 -1.655 1.00 40.30 H new ATOM 0 HD13 LEU A 15 -11.444 5.252 -0.113 1.00 40.30 H new ATOM 0 HD21 LEU A 15 -11.958 2.351 -1.139 1.00 31.33 H new ATOM 0 HD22 LEU A 15 -12.537 2.885 0.457 1.00 31.33 H new ATOM 0 HD23 LEU A 15 -13.684 2.212 -0.726 1.00 31.33 H new ATOM 240 N LYS A 16 -15.218 7.573 0.908 1.00 4.10 N ATOM 241 CA LYS A 16 -16.305 8.536 1.173 1.00 61.21 C ATOM 242 C LYS A 16 -17.574 8.119 0.417 1.00 35.01 C ATOM 243 O LYS A 16 -18.695 8.342 0.885 1.00 55.32 O ATOM 244 CB LYS A 16 -15.889 9.963 0.728 1.00 25.33 C ATOM 245 CG LYS A 16 -14.669 10.552 1.462 1.00 72.34 C ATOM 246 CD LYS A 16 -14.293 11.955 0.926 1.00 1.00 C ATOM 247 CE LYS A 16 -13.061 12.541 1.619 1.00 33.51 C ATOM 248 NZ LYS A 16 -13.267 12.728 3.075 1.00 2.45 N ATOM 0 H LYS A 16 -14.531 7.906 0.231 1.00 4.10 H new ATOM 0 HA LYS A 16 -16.504 8.541 2.245 1.00 61.21 H new ATOM 0 HB2 LYS A 16 -15.675 9.945 -0.341 1.00 25.33 H new ATOM 0 HB3 LYS A 16 -16.737 10.632 0.872 1.00 25.33 H new ATOM 0 HG2 LYS A 16 -14.884 10.617 2.529 1.00 72.34 H new ATOM 0 HG3 LYS A 16 -13.818 9.880 1.348 1.00 72.34 H new ATOM 0 HD2 LYS A 16 -14.106 11.892 -0.146 1.00 1.00 H new ATOM 0 HD3 LYS A 16 -15.138 12.630 1.063 1.00 1.00 H new ATOM 0 HE2 LYS A 16 -12.208 11.881 1.457 1.00 33.51 H new ATOM 0 HE3 LYS A 16 -12.813 13.500 1.164 1.00 33.51 H new ATOM 0 HZ1 LYS A 16 -12.446 13.220 3.481 1.00 2.45 H new ATOM 0 HZ2 LYS A 16 -14.124 13.295 3.234 1.00 2.45 H new ATOM 0 HZ3 LYS A 16 -13.376 11.800 3.532 1.00 2.45 H new ATOM 262 N ASP A 17 -17.370 7.494 -0.752 1.00 12.25 N ATOM 263 CA ASP A 17 -18.449 7.149 -1.691 1.00 64.31 C ATOM 264 C ASP A 17 -18.260 5.708 -2.206 1.00 71.21 C ATOM 265 O ASP A 17 -17.164 5.146 -2.111 1.00 3.21 O ATOM 266 CB ASP A 17 -18.470 8.176 -2.858 1.00 21.05 C ATOM 267 CG ASP A 17 -19.620 7.960 -3.857 1.00 61.31 C ATOM 268 OD1 ASP A 17 -20.765 8.361 -3.558 1.00 52.34 O ATOM 269 OD2 ASP A 17 -19.389 7.384 -4.941 1.00 43.42 O ATOM 0 H ASP A 17 -16.445 7.211 -1.075 1.00 12.25 H new ATOM 0 HA ASP A 17 -19.411 7.194 -1.181 1.00 64.31 H new ATOM 0 HB2 ASP A 17 -18.546 9.181 -2.443 1.00 21.05 H new ATOM 0 HB3 ASP A 17 -17.522 8.123 -3.393 1.00 21.05 H new ATOM 274 N VAL A 18 -19.356 5.123 -2.723 1.00 54.35 N ATOM 275 CA VAL A 18 -19.393 3.753 -3.273 1.00 4.04 C ATOM 276 C VAL A 18 -18.393 3.548 -4.445 1.00 73.54 C ATOM 277 O VAL A 18 -17.655 2.554 -4.475 1.00 12.03 O ATOM 278 CB VAL A 18 -20.863 3.384 -3.725 1.00 2.41 C ATOM 279 CG1 VAL A 18 -21.788 3.189 -2.501 1.00 10.02 C ATOM 280 CG2 VAL A 18 -21.458 4.449 -4.684 1.00 2.23 C ATOM 0 H VAL A 18 -20.258 5.597 -2.772 1.00 54.35 H new ATOM 0 HA VAL A 18 -19.081 3.080 -2.474 1.00 4.04 H new ATOM 0 HB VAL A 18 -20.801 2.442 -4.270 1.00 2.41 H new ATOM 0 HG11 VAL A 18 -22.792 2.936 -2.841 1.00 10.02 H new ATOM 0 HG12 VAL A 18 -21.402 2.382 -1.878 1.00 10.02 H new ATOM 0 HG13 VAL A 18 -21.823 4.111 -1.921 1.00 10.02 H new ATOM 0 HG21 VAL A 18 -22.468 4.157 -4.970 1.00 2.23 H new ATOM 0 HG22 VAL A 18 -21.488 5.415 -4.181 1.00 2.23 H new ATOM 0 HG23 VAL A 18 -20.836 4.524 -5.576 1.00 2.23 H new ATOM 290 N ALA A 19 -18.374 4.500 -5.388 1.00 14.32 N ATOM 291 CA ALA A 19 -17.467 4.472 -6.555 1.00 11.31 C ATOM 292 C ALA A 19 -16.309 5.457 -6.349 1.00 13.01 C ATOM 293 O ALA A 19 -15.229 5.290 -6.931 1.00 43.42 O ATOM 294 CB ALA A 19 -18.246 4.811 -7.835 1.00 72.04 C ATOM 0 H ALA A 19 -18.987 5.315 -5.367 1.00 14.32 H new ATOM 0 HA ALA A 19 -17.051 3.470 -6.658 1.00 11.31 H new ATOM 0 HB1 ALA A 19 -17.570 4.788 -8.689 1.00 72.04 H new ATOM 0 HB2 ALA A 19 -19.041 4.080 -7.982 1.00 72.04 H new ATOM 0 HB3 ALA A 19 -18.681 5.806 -7.743 1.00 72.04 H new ATOM 300 N GLY A 20 -16.562 6.476 -5.508 1.00 44.33 N ATOM 301 CA GLY A 20 -15.607 7.537 -5.234 1.00 60.22 C ATOM 302 C GLY A 20 -14.381 7.035 -4.488 1.00 41.35 C ATOM 303 O GLY A 20 -14.451 6.785 -3.279 1.00 4.02 O ATOM 0 H GLY A 20 -17.442 6.577 -5.003 1.00 44.33 H new ATOM 0 HA2 GLY A 20 -15.296 7.993 -6.174 1.00 60.22 H new ATOM 0 HA3 GLY A 20 -16.093 8.316 -4.647 1.00 60.22 H new ATOM 307 N VAL A 21 -13.270 6.863 -5.232 1.00 15.01 N ATOM 308 CA VAL A 21 -11.973 6.449 -4.693 1.00 15.24 C ATOM 309 C VAL A 21 -11.312 7.683 -4.056 1.00 35.12 C ATOM 310 O VAL A 21 -10.475 8.368 -4.665 1.00 63.52 O ATOM 311 CB VAL A 21 -11.043 5.798 -5.795 1.00 4.13 C ATOM 312 CG1 VAL A 21 -9.721 5.273 -5.181 1.00 21.01 C ATOM 313 CG2 VAL A 21 -11.791 4.675 -6.554 1.00 23.04 C ATOM 0 H VAL A 21 -13.256 7.012 -6.241 1.00 15.01 H new ATOM 0 HA VAL A 21 -12.125 5.673 -3.943 1.00 15.24 H new ATOM 0 HB VAL A 21 -10.784 6.576 -6.513 1.00 4.13 H new ATOM 0 HG11 VAL A 21 -9.106 4.832 -5.965 1.00 21.01 H new ATOM 0 HG12 VAL A 21 -9.182 6.099 -4.718 1.00 21.01 H new ATOM 0 HG13 VAL A 21 -9.944 4.518 -4.427 1.00 21.01 H new ATOM 0 HG21 VAL A 21 -11.131 4.243 -7.306 1.00 23.04 H new ATOM 0 HG22 VAL A 21 -12.096 3.900 -5.850 1.00 23.04 H new ATOM 0 HG23 VAL A 21 -12.674 5.090 -7.041 1.00 23.04 H new ATOM 323 N GLU A 22 -11.847 8.023 -2.876 1.00 72.32 N ATOM 324 CA GLU A 22 -11.366 9.079 -1.971 1.00 31.32 C ATOM 325 C GLU A 22 -11.565 8.578 -0.535 1.00 75.22 C ATOM 326 O GLU A 22 -12.704 8.410 -0.108 1.00 73.24 O ATOM 327 CB GLU A 22 -12.152 10.408 -2.183 1.00 45.52 C ATOM 328 CG GLU A 22 -11.944 11.053 -3.560 1.00 14.05 C ATOM 329 CD GLU A 22 -12.514 12.473 -3.673 1.00 61.42 C ATOM 330 OE1 GLU A 22 -13.741 12.621 -3.860 1.00 12.52 O ATOM 331 OE2 GLU A 22 -11.731 13.447 -3.586 1.00 61.50 O ATOM 0 H GLU A 22 -12.669 7.545 -2.507 1.00 72.32 H new ATOM 0 HA GLU A 22 -10.316 9.288 -2.173 1.00 31.32 H new ATOM 0 HB2 GLU A 22 -13.215 10.214 -2.043 1.00 45.52 H new ATOM 0 HB3 GLU A 22 -11.854 11.119 -1.413 1.00 45.52 H new ATOM 0 HG2 GLU A 22 -10.877 11.082 -3.780 1.00 14.05 H new ATOM 0 HG3 GLU A 22 -12.409 10.424 -4.319 1.00 14.05 H new ATOM 338 N PHE A 23 -10.462 8.288 0.177 1.00 73.34 N ATOM 339 CA PHE A 23 -10.496 7.694 1.534 1.00 42.22 C ATOM 340 C PHE A 23 -11.276 8.563 2.544 1.00 33.24 C ATOM 341 O PHE A 23 -11.015 9.757 2.676 1.00 32.31 O ATOM 342 CB PHE A 23 -9.053 7.452 2.042 1.00 65.14 C ATOM 343 CG PHE A 23 -8.224 6.521 1.149 1.00 3.31 C ATOM 344 CD1 PHE A 23 -8.715 5.266 0.779 1.00 73.42 C ATOM 345 CD2 PHE A 23 -6.954 6.888 0.694 1.00 13.44 C ATOM 346 CE1 PHE A 23 -7.969 4.414 -0.016 1.00 3.04 C ATOM 347 CE2 PHE A 23 -6.211 6.034 -0.099 1.00 11.55 C ATOM 348 CZ PHE A 23 -6.717 4.798 -0.457 1.00 53.05 C ATOM 0 H PHE A 23 -9.518 8.458 -0.169 1.00 73.34 H new ATOM 0 HA PHE A 23 -11.025 6.744 1.456 1.00 42.22 H new ATOM 0 HB2 PHE A 23 -8.542 8.411 2.122 1.00 65.14 H new ATOM 0 HB3 PHE A 23 -9.098 7.030 3.046 1.00 65.14 H new ATOM 0 HD1 PHE A 23 -9.692 4.956 1.119 1.00 73.42 H new ATOM 0 HD2 PHE A 23 -6.548 7.851 0.966 1.00 13.44 H new ATOM 0 HE1 PHE A 23 -8.366 3.448 -0.292 1.00 3.04 H new ATOM 0 HE2 PHE A 23 -5.231 6.333 -0.440 1.00 11.55 H new ATOM 0 HZ PHE A 23 -6.135 4.134 -1.080 1.00 53.05 H new ATOM 358 N ARG A 24 -12.248 7.943 3.229 1.00 73.23 N ATOM 359 CA ARG A 24 -13.008 8.584 4.319 1.00 63.14 C ATOM 360 C ARG A 24 -12.075 8.961 5.480 1.00 50.01 C ATOM 361 O ARG A 24 -12.181 10.053 6.056 1.00 42.12 O ATOM 362 CB ARG A 24 -14.136 7.642 4.814 1.00 52.30 C ATOM 363 CG ARG A 24 -15.041 8.236 5.913 1.00 4.30 C ATOM 364 CD ARG A 24 -16.221 7.320 6.288 1.00 1.35 C ATOM 365 NE ARG A 24 -17.157 7.982 7.217 1.00 30.01 N ATOM 366 CZ ARG A 24 -16.936 8.200 8.525 1.00 0.20 C ATOM 367 NH1 ARG A 24 -15.804 7.824 9.109 1.00 12.13 N ATOM 368 NH2 ARG A 24 -17.846 8.836 9.239 1.00 11.12 N ATOM 0 H ARG A 24 -12.532 6.981 3.044 1.00 73.23 H new ATOM 0 HA ARG A 24 -13.461 9.497 3.934 1.00 63.14 H new ATOM 0 HB2 ARG A 24 -14.757 7.364 3.963 1.00 52.30 H new ATOM 0 HB3 ARG A 24 -13.684 6.725 5.192 1.00 52.30 H new ATOM 0 HG2 ARG A 24 -14.442 8.429 6.803 1.00 4.30 H new ATOM 0 HG3 ARG A 24 -15.429 9.197 5.575 1.00 4.30 H new ATOM 0 HD2 ARG A 24 -16.754 7.026 5.384 1.00 1.35 H new ATOM 0 HD3 ARG A 24 -15.841 6.407 6.745 1.00 1.35 H new ATOM 0 HE ARG A 24 -18.047 8.301 6.834 1.00 30.01 H new ATOM 0 HH11 ARG A 24 -15.079 7.359 8.563 1.00 12.13 H new ATOM 0 HH12 ARG A 24 -15.660 8.001 10.103 1.00 12.13 H new ATOM 0 HH21 ARG A 24 -18.708 9.157 8.798 1.00 11.12 H new ATOM 0 HH22 ARG A 24 -17.688 9.006 10.232 1.00 11.12 H new ATOM 382 N ASP A 25 -11.159 8.038 5.810 1.00 52.41 N ATOM 383 CA ASP A 25 -10.174 8.215 6.873 1.00 55.11 C ATOM 384 C ASP A 25 -8.850 7.549 6.478 1.00 52.32 C ATOM 385 O ASP A 25 -8.811 6.347 6.188 1.00 44.41 O ATOM 386 CB ASP A 25 -10.696 7.602 8.193 1.00 74.32 C ATOM 387 CG ASP A 25 -11.825 8.402 8.862 1.00 51.32 C ATOM 388 OD1 ASP A 25 -11.569 9.534 9.318 1.00 3.14 O ATOM 389 OD2 ASP A 25 -12.971 7.901 8.934 1.00 75.50 O ATOM 0 H ASP A 25 -11.086 7.138 5.336 1.00 52.41 H new ATOM 0 HA ASP A 25 -10.007 9.282 7.021 1.00 55.11 H new ATOM 0 HB2 ASP A 25 -11.052 6.591 7.994 1.00 74.32 H new ATOM 0 HB3 ASP A 25 -9.865 7.515 8.893 1.00 74.32 H new ATOM 394 N LEU A 26 -7.774 8.350 6.492 1.00 50.03 N ATOM 395 CA LEU A 26 -6.393 7.924 6.213 1.00 20.01 C ATOM 396 C LEU A 26 -5.771 7.139 7.394 1.00 45.42 C ATOM 397 O LEU A 26 -4.629 6.677 7.309 1.00 21.52 O ATOM 398 CB LEU A 26 -5.552 9.187 5.896 1.00 22.20 C ATOM 399 CG LEU A 26 -5.861 9.929 4.546 1.00 62.30 C ATOM 400 CD1 LEU A 26 -5.449 9.080 3.324 1.00 55.30 C ATOM 401 CD2 LEU A 26 -7.326 10.408 4.414 1.00 41.22 C ATOM 0 H LEU A 26 -7.843 9.345 6.705 1.00 50.03 H new ATOM 0 HA LEU A 26 -6.400 7.244 5.361 1.00 20.01 H new ATOM 0 HB2 LEU A 26 -5.687 9.897 6.712 1.00 22.20 H new ATOM 0 HB3 LEU A 26 -4.500 8.902 5.893 1.00 22.20 H new ATOM 0 HG LEU A 26 -5.249 10.831 4.568 1.00 62.30 H new ATOM 0 HD11 LEU A 26 -5.678 9.625 2.408 1.00 55.30 H new ATOM 0 HD12 LEU A 26 -4.379 8.876 3.367 1.00 55.30 H new ATOM 0 HD13 LEU A 26 -5.999 8.139 3.333 1.00 55.30 H new ATOM 0 HD21 LEU A 26 -7.460 10.910 3.456 1.00 41.22 H new ATOM 0 HD22 LEU A 26 -7.996 9.550 4.470 1.00 41.22 H new ATOM 0 HD23 LEU A 26 -7.556 11.102 5.223 1.00 41.22 H new ATOM 413 N SER A 27 -6.517 7.046 8.508 1.00 61.42 N ATOM 414 CA SER A 27 -6.161 6.197 9.656 1.00 24.44 C ATOM 415 C SER A 27 -6.967 4.875 9.623 1.00 1.43 C ATOM 416 O SER A 27 -6.616 3.919 10.326 1.00 11.11 O ATOM 417 CB SER A 27 -6.398 6.969 10.978 1.00 31.33 C ATOM 418 OG SER A 27 -5.903 6.254 12.098 1.00 13.42 O ATOM 0 H SER A 27 -7.388 7.561 8.637 1.00 61.42 H new ATOM 0 HA SER A 27 -5.103 5.941 9.596 1.00 24.44 H new ATOM 0 HB2 SER A 27 -5.911 7.943 10.923 1.00 31.33 H new ATOM 0 HB3 SER A 27 -7.465 7.153 11.106 1.00 31.33 H new ATOM 0 HG SER A 27 -5.990 5.291 11.936 1.00 13.42 H new ATOM 424 N LYS A 28 -8.047 4.825 8.801 1.00 0.24 N ATOM 425 CA LYS A 28 -8.874 3.603 8.611 1.00 54.13 C ATOM 426 C LYS A 28 -8.567 2.924 7.261 1.00 63.54 C ATOM 427 O LYS A 28 -9.314 2.025 6.837 1.00 32.11 O ATOM 428 CB LYS A 28 -10.391 3.925 8.693 1.00 2.41 C ATOM 429 CG LYS A 28 -10.877 4.453 10.058 1.00 70.43 C ATOM 430 CD LYS A 28 -12.418 4.501 10.147 1.00 55.04 C ATOM 431 CE LYS A 28 -12.913 5.096 11.469 1.00 2.12 C ATOM 432 NZ LYS A 28 -12.551 6.534 11.596 1.00 15.32 N ATOM 0 H LYS A 28 -8.368 5.624 8.255 1.00 0.24 H new ATOM 0 HA LYS A 28 -8.616 2.919 9.419 1.00 54.13 H new ATOM 0 HB2 LYS A 28 -10.631 4.664 7.929 1.00 2.41 H new ATOM 0 HB3 LYS A 28 -10.951 3.022 8.450 1.00 2.41 H new ATOM 0 HG2 LYS A 28 -10.488 3.816 10.852 1.00 70.43 H new ATOM 0 HG3 LYS A 28 -10.473 5.452 10.224 1.00 70.43 H new ATOM 0 HD2 LYS A 28 -12.808 5.092 9.318 1.00 55.04 H new ATOM 0 HD3 LYS A 28 -12.816 3.493 10.035 1.00 55.04 H new ATOM 0 HE2 LYS A 28 -13.995 4.986 11.535 1.00 2.12 H new ATOM 0 HE3 LYS A 28 -12.485 4.538 12.302 1.00 2.12 H new ATOM 0 HZ1 LYS A 28 -13.016 6.936 12.435 1.00 15.32 H new ATOM 0 HZ2 LYS A 28 -11.520 6.625 11.695 1.00 15.32 H new ATOM 0 HZ3 LYS A 28 -12.864 7.047 10.747 1.00 15.32 H new ATOM 446 N VAL A 29 -7.496 3.370 6.573 1.00 75.22 N ATOM 447 CA VAL A 29 -7.010 2.720 5.344 1.00 12.03 C ATOM 448 C VAL A 29 -6.398 1.350 5.708 1.00 41.41 C ATOM 449 O VAL A 29 -5.201 1.222 5.989 1.00 51.11 O ATOM 450 CB VAL A 29 -6.003 3.637 4.528 1.00 31.14 C ATOM 451 CG1 VAL A 29 -6.747 4.847 3.932 1.00 14.24 C ATOM 452 CG2 VAL A 29 -4.810 4.116 5.393 1.00 20.34 C ATOM 0 H VAL A 29 -6.949 4.184 6.853 1.00 75.22 H new ATOM 0 HA VAL A 29 -7.855 2.561 4.673 1.00 12.03 H new ATOM 0 HB VAL A 29 -5.594 3.028 3.721 1.00 31.14 H new ATOM 0 HG11 VAL A 29 -6.045 5.468 3.375 1.00 14.24 H new ATOM 0 HG12 VAL A 29 -7.533 4.497 3.262 1.00 14.24 H new ATOM 0 HG13 VAL A 29 -7.191 5.434 4.736 1.00 14.24 H new ATOM 0 HG21 VAL A 29 -4.150 4.740 4.790 1.00 20.34 H new ATOM 0 HG22 VAL A 29 -5.183 4.694 6.239 1.00 20.34 H new ATOM 0 HG23 VAL A 29 -4.257 3.252 5.760 1.00 20.34 H new ATOM 462 N GLU A 30 -7.273 0.334 5.784 1.00 51.44 N ATOM 463 CA GLU A 30 -6.875 -1.010 6.194 1.00 0.33 C ATOM 464 C GLU A 30 -6.090 -1.684 5.067 1.00 34.30 C ATOM 465 O GLU A 30 -6.664 -2.130 4.064 1.00 63.32 O ATOM 466 CB GLU A 30 -8.085 -1.880 6.597 1.00 71.11 C ATOM 467 CG GLU A 30 -7.676 -3.258 7.166 1.00 24.33 C ATOM 468 CD GLU A 30 -8.866 -4.161 7.492 1.00 13.34 C ATOM 469 OE1 GLU A 30 -9.389 -4.104 8.621 1.00 42.53 O ATOM 470 OE2 GLU A 30 -9.274 -4.942 6.620 1.00 14.30 O ATOM 0 H GLU A 30 -8.265 0.426 5.564 1.00 51.44 H new ATOM 0 HA GLU A 30 -6.242 -0.912 7.076 1.00 0.33 H new ATOM 0 HB2 GLU A 30 -8.677 -1.347 7.341 1.00 71.11 H new ATOM 0 HB3 GLU A 30 -8.725 -2.028 5.727 1.00 71.11 H new ATOM 0 HG2 GLU A 30 -7.033 -3.764 6.445 1.00 24.33 H new ATOM 0 HG3 GLU A 30 -7.085 -3.108 8.070 1.00 24.33 H new ATOM 477 N PHE A 31 -4.768 -1.715 5.235 1.00 23.24 N ATOM 478 CA PHE A 31 -3.866 -2.405 4.325 1.00 34.02 C ATOM 479 C PHE A 31 -4.037 -3.904 4.554 1.00 51.25 C ATOM 480 O PHE A 31 -3.647 -4.418 5.606 1.00 44.01 O ATOM 481 CB PHE A 31 -2.409 -1.966 4.581 1.00 61.25 C ATOM 482 CG PHE A 31 -2.207 -0.455 4.477 1.00 5.35 C ATOM 483 CD1 PHE A 31 -2.143 0.166 3.234 1.00 0.00 C ATOM 484 CD2 PHE A 31 -2.094 0.342 5.615 1.00 1.40 C ATOM 485 CE1 PHE A 31 -1.972 1.529 3.126 1.00 73.30 C ATOM 486 CE2 PHE A 31 -1.921 1.706 5.505 1.00 45.31 C ATOM 487 CZ PHE A 31 -1.862 2.298 4.260 1.00 41.12 C ATOM 0 H PHE A 31 -4.294 -1.257 6.013 1.00 23.24 H new ATOM 0 HA PHE A 31 -4.100 -2.159 3.289 1.00 34.02 H new ATOM 0 HB2 PHE A 31 -2.105 -2.299 5.574 1.00 61.25 H new ATOM 0 HB3 PHE A 31 -1.756 -2.463 3.864 1.00 61.25 H new ATOM 0 HD1 PHE A 31 -2.229 -0.431 2.338 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -2.142 -0.113 6.593 1.00 1.40 H new ATOM 0 HE1 PHE A 31 -1.924 1.992 2.152 1.00 73.30 H new ATOM 0 HE2 PHE A 31 -1.832 2.312 6.395 1.00 45.31 H new ATOM 0 HZ PHE A 31 -1.729 3.367 4.176 1.00 41.12 H new ATOM 497 N VAL A 32 -4.664 -4.576 3.586 1.00 22.21 N ATOM 498 CA VAL A 32 -4.965 -6.020 3.652 1.00 54.51 C ATOM 499 C VAL A 32 -3.673 -6.844 3.911 1.00 74.31 C ATOM 500 O VAL A 32 -3.701 -7.895 4.563 1.00 14.31 O ATOM 501 CB VAL A 32 -5.668 -6.486 2.329 1.00 45.44 C ATOM 502 CG1 VAL A 32 -6.023 -7.991 2.348 1.00 70.12 C ATOM 503 CG2 VAL A 32 -6.906 -5.614 2.023 1.00 60.05 C ATOM 0 H VAL A 32 -4.983 -4.135 2.723 1.00 22.21 H new ATOM 0 HA VAL A 32 -5.644 -6.194 4.486 1.00 54.51 H new ATOM 0 HB VAL A 32 -4.951 -6.348 1.520 1.00 45.44 H new ATOM 0 HG11 VAL A 32 -6.507 -8.262 1.410 1.00 70.12 H new ATOM 0 HG12 VAL A 32 -5.113 -8.578 2.470 1.00 70.12 H new ATOM 0 HG13 VAL A 32 -6.700 -8.195 3.178 1.00 70.12 H new ATOM 0 HG21 VAL A 32 -7.375 -5.958 1.101 1.00 60.05 H new ATOM 0 HG22 VAL A 32 -7.619 -5.693 2.844 1.00 60.05 H new ATOM 0 HG23 VAL A 32 -6.599 -4.574 1.908 1.00 60.05 H new ATOM 513 N GLY A 33 -2.551 -6.308 3.403 1.00 33.13 N ATOM 514 CA GLY A 33 -1.212 -6.821 3.669 1.00 21.31 C ATOM 515 C GLY A 33 -0.478 -7.105 2.375 1.00 52.54 C ATOM 516 O GLY A 33 -0.564 -6.320 1.420 1.00 43.43 O ATOM 0 H GLY A 33 -2.557 -5.494 2.788 1.00 33.13 H new ATOM 0 HA2 GLY A 33 -0.651 -6.097 4.259 1.00 21.31 H new ATOM 0 HA3 GLY A 33 -1.278 -7.733 4.262 1.00 21.31 H new ATOM 520 N ALA A 34 0.238 -8.220 2.343 1.00 24.05 N ATOM 521 CA ALA A 34 0.895 -8.733 1.141 1.00 62.23 C ATOM 522 C ALA A 34 1.002 -10.251 1.258 1.00 35.22 C ATOM 523 O ALA A 34 0.795 -10.819 2.340 1.00 15.11 O ATOM 524 CB ALA A 34 2.278 -8.094 0.959 1.00 10.14 C ATOM 0 H ALA A 34 0.383 -8.807 3.165 1.00 24.05 H new ATOM 0 HA ALA A 34 0.305 -8.476 0.261 1.00 62.23 H new ATOM 0 HB1 ALA A 34 2.747 -8.491 0.059 1.00 10.14 H new ATOM 0 HB2 ALA A 34 2.170 -7.013 0.865 1.00 10.14 H new ATOM 0 HB3 ALA A 34 2.901 -8.323 1.824 1.00 10.14 H new ATOM 530 N TYR A 35 1.315 -10.901 0.141 1.00 33.41 N ATOM 531 CA TYR A 35 1.418 -12.367 0.038 1.00 3.15 C ATOM 532 C TYR A 35 2.643 -12.710 -0.816 1.00 35.42 C ATOM 533 O TYR A 35 3.090 -11.851 -1.538 1.00 71.52 O ATOM 534 CB TYR A 35 0.121 -12.923 -0.597 1.00 65.43 C ATOM 535 CG TYR A 35 -1.110 -12.860 0.317 1.00 44.41 C ATOM 536 CD1 TYR A 35 -1.397 -13.895 1.208 1.00 40.42 C ATOM 537 CD2 TYR A 35 -1.981 -11.766 0.295 1.00 72.13 C ATOM 538 CE1 TYR A 35 -2.503 -13.845 2.032 1.00 25.00 C ATOM 539 CE2 TYR A 35 -3.081 -11.715 1.121 1.00 24.52 C ATOM 540 CZ TYR A 35 -3.339 -12.753 1.984 1.00 35.30 C ATOM 541 OH TYR A 35 -4.447 -12.705 2.796 1.00 11.13 O ATOM 0 H TYR A 35 1.509 -10.422 -0.738 1.00 33.41 H new ATOM 0 HA TYR A 35 1.537 -12.819 1.023 1.00 3.15 H new ATOM 0 HB2 TYR A 35 -0.090 -12.365 -1.509 1.00 65.43 H new ATOM 0 HB3 TYR A 35 0.289 -13.960 -0.889 1.00 65.43 H new ATOM 0 HD1 TYR A 35 -0.741 -14.752 1.254 1.00 40.42 H new ATOM 0 HD2 TYR A 35 -1.787 -10.947 -0.382 1.00 72.13 H new ATOM 0 HE1 TYR A 35 -2.711 -14.659 2.711 1.00 25.00 H new ATOM 0 HE2 TYR A 35 -3.741 -10.860 1.091 1.00 24.52 H new ATOM 0 HH TYR A 35 -4.930 -11.867 2.640 1.00 11.13 H new ATOM 551 N PRO A 36 3.204 -13.963 -0.774 1.00 5.11 N ATOM 552 CA PRO A 36 4.394 -14.331 -1.602 1.00 30.20 C ATOM 553 C PRO A 36 4.098 -14.515 -3.123 1.00 72.45 C ATOM 554 O PRO A 36 4.985 -14.940 -3.874 1.00 73.54 O ATOM 555 CB PRO A 36 4.870 -15.652 -0.944 1.00 55.23 C ATOM 556 CG PRO A 36 3.634 -16.259 -0.356 1.00 35.12 C ATOM 557 CD PRO A 36 2.779 -15.097 0.108 1.00 63.41 C ATOM 0 HA PRO A 36 5.139 -13.536 -1.605 1.00 30.20 H new ATOM 0 HB2 PRO A 36 5.325 -16.317 -1.678 1.00 55.23 H new ATOM 0 HB3 PRO A 36 5.620 -15.463 -0.176 1.00 55.23 H new ATOM 0 HG2 PRO A 36 3.106 -16.862 -1.095 1.00 35.12 H new ATOM 0 HG3 PRO A 36 3.881 -16.919 0.476 1.00 35.12 H new ATOM 0 HD2 PRO A 36 1.716 -15.313 -0.003 1.00 63.41 H new ATOM 0 HD3 PRO A 36 2.950 -14.870 1.160 1.00 63.41 H new ATOM 565 N SER A 37 2.868 -14.171 -3.568 1.00 22.13 N ATOM 566 CA SER A 37 2.440 -14.301 -4.980 1.00 20.33 C ATOM 567 C SER A 37 1.265 -13.358 -5.282 1.00 24.31 C ATOM 568 O SER A 37 0.460 -13.047 -4.386 1.00 74.34 O ATOM 569 CB SER A 37 2.035 -15.755 -5.304 1.00 74.34 C ATOM 570 OG SER A 37 1.543 -15.880 -6.636 1.00 22.23 O ATOM 0 H SER A 37 2.143 -13.795 -2.957 1.00 22.13 H new ATOM 0 HA SER A 37 3.287 -14.025 -5.608 1.00 20.33 H new ATOM 0 HB2 SER A 37 2.895 -16.411 -5.171 1.00 74.34 H new ATOM 0 HB3 SER A 37 1.270 -16.085 -4.601 1.00 74.34 H new ATOM 0 HG SER A 37 1.298 -16.813 -6.808 1.00 22.23 H new ATOM 576 N TYR A 38 1.199 -12.897 -6.556 1.00 2.31 N ATOM 577 CA TYR A 38 0.101 -12.054 -7.066 1.00 44.52 C ATOM 578 C TYR A 38 -1.242 -12.763 -6.904 1.00 61.44 C ATOM 579 O TYR A 38 -2.194 -12.149 -6.469 1.00 64.44 O ATOM 580 CB TYR A 38 0.314 -11.663 -8.566 1.00 44.24 C ATOM 581 CG TYR A 38 -0.948 -11.093 -9.264 1.00 22.00 C ATOM 582 CD1 TYR A 38 -1.338 -9.768 -9.081 1.00 22.44 C ATOM 583 CD2 TYR A 38 -1.773 -11.903 -10.064 1.00 0.20 C ATOM 584 CE1 TYR A 38 -2.493 -9.272 -9.660 1.00 51.15 C ATOM 585 CE2 TYR A 38 -2.920 -11.407 -10.649 1.00 32.21 C ATOM 586 CZ TYR A 38 -3.279 -10.094 -10.443 1.00 4.45 C ATOM 587 OH TYR A 38 -4.435 -9.605 -11.013 1.00 1.42 O ATOM 0 H TYR A 38 1.911 -13.103 -7.257 1.00 2.31 H new ATOM 0 HA TYR A 38 0.100 -11.138 -6.475 1.00 44.52 H new ATOM 0 HB2 TYR A 38 1.113 -10.924 -8.626 1.00 44.24 H new ATOM 0 HB3 TYR A 38 0.651 -12.543 -9.114 1.00 44.24 H new ATOM 0 HD1 TYR A 38 -0.727 -9.115 -8.475 1.00 22.44 H new ATOM 0 HD2 TYR A 38 -1.503 -12.936 -10.224 1.00 0.20 H new ATOM 0 HE1 TYR A 38 -2.779 -8.243 -9.500 1.00 51.15 H new ATOM 0 HE2 TYR A 38 -3.534 -12.046 -11.266 1.00 32.21 H new ATOM 0 HH TYR A 38 -4.868 -10.314 -11.533 1.00 1.42 H new ATOM 597 N ASP A 39 -1.280 -14.052 -7.291 1.00 54.31 N ATOM 598 CA ASP A 39 -2.500 -14.891 -7.260 1.00 3.33 C ATOM 599 C ASP A 39 -3.125 -14.925 -5.848 1.00 45.14 C ATOM 600 O ASP A 39 -4.351 -14.861 -5.692 1.00 2.40 O ATOM 601 CB ASP A 39 -2.147 -16.320 -7.745 1.00 63.25 C ATOM 602 CG ASP A 39 -3.317 -17.324 -7.666 1.00 1.11 C ATOM 603 OD1 ASP A 39 -4.112 -17.413 -8.624 1.00 55.50 O ATOM 604 OD2 ASP A 39 -3.441 -18.042 -6.651 1.00 32.43 O ATOM 0 H ASP A 39 -0.459 -14.548 -7.638 1.00 54.31 H new ATOM 0 HA ASP A 39 -3.244 -14.457 -7.928 1.00 3.33 H new ATOM 0 HB2 ASP A 39 -1.799 -16.266 -8.777 1.00 63.25 H new ATOM 0 HB3 ASP A 39 -1.317 -16.699 -7.148 1.00 63.25 H new ATOM 609 N GLU A 40 -2.241 -14.994 -4.844 1.00 2.33 N ATOM 610 CA GLU A 40 -2.609 -14.986 -3.423 1.00 74.12 C ATOM 611 C GLU A 40 -3.216 -13.633 -3.009 1.00 34.12 C ATOM 612 O GLU A 40 -4.238 -13.588 -2.307 1.00 22.40 O ATOM 613 CB GLU A 40 -1.359 -15.301 -2.569 1.00 73.11 C ATOM 614 CG GLU A 40 -0.740 -16.685 -2.805 1.00 15.41 C ATOM 615 CD GLU A 40 -1.690 -17.833 -2.431 1.00 41.01 C ATOM 616 OE1 GLU A 40 -1.991 -17.984 -1.229 1.00 23.45 O ATOM 617 OE2 GLU A 40 -2.144 -18.579 -3.323 1.00 43.22 O ATOM 0 H GLU A 40 -1.235 -15.058 -4.999 1.00 2.33 H new ATOM 0 HA GLU A 40 -3.368 -15.750 -3.255 1.00 74.12 H new ATOM 0 HB2 GLU A 40 -0.602 -14.543 -2.768 1.00 73.11 H new ATOM 0 HB3 GLU A 40 -1.627 -15.215 -1.516 1.00 73.11 H new ATOM 0 HG2 GLU A 40 -0.460 -16.779 -3.854 1.00 15.41 H new ATOM 0 HG3 GLU A 40 0.176 -16.773 -2.221 1.00 15.41 H new ATOM 624 N ALA A 41 -2.587 -12.533 -3.471 1.00 33.11 N ATOM 625 CA ALA A 41 -3.033 -11.166 -3.170 1.00 50.31 C ATOM 626 C ALA A 41 -4.332 -10.835 -3.939 1.00 74.22 C ATOM 627 O ALA A 41 -5.235 -10.162 -3.436 1.00 21.34 O ATOM 628 CB ALA A 41 -1.899 -10.196 -3.525 1.00 72.32 C ATOM 0 H ALA A 41 -1.757 -12.572 -4.062 1.00 33.11 H new ATOM 0 HA ALA A 41 -3.263 -11.071 -2.109 1.00 50.31 H new ATOM 0 HB1 ALA A 41 -2.212 -9.175 -3.308 1.00 72.32 H new ATOM 0 HB2 ALA A 41 -1.015 -10.438 -2.934 1.00 72.32 H new ATOM 0 HB3 ALA A 41 -1.662 -10.285 -4.585 1.00 72.32 H new ATOM 634 N HIS A 42 -4.430 -11.413 -5.136 1.00 23.51 N ATOM 635 CA HIS A 42 -5.532 -11.191 -6.072 1.00 40.51 C ATOM 636 C HIS A 42 -6.814 -11.801 -5.506 1.00 3.11 C ATOM 637 O HIS A 42 -7.880 -11.198 -5.581 1.00 41.40 O ATOM 638 CB HIS A 42 -5.162 -11.821 -7.441 1.00 72.31 C ATOM 639 CG HIS A 42 -6.212 -11.721 -8.508 1.00 73.43 C ATOM 640 ND1 HIS A 42 -6.384 -12.684 -9.473 1.00 52.14 N ATOM 641 CD2 HIS A 42 -7.114 -10.757 -8.786 1.00 43.33 C ATOM 642 CE1 HIS A 42 -7.334 -12.319 -10.295 1.00 72.25 C ATOM 643 NE2 HIS A 42 -7.802 -11.158 -9.899 1.00 13.34 N ATOM 0 H HIS A 42 -3.729 -12.064 -5.490 1.00 23.51 H new ATOM 0 HA HIS A 42 -5.703 -10.124 -6.215 1.00 40.51 H new ATOM 0 HB2 HIS A 42 -4.253 -11.344 -7.806 1.00 72.31 H new ATOM 0 HB3 HIS A 42 -4.928 -12.874 -7.284 1.00 72.31 H new ATOM 0 HD1 HIS A 42 -5.852 -13.552 -9.538 1.00 52.14 H new ATOM 0 HD2 HIS A 42 -7.265 -9.841 -8.234 1.00 43.33 H new ATOM 0 HE1 HIS A 42 -7.675 -12.878 -11.154 1.00 72.25 H new ATOM 652 N LYS A 43 -6.678 -12.989 -4.913 1.00 31.23 N ATOM 653 CA LYS A 43 -7.802 -13.710 -4.309 1.00 12.42 C ATOM 654 C LYS A 43 -8.244 -13.025 -3.000 1.00 52.31 C ATOM 655 O LYS A 43 -9.438 -13.006 -2.670 1.00 62.13 O ATOM 656 CB LYS A 43 -7.394 -15.183 -4.059 1.00 33.33 C ATOM 657 CG LYS A 43 -8.571 -16.135 -3.750 1.00 42.02 C ATOM 658 CD LYS A 43 -9.627 -16.184 -4.888 1.00 42.53 C ATOM 659 CE LYS A 43 -9.042 -16.628 -6.247 1.00 62.21 C ATOM 660 NZ LYS A 43 -8.370 -17.954 -6.184 1.00 51.22 N ATOM 0 H LYS A 43 -5.786 -13.479 -4.838 1.00 31.23 H new ATOM 0 HA LYS A 43 -8.651 -13.693 -4.992 1.00 12.42 H new ATOM 0 HB2 LYS A 43 -6.866 -15.554 -4.937 1.00 33.33 H new ATOM 0 HB3 LYS A 43 -6.691 -15.215 -3.227 1.00 33.33 H new ATOM 0 HG2 LYS A 43 -8.183 -17.139 -3.578 1.00 42.02 H new ATOM 0 HG3 LYS A 43 -9.055 -15.818 -2.826 1.00 42.02 H new ATOM 0 HD2 LYS A 43 -10.426 -16.869 -4.603 1.00 42.53 H new ATOM 0 HD3 LYS A 43 -10.077 -15.197 -4.999 1.00 42.53 H new ATOM 0 HE2 LYS A 43 -9.842 -16.667 -6.986 1.00 62.21 H new ATOM 0 HE3 LYS A 43 -8.327 -15.880 -6.591 1.00 62.21 H new ATOM 0 HZ1 LYS A 43 -8.012 -18.207 -7.127 1.00 51.22 H new ATOM 0 HZ2 LYS A 43 -7.576 -17.910 -5.513 1.00 51.22 H new ATOM 0 HZ3 LYS A 43 -9.051 -18.674 -5.867 1.00 51.22 H new ATOM 674 N ALA A 44 -7.256 -12.445 -2.290 1.00 30.23 N ATOM 675 CA ALA A 44 -7.472 -11.712 -1.027 1.00 23.22 C ATOM 676 C ALA A 44 -8.417 -10.508 -1.212 1.00 15.12 C ATOM 677 O ALA A 44 -9.187 -10.191 -0.309 1.00 54.14 O ATOM 678 CB ALA A 44 -6.131 -11.244 -0.460 1.00 65.12 C ATOM 0 H ALA A 44 -6.278 -12.472 -2.579 1.00 30.23 H new ATOM 0 HA ALA A 44 -7.948 -12.397 -0.325 1.00 23.22 H new ATOM 0 HB1 ALA A 44 -6.299 -10.704 0.472 1.00 65.12 H new ATOM 0 HB2 ALA A 44 -5.495 -12.108 -0.269 1.00 65.12 H new ATOM 0 HB3 ALA A 44 -5.642 -10.586 -1.178 1.00 65.12 H new ATOM 684 N TRP A 45 -8.343 -9.865 -2.399 1.00 32.34 N ATOM 685 CA TRP A 45 -9.205 -8.719 -2.785 1.00 33.02 C ATOM 686 C TRP A 45 -10.712 -9.056 -2.573 1.00 62.05 C ATOM 687 O TRP A 45 -11.429 -8.333 -1.866 1.00 62.14 O ATOM 688 CB TRP A 45 -8.879 -8.295 -4.276 1.00 22.22 C ATOM 689 CG TRP A 45 -10.083 -7.910 -5.135 1.00 42.02 C ATOM 690 CD1 TRP A 45 -10.735 -6.705 -5.177 1.00 24.25 C ATOM 691 CD2 TRP A 45 -10.792 -8.775 -6.044 1.00 54.11 C ATOM 692 NE1 TRP A 45 -11.798 -6.779 -6.043 1.00 32.54 N ATOM 693 CE2 TRP A 45 -11.858 -8.032 -6.582 1.00 33.25 C ATOM 694 CE3 TRP A 45 -10.624 -10.107 -6.454 1.00 30.32 C ATOM 695 CZ2 TRP A 45 -12.753 -8.580 -7.497 1.00 41.04 C ATOM 696 CZ3 TRP A 45 -11.509 -10.640 -7.359 1.00 10.43 C ATOM 697 CH2 TRP A 45 -12.560 -9.885 -7.868 1.00 73.14 C ATOM 0 H TRP A 45 -7.677 -10.128 -3.125 1.00 32.34 H new ATOM 0 HA TRP A 45 -8.991 -7.867 -2.140 1.00 33.02 H new ATOM 0 HB2 TRP A 45 -8.189 -7.451 -4.252 1.00 22.22 H new ATOM 0 HB3 TRP A 45 -8.358 -9.119 -4.763 1.00 22.22 H new ATOM 0 HD1 TRP A 45 -10.454 -5.828 -4.613 1.00 24.25 H new ATOM 0 HE1 TRP A 45 -12.443 -6.016 -6.251 1.00 32.54 H new ATOM 0 HE3 TRP A 45 -9.812 -10.703 -6.064 1.00 30.32 H new ATOM 0 HZ2 TRP A 45 -13.569 -7.998 -7.899 1.00 41.04 H new ATOM 0 HZ3 TRP A 45 -11.386 -11.664 -7.681 1.00 10.43 H new ATOM 0 HH2 TRP A 45 -13.241 -10.338 -8.573 1.00 73.14 H new ATOM 708 N LYS A 46 -11.162 -10.173 -3.175 1.00 21.02 N ATOM 709 CA LYS A 46 -12.586 -10.601 -3.140 1.00 43.25 C ATOM 710 C LYS A 46 -12.933 -11.241 -1.796 1.00 62.24 C ATOM 711 O LYS A 46 -14.080 -11.153 -1.345 1.00 50.31 O ATOM 712 CB LYS A 46 -12.869 -11.562 -4.319 1.00 34.21 C ATOM 713 CG LYS A 46 -14.283 -12.181 -4.380 1.00 11.21 C ATOM 714 CD LYS A 46 -14.470 -13.109 -5.604 1.00 44.32 C ATOM 715 CE LYS A 46 -15.872 -13.739 -5.653 1.00 3.45 C ATOM 716 NZ LYS A 46 -16.021 -14.664 -6.803 1.00 63.32 N ATOM 0 H LYS A 46 -10.557 -10.806 -3.699 1.00 21.02 H new ATOM 0 HA LYS A 46 -13.224 -9.724 -3.249 1.00 43.25 H new ATOM 0 HB2 LYS A 46 -12.693 -11.022 -5.249 1.00 34.21 H new ATOM 0 HB3 LYS A 46 -12.143 -12.374 -4.279 1.00 34.21 H new ATOM 0 HG2 LYS A 46 -14.468 -12.747 -3.467 1.00 11.21 H new ATOM 0 HG3 LYS A 46 -15.024 -11.383 -4.416 1.00 11.21 H new ATOM 0 HD2 LYS A 46 -14.298 -12.540 -6.518 1.00 44.32 H new ATOM 0 HD3 LYS A 46 -13.720 -13.900 -5.575 1.00 44.32 H new ATOM 0 HE2 LYS A 46 -16.060 -14.279 -4.725 1.00 3.45 H new ATOM 0 HE3 LYS A 46 -16.622 -12.951 -5.721 1.00 3.45 H new ATOM 0 HZ1 LYS A 46 -16.979 -15.068 -6.801 1.00 63.32 H new ATOM 0 HZ2 LYS A 46 -15.866 -14.143 -7.690 1.00 63.32 H new ATOM 0 HZ3 LYS A 46 -15.322 -15.430 -6.725 1.00 63.32 H new ATOM 730 N ALA A 47 -11.921 -11.854 -1.152 1.00 10.51 N ATOM 731 CA ALA A 47 -12.057 -12.415 0.202 1.00 54.53 C ATOM 732 C ALA A 47 -12.471 -11.310 1.180 1.00 42.30 C ATOM 733 O ALA A 47 -13.355 -11.506 2.007 1.00 2.02 O ATOM 734 CB ALA A 47 -10.747 -13.088 0.654 1.00 73.14 C ATOM 0 H ALA A 47 -10.992 -11.973 -1.555 1.00 10.51 H new ATOM 0 HA ALA A 47 -12.832 -13.181 0.189 1.00 54.53 H new ATOM 0 HB1 ALA A 47 -10.874 -13.494 1.657 1.00 73.14 H new ATOM 0 HB2 ALA A 47 -10.496 -13.894 -0.035 1.00 73.14 H new ATOM 0 HB3 ALA A 47 -9.943 -12.352 0.660 1.00 73.14 H new ATOM 740 N LYS A 48 -11.862 -10.130 1.000 1.00 35.12 N ATOM 741 CA LYS A 48 -12.126 -8.939 1.816 1.00 33.12 C ATOM 742 C LYS A 48 -13.474 -8.314 1.463 1.00 23.10 C ATOM 743 O LYS A 48 -14.247 -7.964 2.351 1.00 45.13 O ATOM 744 CB LYS A 48 -10.991 -7.909 1.611 1.00 23.23 C ATOM 745 CG LYS A 48 -9.628 -8.351 2.165 1.00 24.54 C ATOM 746 CD LYS A 48 -9.643 -8.578 3.685 1.00 32.35 C ATOM 747 CE LYS A 48 -10.043 -7.320 4.454 1.00 1.41 C ATOM 748 NZ LYS A 48 -10.033 -7.552 5.912 1.00 3.23 N ATOM 0 H LYS A 48 -11.163 -9.975 0.274 1.00 35.12 H new ATOM 0 HA LYS A 48 -12.162 -9.239 2.863 1.00 33.12 H new ATOM 0 HB2 LYS A 48 -10.888 -7.707 0.545 1.00 23.23 H new ATOM 0 HB3 LYS A 48 -11.277 -6.971 2.087 1.00 23.23 H new ATOM 0 HG2 LYS A 48 -9.321 -9.272 1.669 1.00 24.54 H new ATOM 0 HG3 LYS A 48 -8.881 -7.595 1.923 1.00 24.54 H new ATOM 0 HD2 LYS A 48 -10.338 -9.383 3.923 1.00 32.35 H new ATOM 0 HD3 LYS A 48 -8.655 -8.902 4.012 1.00 32.35 H new ATOM 0 HE2 LYS A 48 -9.357 -6.509 4.209 1.00 1.41 H new ATOM 0 HE3 LYS A 48 -11.038 -7.002 4.142 1.00 1.41 H new ATOM 0 HZ1 LYS A 48 -9.769 -6.673 6.402 1.00 3.23 H new ATOM 0 HZ2 LYS A 48 -10.980 -7.850 6.223 1.00 3.23 H new ATOM 0 HZ3 LYS A 48 -9.344 -8.296 6.140 1.00 3.23 H new ATOM 762 N ALA A 49 -13.739 -8.203 0.157 1.00 71.42 N ATOM 763 CA ALA A 49 -14.982 -7.605 -0.373 1.00 45.21 C ATOM 764 C ALA A 49 -16.243 -8.384 0.080 1.00 4.40 C ATOM 765 O ALA A 49 -17.329 -7.808 0.217 1.00 51.33 O ATOM 766 CB ALA A 49 -14.901 -7.538 -1.904 1.00 20.43 C ATOM 0 H ALA A 49 -13.099 -8.525 -0.569 1.00 71.42 H new ATOM 0 HA ALA A 49 -15.076 -6.597 0.032 1.00 45.21 H new ATOM 0 HB1 ALA A 49 -15.817 -7.097 -2.298 1.00 20.43 H new ATOM 0 HB2 ALA A 49 -14.048 -6.925 -2.197 1.00 20.43 H new ATOM 0 HB3 ALA A 49 -14.780 -8.544 -2.306 1.00 20.43 H new ATOM 772 N GLN A 50 -16.076 -9.700 0.295 1.00 71.41 N ATOM 773 CA GLN A 50 -17.153 -10.601 0.762 1.00 61.11 C ATOM 774 C GLN A 50 -17.151 -10.749 2.295 1.00 50.43 C ATOM 775 O GLN A 50 -18.163 -11.163 2.879 1.00 41.24 O ATOM 776 CB GLN A 50 -16.989 -11.989 0.095 1.00 10.12 C ATOM 777 CG GLN A 50 -17.235 -12.002 -1.424 1.00 35.34 C ATOM 778 CD GLN A 50 -17.033 -13.374 -2.080 1.00 4.43 C ATOM 779 OE1 GLN A 50 -17.735 -13.725 -3.028 1.00 44.42 O ATOM 780 NE2 GLN A 50 -16.037 -14.130 -1.638 1.00 63.24 N ATOM 0 H GLN A 50 -15.185 -10.175 0.150 1.00 71.41 H new ATOM 0 HA GLN A 50 -18.109 -10.162 0.477 1.00 61.11 H new ATOM 0 HB2 GLN A 50 -15.981 -12.354 0.290 1.00 10.12 H new ATOM 0 HB3 GLN A 50 -17.678 -12.689 0.568 1.00 10.12 H new ATOM 0 HG2 GLN A 50 -18.253 -11.664 -1.619 1.00 35.34 H new ATOM 0 HG3 GLN A 50 -16.565 -11.283 -1.896 1.00 35.34 H new ATOM 0 HE21 GLN A 50 -15.470 -13.817 -0.850 1.00 63.24 H new ATOM 0 HE22 GLN A 50 -15.838 -15.025 -2.086 1.00 63.24 H new ATOM 789 N ALA A 51 -16.014 -10.435 2.937 1.00 21.45 N ATOM 790 CA ALA A 51 -15.864 -10.554 4.403 1.00 60.31 C ATOM 791 C ALA A 51 -16.440 -9.324 5.118 1.00 52.34 C ATOM 792 O ALA A 51 -17.098 -9.450 6.149 1.00 5.13 O ATOM 793 CB ALA A 51 -14.385 -10.742 4.781 1.00 33.12 C ATOM 0 H ALA A 51 -15.178 -10.094 2.463 1.00 21.45 H new ATOM 0 HA ALA A 51 -16.424 -11.431 4.726 1.00 60.31 H new ATOM 0 HB1 ALA A 51 -14.294 -10.828 5.864 1.00 33.12 H new ATOM 0 HB2 ALA A 51 -14.002 -11.648 4.312 1.00 33.12 H new ATOM 0 HB3 ALA A 51 -13.809 -9.883 4.435 1.00 33.12 H new ATOM 799 N THR A 52 -16.197 -8.134 4.539 1.00 73.20 N ATOM 800 CA THR A 52 -16.517 -6.836 5.161 1.00 45.10 C ATOM 801 C THR A 52 -17.837 -6.269 4.598 1.00 43.13 C ATOM 802 O THR A 52 -17.971 -5.056 4.373 1.00 63.23 O ATOM 803 CB THR A 52 -15.327 -5.837 4.936 1.00 53.12 C ATOM 804 OG1 THR A 52 -15.157 -5.589 3.531 1.00 31.44 O ATOM 805 CG2 THR A 52 -14.001 -6.382 5.515 1.00 21.03 C ATOM 0 H THR A 52 -15.769 -8.046 3.617 1.00 73.20 H new ATOM 0 HA THR A 52 -16.655 -6.978 6.233 1.00 45.10 H new ATOM 0 HB THR A 52 -15.574 -4.912 5.457 1.00 53.12 H new ATOM 0 HG1 THR A 52 -14.807 -6.395 3.097 1.00 31.44 H new ATOM 0 HG21 THR A 52 -13.203 -5.661 5.338 1.00 21.03 H new ATOM 0 HG22 THR A 52 -14.112 -6.545 6.587 1.00 21.03 H new ATOM 0 HG23 THR A 52 -13.752 -7.325 5.028 1.00 21.03 H new ATOM 813 N VAL A 53 -18.821 -7.167 4.412 1.00 24.11 N ATOM 814 CA VAL A 53 -20.185 -6.813 3.942 1.00 55.14 C ATOM 815 C VAL A 53 -20.925 -5.882 4.935 1.00 5.31 C ATOM 816 O VAL A 53 -21.843 -5.156 4.549 1.00 50.20 O ATOM 817 CB VAL A 53 -21.048 -8.104 3.686 1.00 42.41 C ATOM 818 CG1 VAL A 53 -20.525 -8.893 2.464 1.00 53.45 C ATOM 819 CG2 VAL A 53 -21.118 -9.003 4.949 1.00 13.23 C ATOM 0 H VAL A 53 -18.698 -8.165 4.583 1.00 24.11 H new ATOM 0 HA VAL A 53 -20.058 -6.273 3.004 1.00 55.14 H new ATOM 0 HB VAL A 53 -22.064 -7.779 3.462 1.00 42.41 H new ATOM 0 HG11 VAL A 53 -21.141 -9.779 2.312 1.00 53.45 H new ATOM 0 HG12 VAL A 53 -20.572 -8.262 1.576 1.00 53.45 H new ATOM 0 HG13 VAL A 53 -19.493 -9.195 2.640 1.00 53.45 H new ATOM 0 HG21 VAL A 53 -21.722 -9.885 4.735 1.00 13.23 H new ATOM 0 HG22 VAL A 53 -20.112 -9.312 5.232 1.00 13.23 H new ATOM 0 HG23 VAL A 53 -21.570 -8.444 5.769 1.00 13.23 H new ATOM 829 N ASP A 54 -20.506 -5.939 6.207 1.00 63.45 N ATOM 830 CA ASP A 54 -21.023 -5.080 7.294 1.00 35.33 C ATOM 831 C ASP A 54 -20.733 -3.584 7.028 1.00 44.40 C ATOM 832 O ASP A 54 -21.526 -2.714 7.396 1.00 34.42 O ATOM 833 CB ASP A 54 -20.391 -5.535 8.639 1.00 64.52 C ATOM 834 CG ASP A 54 -20.790 -4.673 9.845 1.00 51.03 C ATOM 835 OD1 ASP A 54 -21.936 -4.791 10.324 1.00 74.44 O ATOM 836 OD2 ASP A 54 -19.971 -3.859 10.308 1.00 60.30 O ATOM 0 H ASP A 54 -19.787 -6.592 6.520 1.00 63.45 H new ATOM 0 HA ASP A 54 -22.107 -5.187 7.342 1.00 35.33 H new ATOM 0 HB2 ASP A 54 -20.681 -6.568 8.833 1.00 64.52 H new ATOM 0 HB3 ASP A 54 -19.306 -5.522 8.540 1.00 64.52 H new ATOM 841 N ASN A 55 -19.593 -3.312 6.373 1.00 23.42 N ATOM 842 CA ASN A 55 -19.130 -1.942 6.066 1.00 21.13 C ATOM 843 C ASN A 55 -19.920 -1.307 4.914 1.00 71.23 C ATOM 844 O ASN A 55 -20.481 -2.006 4.066 1.00 21.13 O ATOM 845 CB ASN A 55 -17.630 -1.966 5.708 1.00 74.24 C ATOM 846 CG ASN A 55 -16.723 -2.261 6.900 1.00 1.24 C ATOM 847 OD1 ASN A 55 -16.478 -3.419 7.241 1.00 70.13 O ATOM 848 ND2 ASN A 55 -16.196 -1.214 7.526 1.00 43.30 N ATOM 0 H ASN A 55 -18.960 -4.038 6.038 1.00 23.42 H new ATOM 0 HA ASN A 55 -19.296 -1.335 6.956 1.00 21.13 H new ATOM 0 HB2 ASN A 55 -17.461 -2.719 4.938 1.00 74.24 H new ATOM 0 HB3 ASN A 55 -17.352 -1.003 5.279 1.00 74.24 H new ATOM 0 HD21 ASN A 55 -15.567 -1.356 8.316 1.00 43.30 H new ATOM 0 HD22 ASN A 55 -16.421 -0.268 7.217 1.00 43.30 H new ATOM 855 N ALA A 56 -19.926 0.036 4.893 1.00 35.22 N ATOM 856 CA ALA A 56 -20.614 0.832 3.866 1.00 2.55 C ATOM 857 C ALA A 56 -19.762 0.946 2.586 1.00 40.32 C ATOM 858 O ALA A 56 -20.143 0.439 1.527 1.00 54.54 O ATOM 859 CB ALA A 56 -20.944 2.227 4.425 1.00 71.01 C ATOM 0 H ALA A 56 -19.449 0.603 5.594 1.00 35.22 H new ATOM 0 HA ALA A 56 -21.542 0.326 3.599 1.00 2.55 H new ATOM 0 HB1 ALA A 56 -21.454 2.814 3.661 1.00 71.01 H new ATOM 0 HB2 ALA A 56 -21.591 2.126 5.297 1.00 71.01 H new ATOM 0 HB3 ALA A 56 -20.022 2.731 4.714 1.00 71.01 H new ATOM 865 N HIS A 57 -18.597 1.620 2.700 1.00 30.52 N ATOM 866 CA HIS A 57 -17.746 1.969 1.538 1.00 35.32 C ATOM 867 C HIS A 57 -16.343 1.361 1.653 1.00 63.11 C ATOM 868 O HIS A 57 -15.429 1.796 0.950 1.00 3.21 O ATOM 869 CB HIS A 57 -17.640 3.515 1.396 1.00 52.14 C ATOM 870 CG HIS A 57 -18.954 4.243 1.283 1.00 73.41 C ATOM 871 ND1 HIS A 57 -19.244 5.394 1.985 1.00 20.41 N ATOM 872 CD2 HIS A 57 -20.042 3.989 0.526 1.00 21.11 C ATOM 873 CE1 HIS A 57 -20.455 5.808 1.665 1.00 11.01 C ATOM 874 NE2 HIS A 57 -20.958 4.977 0.777 1.00 13.23 N ATOM 0 H HIS A 57 -18.220 1.936 3.594 1.00 30.52 H new ATOM 0 HA HIS A 57 -18.219 1.551 0.650 1.00 35.32 H new ATOM 0 HB2 HIS A 57 -17.100 3.906 2.258 1.00 52.14 H new ATOM 0 HB3 HIS A 57 -17.041 3.742 0.514 1.00 52.14 H new ATOM 0 HD2 HIS A 57 -20.168 3.159 -0.153 1.00 21.11 H new ATOM 0 HE1 HIS A 57 -20.950 6.681 2.064 1.00 11.01 H new ATOM 0 HE2 HIS A 57 -21.879 5.055 0.346 1.00 13.23 H new ATOM 883 N ALA A 58 -16.166 0.358 2.535 1.00 71.22 N ATOM 884 CA ALA A 58 -14.880 -0.359 2.655 1.00 54.31 C ATOM 885 C ALA A 58 -14.629 -1.188 1.396 1.00 12.35 C ATOM 886 O ALA A 58 -15.134 -2.310 1.255 1.00 62.45 O ATOM 887 CB ALA A 58 -14.807 -1.227 3.911 1.00 35.42 C ATOM 0 H ALA A 58 -16.891 0.027 3.171 1.00 71.22 H new ATOM 0 HA ALA A 58 -14.093 0.388 2.755 1.00 54.31 H new ATOM 0 HB1 ALA A 58 -13.841 -1.731 3.949 1.00 35.42 H new ATOM 0 HB2 ALA A 58 -14.924 -0.599 4.794 1.00 35.42 H new ATOM 0 HB3 ALA A 58 -15.604 -1.971 3.886 1.00 35.42 H new ATOM 893 N ARG A 59 -13.875 -0.597 0.473 1.00 1.23 N ATOM 894 CA ARG A 59 -13.626 -1.166 -0.846 1.00 41.34 C ATOM 895 C ARG A 59 -12.143 -1.516 -0.915 1.00 1.32 C ATOM 896 O ARG A 59 -11.281 -0.631 -0.948 1.00 44.21 O ATOM 897 CB ARG A 59 -14.043 -0.161 -1.953 1.00 74.20 C ATOM 898 CG ARG A 59 -14.299 -0.789 -3.334 1.00 4.32 C ATOM 899 CD ARG A 59 -15.520 -1.717 -3.325 1.00 52.54 C ATOM 900 NE ARG A 59 -15.714 -2.400 -4.616 1.00 52.32 N ATOM 901 CZ ARG A 59 -16.906 -2.711 -5.157 1.00 4.42 C ATOM 902 NH1 ARG A 59 -18.042 -2.403 -4.531 1.00 34.54 N ATOM 903 NH2 ARG A 59 -16.951 -3.347 -6.318 1.00 4.11 N ATOM 0 H ARG A 59 -13.415 0.301 0.623 1.00 1.23 H new ATOM 0 HA ARG A 59 -14.219 -2.066 -1.009 1.00 41.34 H new ATOM 0 HB2 ARG A 59 -14.947 0.356 -1.632 1.00 74.20 H new ATOM 0 HB3 ARG A 59 -13.262 0.593 -2.052 1.00 74.20 H new ATOM 0 HG2 ARG A 59 -14.450 0.001 -4.069 1.00 4.32 H new ATOM 0 HG3 ARG A 59 -13.419 -1.351 -3.646 1.00 4.32 H new ATOM 0 HD2 ARG A 59 -15.402 -2.461 -2.537 1.00 52.54 H new ATOM 0 HD3 ARG A 59 -16.412 -1.138 -3.085 1.00 52.54 H new ATOM 0 HE ARG A 59 -14.878 -2.657 -5.141 1.00 52.32 H new ATOM 0 HH11 ARG A 59 -18.015 -1.925 -3.630 1.00 34.54 H new ATOM 0 HH12 ARG A 59 -18.939 -2.645 -4.953 1.00 34.54 H new ATOM 0 HH21 ARG A 59 -16.086 -3.598 -6.796 1.00 4.11 H new ATOM 0 HH22 ARG A 59 -17.851 -3.586 -6.734 1.00 4.11 H new ATOM 917 N TYR A 60 -11.863 -2.814 -0.864 1.00 23.13 N ATOM 918 CA TYR A 60 -10.504 -3.349 -0.772 1.00 23.30 C ATOM 919 C TYR A 60 -9.980 -3.674 -2.166 1.00 33.20 C ATOM 920 O TYR A 60 -10.421 -4.634 -2.800 1.00 42.13 O ATOM 921 CB TYR A 60 -10.500 -4.580 0.157 1.00 13.23 C ATOM 922 CG TYR A 60 -10.865 -4.228 1.609 1.00 3.14 C ATOM 923 CD1 TYR A 60 -9.885 -3.842 2.522 1.00 1.31 C ATOM 924 CD2 TYR A 60 -12.186 -4.254 2.056 1.00 43.51 C ATOM 925 CE1 TYR A 60 -10.200 -3.503 3.816 1.00 11.34 C ATOM 926 CE2 TYR A 60 -12.502 -3.908 3.353 1.00 71.04 C ATOM 927 CZ TYR A 60 -11.510 -3.536 4.230 1.00 41.01 C ATOM 928 OH TYR A 60 -11.832 -3.196 5.528 1.00 44.42 O ATOM 0 H TYR A 60 -12.582 -3.537 -0.886 1.00 23.13 H new ATOM 0 HA TYR A 60 -9.834 -2.606 -0.340 1.00 23.30 H new ATOM 0 HB2 TYR A 60 -11.206 -5.319 -0.222 1.00 13.23 H new ATOM 0 HB3 TYR A 60 -9.513 -5.043 0.136 1.00 13.23 H new ATOM 0 HD1 TYR A 60 -8.853 -3.809 2.205 1.00 1.31 H new ATOM 0 HD2 TYR A 60 -12.972 -4.549 1.377 1.00 43.51 H new ATOM 0 HE1 TYR A 60 -9.421 -3.212 4.505 1.00 11.34 H new ATOM 0 HE2 TYR A 60 -13.531 -3.929 3.681 1.00 71.04 H new ATOM 0 HH TYR A 60 -11.208 -3.633 6.145 1.00 44.42 H new ATOM 938 N PHE A 61 -9.072 -2.820 -2.633 1.00 24.24 N ATOM 939 CA PHE A 61 -8.471 -2.890 -3.966 1.00 13.34 C ATOM 940 C PHE A 61 -7.105 -3.612 -3.909 1.00 65.31 C ATOM 941 O PHE A 61 -6.795 -4.323 -2.937 1.00 61.30 O ATOM 942 CB PHE A 61 -8.279 -1.451 -4.498 1.00 60.43 C ATOM 943 CG PHE A 61 -9.554 -0.650 -4.780 1.00 24.01 C ATOM 944 CD1 PHE A 61 -10.128 0.161 -3.802 1.00 44.23 C ATOM 945 CD2 PHE A 61 -10.136 -0.660 -6.046 1.00 22.13 C ATOM 946 CE1 PHE A 61 -11.244 0.925 -4.079 1.00 11.40 C ATOM 947 CE2 PHE A 61 -11.248 0.108 -6.326 1.00 41.35 C ATOM 948 CZ PHE A 61 -11.802 0.901 -5.342 1.00 32.40 C ATOM 0 H PHE A 61 -8.723 -2.037 -2.080 1.00 24.24 H new ATOM 0 HA PHE A 61 -9.128 -3.453 -4.630 1.00 13.34 H new ATOM 0 HB2 PHE A 61 -7.681 -0.897 -3.774 1.00 60.43 H new ATOM 0 HB3 PHE A 61 -7.698 -1.503 -5.419 1.00 60.43 H new ATOM 0 HD1 PHE A 61 -9.693 0.192 -2.814 1.00 44.23 H new ATOM 0 HD2 PHE A 61 -9.710 -1.279 -6.821 1.00 22.13 H new ATOM 0 HE1 PHE A 61 -11.681 1.542 -3.308 1.00 11.40 H new ATOM 0 HE2 PHE A 61 -11.684 0.088 -7.314 1.00 41.35 H new ATOM 0 HZ PHE A 61 -12.672 1.503 -5.560 1.00 32.40 H new ATOM 958 N ILE A 62 -6.295 -3.428 -4.974 1.00 42.10 N ATOM 959 CA ILE A 62 -4.920 -3.952 -5.066 1.00 31.42 C ATOM 960 C ILE A 62 -4.039 -2.829 -5.637 1.00 62.43 C ATOM 961 O ILE A 62 -4.540 -1.941 -6.343 1.00 54.35 O ATOM 962 CB ILE A 62 -4.820 -5.243 -5.990 1.00 63.14 C ATOM 963 CG1 ILE A 62 -5.980 -6.252 -5.711 1.00 12.14 C ATOM 964 CG2 ILE A 62 -3.456 -5.949 -5.813 1.00 15.15 C ATOM 965 CD1 ILE A 62 -6.002 -7.461 -6.631 1.00 23.24 C ATOM 0 H ILE A 62 -6.583 -2.906 -5.801 1.00 42.10 H new ATOM 0 HA ILE A 62 -4.589 -4.258 -4.074 1.00 31.42 H new ATOM 0 HB ILE A 62 -4.911 -4.900 -7.021 1.00 63.14 H new ATOM 0 HG12 ILE A 62 -5.903 -6.598 -4.680 1.00 12.14 H new ATOM 0 HG13 ILE A 62 -6.931 -5.726 -5.801 1.00 12.14 H new ATOM 0 HG21 ILE A 62 -3.415 -6.828 -6.456 1.00 15.15 H new ATOM 0 HG22 ILE A 62 -2.653 -5.263 -6.084 1.00 15.15 H new ATOM 0 HG23 ILE A 62 -3.337 -6.254 -4.773 1.00 15.15 H new ATOM 0 HD11 ILE A 62 -6.839 -8.106 -6.365 1.00 23.24 H new ATOM 0 HD12 ILE A 62 -6.113 -7.130 -7.664 1.00 23.24 H new ATOM 0 HD13 ILE A 62 -5.069 -8.015 -6.526 1.00 23.24 H new ATOM 977 N ILE A 63 -2.737 -2.866 -5.335 1.00 32.41 N ATOM 978 CA ILE A 63 -1.791 -1.818 -5.737 1.00 21.25 C ATOM 979 C ILE A 63 -0.482 -2.478 -6.227 1.00 43.44 C ATOM 980 O ILE A 63 -0.070 -3.522 -5.709 1.00 43.03 O ATOM 981 CB ILE A 63 -1.558 -0.788 -4.530 1.00 33.33 C ATOM 982 CG1 ILE A 63 -1.716 0.685 -5.012 1.00 14.01 C ATOM 983 CG2 ILE A 63 -0.206 -0.984 -3.804 1.00 53.44 C ATOM 984 CD1 ILE A 63 -1.642 1.738 -3.904 1.00 12.34 C ATOM 0 H ILE A 63 -2.308 -3.624 -4.804 1.00 32.41 H new ATOM 0 HA ILE A 63 -2.197 -1.236 -6.565 1.00 21.25 H new ATOM 0 HB ILE A 63 -2.334 -1.007 -3.797 1.00 33.33 H new ATOM 0 HG12 ILE A 63 -0.939 0.897 -5.747 1.00 14.01 H new ATOM 0 HG13 ILE A 63 -2.674 0.784 -5.523 1.00 14.01 H new ATOM 0 HG21 ILE A 63 -0.116 -0.254 -3.000 1.00 53.44 H new ATOM 0 HG22 ILE A 63 -0.159 -1.990 -3.388 1.00 53.44 H new ATOM 0 HG23 ILE A 63 0.611 -0.846 -4.513 1.00 53.44 H new ATOM 0 HD11 ILE A 63 -1.762 2.731 -4.337 1.00 12.34 H new ATOM 0 HD12 ILE A 63 -2.436 1.560 -3.179 1.00 12.34 H new ATOM 0 HD13 ILE A 63 -0.675 1.674 -3.406 1.00 12.34 H new ATOM 996 N HIS A 64 0.134 -1.887 -7.257 1.00 1.43 N ATOM 997 CA HIS A 64 1.422 -2.354 -7.796 1.00 33.13 C ATOM 998 C HIS A 64 2.566 -1.922 -6.862 1.00 44.43 C ATOM 999 O HIS A 64 2.757 -0.732 -6.609 1.00 14.23 O ATOM 1000 CB HIS A 64 1.646 -1.822 -9.239 1.00 44.04 C ATOM 1001 CG HIS A 64 1.537 -0.320 -9.389 1.00 52.02 C ATOM 1002 ND1 HIS A 64 2.542 0.556 -9.024 1.00 54.11 N ATOM 1003 CD2 HIS A 64 0.520 0.456 -9.835 1.00 62.53 C ATOM 1004 CE1 HIS A 64 2.149 1.790 -9.237 1.00 73.53 C ATOM 1005 NE2 HIS A 64 0.931 1.763 -9.737 1.00 11.14 N ATOM 0 H HIS A 64 -0.243 -1.073 -7.742 1.00 1.43 H new ATOM 0 HA HIS A 64 1.407 -3.443 -7.848 1.00 33.13 H new ATOM 0 HB2 HIS A 64 2.634 -2.135 -9.577 1.00 44.04 H new ATOM 0 HB3 HIS A 64 0.919 -2.292 -9.901 1.00 44.04 H new ATOM 0 HD1 HIS A 64 3.450 0.285 -8.647 1.00 54.11 H new ATOM 0 HD2 HIS A 64 -0.436 0.111 -10.200 1.00 62.53 H new ATOM 0 HE1 HIS A 64 2.728 2.679 -9.036 1.00 73.53 H new ATOM 1014 N ALA A 65 3.277 -2.902 -6.308 1.00 70.41 N ATOM 1015 CA ALA A 65 4.477 -2.656 -5.483 1.00 4.01 C ATOM 1016 C ALA A 65 5.766 -2.808 -6.313 1.00 13.01 C ATOM 1017 O ALA A 65 6.865 -2.522 -5.828 1.00 54.53 O ATOM 1018 CB ALA A 65 4.467 -3.609 -4.287 1.00 73.32 C ATOM 0 H ALA A 65 3.045 -3.890 -6.413 1.00 70.41 H new ATOM 0 HA ALA A 65 4.457 -1.629 -5.118 1.00 4.01 H new ATOM 0 HB1 ALA A 65 5.351 -3.432 -3.674 1.00 73.32 H new ATOM 0 HB2 ALA A 65 3.571 -3.435 -3.691 1.00 73.32 H new ATOM 0 HB3 ALA A 65 4.472 -4.639 -4.643 1.00 73.32 H new ATOM 1024 N HIS A 66 5.616 -3.280 -7.572 1.00 10.40 N ATOM 1025 CA HIS A 66 6.751 -3.503 -8.494 1.00 71.32 C ATOM 1026 C HIS A 66 7.298 -2.155 -9.006 1.00 43.53 C ATOM 1027 O HIS A 66 8.473 -2.049 -9.378 1.00 34.30 O ATOM 1028 CB HIS A 66 6.313 -4.430 -9.661 1.00 55.10 C ATOM 1029 CG HIS A 66 7.453 -4.986 -10.483 1.00 31.23 C ATOM 1030 ND1 HIS A 66 7.994 -6.235 -10.264 1.00 73.23 N ATOM 1031 CD2 HIS A 66 8.136 -4.473 -11.537 1.00 64.44 C ATOM 1032 CE1 HIS A 66 8.952 -6.463 -11.139 1.00 2.23 C ATOM 1033 NE2 HIS A 66 9.060 -5.408 -11.918 1.00 10.24 N ATOM 0 H HIS A 66 4.709 -3.516 -7.975 1.00 10.40 H new ATOM 0 HA HIS A 66 7.559 -4.001 -7.959 1.00 71.32 H new ATOM 0 HB2 HIS A 66 5.738 -5.261 -9.252 1.00 55.10 H new ATOM 0 HB3 HIS A 66 5.645 -3.874 -10.319 1.00 55.10 H new ATOM 0 HD2 HIS A 66 7.980 -3.506 -11.991 1.00 64.44 H new ATOM 0 HE1 HIS A 66 9.547 -7.362 -11.206 1.00 2.23 H new ATOM 0 HE2 HIS A 66 9.726 -5.304 -12.684 1.00 10.24 H new ATOM 1042 N LYS A 67 6.421 -1.135 -9.028 1.00 41.40 N ATOM 1043 CA LYS A 67 6.809 0.264 -9.267 1.00 74.42 C ATOM 1044 C LYS A 67 6.446 1.096 -8.031 1.00 32.11 C ATOM 1045 O LYS A 67 5.287 1.099 -7.587 1.00 54.15 O ATOM 1046 CB LYS A 67 6.122 0.851 -10.525 1.00 54.01 C ATOM 1047 CG LYS A 67 6.543 2.307 -10.842 1.00 54.24 C ATOM 1048 CD LYS A 67 5.946 2.844 -12.157 1.00 73.13 C ATOM 1049 CE LYS A 67 6.380 4.288 -12.445 1.00 60.25 C ATOM 1050 NZ LYS A 67 5.856 4.784 -13.745 1.00 61.24 N ATOM 0 H LYS A 67 5.420 -1.260 -8.880 1.00 41.40 H new ATOM 0 HA LYS A 67 7.884 0.297 -9.445 1.00 74.42 H new ATOM 0 HB2 LYS A 67 6.354 0.220 -11.383 1.00 54.01 H new ATOM 0 HB3 LYS A 67 5.041 0.816 -10.387 1.00 54.01 H new ATOM 0 HG2 LYS A 67 6.234 2.954 -10.021 1.00 54.24 H new ATOM 0 HG3 LYS A 67 7.630 2.359 -10.897 1.00 54.24 H new ATOM 0 HD2 LYS A 67 6.254 2.202 -12.982 1.00 73.13 H new ATOM 0 HD3 LYS A 67 4.858 2.797 -12.106 1.00 73.13 H new ATOM 0 HE2 LYS A 67 6.030 4.938 -11.643 1.00 60.25 H new ATOM 0 HE3 LYS A 67 7.469 4.344 -12.449 1.00 60.25 H new ATOM 0 HZ1 LYS A 67 6.174 5.762 -13.897 1.00 61.24 H new ATOM 0 HZ2 LYS A 67 6.210 4.181 -14.515 1.00 61.24 H new ATOM 0 HZ3 LYS A 67 4.816 4.756 -13.734 1.00 61.24 H new ATOM 1064 N LEU A 68 7.454 1.791 -7.496 1.00 61.33 N ATOM 1065 CA LEU A 68 7.352 2.619 -6.291 1.00 53.40 C ATOM 1066 C LEU A 68 7.784 4.057 -6.623 1.00 35.04 C ATOM 1067 O LEU A 68 8.857 4.272 -7.205 1.00 72.31 O ATOM 1068 CB LEU A 68 8.262 2.020 -5.186 1.00 73.31 C ATOM 1069 CG LEU A 68 7.944 0.551 -4.763 1.00 1.13 C ATOM 1070 CD1 LEU A 68 9.053 -0.058 -3.882 1.00 21.03 C ATOM 1071 CD2 LEU A 68 6.573 0.449 -4.068 1.00 60.45 C ATOM 0 H LEU A 68 8.390 1.793 -7.901 1.00 61.33 H new ATOM 0 HA LEU A 68 6.323 2.636 -5.933 1.00 53.40 H new ATOM 0 HB2 LEU A 68 9.295 2.063 -5.530 1.00 73.31 H new ATOM 0 HB3 LEU A 68 8.194 2.655 -4.303 1.00 73.31 H new ATOM 0 HG LEU A 68 7.904 -0.035 -5.681 1.00 1.13 H new ATOM 0 HD11 LEU A 68 8.785 -1.080 -3.614 1.00 21.03 H new ATOM 0 HD12 LEU A 68 9.994 -0.062 -4.432 1.00 21.03 H new ATOM 0 HD13 LEU A 68 9.165 0.537 -2.976 1.00 21.03 H new ATOM 0 HD21 LEU A 68 6.384 -0.587 -3.787 1.00 60.45 H new ATOM 0 HD22 LEU A 68 6.571 1.074 -3.175 1.00 60.45 H new ATOM 0 HD23 LEU A 68 5.793 0.788 -4.750 1.00 60.45 H new ATOM 1083 N LEU A 69 6.926 5.024 -6.283 1.00 14.12 N ATOM 1084 CA LEU A 69 7.238 6.453 -6.360 1.00 72.21 C ATOM 1085 C LEU A 69 8.192 6.822 -5.220 1.00 43.45 C ATOM 1086 O LEU A 69 8.081 6.278 -4.116 1.00 72.43 O ATOM 1087 CB LEU A 69 5.936 7.291 -6.234 1.00 63.11 C ATOM 1088 CG LEU A 69 4.849 7.057 -7.328 1.00 50.20 C ATOM 1089 CD1 LEU A 69 3.559 7.849 -7.007 1.00 11.02 C ATOM 1090 CD2 LEU A 69 5.393 7.398 -8.737 1.00 63.51 C ATOM 0 H LEU A 69 5.984 4.833 -5.942 1.00 14.12 H new ATOM 0 HA LEU A 69 7.707 6.667 -7.321 1.00 72.21 H new ATOM 0 HB2 LEU A 69 5.490 7.085 -5.261 1.00 63.11 H new ATOM 0 HB3 LEU A 69 6.207 8.347 -6.243 1.00 63.11 H new ATOM 0 HG LEU A 69 4.591 5.998 -7.327 1.00 50.20 H new ATOM 0 HD11 LEU A 69 2.818 7.668 -7.785 1.00 11.02 H new ATOM 0 HD12 LEU A 69 3.162 7.524 -6.045 1.00 11.02 H new ATOM 0 HD13 LEU A 69 3.787 8.914 -6.964 1.00 11.02 H new ATOM 0 HD21 LEU A 69 4.614 7.225 -9.479 1.00 63.51 H new ATOM 0 HD22 LEU A 69 5.697 8.444 -8.766 1.00 63.51 H new ATOM 0 HD23 LEU A 69 6.252 6.764 -8.959 1.00 63.51 H new ATOM 1102 N ASP A 70 9.115 7.741 -5.494 1.00 74.42 N ATOM 1103 CA ASP A 70 10.039 8.275 -4.484 1.00 41.11 C ATOM 1104 C ASP A 70 10.731 9.539 -5.037 1.00 2.10 C ATOM 1105 O ASP A 70 10.820 9.711 -6.256 1.00 64.12 O ATOM 1106 CB ASP A 70 11.083 7.196 -4.055 1.00 73.51 C ATOM 1107 CG ASP A 70 12.090 6.817 -5.151 1.00 2.23 C ATOM 1108 OD1 ASP A 70 11.668 6.403 -6.254 1.00 55.23 O ATOM 1109 OD2 ASP A 70 13.303 6.932 -4.918 1.00 74.32 O ATOM 0 H ASP A 70 9.247 8.140 -6.423 1.00 74.42 H new ATOM 0 HA ASP A 70 9.474 8.547 -3.592 1.00 41.11 H new ATOM 0 HB2 ASP A 70 11.630 7.563 -3.187 1.00 73.51 H new ATOM 0 HB3 ASP A 70 10.551 6.298 -3.741 1.00 73.51 H new ATOM 1114 N PRO A 71 11.202 10.465 -4.149 1.00 11.11 N ATOM 1115 CA PRO A 71 11.914 11.701 -4.567 1.00 12.31 C ATOM 1116 C PRO A 71 13.442 11.516 -4.745 1.00 62.40 C ATOM 1117 O PRO A 71 14.139 12.474 -5.100 1.00 64.51 O ATOM 1118 CB PRO A 71 11.624 12.625 -3.377 1.00 25.15 C ATOM 1119 CG PRO A 71 11.660 11.707 -2.207 1.00 33.43 C ATOM 1120 CD PRO A 71 11.039 10.411 -2.669 1.00 21.13 C ATOM 0 HA PRO A 71 11.585 12.062 -5.541 1.00 12.31 H new ATOM 0 HB2 PRO A 71 12.371 13.414 -3.291 1.00 25.15 H new ATOM 0 HB3 PRO A 71 10.654 13.113 -3.475 1.00 25.15 H new ATOM 0 HG2 PRO A 71 12.684 11.549 -1.868 1.00 33.43 H new ATOM 0 HG3 PRO A 71 11.107 12.126 -1.366 1.00 33.43 H new ATOM 0 HD2 PRO A 71 11.545 9.546 -2.239 1.00 21.13 H new ATOM 0 HD3 PRO A 71 9.990 10.342 -2.382 1.00 21.13 H new ATOM 1128 N SER A 72 13.959 10.307 -4.467 1.00 12.15 N ATOM 1129 CA SER A 72 15.398 10.023 -4.559 1.00 23.03 C ATOM 1130 C SER A 72 15.753 9.648 -6.016 1.00 22.04 C ATOM 1131 O SER A 72 16.390 10.433 -6.732 1.00 71.13 O ATOM 1132 CB SER A 72 15.789 8.900 -3.552 1.00 53.00 C ATOM 1133 OG SER A 72 17.197 8.776 -3.426 1.00 63.12 O ATOM 0 H SER A 72 13.396 9.508 -4.175 1.00 12.15 H new ATOM 0 HA SER A 72 15.972 10.910 -4.290 1.00 23.03 H new ATOM 0 HB2 SER A 72 15.354 9.118 -2.577 1.00 53.00 H new ATOM 0 HB3 SER A 72 15.368 7.951 -3.884 1.00 53.00 H new ATOM 0 HG SER A 72 17.407 8.064 -2.786 1.00 63.12 H new ATOM 1227 N GLN B 105 -7.532 14.816 0.453 1.00 23.42 N ATOM 1228 CA GLN B 105 -7.048 13.950 1.550 1.00 44.21 C ATOM 1229 C GLN B 105 -6.343 12.717 0.969 1.00 2.01 C ATOM 1230 O GLN B 105 -5.409 12.181 1.575 1.00 4.41 O ATOM 1231 CB GLN B 105 -8.222 13.546 2.506 1.00 15.52 C ATOM 1232 CG GLN B 105 -9.562 13.160 1.819 1.00 72.00 C ATOM 1233 CD GLN B 105 -9.561 11.879 0.976 1.00 51.51 C ATOM 1234 OE1 GLN B 105 -8.825 10.860 1.389 1.00 14.13 O flip ATOM 1235 NE2 GLN B 105 -10.234 11.807 -0.041 1.00 1.41 N flip ATOM 0 HA GLN B 105 -6.326 14.507 2.147 1.00 44.21 H new ATOM 0 HB2 GLN B 105 -7.894 12.704 3.115 1.00 15.52 H new ATOM 0 HB3 GLN B 105 -8.412 14.376 3.186 1.00 15.52 H new ATOM 0 HG2 GLN B 105 -10.323 13.058 2.592 1.00 72.00 H new ATOM 0 HG3 GLN B 105 -9.867 13.988 1.179 1.00 72.00 H new ATOM 0 HE21 GLN B 105 -10.794 12.606 -0.340 1.00 1.41 H new ATOM 0 HE22 GLN B 105 -10.236 10.948 -0.591 1.00 1.41 H new ATOM 1244 N LEU B 106 -6.834 12.260 -0.205 1.00 65.20 N ATOM 1245 CA LEU B 106 -6.248 11.146 -0.928 1.00 3.32 C ATOM 1246 C LEU B 106 -5.036 11.676 -1.682 1.00 53.40 C ATOM 1247 O LEU B 106 -5.053 12.775 -2.253 1.00 4.45 O ATOM 1248 CB LEU B 106 -7.282 10.449 -1.860 1.00 64.10 C ATOM 1249 CG LEU B 106 -6.770 9.146 -2.588 1.00 51.55 C ATOM 1250 CD1 LEU B 106 -7.901 8.124 -2.818 1.00 52.15 C ATOM 1251 CD2 LEU B 106 -6.058 9.470 -3.917 1.00 73.01 C ATOM 0 H LEU B 106 -7.649 12.665 -0.665 1.00 65.20 H new ATOM 0 HA LEU B 106 -5.931 10.368 -0.234 1.00 3.32 H new ATOM 0 HB2 LEU B 106 -8.162 10.193 -1.270 1.00 64.10 H new ATOM 0 HB3 LEU B 106 -7.603 11.165 -2.617 1.00 64.10 H new ATOM 0 HG LEU B 106 -6.042 8.691 -1.917 1.00 51.55 H new ATOM 0 HD11 LEU B 106 -7.500 7.245 -3.322 1.00 52.15 H new ATOM 0 HD12 LEU B 106 -8.326 7.830 -1.858 1.00 52.15 H new ATOM 0 HD13 LEU B 106 -8.678 8.574 -3.437 1.00 52.15 H new ATOM 0 HD21 LEU B 106 -5.722 8.545 -4.385 1.00 73.01 H new ATOM 0 HD22 LEU B 106 -6.750 9.983 -4.585 1.00 73.01 H new ATOM 0 HD23 LEU B 106 -5.198 10.111 -3.722 1.00 73.01 H new ATOM 1263 N LEU B 107 -4.008 10.843 -1.709 1.00 51.45 N ATOM 1264 CA LEU B 107 -2.659 11.257 -2.016 1.00 63.13 C ATOM 1265 C LEU B 107 -1.801 10.032 -2.361 1.00 32.45 C ATOM 1266 O LEU B 107 -2.328 8.957 -2.693 1.00 2.23 O ATOM 1267 CB LEU B 107 -2.108 12.089 -0.791 1.00 75.55 C ATOM 1268 CG LEU B 107 -1.929 11.391 0.643 1.00 55.50 C ATOM 1269 CD1 LEU B 107 -2.761 10.093 0.871 1.00 21.05 C ATOM 1270 CD2 LEU B 107 -0.452 11.129 0.967 1.00 54.44 C ATOM 0 H LEU B 107 -4.095 9.846 -1.514 1.00 51.45 H new ATOM 0 HA LEU B 107 -2.629 11.900 -2.895 1.00 63.13 H new ATOM 0 HB2 LEU B 107 -1.135 12.486 -1.081 1.00 75.55 H new ATOM 0 HB3 LEU B 107 -2.772 12.942 -0.655 1.00 75.55 H new ATOM 0 HG LEU B 107 -2.339 12.126 1.336 1.00 55.50 H new ATOM 0 HD11 LEU B 107 -2.564 9.706 1.871 1.00 21.05 H new ATOM 0 HD12 LEU B 107 -3.823 10.319 0.772 1.00 21.05 H new ATOM 0 HD13 LEU B 107 -2.479 9.345 0.130 1.00 21.05 H new ATOM 0 HD21 LEU B 107 -0.373 10.656 1.946 1.00 54.44 H new ATOM 0 HD22 LEU B 107 -0.025 10.471 0.210 1.00 54.44 H new ATOM 0 HD23 LEU B 107 0.092 12.074 0.976 1.00 54.44 H new ATOM 1282 N HIS B 108 -0.485 10.216 -2.313 1.00 71.15 N ATOM 1283 CA HIS B 108 0.491 9.147 -2.499 1.00 30.43 C ATOM 1284 C HIS B 108 0.791 8.498 -1.138 1.00 61.24 C ATOM 1285 O HIS B 108 1.598 9.024 -0.368 1.00 3.03 O ATOM 1286 CB HIS B 108 1.776 9.726 -3.148 1.00 10.13 C ATOM 1287 CG HIS B 108 1.578 10.278 -4.540 1.00 72.40 C ATOM 1288 ND1 HIS B 108 2.613 10.755 -5.310 1.00 50.41 N ATOM 1289 CD2 HIS B 108 0.457 10.432 -5.295 1.00 4.11 C ATOM 1290 CE1 HIS B 108 2.145 11.180 -6.465 1.00 71.41 C ATOM 1291 NE2 HIS B 108 0.838 10.998 -6.485 1.00 15.23 N ATOM 0 H HIS B 108 -0.060 11.127 -2.141 1.00 71.15 H new ATOM 0 HA HIS B 108 0.094 8.381 -3.165 1.00 30.43 H new ATOM 0 HB2 HIS B 108 2.166 10.518 -2.509 1.00 10.13 H new ATOM 0 HB3 HIS B 108 2.534 8.944 -3.185 1.00 10.13 H new ATOM 0 HD2 HIS B 108 -0.548 10.159 -5.010 1.00 4.11 H new ATOM 0 HE1 HIS B 108 2.733 11.607 -7.264 1.00 71.41 H new ATOM 0 HE2 HIS B 108 0.215 11.238 -7.256 1.00 15.23 H new ATOM 1300 N ILE B 109 0.086 7.389 -0.834 1.00 54.43 N ATOM 1301 CA ILE B 109 0.220 6.677 0.456 1.00 34.44 C ATOM 1302 C ILE B 109 1.617 6.039 0.584 1.00 40.43 C ATOM 1303 O ILE B 109 2.305 5.810 -0.413 1.00 61.31 O ATOM 1304 CB ILE B 109 -0.889 5.573 0.655 1.00 73.22 C ATOM 1305 CG1 ILE B 109 -0.724 4.410 -0.382 1.00 4.31 C ATOM 1306 CG2 ILE B 109 -2.301 6.203 0.584 1.00 12.24 C ATOM 1307 CD1 ILE B 109 -1.729 3.268 -0.256 1.00 75.13 C ATOM 0 H ILE B 109 -0.588 6.963 -1.470 1.00 54.43 H new ATOM 0 HA ILE B 109 0.087 7.424 1.239 1.00 34.44 H new ATOM 0 HB ILE B 109 -0.765 5.139 1.647 1.00 73.22 H new ATOM 0 HG12 ILE B 109 -0.800 4.828 -1.386 1.00 4.31 H new ATOM 0 HG13 ILE B 109 0.281 3.999 -0.283 1.00 4.31 H new ATOM 0 HG21 ILE B 109 -3.053 5.427 0.723 1.00 12.24 H new ATOM 0 HG22 ILE B 109 -2.404 6.953 1.368 1.00 12.24 H new ATOM 0 HG23 ILE B 109 -2.441 6.673 -0.389 1.00 12.24 H new ATOM 0 HD11 ILE B 109 -1.525 2.518 -1.020 1.00 75.13 H new ATOM 0 HD12 ILE B 109 -1.641 2.814 0.731 1.00 75.13 H new ATOM 0 HD13 ILE B 109 -2.739 3.656 -0.389 1.00 75.13 H new ATOM 1319 N VAL B 110 2.000 5.712 1.817 1.00 45.20 N ATOM 1320 CA VAL B 110 3.378 5.321 2.159 1.00 14.33 C ATOM 1321 C VAL B 110 3.457 3.854 2.607 1.00 11.42 C ATOM 1322 O VAL B 110 2.673 3.387 3.447 1.00 1.33 O ATOM 1323 CB VAL B 110 3.981 6.297 3.242 1.00 64.03 C ATOM 1324 CG1 VAL B 110 4.584 7.536 2.569 1.00 32.15 C ATOM 1325 CG2 VAL B 110 2.910 6.717 4.286 1.00 33.25 C ATOM 0 H VAL B 110 1.365 5.709 2.615 1.00 45.20 H new ATOM 0 HA VAL B 110 3.985 5.407 1.258 1.00 14.33 H new ATOM 0 HB VAL B 110 4.771 5.762 3.770 1.00 64.03 H new ATOM 0 HG11 VAL B 110 4.996 8.199 3.330 1.00 32.15 H new ATOM 0 HG12 VAL B 110 5.377 7.230 1.887 1.00 32.15 H new ATOM 0 HG13 VAL B 110 3.808 8.061 2.011 1.00 32.15 H new ATOM 0 HG21 VAL B 110 3.359 7.389 5.017 1.00 33.25 H new ATOM 0 HG22 VAL B 110 2.089 7.226 3.781 1.00 33.25 H new ATOM 0 HG23 VAL B 110 2.529 5.831 4.794 1.00 33.25 H new ATOM 1335 N VAL B 111 4.435 3.151 2.021 1.00 72.34 N ATOM 1336 CA VAL B 111 4.683 1.718 2.234 1.00 0.43 C ATOM 1337 C VAL B 111 6.179 1.432 2.045 1.00 3.44 C ATOM 1338 O VAL B 111 6.849 2.098 1.260 1.00 13.55 O ATOM 1339 CB VAL B 111 3.835 0.836 1.236 1.00 63.23 C ATOM 1340 CG1 VAL B 111 4.114 1.209 -0.239 1.00 62.40 C ATOM 1341 CG2 VAL B 111 4.051 -0.680 1.491 1.00 61.23 C ATOM 0 H VAL B 111 5.094 3.574 1.368 1.00 72.34 H new ATOM 0 HA VAL B 111 4.380 1.459 3.248 1.00 0.43 H new ATOM 0 HB VAL B 111 2.784 1.053 1.429 1.00 63.23 H new ATOM 0 HG11 VAL B 111 3.511 0.580 -0.894 1.00 62.40 H new ATOM 0 HG12 VAL B 111 3.857 2.255 -0.405 1.00 62.40 H new ATOM 0 HG13 VAL B 111 5.170 1.055 -0.460 1.00 62.40 H new ATOM 0 HG21 VAL B 111 3.452 -1.257 0.786 1.00 61.23 H new ATOM 0 HG22 VAL B 111 5.105 -0.925 1.357 1.00 61.23 H new ATOM 0 HG23 VAL B 111 3.748 -0.924 2.509 1.00 61.23 H new ATOM 1351 N GLY B 112 6.689 0.442 2.771 1.00 35.03 N ATOM 1352 CA GLY B 112 8.065 -0.001 2.631 1.00 73.42 C ATOM 1353 C GLY B 112 8.300 -1.302 3.364 1.00 55.44 C ATOM 1354 O GLY B 112 7.535 -2.254 3.193 1.00 32.40 O ATOM 0 H GLY B 112 6.157 -0.074 3.472 1.00 35.03 H new ATOM 0 HA2 GLY B 112 8.303 -0.128 1.575 1.00 73.42 H new ATOM 0 HA3 GLY B 112 8.737 0.764 3.019 1.00 73.42 H new ATOM 1358 N GLY B 113 9.345 -1.331 4.198 1.00 14.01 N ATOM 1359 CA GLY B 113 9.767 -2.529 4.919 1.00 43.51 C ATOM 1360 C GLY B 113 11.163 -2.905 4.503 1.00 72.41 C ATOM 1361 O GLY B 113 11.842 -2.103 3.853 1.00 30.34 O ATOM 0 H GLY B 113 9.925 -0.514 4.391 1.00 14.01 H new ATOM 0 HA2 GLY B 113 9.733 -2.349 5.994 1.00 43.51 H new ATOM 0 HA3 GLY B 113 9.081 -3.351 4.711 1.00 43.51 H new ATOM 1365 N GLU B 114 11.598 -4.125 4.829 1.00 23.11 N ATOM 1366 CA GLU B 114 12.974 -4.568 4.556 1.00 72.12 C ATOM 1367 C GLU B 114 13.044 -5.352 3.254 1.00 42.54 C ATOM 1368 O GLU B 114 12.145 -6.132 2.928 1.00 65.22 O ATOM 1369 CB GLU B 114 13.576 -5.364 5.745 1.00 71.13 C ATOM 1370 CG GLU B 114 13.944 -4.458 6.932 1.00 31.44 C ATOM 1371 CD GLU B 114 14.694 -5.174 8.051 1.00 52.44 C ATOM 1372 OE1 GLU B 114 15.917 -5.368 7.919 1.00 10.40 O ATOM 1373 OE2 GLU B 114 14.074 -5.522 9.073 1.00 33.00 O ATOM 0 H GLU B 114 11.017 -4.829 5.284 1.00 23.11 H new ATOM 0 HA GLU B 114 13.589 -3.676 4.439 1.00 72.12 H new ATOM 0 HB2 GLU B 114 12.860 -6.116 6.075 1.00 71.13 H new ATOM 0 HB3 GLU B 114 14.466 -5.897 5.409 1.00 71.13 H new ATOM 0 HG2 GLU B 114 14.556 -3.632 6.569 1.00 31.44 H new ATOM 0 HG3 GLU B 114 13.032 -4.023 7.340 1.00 31.44 H new ATOM 1380 N LEU B 115 14.110 -5.061 2.503 1.00 24.33 N ATOM 1381 CA LEU B 115 14.454 -5.703 1.233 1.00 31.41 C ATOM 1382 C LEU B 115 15.574 -6.736 1.452 1.00 1.41 C ATOM 1383 O LEU B 115 16.073 -6.911 2.573 1.00 50.33 O ATOM 1384 CB LEU B 115 14.868 -4.612 0.193 1.00 61.32 C ATOM 1385 CG LEU B 115 13.707 -3.935 -0.619 1.00 33.12 C ATOM 1386 CD1 LEU B 115 12.590 -3.366 0.282 1.00 62.32 C ATOM 1387 CD2 LEU B 115 14.271 -2.855 -1.560 1.00 20.01 C ATOM 0 H LEU B 115 14.783 -4.344 2.774 1.00 24.33 H new ATOM 0 HA LEU B 115 13.588 -6.235 0.839 1.00 31.41 H new ATOM 0 HB2 LEU B 115 15.416 -3.830 0.720 1.00 61.32 H new ATOM 0 HB3 LEU B 115 15.561 -5.064 -0.517 1.00 61.32 H new ATOM 0 HG LEU B 115 13.239 -4.717 -1.218 1.00 33.12 H new ATOM 0 HD11 LEU B 115 11.818 -2.912 -0.339 1.00 62.32 H new ATOM 0 HD12 LEU B 115 12.153 -4.171 0.873 1.00 62.32 H new ATOM 0 HD13 LEU B 115 13.009 -2.613 0.949 1.00 62.32 H new ATOM 0 HD21 LEU B 115 13.454 -2.395 -2.116 1.00 20.01 H new ATOM 0 HD22 LEU B 115 14.785 -2.094 -0.973 1.00 20.01 H new ATOM 0 HD23 LEU B 115 14.973 -3.311 -2.258 1.00 20.01 H new ATOM 1399 N LYS B 116 15.933 -7.437 0.378 1.00 61.25 N ATOM 1400 CA LYS B 116 17.036 -8.416 0.378 1.00 24.44 C ATOM 1401 C LYS B 116 18.354 -7.686 0.091 1.00 11.01 C ATOM 1402 O LYS B 116 19.427 -8.070 0.570 1.00 54.23 O ATOM 1403 CB LYS B 116 16.788 -9.492 -0.715 1.00 53.20 C ATOM 1404 CG LYS B 116 15.446 -10.231 -0.577 1.00 13.21 C ATOM 1405 CD LYS B 116 15.241 -11.323 -1.649 1.00 4.33 C ATOM 1406 CE LYS B 116 13.889 -12.032 -1.498 1.00 71.52 C ATOM 1407 NZ LYS B 116 13.745 -12.692 -0.170 1.00 11.24 N ATOM 0 H LYS B 116 15.469 -7.346 -0.526 1.00 61.25 H new ATOM 0 HA LYS B 116 17.089 -8.905 1.351 1.00 24.44 H new ATOM 0 HB2 LYS B 116 16.829 -9.015 -1.694 1.00 53.20 H new ATOM 0 HB3 LYS B 116 17.597 -10.222 -0.681 1.00 53.20 H new ATOM 0 HG2 LYS B 116 15.389 -10.686 0.412 1.00 13.21 H new ATOM 0 HG3 LYS B 116 14.632 -9.509 -0.643 1.00 13.21 H new ATOM 0 HD2 LYS B 116 15.306 -10.874 -2.640 1.00 4.33 H new ATOM 0 HD3 LYS B 116 16.044 -12.056 -1.578 1.00 4.33 H new ATOM 0 HE2 LYS B 116 13.084 -11.309 -1.632 1.00 71.52 H new ATOM 0 HE3 LYS B 116 13.782 -12.777 -2.286 1.00 71.52 H new ATOM 0 HZ1 LYS B 116 13.387 -13.660 -0.300 1.00 11.24 H new ATOM 0 HZ2 LYS B 116 14.671 -12.726 0.303 1.00 11.24 H new ATOM 0 HZ3 LYS B 116 13.077 -12.151 0.416 1.00 11.24 H new ATOM 1421 N ASP B 117 18.225 -6.607 -0.688 1.00 64.43 N ATOM 1422 CA ASP B 117 19.339 -5.817 -1.210 1.00 60.13 C ATOM 1423 C ASP B 117 18.828 -4.408 -1.575 1.00 25.32 C ATOM 1424 O ASP B 117 17.614 -4.181 -1.627 1.00 4.44 O ATOM 1425 CB ASP B 117 19.959 -6.548 -2.441 1.00 63.12 C ATOM 1426 CG ASP B 117 21.109 -5.781 -3.104 1.00 74.23 C ATOM 1427 OD1 ASP B 117 22.139 -5.549 -2.444 1.00 24.13 O ATOM 1428 OD2 ASP B 117 20.982 -5.401 -4.285 1.00 44.01 O ATOM 0 H ASP B 117 17.315 -6.251 -0.980 1.00 64.43 H new ATOM 0 HA ASP B 117 20.121 -5.710 -0.458 1.00 60.13 H new ATOM 0 HB2 ASP B 117 20.322 -7.526 -2.126 1.00 63.12 H new ATOM 0 HB3 ASP B 117 19.177 -6.721 -3.180 1.00 63.12 H new ATOM 1433 N VAL B 118 19.752 -3.453 -1.780 1.00 63.24 N ATOM 1434 CA VAL B 118 19.405 -2.074 -2.176 1.00 2.24 C ATOM 1435 C VAL B 118 19.259 -1.943 -3.710 1.00 24.41 C ATOM 1436 O VAL B 118 18.268 -1.378 -4.199 1.00 63.20 O ATOM 1437 CB VAL B 118 20.455 -1.031 -1.625 1.00 34.42 C ATOM 1438 CG1 VAL B 118 20.328 -0.865 -0.089 1.00 23.01 C ATOM 1439 CG2 VAL B 118 21.907 -1.402 -2.029 1.00 31.21 C ATOM 0 H VAL B 118 20.754 -3.612 -1.677 1.00 63.24 H new ATOM 0 HA VAL B 118 18.438 -1.847 -1.726 1.00 2.24 H new ATOM 0 HB VAL B 118 20.226 -0.071 -2.087 1.00 34.42 H new ATOM 0 HG11 VAL B 118 21.064 -0.141 0.261 1.00 23.01 H new ATOM 0 HG12 VAL B 118 19.326 -0.513 0.157 1.00 23.01 H new ATOM 0 HG13 VAL B 118 20.504 -1.825 0.397 1.00 23.01 H new ATOM 0 HG21 VAL B 118 22.597 -0.659 -1.630 1.00 31.21 H new ATOM 0 HG22 VAL B 118 22.157 -2.383 -1.626 1.00 31.21 H new ATOM 0 HG23 VAL B 118 21.988 -1.425 -3.116 1.00 31.21 H new ATOM 1449 N ALA B 119 20.247 -2.484 -4.457 1.00 63.00 N ATOM 1450 CA ALA B 119 20.323 -2.357 -5.934 1.00 22.41 C ATOM 1451 C ALA B 119 19.157 -3.093 -6.610 1.00 51.51 C ATOM 1452 O ALA B 119 18.702 -2.705 -7.693 1.00 63.43 O ATOM 1453 CB ALA B 119 21.676 -2.886 -6.444 1.00 61.31 C ATOM 0 H ALA B 119 21.015 -3.021 -4.055 1.00 63.00 H new ATOM 0 HA ALA B 119 20.244 -1.301 -6.194 1.00 22.41 H new ATOM 0 HB1 ALA B 119 21.720 -2.788 -7.529 1.00 61.31 H new ATOM 0 HB2 ALA B 119 22.485 -2.310 -5.994 1.00 61.31 H new ATOM 0 HB3 ALA B 119 21.783 -3.936 -6.170 1.00 61.31 H new ATOM 1459 N GLY B 120 18.695 -4.161 -5.946 1.00 43.11 N ATOM 1460 CA GLY B 120 17.499 -4.893 -6.346 1.00 34.21 C ATOM 1461 C GLY B 120 16.364 -4.619 -5.382 1.00 63.53 C ATOM 1462 O GLY B 120 16.505 -4.901 -4.187 1.00 45.00 O ATOM 0 H GLY B 120 19.147 -4.538 -5.113 1.00 43.11 H new ATOM 0 HA2 GLY B 120 17.206 -4.600 -7.354 1.00 34.21 H new ATOM 0 HA3 GLY B 120 17.711 -5.962 -6.373 1.00 34.21 H new ATOM 1466 N VAL B 121 15.244 -4.055 -5.885 1.00 61.41 N ATOM 1467 CA VAL B 121 14.044 -3.797 -5.083 1.00 60.12 C ATOM 1468 C VAL B 121 13.294 -5.130 -4.948 1.00 14.10 C ATOM 1469 O VAL B 121 12.355 -5.418 -5.678 1.00 43.54 O ATOM 1470 CB VAL B 121 13.108 -2.672 -5.696 1.00 50.24 C ATOM 1471 CG1 VAL B 121 11.910 -2.354 -4.757 1.00 51.45 C ATOM 1472 CG2 VAL B 121 13.910 -1.385 -6.028 1.00 3.44 C ATOM 0 H VAL B 121 15.154 -3.768 -6.860 1.00 61.41 H new ATOM 0 HA VAL B 121 14.344 -3.411 -4.109 1.00 60.12 H new ATOM 0 HB VAL B 121 12.704 -3.062 -6.630 1.00 50.24 H new ATOM 0 HG11 VAL B 121 11.290 -1.579 -5.208 1.00 51.45 H new ATOM 0 HG12 VAL B 121 11.315 -3.255 -4.609 1.00 51.45 H new ATOM 0 HG13 VAL B 121 12.285 -2.004 -3.795 1.00 51.45 H new ATOM 0 HG21 VAL B 121 13.238 -0.635 -6.446 1.00 3.44 H new ATOM 0 HG22 VAL B 121 14.367 -0.996 -5.118 1.00 3.44 H new ATOM 0 HG23 VAL B 121 14.689 -1.619 -6.754 1.00 3.44 H new ATOM 1482 N GLU B 122 13.839 -5.990 -4.096 1.00 44.24 N ATOM 1483 CA GLU B 122 13.290 -7.314 -3.799 1.00 22.22 C ATOM 1484 C GLU B 122 12.898 -7.322 -2.327 1.00 51.32 C ATOM 1485 O GLU B 122 13.786 -7.275 -1.481 1.00 32.14 O ATOM 1486 CB GLU B 122 14.372 -8.407 -4.056 1.00 32.34 C ATOM 1487 CG GLU B 122 15.076 -8.336 -5.423 1.00 63.01 C ATOM 1488 CD GLU B 122 14.156 -8.638 -6.620 1.00 22.14 C ATOM 1489 OE1 GLU B 122 13.927 -9.825 -6.913 1.00 0.44 O ATOM 1490 OE2 GLU B 122 13.668 -7.698 -7.287 1.00 33.33 O ATOM 0 H GLU B 122 14.694 -5.785 -3.579 1.00 44.24 H new ATOM 0 HA GLU B 122 12.429 -7.524 -4.434 1.00 22.22 H new ATOM 0 HB2 GLU B 122 15.128 -8.336 -3.274 1.00 32.34 H new ATOM 0 HB3 GLU B 122 13.904 -9.387 -3.959 1.00 32.34 H new ATOM 0 HG2 GLU B 122 15.503 -7.341 -5.549 1.00 63.01 H new ATOM 0 HG3 GLU B 122 15.906 -9.042 -5.429 1.00 63.01 H new ATOM 1497 N PHE B 123 11.592 -7.335 -2.019 1.00 55.40 N ATOM 1498 CA PHE B 123 11.118 -7.384 -0.614 1.00 24.23 C ATOM 1499 C PHE B 123 11.642 -8.660 0.071 1.00 13.11 C ATOM 1500 O PHE B 123 11.489 -9.754 -0.475 1.00 13.40 O ATOM 1501 CB PHE B 123 9.569 -7.337 -0.533 1.00 30.34 C ATOM 1502 CG PHE B 123 8.906 -6.066 -1.083 1.00 21.34 C ATOM 1503 CD1 PHE B 123 9.513 -4.814 -0.961 1.00 44.02 C ATOM 1504 CD2 PHE B 123 7.654 -6.127 -1.703 1.00 15.33 C ATOM 1505 CE1 PHE B 123 8.895 -3.672 -1.441 1.00 50.52 C ATOM 1506 CE2 PHE B 123 7.041 -4.986 -2.180 1.00 44.33 C ATOM 1507 CZ PHE B 123 7.660 -3.758 -2.053 1.00 40.33 C ATOM 0 H PHE B 123 10.845 -7.313 -2.713 1.00 55.40 H new ATOM 0 HA PHE B 123 11.506 -6.506 -0.098 1.00 24.23 H new ATOM 0 HB2 PHE B 123 9.170 -8.195 -1.075 1.00 30.34 H new ATOM 0 HB3 PHE B 123 9.275 -7.454 0.510 1.00 30.34 H new ATOM 0 HD1 PHE B 123 10.479 -4.736 -0.485 1.00 44.02 H new ATOM 0 HD2 PHE B 123 7.159 -7.081 -1.810 1.00 15.33 H new ATOM 0 HE1 PHE B 123 9.379 -2.712 -1.337 1.00 50.52 H new ATOM 0 HE2 PHE B 123 6.073 -5.054 -2.655 1.00 44.33 H new ATOM 0 HZ PHE B 123 7.180 -2.868 -2.431 1.00 40.33 H new ATOM 1517 N ARG B 124 12.286 -8.500 1.239 1.00 2.22 N ATOM 1518 CA ARG B 124 12.882 -9.624 1.990 1.00 55.13 C ATOM 1519 C ARG B 124 11.805 -10.638 2.368 1.00 22.13 C ATOM 1520 O ARG B 124 11.913 -11.826 2.044 1.00 54.55 O ATOM 1521 CB ARG B 124 13.638 -9.113 3.244 1.00 63.12 C ATOM 1522 CG ARG B 124 14.429 -10.185 4.018 1.00 4.35 C ATOM 1523 CD ARG B 124 15.233 -9.602 5.191 1.00 63.11 C ATOM 1524 NE ARG B 124 16.080 -10.627 5.826 1.00 72.44 N ATOM 1525 CZ ARG B 124 15.699 -11.450 6.814 1.00 71.02 C ATOM 1526 NH1 ARG B 124 14.474 -11.392 7.330 1.00 5.11 N ATOM 1527 NH2 ARG B 124 16.560 -12.338 7.275 1.00 44.51 N ATOM 0 H ARG B 124 12.409 -7.593 1.690 1.00 2.22 H new ATOM 0 HA ARG B 124 13.609 -10.123 1.349 1.00 55.13 H new ATOM 0 HB2 ARG B 124 14.328 -8.327 2.937 1.00 63.12 H new ATOM 0 HB3 ARG B 124 12.917 -8.657 3.922 1.00 63.12 H new ATOM 0 HG2 ARG B 124 13.737 -10.938 4.396 1.00 4.35 H new ATOM 0 HG3 ARG B 124 15.109 -10.692 3.334 1.00 4.35 H new ATOM 0 HD2 ARG B 124 15.857 -8.782 4.834 1.00 63.11 H new ATOM 0 HD3 ARG B 124 14.550 -9.184 5.930 1.00 63.11 H new ATOM 0 HE ARG B 124 17.037 -10.718 5.485 1.00 72.44 H new ATOM 0 HH11 ARG B 124 13.803 -10.711 6.974 1.00 5.11 H new ATOM 0 HH12 ARG B 124 14.206 -12.028 8.081 1.00 5.11 H new ATOM 0 HH21 ARG B 124 17.499 -12.391 6.880 1.00 44.51 H new ATOM 0 HH22 ARG B 124 16.286 -12.971 8.026 1.00 44.51 H new ATOM 1541 N ASP B 125 10.755 -10.137 3.029 1.00 72.01 N ATOM 1542 CA ASP B 125 9.572 -10.903 3.379 1.00 43.03 C ATOM 1543 C ASP B 125 8.348 -10.010 3.170 1.00 33.32 C ATOM 1544 O ASP B 125 8.342 -8.843 3.587 1.00 21.32 O ATOM 1545 CB ASP B 125 9.621 -11.366 4.852 1.00 5.04 C ATOM 1546 CG ASP B 125 10.848 -12.225 5.208 1.00 0.25 C ATOM 1547 OD1 ASP B 125 10.853 -13.432 4.884 1.00 40.31 O ATOM 1548 OD2 ASP B 125 11.811 -11.692 5.811 1.00 74.35 O ATOM 0 H ASP B 125 10.712 -9.166 3.338 1.00 72.01 H new ATOM 0 HA ASP B 125 9.522 -11.791 2.749 1.00 43.03 H new ATOM 0 HB2 ASP B 125 9.608 -10.487 5.497 1.00 5.04 H new ATOM 0 HB3 ASP B 125 8.718 -11.936 5.071 1.00 5.04 H new ATOM 1553 N LEU B 126 7.325 -10.573 2.532 1.00 14.01 N ATOM 1554 CA LEU B 126 6.021 -9.935 2.300 1.00 23.31 C ATOM 1555 C LEU B 126 5.171 -9.840 3.593 1.00 42.44 C ATOM 1556 O LEU B 126 4.076 -9.275 3.579 1.00 3.35 O ATOM 1557 CB LEU B 126 5.281 -10.738 1.203 1.00 51.12 C ATOM 1558 CG LEU B 126 5.851 -10.609 -0.252 1.00 43.24 C ATOM 1559 CD1 LEU B 126 5.695 -9.170 -0.786 1.00 72.24 C ATOM 1560 CD2 LEU B 126 7.304 -11.124 -0.405 1.00 45.53 C ATOM 0 H LEU B 126 7.377 -11.516 2.148 1.00 14.01 H new ATOM 0 HA LEU B 126 6.182 -8.907 1.974 1.00 23.31 H new ATOM 0 HB2 LEU B 126 5.292 -11.791 1.483 1.00 51.12 H new ATOM 0 HB3 LEU B 126 4.238 -10.422 1.192 1.00 51.12 H new ATOM 0 HG LEU B 126 5.245 -11.272 -0.870 1.00 43.24 H new ATOM 0 HD11 LEU B 126 6.099 -9.111 -1.797 1.00 72.24 H new ATOM 0 HD12 LEU B 126 4.639 -8.900 -0.801 1.00 72.24 H new ATOM 0 HD13 LEU B 126 6.237 -8.481 -0.138 1.00 72.24 H new ATOM 0 HD21 LEU B 126 7.627 -11.001 -1.439 1.00 45.53 H new ATOM 0 HD22 LEU B 126 7.963 -10.555 0.251 1.00 45.53 H new ATOM 0 HD23 LEU B 126 7.346 -12.179 -0.135 1.00 45.53 H new ATOM 1572 N SER B 127 5.673 -10.435 4.687 1.00 23.01 N ATOM 1573 CA SER B 127 5.102 -10.265 6.035 1.00 12.51 C ATOM 1574 C SER B 127 5.851 -9.145 6.799 1.00 61.13 C ATOM 1575 O SER B 127 5.313 -8.560 7.749 1.00 31.42 O ATOM 1576 CB SER B 127 5.170 -11.598 6.811 1.00 51.33 C ATOM 1577 OG SER B 127 4.451 -11.527 8.032 1.00 24.22 O ATOM 0 H SER B 127 6.487 -11.049 4.663 1.00 23.01 H new ATOM 0 HA SER B 127 4.056 -9.973 5.942 1.00 12.51 H new ATOM 0 HB2 SER B 127 4.764 -12.400 6.195 1.00 51.33 H new ATOM 0 HB3 SER B 127 6.211 -11.849 7.015 1.00 51.33 H new ATOM 0 HG SER B 127 4.512 -12.387 8.498 1.00 24.22 H new ATOM 1583 N LYS B 128 7.100 -8.853 6.371 1.00 43.25 N ATOM 1584 CA LYS B 128 7.959 -7.813 6.982 1.00 53.54 C ATOM 1585 C LYS B 128 7.926 -6.507 6.156 1.00 54.34 C ATOM 1586 O LYS B 128 8.724 -5.588 6.408 1.00 62.13 O ATOM 1587 CB LYS B 128 9.416 -8.341 7.118 1.00 52.54 C ATOM 1588 CG LYS B 128 9.569 -9.598 8.013 1.00 73.10 C ATOM 1589 CD LYS B 128 9.241 -9.330 9.499 1.00 30.30 C ATOM 1590 CE LYS B 128 9.437 -10.575 10.381 1.00 33.12 C ATOM 1591 NZ LYS B 128 10.825 -11.105 10.290 1.00 10.40 N ATOM 0 H LYS B 128 7.543 -9.334 5.588 1.00 43.25 H new ATOM 0 HA LYS B 128 7.572 -7.586 7.975 1.00 53.54 H new ATOM 0 HB2 LYS B 128 9.799 -8.571 6.124 1.00 52.54 H new ATOM 0 HB3 LYS B 128 10.040 -7.545 7.524 1.00 52.54 H new ATOM 0 HG2 LYS B 128 8.914 -10.385 7.639 1.00 73.10 H new ATOM 0 HG3 LYS B 128 10.590 -9.970 7.934 1.00 73.10 H new ATOM 0 HD2 LYS B 128 9.876 -8.524 9.868 1.00 30.30 H new ATOM 0 HD3 LYS B 128 8.210 -8.988 9.584 1.00 30.30 H new ATOM 0 HE2 LYS B 128 9.211 -10.325 11.418 1.00 33.12 H new ATOM 0 HE3 LYS B 128 8.732 -11.349 10.079 1.00 33.12 H new ATOM 0 HZ1 LYS B 128 10.983 -11.796 11.051 1.00 10.40 H new ATOM 0 HZ2 LYS B 128 10.960 -11.567 9.368 1.00 10.40 H new ATOM 0 HZ3 LYS B 128 11.503 -10.322 10.387 1.00 10.40 H new ATOM 1605 N VAL B 129 7.024 -6.433 5.149 1.00 45.22 N ATOM 1606 CA VAL B 129 6.725 -5.173 4.448 1.00 63.34 C ATOM 1607 C VAL B 129 5.873 -4.292 5.382 1.00 72.54 C ATOM 1608 O VAL B 129 4.746 -4.649 5.755 1.00 0.43 O ATOM 1609 CB VAL B 129 6.028 -5.382 3.036 1.00 41.25 C ATOM 1610 CG1 VAL B 129 6.977 -6.121 2.071 1.00 44.22 C ATOM 1611 CG2 VAL B 129 4.673 -6.120 3.141 1.00 43.24 C ATOM 0 H VAL B 129 6.493 -7.234 4.808 1.00 45.22 H new ATOM 0 HA VAL B 129 7.667 -4.676 4.217 1.00 63.34 H new ATOM 0 HB VAL B 129 5.814 -4.390 2.638 1.00 41.25 H new ATOM 0 HG11 VAL B 129 6.484 -6.256 1.108 1.00 44.22 H new ATOM 0 HG12 VAL B 129 7.886 -5.535 1.934 1.00 44.22 H new ATOM 0 HG13 VAL B 129 7.233 -7.095 2.487 1.00 44.22 H new ATOM 0 HG21 VAL B 129 4.243 -6.234 2.146 1.00 43.24 H new ATOM 0 HG22 VAL B 129 4.828 -7.103 3.585 1.00 43.24 H new ATOM 0 HG23 VAL B 129 3.992 -5.543 3.766 1.00 43.24 H new ATOM 1621 N GLU B 130 6.456 -3.177 5.834 1.00 1.50 N ATOM 1622 CA GLU B 130 5.809 -2.269 6.780 1.00 73.42 C ATOM 1623 C GLU B 130 5.125 -1.132 6.020 1.00 1.52 C ATOM 1624 O GLU B 130 5.790 -0.256 5.448 1.00 42.04 O ATOM 1625 CB GLU B 130 6.822 -1.709 7.807 1.00 53.34 C ATOM 1626 CG GLU B 130 6.199 -0.725 8.825 1.00 14.33 C ATOM 1627 CD GLU B 130 7.164 -0.296 9.931 1.00 22.44 C ATOM 1628 OE1 GLU B 130 8.200 0.308 9.613 1.00 52.13 O ATOM 1629 OE2 GLU B 130 6.886 -0.547 11.126 1.00 40.53 O ATOM 0 H GLU B 130 7.391 -2.881 5.553 1.00 1.50 H new ATOM 0 HA GLU B 130 5.057 -2.829 7.336 1.00 73.42 H new ATOM 0 HB2 GLU B 130 7.273 -2.540 8.349 1.00 53.34 H new ATOM 0 HB3 GLU B 130 7.626 -1.203 7.272 1.00 53.34 H new ATOM 0 HG2 GLU B 130 5.850 0.161 8.295 1.00 14.33 H new ATOM 0 HG3 GLU B 130 5.324 -1.190 9.278 1.00 14.33 H new ATOM 1636 N PHE B 131 3.795 -1.185 5.995 1.00 34.50 N ATOM 1637 CA PHE B 131 2.953 -0.108 5.498 1.00 62.24 C ATOM 1638 C PHE B 131 3.035 1.058 6.494 1.00 73.43 C ATOM 1639 O PHE B 131 2.489 0.972 7.603 1.00 55.12 O ATOM 1640 CB PHE B 131 1.500 -0.614 5.339 1.00 61.42 C ATOM 1641 CG PHE B 131 1.359 -1.799 4.374 1.00 74.11 C ATOM 1642 CD1 PHE B 131 1.604 -3.111 4.798 1.00 4.52 C ATOM 1643 CD2 PHE B 131 0.992 -1.599 3.044 1.00 52.43 C ATOM 1644 CE1 PHE B 131 1.487 -4.170 3.921 1.00 53.14 C ATOM 1645 CE2 PHE B 131 0.875 -2.659 2.173 1.00 24.14 C ATOM 1646 CZ PHE B 131 1.123 -3.942 2.609 1.00 43.43 C ATOM 0 H PHE B 131 3.267 -1.993 6.326 1.00 34.50 H new ATOM 0 HA PHE B 131 3.292 0.232 4.519 1.00 62.24 H new ATOM 0 HB2 PHE B 131 1.118 -0.906 6.317 1.00 61.42 H new ATOM 0 HB3 PHE B 131 0.876 0.207 4.985 1.00 61.42 H new ATOM 0 HD1 PHE B 131 1.888 -3.296 5.823 1.00 4.52 H new ATOM 0 HD2 PHE B 131 0.796 -0.597 2.691 1.00 52.43 H new ATOM 0 HE1 PHE B 131 1.680 -5.177 4.261 1.00 53.14 H new ATOM 0 HE2 PHE B 131 0.588 -2.484 1.146 1.00 24.14 H new ATOM 0 HZ PHE B 131 1.032 -4.771 1.923 1.00 43.43 H new ATOM 1656 N VAL B 132 3.780 2.100 6.103 1.00 54.34 N ATOM 1657 CA VAL B 132 4.009 3.307 6.925 1.00 51.55 C ATOM 1658 C VAL B 132 2.667 3.993 7.279 1.00 43.53 C ATOM 1659 O VAL B 132 2.516 4.600 8.349 1.00 21.33 O ATOM 1660 CB VAL B 132 4.956 4.311 6.171 1.00 72.41 C ATOM 1661 CG1 VAL B 132 5.242 5.593 6.988 1.00 42.10 C ATOM 1662 CG2 VAL B 132 6.265 3.622 5.733 1.00 20.34 C ATOM 0 H VAL B 132 4.248 2.134 5.198 1.00 54.34 H new ATOM 0 HA VAL B 132 4.492 3.002 7.853 1.00 51.55 H new ATOM 0 HB VAL B 132 4.422 4.628 5.275 1.00 72.41 H new ATOM 0 HG11 VAL B 132 5.901 6.248 6.418 1.00 42.10 H new ATOM 0 HG12 VAL B 132 4.305 6.110 7.194 1.00 42.10 H new ATOM 0 HG13 VAL B 132 5.723 5.325 7.929 1.00 42.10 H new ATOM 0 HG21 VAL B 132 6.899 4.341 5.214 1.00 20.34 H new ATOM 0 HG22 VAL B 132 6.788 3.244 6.611 1.00 20.34 H new ATOM 0 HG23 VAL B 132 6.034 2.793 5.064 1.00 20.34 H new ATOM 1672 N GLY B 133 1.704 3.877 6.354 1.00 43.12 N ATOM 1673 CA GLY B 133 0.338 4.331 6.562 1.00 14.10 C ATOM 1674 C GLY B 133 -0.130 5.204 5.418 1.00 25.01 C ATOM 1675 O GLY B 133 0.141 4.906 4.244 1.00 61.33 O ATOM 0 H GLY B 133 1.861 3.461 5.436 1.00 43.12 H new ATOM 0 HA2 GLY B 133 -0.323 3.470 6.659 1.00 14.10 H new ATOM 0 HA3 GLY B 133 0.276 4.888 7.497 1.00 14.10 H new ATOM 1679 N ALA B 134 -0.827 6.282 5.762 1.00 1.20 N ATOM 1680 CA ALA B 134 -1.278 7.303 4.816 1.00 2.11 C ATOM 1681 C ALA B 134 -1.508 8.610 5.579 1.00 15.33 C ATOM 1682 O ALA B 134 -1.668 8.606 6.809 1.00 32.23 O ATOM 1683 CB ALA B 134 -2.559 6.854 4.106 1.00 2.04 C ATOM 0 H ALA B 134 -1.101 6.477 6.725 1.00 1.20 H new ATOM 0 HA ALA B 134 -0.517 7.457 4.051 1.00 2.11 H new ATOM 0 HB1 ALA B 134 -2.878 7.627 3.407 1.00 2.04 H new ATOM 0 HB2 ALA B 134 -2.368 5.929 3.562 1.00 2.04 H new ATOM 0 HB3 ALA B 134 -3.344 6.686 4.843 1.00 2.04 H new ATOM 1689 N TYR B 135 -1.521 9.722 4.844 1.00 21.22 N ATOM 1690 CA TYR B 135 -1.571 11.080 5.414 1.00 31.10 C ATOM 1691 C TYR B 135 -2.610 11.933 4.650 1.00 44.14 C ATOM 1692 O TYR B 135 -3.011 11.554 3.565 1.00 43.33 O ATOM 1693 CB TYR B 135 -0.147 11.697 5.339 1.00 14.42 C ATOM 1694 CG TYR B 135 0.850 11.106 6.361 1.00 43.41 C ATOM 1695 CD1 TYR B 135 1.627 9.980 6.062 1.00 72.21 C ATOM 1696 CD2 TYR B 135 0.996 11.669 7.635 1.00 62.11 C ATOM 1697 CE1 TYR B 135 2.502 9.450 6.988 1.00 34.22 C ATOM 1698 CE2 TYR B 135 1.874 11.137 8.559 1.00 71.23 C ATOM 1699 CZ TYR B 135 2.623 10.031 8.230 1.00 21.55 C ATOM 1700 OH TYR B 135 3.497 9.499 9.150 1.00 35.21 O ATOM 0 H TYR B 135 -1.497 9.711 3.824 1.00 21.22 H new ATOM 0 HA TYR B 135 -1.884 11.049 6.458 1.00 31.10 H new ATOM 0 HB2 TYR B 135 0.249 11.550 4.334 1.00 14.42 H new ATOM 0 HB3 TYR B 135 -0.220 12.773 5.498 1.00 14.42 H new ATOM 0 HD1 TYR B 135 1.540 9.518 5.090 1.00 72.21 H new ATOM 0 HD2 TYR B 135 0.410 12.537 7.900 1.00 62.11 H new ATOM 0 HE1 TYR B 135 3.091 8.580 6.739 1.00 34.22 H new ATOM 0 HE2 TYR B 135 1.972 11.587 9.536 1.00 71.23 H new ATOM 0 HH TYR B 135 3.464 10.026 9.975 1.00 35.21 H new ATOM 1710 N PRO B 136 -3.094 13.090 5.209 1.00 41.21 N ATOM 1711 CA PRO B 136 -4.072 13.969 4.500 1.00 13.53 C ATOM 1712 C PRO B 136 -3.433 14.916 3.444 1.00 2.34 C ATOM 1713 O PRO B 136 -4.110 15.824 2.946 1.00 3.54 O ATOM 1714 CB PRO B 136 -4.712 14.757 5.671 1.00 23.42 C ATOM 1715 CG PRO B 136 -3.626 14.862 6.701 1.00 23.42 C ATOM 1716 CD PRO B 136 -2.787 13.604 6.580 1.00 11.14 C ATOM 0 HA PRO B 136 -4.780 13.395 3.902 1.00 13.53 H new ATOM 0 HB2 PRO B 136 -5.047 15.743 5.348 1.00 23.42 H new ATOM 0 HB3 PRO B 136 -5.584 14.237 6.067 1.00 23.42 H new ATOM 0 HG2 PRO B 136 -3.018 15.751 6.533 1.00 23.42 H new ATOM 0 HG3 PRO B 136 -4.049 14.950 7.702 1.00 23.42 H new ATOM 0 HD2 PRO B 136 -1.725 13.821 6.696 1.00 11.14 H new ATOM 0 HD3 PRO B 136 -3.049 12.875 7.347 1.00 11.14 H new ATOM 1724 N SER B 137 -2.154 14.675 3.082 1.00 53.11 N ATOM 1725 CA SER B 137 -1.392 15.545 2.154 1.00 54.00 C ATOM 1726 C SER B 137 -0.185 14.800 1.578 1.00 52.22 C ATOM 1727 O SER B 137 0.386 13.922 2.248 1.00 43.41 O ATOM 1728 CB SER B 137 -0.920 16.832 2.881 1.00 62.31 C ATOM 1729 OG SER B 137 -0.003 17.593 2.101 1.00 43.44 O ATOM 0 H SER B 137 -1.621 13.875 3.423 1.00 53.11 H new ATOM 0 HA SER B 137 -2.053 15.824 1.334 1.00 54.00 H new ATOM 0 HB2 SER B 137 -1.786 17.448 3.121 1.00 62.31 H new ATOM 0 HB3 SER B 137 -0.450 16.560 3.826 1.00 62.31 H new ATOM 0 HG SER B 137 0.264 18.394 2.599 1.00 43.44 H new ATOM 1735 N TYR B 138 0.204 15.185 0.335 1.00 1.44 N ATOM 1736 CA TYR B 138 1.377 14.626 -0.357 1.00 45.30 C ATOM 1737 C TYR B 138 2.651 14.859 0.461 1.00 63.24 C ATOM 1738 O TYR B 138 3.387 13.919 0.712 1.00 72.41 O ATOM 1739 CB TYR B 138 1.562 15.237 -1.781 1.00 63.21 C ATOM 1740 CG TYR B 138 2.859 14.776 -2.495 1.00 31.04 C ATOM 1741 CD1 TYR B 138 2.981 13.476 -2.995 1.00 42.43 C ATOM 1742 CD2 TYR B 138 3.969 15.628 -2.632 1.00 14.54 C ATOM 1743 CE1 TYR B 138 4.151 13.042 -3.595 1.00 63.54 C ATOM 1744 CE2 TYR B 138 5.136 15.197 -3.239 1.00 73.42 C ATOM 1745 CZ TYR B 138 5.223 13.904 -3.715 1.00 52.03 C ATOM 1746 OH TYR B 138 6.390 13.468 -4.296 1.00 72.31 O ATOM 0 H TYR B 138 -0.292 15.892 -0.209 1.00 1.44 H new ATOM 0 HA TYR B 138 1.199 13.556 -0.463 1.00 45.30 H new ATOM 0 HB2 TYR B 138 0.704 14.967 -2.396 1.00 63.21 H new ATOM 0 HB3 TYR B 138 1.568 16.324 -1.702 1.00 63.21 H new ATOM 0 HD1 TYR B 138 2.146 12.797 -2.912 1.00 42.43 H new ATOM 0 HD2 TYR B 138 3.910 16.639 -2.256 1.00 14.54 H new ATOM 0 HE1 TYR B 138 4.225 12.031 -3.968 1.00 63.54 H new ATOM 0 HE2 TYR B 138 5.975 15.869 -3.340 1.00 73.42 H new ATOM 0 HH TYR B 138 7.044 14.198 -4.304 1.00 72.31 H new ATOM 1756 N ASP B 139 2.868 16.128 0.872 1.00 23.34 N ATOM 1757 CA ASP B 139 4.100 16.563 1.574 1.00 72.45 C ATOM 1758 C ASP B 139 4.335 15.765 2.873 1.00 31.22 C ATOM 1759 O ASP B 139 5.476 15.459 3.216 1.00 71.12 O ATOM 1760 CB ASP B 139 4.044 18.085 1.881 1.00 34.44 C ATOM 1761 CG ASP B 139 5.258 18.594 2.697 1.00 53.55 C ATOM 1762 OD1 ASP B 139 6.387 18.617 2.156 1.00 54.40 O ATOM 1763 OD2 ASP B 139 5.102 18.940 3.886 1.00 21.21 O ATOM 0 H ASP B 139 2.195 16.881 0.727 1.00 23.34 H new ATOM 0 HA ASP B 139 4.940 16.364 0.908 1.00 72.45 H new ATOM 0 HB2 ASP B 139 3.991 18.636 0.942 1.00 34.44 H new ATOM 0 HB3 ASP B 139 3.129 18.304 2.431 1.00 34.44 H new ATOM 1768 N GLU B 140 3.232 15.420 3.550 1.00 54.10 N ATOM 1769 CA GLU B 140 3.253 14.646 4.803 1.00 31.33 C ATOM 1770 C GLU B 140 3.821 13.231 4.576 1.00 4.42 C ATOM 1771 O GLU B 140 4.687 12.768 5.331 1.00 40.34 O ATOM 1772 CB GLU B 140 1.821 14.555 5.369 1.00 72.33 C ATOM 1773 CG GLU B 140 1.188 15.889 5.785 1.00 14.42 C ATOM 1774 CD GLU B 140 1.823 16.486 7.049 1.00 61.41 C ATOM 1775 OE1 GLU B 140 1.399 16.111 8.162 1.00 71.55 O ATOM 1776 OE2 GLU B 140 2.746 17.318 6.945 1.00 41.13 O ATOM 0 H GLU B 140 2.292 15.671 3.243 1.00 54.10 H new ATOM 0 HA GLU B 140 3.901 15.156 5.516 1.00 31.33 H new ATOM 0 HB2 GLU B 140 1.182 14.088 4.620 1.00 72.33 H new ATOM 0 HB3 GLU B 140 1.833 13.893 6.235 1.00 72.33 H new ATOM 0 HG2 GLU B 140 1.284 16.601 4.966 1.00 14.42 H new ATOM 0 HG3 GLU B 140 0.122 15.741 5.956 1.00 14.42 H new ATOM 1783 N ALA B 141 3.335 12.567 3.512 1.00 13.51 N ATOM 1784 CA ALA B 141 3.716 11.187 3.177 1.00 63.52 C ATOM 1785 C ALA B 141 5.115 11.144 2.545 1.00 14.13 C ATOM 1786 O ALA B 141 5.946 10.284 2.861 1.00 72.44 O ATOM 1787 CB ALA B 141 2.672 10.617 2.226 1.00 61.35 C ATOM 0 H ALA B 141 2.665 12.975 2.860 1.00 13.51 H new ATOM 0 HA ALA B 141 3.754 10.585 4.085 1.00 63.52 H new ATOM 0 HB1 ALA B 141 2.938 9.592 1.966 1.00 61.35 H new ATOM 0 HB2 ALA B 141 1.695 10.627 2.710 1.00 61.35 H new ATOM 0 HB3 ALA B 141 2.635 11.223 1.321 1.00 61.35 H new ATOM 1793 N HIS B 142 5.352 12.121 1.670 1.00 44.24 N ATOM 1794 CA HIS B 142 6.637 12.362 1.011 1.00 30.01 C ATOM 1795 C HIS B 142 7.748 12.537 2.057 1.00 15.03 C ATOM 1796 O HIS B 142 8.849 12.036 1.882 1.00 43.11 O ATOM 1797 CB HIS B 142 6.499 13.620 0.108 1.00 53.14 C ATOM 1798 CG HIS B 142 7.756 14.142 -0.528 1.00 64.40 C ATOM 1799 ND1 HIS B 142 7.927 15.473 -0.834 1.00 4.32 N ATOM 1800 CD2 HIS B 142 8.897 13.528 -0.910 1.00 55.12 C ATOM 1801 CE1 HIS B 142 9.112 15.651 -1.372 1.00 10.33 C ATOM 1802 NE2 HIS B 142 9.720 14.491 -1.425 1.00 53.24 N ATOM 0 H HIS B 142 4.633 12.788 1.391 1.00 44.24 H new ATOM 0 HA HIS B 142 6.911 11.508 0.391 1.00 30.01 H new ATOM 0 HB2 HIS B 142 5.787 13.392 -0.685 1.00 53.14 H new ATOM 0 HB3 HIS B 142 6.064 14.421 0.706 1.00 53.14 H new ATOM 0 HD1 HIS B 142 7.239 16.208 -0.668 1.00 4.32 H new ATOM 0 HD2 HIS B 142 9.118 12.474 -0.825 1.00 55.12 H new ATOM 0 HE1 HIS B 142 9.516 16.593 -1.713 1.00 10.33 H new ATOM 1811 N LYS B 143 7.426 13.226 3.153 1.00 71.11 N ATOM 1812 CA LYS B 143 8.378 13.473 4.247 1.00 61.03 C ATOM 1813 C LYS B 143 8.537 12.216 5.119 1.00 73.23 C ATOM 1814 O LYS B 143 9.619 11.959 5.658 1.00 61.32 O ATOM 1815 CB LYS B 143 7.883 14.661 5.104 1.00 55.33 C ATOM 1816 CG LYS B 143 8.996 15.468 5.799 1.00 62.44 C ATOM 1817 CD LYS B 143 9.911 16.215 4.791 1.00 75.21 C ATOM 1818 CE LYS B 143 9.129 17.134 3.818 1.00 52.35 C ATOM 1819 NZ LYS B 143 8.226 18.091 4.522 1.00 73.55 N ATOM 0 H LYS B 143 6.502 13.629 3.311 1.00 71.11 H new ATOM 0 HA LYS B 143 9.351 13.717 3.822 1.00 61.03 H new ATOM 0 HB2 LYS B 143 7.309 15.335 4.468 1.00 55.33 H new ATOM 0 HB3 LYS B 143 7.200 14.282 5.864 1.00 55.33 H new ATOM 0 HG2 LYS B 143 8.545 16.191 6.479 1.00 62.44 H new ATOM 0 HG3 LYS B 143 9.603 14.795 6.405 1.00 62.44 H new ATOM 0 HD2 LYS B 143 10.635 16.814 5.343 1.00 75.21 H new ATOM 0 HD3 LYS B 143 10.477 15.484 4.214 1.00 75.21 H new ATOM 0 HE2 LYS B 143 9.837 17.693 3.207 1.00 52.35 H new ATOM 0 HE3 LYS B 143 8.539 16.518 3.139 1.00 52.35 H new ATOM 0 HZ1 LYS B 143 7.680 18.632 3.822 1.00 73.55 H new ATOM 0 HZ2 LYS B 143 7.574 17.564 5.138 1.00 73.55 H new ATOM 0 HZ3 LYS B 143 8.794 18.745 5.098 1.00 73.55 H new ATOM 1833 N ALA B 144 7.434 11.443 5.235 1.00 43.33 N ATOM 1834 CA ALA B 144 7.378 10.210 6.044 1.00 33.05 C ATOM 1835 C ALA B 144 8.312 9.124 5.483 1.00 63.05 C ATOM 1836 O ALA B 144 8.811 8.293 6.236 1.00 62.51 O ATOM 1837 CB ALA B 144 5.943 9.682 6.130 1.00 4.41 C ATOM 0 H ALA B 144 6.554 11.660 4.767 1.00 43.33 H new ATOM 0 HA ALA B 144 7.720 10.462 7.048 1.00 33.05 H new ATOM 0 HB1 ALA B 144 5.925 8.773 6.731 1.00 4.41 H new ATOM 0 HB2 ALA B 144 5.305 10.435 6.593 1.00 4.41 H new ATOM 0 HB3 ALA B 144 5.576 9.462 5.128 1.00 4.41 H new ATOM 1843 N TRP B 145 8.518 9.153 4.150 1.00 43.12 N ATOM 1844 CA TRP B 145 9.510 8.310 3.437 1.00 34.12 C ATOM 1845 C TRP B 145 10.906 8.396 4.123 1.00 13.50 C ATOM 1846 O TRP B 145 11.513 7.370 4.463 1.00 61.30 O ATOM 1847 CB TRP B 145 9.545 8.747 1.910 1.00 5.44 C ATOM 1848 CG TRP B 145 10.921 8.736 1.246 1.00 64.10 C ATOM 1849 CD1 TRP B 145 11.589 7.666 0.718 1.00 45.33 C ATOM 1850 CD2 TRP B 145 11.804 9.867 1.084 1.00 65.24 C ATOM 1851 NE1 TRP B 145 12.825 8.059 0.265 1.00 0.11 N ATOM 1852 CE2 TRP B 145 12.980 9.398 0.475 1.00 24.25 C ATOM 1853 CE3 TRP B 145 11.709 11.230 1.394 1.00 74.22 C ATOM 1854 CZ2 TRP B 145 14.056 10.239 0.189 1.00 24.11 C ATOM 1855 CZ3 TRP B 145 12.768 12.061 1.106 1.00 40.40 C ATOM 1856 CH2 TRP B 145 13.926 11.566 0.517 1.00 4.31 C ATOM 0 H TRP B 145 7.995 9.769 3.527 1.00 43.12 H new ATOM 0 HA TRP B 145 9.218 7.261 3.484 1.00 34.12 H new ATOM 0 HB2 TRP B 145 8.886 8.086 1.347 1.00 5.44 H new ATOM 0 HB3 TRP B 145 9.132 9.753 1.830 1.00 5.44 H new ATOM 0 HD1 TRP B 145 11.202 6.659 0.665 1.00 45.33 H new ATOM 0 HE1 TRP B 145 13.519 7.445 -0.162 1.00 0.11 H new ATOM 0 HE3 TRP B 145 10.815 11.624 1.854 1.00 74.22 H new ATOM 0 HZ2 TRP B 145 14.956 9.861 -0.272 1.00 24.11 H new ATOM 0 HZ3 TRP B 145 12.698 13.113 1.341 1.00 40.40 H new ATOM 0 HH2 TRP B 145 14.743 12.242 0.312 1.00 4.31 H new ATOM 1867 N LYS B 146 11.373 9.636 4.347 1.00 21.34 N ATOM 1868 CA LYS B 146 12.702 9.921 4.940 1.00 63.24 C ATOM 1869 C LYS B 146 12.659 9.854 6.469 1.00 34.21 C ATOM 1870 O LYS B 146 13.664 9.530 7.092 1.00 32.13 O ATOM 1871 CB LYS B 146 13.189 11.303 4.448 1.00 62.41 C ATOM 1872 CG LYS B 146 14.484 11.858 5.073 1.00 31.54 C ATOM 1873 CD LYS B 146 14.841 13.254 4.503 1.00 22.42 C ATOM 1874 CE LYS B 146 16.139 13.824 5.089 1.00 5.50 C ATOM 1875 NZ LYS B 146 16.462 15.152 4.505 1.00 22.44 N ATOM 0 H LYS B 146 10.841 10.477 4.123 1.00 21.34 H new ATOM 0 HA LYS B 146 13.409 9.158 4.615 1.00 63.24 H new ATOM 0 HB2 LYS B 146 13.332 11.246 3.369 1.00 62.41 H new ATOM 0 HB3 LYS B 146 12.392 12.025 4.626 1.00 62.41 H new ATOM 0 HG2 LYS B 146 14.367 11.925 6.155 1.00 31.54 H new ATOM 0 HG3 LYS B 146 15.305 11.167 4.884 1.00 31.54 H new ATOM 0 HD2 LYS B 146 14.937 13.185 3.419 1.00 22.42 H new ATOM 0 HD3 LYS B 146 14.022 13.944 4.707 1.00 22.42 H new ATOM 0 HE2 LYS B 146 16.042 13.915 6.171 1.00 5.50 H new ATOM 0 HE3 LYS B 146 16.960 13.132 4.899 1.00 5.50 H new ATOM 0 HZ1 LYS B 146 17.345 15.509 4.922 1.00 22.44 H new ATOM 0 HZ2 LYS B 146 16.578 15.060 3.476 1.00 22.44 H new ATOM 0 HZ3 LYS B 146 15.689 15.818 4.708 1.00 22.44 H new ATOM 1889 N ALA B 147 11.487 10.146 7.058 1.00 42.22 N ATOM 1890 CA ALA B 147 11.268 10.019 8.518 1.00 24.44 C ATOM 1891 C ALA B 147 11.537 8.573 8.966 1.00 24.01 C ATOM 1892 O ALA B 147 12.170 8.327 9.996 1.00 45.21 O ATOM 1893 CB ALA B 147 9.836 10.445 8.884 1.00 41.34 C ATOM 0 H ALA B 147 10.669 10.474 6.545 1.00 42.22 H new ATOM 0 HA ALA B 147 11.962 10.679 9.039 1.00 24.44 H new ATOM 0 HB1 ALA B 147 9.691 10.346 9.960 1.00 41.34 H new ATOM 0 HB2 ALA B 147 9.679 11.483 8.591 1.00 41.34 H new ATOM 0 HB3 ALA B 147 9.122 9.808 8.361 1.00 41.34 H new ATOM 1899 N LYS B 148 11.092 7.640 8.117 1.00 42.40 N ATOM 1900 CA LYS B 148 11.268 6.199 8.311 1.00 20.31 C ATOM 1901 C LYS B 148 12.699 5.773 7.969 1.00 63.22 C ATOM 1902 O LYS B 148 13.301 5.001 8.707 1.00 53.42 O ATOM 1903 CB LYS B 148 10.238 5.453 7.429 1.00 11.03 C ATOM 1904 CG LYS B 148 8.774 5.665 7.863 1.00 15.34 C ATOM 1905 CD LYS B 148 8.458 5.096 9.261 1.00 33.23 C ATOM 1906 CE LYS B 148 8.635 3.577 9.315 1.00 32.20 C ATOM 1907 NZ LYS B 148 8.307 3.020 10.653 1.00 71.55 N ATOM 0 H LYS B 148 10.590 7.871 7.260 1.00 42.40 H new ATOM 0 HA LYS B 148 11.100 5.946 9.358 1.00 20.31 H new ATOM 0 HB2 LYS B 148 10.352 5.783 6.396 1.00 11.03 H new ATOM 0 HB3 LYS B 148 10.462 4.386 7.449 1.00 11.03 H new ATOM 0 HG2 LYS B 148 8.552 6.732 7.855 1.00 15.34 H new ATOM 0 HG3 LYS B 148 8.115 5.197 7.132 1.00 15.34 H new ATOM 0 HD2 LYS B 148 9.110 5.563 9.999 1.00 33.23 H new ATOM 0 HD3 LYS B 148 7.434 5.352 9.534 1.00 33.23 H new ATOM 0 HE2 LYS B 148 7.997 3.112 8.564 1.00 32.20 H new ATOM 0 HE3 LYS B 148 9.664 3.324 9.060 1.00 32.20 H new ATOM 0 HZ1 LYS B 148 8.226 1.985 10.588 1.00 71.55 H new ATOM 0 HZ2 LYS B 148 9.061 3.267 11.326 1.00 71.55 H new ATOM 0 HZ3 LYS B 148 7.404 3.418 10.983 1.00 71.55 H new ATOM 1921 N ALA B 149 13.233 6.310 6.855 1.00 71.01 N ATOM 1922 CA ALA B 149 14.603 6.008 6.381 1.00 61.40 C ATOM 1923 C ALA B 149 15.674 6.385 7.440 1.00 33.23 C ATOM 1924 O ALA B 149 16.652 5.654 7.639 1.00 42.24 O ATOM 1925 CB ALA B 149 14.869 6.726 5.046 1.00 34.35 C ATOM 0 H ALA B 149 12.730 6.965 6.257 1.00 71.01 H new ATOM 0 HA ALA B 149 14.677 4.932 6.222 1.00 61.40 H new ATOM 0 HB1 ALA B 149 15.879 6.498 4.705 1.00 34.35 H new ATOM 0 HB2 ALA B 149 14.149 6.387 4.301 1.00 34.35 H new ATOM 0 HB3 ALA B 149 14.767 7.802 5.185 1.00 34.35 H new ATOM 1931 N GLN B 150 15.447 7.519 8.128 1.00 20.15 N ATOM 1932 CA GLN B 150 16.324 8.017 9.214 1.00 1.34 C ATOM 1933 C GLN B 150 16.130 7.186 10.497 1.00 2.10 C ATOM 1934 O GLN B 150 17.074 6.994 11.268 1.00 43.34 O ATOM 1935 CB GLN B 150 16.000 9.511 9.508 1.00 5.02 C ATOM 1936 CG GLN B 150 16.353 10.503 8.378 1.00 72.03 C ATOM 1937 CD GLN B 150 15.794 11.924 8.597 1.00 62.24 C ATOM 1938 OE1 GLN B 150 16.405 12.912 8.191 1.00 31.34 O ATOM 1939 NE2 GLN B 150 14.614 12.040 9.200 1.00 31.24 N ATOM 0 H GLN B 150 14.645 8.123 7.948 1.00 20.15 H new ATOM 0 HA GLN B 150 17.361 7.923 8.891 1.00 1.34 H new ATOM 0 HB2 GLN B 150 14.935 9.598 9.724 1.00 5.02 H new ATOM 0 HB3 GLN B 150 16.534 9.810 10.410 1.00 5.02 H new ATOM 0 HG2 GLN B 150 17.437 10.560 8.284 1.00 72.03 H new ATOM 0 HG3 GLN B 150 15.971 10.114 7.434 1.00 72.03 H new ATOM 0 HE21 GLN B 150 14.125 11.207 9.529 1.00 31.24 H new ATOM 0 HE22 GLN B 150 14.198 12.962 9.334 1.00 31.24 H new ATOM 1948 N ALA B 151 14.891 6.710 10.706 1.00 21.04 N ATOM 1949 CA ALA B 151 14.511 5.942 11.911 1.00 41.24 C ATOM 1950 C ALA B 151 15.075 4.511 11.872 1.00 52.35 C ATOM 1951 O ALA B 151 15.345 3.917 12.918 1.00 12.21 O ATOM 1952 CB ALA B 151 12.979 5.912 12.052 1.00 54.52 C ATOM 0 H ALA B 151 14.124 6.845 10.048 1.00 21.04 H new ATOM 0 HA ALA B 151 14.942 6.441 12.779 1.00 41.24 H new ATOM 0 HB1 ALA B 151 12.707 5.345 12.942 1.00 54.52 H new ATOM 0 HB2 ALA B 151 12.602 6.931 12.142 1.00 54.52 H new ATOM 0 HB3 ALA B 151 12.542 5.439 11.172 1.00 54.52 H new ATOM 1958 N THR B 152 15.261 3.976 10.652 1.00 61.30 N ATOM 1959 CA THR B 152 15.636 2.570 10.431 1.00 43.53 C ATOM 1960 C THR B 152 17.144 2.414 10.159 1.00 33.10 C ATOM 1961 O THR B 152 17.566 2.019 9.061 1.00 42.51 O ATOM 1962 CB THR B 152 14.774 1.957 9.279 1.00 2.22 C ATOM 1963 OG1 THR B 152 14.902 2.728 8.067 1.00 24.31 O ATOM 1964 CG2 THR B 152 13.294 1.893 9.679 1.00 3.45 C ATOM 0 H THR B 152 15.155 4.510 9.789 1.00 61.30 H new ATOM 0 HA THR B 152 15.428 2.016 11.346 1.00 43.53 H new ATOM 0 HB THR B 152 15.144 0.948 9.100 1.00 2.22 H new ATOM 0 HG1 THR B 152 14.374 3.550 8.145 1.00 24.31 H new ATOM 0 HG21 THR B 152 12.715 1.463 8.862 1.00 3.45 H new ATOM 0 HG22 THR B 152 13.184 1.272 10.568 1.00 3.45 H new ATOM 0 HG23 THR B 152 12.931 2.898 9.892 1.00 3.45 H new ATOM 1972 N VAL B 153 17.946 2.738 11.183 1.00 72.13 N ATOM 1973 CA VAL B 153 19.418 2.622 11.135 1.00 42.11 C ATOM 1974 C VAL B 153 19.841 1.164 11.413 1.00 61.10 C ATOM 1975 O VAL B 153 20.708 0.607 10.725 1.00 24.41 O ATOM 1976 CB VAL B 153 20.093 3.589 12.180 1.00 55.13 C ATOM 1977 CG1 VAL B 153 21.635 3.489 12.133 1.00 44.13 C ATOM 1978 CG2 VAL B 153 19.616 5.048 11.970 1.00 0.11 C ATOM 0 H VAL B 153 17.594 3.090 12.074 1.00 72.13 H new ATOM 0 HA VAL B 153 19.753 2.909 10.138 1.00 42.11 H new ATOM 0 HB VAL B 153 19.780 3.273 13.175 1.00 55.13 H new ATOM 0 HG11 VAL B 153 22.066 4.170 12.867 1.00 44.13 H new ATOM 0 HG12 VAL B 153 21.941 2.468 12.362 1.00 44.13 H new ATOM 0 HG13 VAL B 153 21.987 3.759 11.137 1.00 44.13 H new ATOM 0 HG21 VAL B 153 20.096 5.697 12.703 1.00 0.11 H new ATOM 0 HG22 VAL B 153 19.882 5.377 10.965 1.00 0.11 H new ATOM 0 HG23 VAL B 153 18.534 5.098 12.094 1.00 0.11 H new ATOM 1988 N ASP B 154 19.192 0.570 12.434 1.00 4.31 N ATOM 1989 CA ASP B 154 19.431 -0.821 12.884 1.00 73.05 C ATOM 1990 C ASP B 154 19.092 -1.834 11.777 1.00 11.40 C ATOM 1991 O ASP B 154 19.809 -2.825 11.592 1.00 31.11 O ATOM 1992 CB ASP B 154 18.562 -1.107 14.141 1.00 52.43 C ATOM 1993 CG ASP B 154 18.618 -2.568 14.627 1.00 61.21 C ATOM 1994 OD1 ASP B 154 19.535 -2.921 15.397 1.00 41.54 O ATOM 1995 OD2 ASP B 154 17.729 -3.372 14.253 1.00 43.05 O ATOM 0 H ASP B 154 18.475 1.049 12.980 1.00 4.31 H new ATOM 0 HA ASP B 154 20.488 -0.930 13.125 1.00 73.05 H new ATOM 0 HB2 ASP B 154 18.888 -0.454 14.950 1.00 52.43 H new ATOM 0 HB3 ASP B 154 17.526 -0.849 13.920 1.00 52.43 H new ATOM 2000 N ASN B 155 17.985 -1.560 11.065 1.00 61.24 N ATOM 2001 CA ASN B 155 17.441 -2.429 10.005 1.00 51.43 C ATOM 2002 C ASN B 155 18.473 -2.716 8.898 1.00 61.34 C ATOM 2003 O ASN B 155 19.239 -1.827 8.504 1.00 53.01 O ATOM 2004 CB ASN B 155 16.191 -1.771 9.395 1.00 1.10 C ATOM 2005 CG ASN B 155 15.017 -1.692 10.367 1.00 24.23 C ATOM 2006 OD1 ASN B 155 14.960 -0.806 11.219 1.00 51.52 O ATOM 2007 ND2 ASN B 155 14.063 -2.598 10.234 1.00 41.13 N ATOM 0 H ASN B 155 17.434 -0.715 11.212 1.00 61.24 H new ATOM 0 HA ASN B 155 17.181 -3.384 10.461 1.00 51.43 H new ATOM 0 HB2 ASN B 155 16.445 -0.765 9.060 1.00 1.10 H new ATOM 0 HB3 ASN B 155 15.886 -2.334 8.513 1.00 1.10 H new ATOM 0 HD21 ASN B 155 13.249 -2.575 10.848 1.00 41.13 H new ATOM 0 HD22 ASN B 155 14.141 -3.319 9.517 1.00 41.13 H new ATOM 2014 N ALA B 156 18.453 -3.969 8.405 1.00 32.30 N ATOM 2015 CA ALA B 156 19.404 -4.481 7.407 1.00 50.01 C ATOM 2016 C ALA B 156 19.241 -3.769 6.051 1.00 1.44 C ATOM 2017 O ALA B 156 20.215 -3.243 5.496 1.00 70.34 O ATOM 2018 CB ALA B 156 19.233 -6.010 7.261 1.00 15.20 C ATOM 0 H ALA B 156 17.764 -4.663 8.695 1.00 32.30 H new ATOM 0 HA ALA B 156 20.416 -4.271 7.754 1.00 50.01 H new ATOM 0 HB1 ALA B 156 19.939 -6.386 6.521 1.00 15.20 H new ATOM 0 HB2 ALA B 156 19.423 -6.491 8.221 1.00 15.20 H new ATOM 0 HB3 ALA B 156 18.216 -6.233 6.938 1.00 15.20 H new ATOM 2024 N HIS B 157 17.999 -3.755 5.527 1.00 3.32 N ATOM 2025 CA HIS B 157 17.696 -3.201 4.183 1.00 74.43 C ATOM 2026 C HIS B 157 16.310 -2.525 4.140 1.00 31.11 C ATOM 2027 O HIS B 157 15.655 -2.544 3.084 1.00 54.12 O ATOM 2028 CB HIS B 157 17.769 -4.334 3.119 1.00 40.24 C ATOM 2029 CG HIS B 157 19.157 -4.835 2.810 1.00 33.44 C ATOM 2030 ND1 HIS B 157 19.613 -6.088 3.173 1.00 4.31 N ATOM 2031 CD2 HIS B 157 20.187 -4.244 2.154 1.00 3.41 C ATOM 2032 CE1 HIS B 157 20.861 -6.234 2.766 1.00 12.54 C ATOM 2033 NE2 HIS B 157 21.224 -5.135 2.137 1.00 51.24 N ATOM 0 H HIS B 157 17.182 -4.123 6.014 1.00 3.32 H new ATOM 0 HA HIS B 157 18.441 -2.438 3.960 1.00 74.43 H new ATOM 0 HB2 HIS B 157 17.165 -5.174 3.463 1.00 40.24 H new ATOM 0 HB3 HIS B 157 17.316 -3.973 2.196 1.00 40.24 H new ATOM 0 HD2 HIS B 157 20.188 -3.253 1.725 1.00 3.41 H new ATOM 0 HE1 HIS B 157 21.479 -7.106 2.922 1.00 12.54 H new ATOM 0 HE2 HIS B 157 22.134 -4.974 1.706 1.00 51.24 H new ATOM 2042 N ALA B 158 15.862 -1.926 5.267 1.00 5.34 N ATOM 2043 CA ALA B 158 14.588 -1.173 5.300 1.00 72.21 C ATOM 2044 C ALA B 158 14.602 -0.002 4.296 1.00 13.31 C ATOM 2045 O ALA B 158 15.296 1.005 4.493 1.00 73.33 O ATOM 2046 CB ALA B 158 14.252 -0.689 6.707 1.00 35.14 C ATOM 0 H ALA B 158 16.359 -1.949 6.158 1.00 5.34 H new ATOM 0 HA ALA B 158 13.800 -1.862 4.997 1.00 72.21 H new ATOM 0 HB1 ALA B 158 13.310 -0.141 6.688 1.00 35.14 H new ATOM 0 HB2 ALA B 158 14.160 -1.546 7.374 1.00 35.14 H new ATOM 0 HB3 ALA B 158 15.046 -0.034 7.066 1.00 35.14 H new ATOM 2052 N ARG B 159 13.859 -0.191 3.198 1.00 32.54 N ATOM 2053 CA ARG B 159 13.763 0.753 2.086 1.00 74.45 C ATOM 2054 C ARG B 159 12.288 1.133 1.919 1.00 55.30 C ATOM 2055 O ARG B 159 11.484 0.350 1.398 1.00 3.43 O ATOM 2056 CB ARG B 159 14.364 0.118 0.780 1.00 31.13 C ATOM 2057 CG ARG B 159 15.561 0.891 0.179 1.00 35.42 C ATOM 2058 CD ARG B 159 16.750 0.998 1.153 1.00 24.02 C ATOM 2059 NE ARG B 159 17.797 1.894 0.637 1.00 61.45 N ATOM 2060 CZ ARG B 159 18.599 2.670 1.383 1.00 23.01 C ATOM 2061 NH1 ARG B 159 18.511 2.662 2.714 1.00 1.51 N ATOM 2062 NH2 ARG B 159 19.483 3.454 0.782 1.00 14.31 N ATOM 0 H ARG B 159 13.294 -1.029 3.058 1.00 32.54 H new ATOM 0 HA ARG B 159 14.342 1.655 2.288 1.00 74.45 H new ATOM 0 HB2 ARG B 159 14.681 -0.901 1.000 1.00 31.13 H new ATOM 0 HB3 ARG B 159 13.577 0.052 0.029 1.00 31.13 H new ATOM 0 HG2 ARG B 159 15.888 0.393 -0.734 1.00 35.42 H new ATOM 0 HG3 ARG B 159 15.237 1.893 -0.103 1.00 35.42 H new ATOM 0 HD2 ARG B 159 16.399 1.366 2.117 1.00 24.02 H new ATOM 0 HD3 ARG B 159 17.171 0.007 1.324 1.00 24.02 H new ATOM 0 HE ARG B 159 17.924 1.928 -0.374 1.00 61.45 H new ATOM 0 HH11 ARG B 159 17.828 2.061 3.176 1.00 1.51 H new ATOM 0 HH12 ARG B 159 19.126 3.256 3.269 1.00 1.51 H new ATOM 0 HH21 ARG B 159 19.548 3.463 -0.236 1.00 14.31 H new ATOM 0 HH22 ARG B 159 20.098 4.048 1.337 1.00 14.31 H new ATOM 2076 N TYR B 160 11.934 2.317 2.433 1.00 1.45 N ATOM 2077 CA TYR B 160 10.572 2.846 2.393 1.00 2.35 C ATOM 2078 C TYR B 160 10.401 3.725 1.167 1.00 63.12 C ATOM 2079 O TYR B 160 11.266 4.546 0.856 1.00 65.11 O ATOM 2080 CB TYR B 160 10.258 3.625 3.690 1.00 63.25 C ATOM 2081 CG TYR B 160 10.364 2.731 4.929 1.00 3.11 C ATOM 2082 CD1 TYR B 160 11.582 2.550 5.572 1.00 15.13 C ATOM 2083 CD2 TYR B 160 9.263 2.028 5.418 1.00 73.25 C ATOM 2084 CE1 TYR B 160 11.692 1.713 6.646 1.00 52.30 C ATOM 2085 CE2 TYR B 160 9.372 1.190 6.506 1.00 23.23 C ATOM 2086 CZ TYR B 160 10.592 1.034 7.113 1.00 73.14 C ATOM 2087 OH TYR B 160 10.719 0.195 8.197 1.00 11.03 O ATOM 0 H TYR B 160 12.597 2.940 2.894 1.00 1.45 H new ATOM 0 HA TYR B 160 9.865 2.019 2.325 1.00 2.35 H new ATOM 0 HB2 TYR B 160 10.948 4.464 3.787 1.00 63.25 H new ATOM 0 HB3 TYR B 160 9.254 4.044 3.629 1.00 63.25 H new ATOM 0 HD1 TYR B 160 12.455 3.079 5.218 1.00 15.13 H new ATOM 0 HD2 TYR B 160 8.305 2.143 4.933 1.00 73.25 H new ATOM 0 HE1 TYR B 160 12.648 1.584 7.131 1.00 52.30 H new ATOM 0 HE2 TYR B 160 8.506 0.662 6.877 1.00 23.23 H new ATOM 0 HH TYR B 160 9.884 0.196 8.711 1.00 11.03 H new ATOM 2097 N PHE B 161 9.299 3.494 0.465 1.00 3.43 N ATOM 2098 CA PHE B 161 8.929 4.203 -0.757 1.00 24.34 C ATOM 2099 C PHE B 161 7.470 4.690 -0.640 1.00 73.15 C ATOM 2100 O PHE B 161 6.896 4.733 0.463 1.00 42.52 O ATOM 2101 CB PHE B 161 9.115 3.268 -1.978 1.00 72.44 C ATOM 2102 CG PHE B 161 10.571 2.925 -2.334 1.00 63.31 C ATOM 2103 CD1 PHE B 161 11.220 1.827 -1.765 1.00 70.10 C ATOM 2104 CD2 PHE B 161 11.277 3.693 -3.260 1.00 11.02 C ATOM 2105 CE1 PHE B 161 12.522 1.516 -2.108 1.00 20.23 C ATOM 2106 CE2 PHE B 161 12.579 3.381 -3.603 1.00 52.21 C ATOM 2107 CZ PHE B 161 13.201 2.292 -3.028 1.00 12.22 C ATOM 0 H PHE B 161 8.616 2.787 0.737 1.00 3.43 H new ATOM 0 HA PHE B 161 9.572 5.072 -0.897 1.00 24.34 H new ATOM 0 HB2 PHE B 161 8.578 2.339 -1.787 1.00 72.44 H new ATOM 0 HB3 PHE B 161 8.648 3.734 -2.845 1.00 72.44 H new ATOM 0 HD1 PHE B 161 10.697 1.213 -1.047 1.00 70.10 H new ATOM 0 HD2 PHE B 161 10.798 4.546 -3.717 1.00 11.02 H new ATOM 0 HE1 PHE B 161 13.010 0.665 -1.656 1.00 20.23 H new ATOM 0 HE2 PHE B 161 13.109 3.989 -4.321 1.00 52.21 H new ATOM 0 HZ PHE B 161 14.218 2.046 -3.297 1.00 12.22 H new ATOM 2117 N ILE B 162 6.879 5.083 -1.780 1.00 62.05 N ATOM 2118 CA ILE B 162 5.564 5.747 -1.832 1.00 24.21 C ATOM 2119 C ILE B 162 4.810 5.194 -3.066 1.00 35.03 C ATOM 2120 O ILE B 162 5.453 4.789 -4.032 1.00 42.15 O ATOM 2121 CB ILE B 162 5.724 7.335 -1.961 1.00 4.04 C ATOM 2122 CG1 ILE B 162 6.936 7.897 -1.126 1.00 2.23 C ATOM 2123 CG2 ILE B 162 4.432 8.034 -1.517 1.00 51.10 C ATOM 2124 CD1 ILE B 162 7.251 9.371 -1.349 1.00 31.31 C ATOM 0 H ILE B 162 7.302 4.949 -2.698 1.00 62.05 H new ATOM 0 HA ILE B 162 5.013 5.546 -0.913 1.00 24.21 H new ATOM 0 HB ILE B 162 5.925 7.545 -3.012 1.00 4.04 H new ATOM 0 HG12 ILE B 162 6.729 7.743 -0.067 1.00 2.23 H new ATOM 0 HG13 ILE B 162 7.824 7.312 -1.366 1.00 2.23 H new ATOM 0 HG21 ILE B 162 4.552 9.113 -1.609 1.00 51.10 H new ATOM 0 HG22 ILE B 162 3.606 7.706 -2.148 1.00 51.10 H new ATOM 0 HG23 ILE B 162 4.219 7.780 -0.479 1.00 51.10 H new ATOM 0 HD11 ILE B 162 8.100 9.659 -0.729 1.00 31.31 H new ATOM 0 HD12 ILE B 162 7.495 9.536 -2.398 1.00 31.31 H new ATOM 0 HD13 ILE B 162 6.384 9.973 -1.079 1.00 31.31 H new ATOM 2136 N ILE B 163 3.463 5.127 -3.032 1.00 20.14 N ATOM 2137 CA ILE B 163 2.637 4.727 -4.205 1.00 44.45 C ATOM 2138 C ILE B 163 1.386 5.624 -4.268 1.00 52.31 C ATOM 2139 O ILE B 163 0.849 6.011 -3.229 1.00 74.02 O ATOM 2140 CB ILE B 163 2.163 3.211 -4.161 1.00 54.15 C ATOM 2141 CG1 ILE B 163 3.347 2.240 -3.884 1.00 52.30 C ATOM 2142 CG2 ILE B 163 1.448 2.810 -5.485 1.00 0.22 C ATOM 2143 CD1 ILE B 163 2.946 0.785 -3.723 1.00 13.50 C ATOM 0 H ILE B 163 2.914 5.346 -2.200 1.00 20.14 H new ATOM 0 HA ILE B 163 3.269 4.844 -5.085 1.00 44.45 H new ATOM 0 HB ILE B 163 1.456 3.125 -3.336 1.00 54.15 H new ATOM 0 HG12 ILE B 163 4.063 2.318 -4.703 1.00 52.30 H new ATOM 0 HG13 ILE B 163 3.861 2.564 -2.979 1.00 52.30 H new ATOM 0 HG21 ILE B 163 1.134 1.768 -5.428 1.00 0.22 H new ATOM 0 HG22 ILE B 163 0.574 3.445 -5.633 1.00 0.22 H new ATOM 0 HG23 ILE B 163 2.135 2.937 -6.322 1.00 0.22 H new ATOM 0 HD11 ILE B 163 3.834 0.182 -3.533 1.00 13.50 H new ATOM 0 HD12 ILE B 163 2.256 0.688 -2.885 1.00 13.50 H new ATOM 0 HD13 ILE B 163 2.460 0.438 -4.635 1.00 13.50 H new ATOM 2155 N HIS B 164 0.918 5.933 -5.491 1.00 35.42 N ATOM 2156 CA HIS B 164 -0.282 6.763 -5.704 1.00 34.14 C ATOM 2157 C HIS B 164 -1.548 5.897 -5.521 1.00 71.44 C ATOM 2158 O HIS B 164 -1.608 4.765 -6.021 1.00 73.52 O ATOM 2159 CB HIS B 164 -0.224 7.464 -7.091 1.00 72.42 C ATOM 2160 CG HIS B 164 -0.551 6.631 -8.306 1.00 41.10 C ATOM 2161 ND1 HIS B 164 -1.479 7.028 -9.251 1.00 14.35 N ATOM 2162 CD2 HIS B 164 -0.046 5.457 -8.757 1.00 73.03 C ATOM 2163 CE1 HIS B 164 -1.526 6.140 -10.218 1.00 71.13 C ATOM 2164 NE2 HIS B 164 -0.673 5.180 -9.942 1.00 2.24 N ATOM 0 H HIS B 164 1.358 5.616 -6.355 1.00 35.42 H new ATOM 0 HA HIS B 164 -0.319 7.559 -4.960 1.00 34.14 H new ATOM 0 HB2 HIS B 164 -0.910 8.311 -7.069 1.00 72.42 H new ATOM 0 HB3 HIS B 164 0.779 7.870 -7.221 1.00 72.42 H new ATOM 0 HD2 HIS B 164 0.708 4.854 -8.273 1.00 73.03 H new ATOM 0 HE1 HIS B 164 -2.159 6.191 -11.092 1.00 71.13 H new ATOM 0 HE2 HIS B 164 -0.504 4.357 -10.520 1.00 2.24 H new ATOM 2173 N ALA B 165 -2.545 6.429 -4.797 1.00 22.21 N ATOM 2174 CA ALA B 165 -3.669 5.622 -4.258 1.00 72.50 C ATOM 2175 C ALA B 165 -5.036 5.947 -4.896 1.00 1.42 C ATOM 2176 O ALA B 165 -6.073 5.471 -4.410 1.00 31.43 O ATOM 2177 CB ALA B 165 -3.716 5.832 -2.742 1.00 41.31 C ATOM 0 H ALA B 165 -2.602 7.421 -4.566 1.00 22.21 H new ATOM 0 HA ALA B 165 -3.482 4.578 -4.508 1.00 72.50 H new ATOM 0 HB1 ALA B 165 -4.534 5.249 -2.319 1.00 41.31 H new ATOM 0 HB2 ALA B 165 -2.774 5.508 -2.300 1.00 41.31 H new ATOM 0 HB3 ALA B 165 -3.873 6.889 -2.526 1.00 41.31 H new ATOM 2183 N HIS B 166 -5.051 6.757 -5.974 1.00 75.42 N ATOM 2184 CA HIS B 166 -6.308 7.100 -6.685 1.00 53.34 C ATOM 2185 C HIS B 166 -6.631 6.025 -7.729 1.00 22.02 C ATOM 2186 O HIS B 166 -7.776 5.585 -7.850 1.00 70.31 O ATOM 2187 CB HIS B 166 -6.214 8.494 -7.356 1.00 13.13 C ATOM 2188 CG HIS B 166 -7.525 9.010 -7.898 1.00 34.23 C ATOM 2189 ND1 HIS B 166 -8.571 9.397 -7.083 1.00 2.34 N ATOM 2190 CD2 HIS B 166 -7.958 9.192 -9.169 1.00 71.42 C ATOM 2191 CE1 HIS B 166 -9.583 9.795 -7.829 1.00 14.43 C ATOM 2192 NE2 HIS B 166 -9.236 9.682 -9.096 1.00 3.32 N ATOM 0 H HIS B 166 -4.215 7.185 -6.372 1.00 75.42 H new ATOM 0 HA HIS B 166 -7.113 7.138 -5.951 1.00 53.34 H new ATOM 0 HB2 HIS B 166 -5.827 9.209 -6.630 1.00 13.13 H new ATOM 0 HB3 HIS B 166 -5.491 8.445 -8.170 1.00 13.13 H new ATOM 0 HD2 HIS B 166 -7.400 8.989 -10.071 1.00 71.42 H new ATOM 0 HE1 HIS B 166 -10.534 10.153 -7.464 1.00 14.43 H new ATOM 0 HE2 HIS B 166 -9.824 9.921 -9.894 1.00 3.32 H new ATOM 2201 N LYS B 167 -5.605 5.635 -8.500 1.00 64.52 N ATOM 2202 CA LYS B 167 -5.725 4.564 -9.494 1.00 33.32 C ATOM 2203 C LYS B 167 -5.275 3.245 -8.852 1.00 65.25 C ATOM 2204 O LYS B 167 -4.083 3.037 -8.603 1.00 14.44 O ATOM 2205 CB LYS B 167 -4.902 4.887 -10.767 1.00 14.05 C ATOM 2206 CG LYS B 167 -5.141 3.903 -11.936 1.00 75.14 C ATOM 2207 CD LYS B 167 -4.430 4.328 -13.237 1.00 64.45 C ATOM 2208 CE LYS B 167 -4.743 3.382 -14.406 1.00 25.33 C ATOM 2209 NZ LYS B 167 -4.062 3.806 -15.654 1.00 41.44 N ATOM 0 H LYS B 167 -4.675 6.052 -8.451 1.00 64.52 H new ATOM 0 HA LYS B 167 -6.764 4.473 -9.809 1.00 33.32 H new ATOM 0 HB2 LYS B 167 -5.146 5.896 -11.099 1.00 14.05 H new ATOM 0 HB3 LYS B 167 -3.842 4.883 -10.513 1.00 14.05 H new ATOM 0 HG2 LYS B 167 -4.793 2.912 -11.646 1.00 75.14 H new ATOM 0 HG3 LYS B 167 -6.212 3.823 -12.123 1.00 75.14 H new ATOM 0 HD2 LYS B 167 -4.734 5.341 -13.501 1.00 64.45 H new ATOM 0 HD3 LYS B 167 -3.353 4.352 -13.069 1.00 64.45 H new ATOM 0 HE2 LYS B 167 -4.432 2.370 -14.148 1.00 25.33 H new ATOM 0 HE3 LYS B 167 -5.820 3.352 -14.571 1.00 25.33 H new ATOM 0 HZ1 LYS B 167 -4.297 3.143 -16.420 1.00 41.44 H new ATOM 0 HZ2 LYS B 167 -4.378 4.762 -15.914 1.00 41.44 H new ATOM 0 HZ3 LYS B 167 -3.033 3.810 -15.504 1.00 41.44 H new ATOM 2223 N LEU B 168 -6.251 2.394 -8.536 1.00 64.44 N ATOM 2224 CA LEU B 168 -6.042 1.091 -7.892 1.00 62.01 C ATOM 2225 C LEU B 168 -6.451 -0.034 -8.852 1.00 62.04 C ATOM 2226 O LEU B 168 -7.447 0.092 -9.580 1.00 61.43 O ATOM 2227 CB LEU B 168 -6.877 1.052 -6.588 1.00 53.34 C ATOM 2228 CG LEU B 168 -6.412 2.039 -5.466 1.00 52.12 C ATOM 2229 CD1 LEU B 168 -7.546 2.414 -4.492 1.00 52.31 C ATOM 2230 CD2 LEU B 168 -5.212 1.471 -4.699 1.00 72.13 C ATOM 0 H LEU B 168 -7.233 2.593 -8.724 1.00 64.44 H new ATOM 0 HA LEU B 168 -4.990 0.948 -7.645 1.00 62.01 H new ATOM 0 HB2 LEU B 168 -7.916 1.272 -6.835 1.00 53.34 H new ATOM 0 HB3 LEU B 168 -6.852 0.038 -6.190 1.00 53.34 H new ATOM 0 HG LEU B 168 -6.109 2.957 -5.969 1.00 52.12 H new ATOM 0 HD11 LEU B 168 -7.164 3.100 -3.736 1.00 52.31 H new ATOM 0 HD12 LEU B 168 -8.355 2.894 -5.043 1.00 52.31 H new ATOM 0 HD13 LEU B 168 -7.922 1.513 -4.007 1.00 52.31 H new ATOM 0 HD21 LEU B 168 -4.908 2.176 -3.925 1.00 72.13 H new ATOM 0 HD22 LEU B 168 -5.490 0.523 -4.238 1.00 72.13 H new ATOM 0 HD23 LEU B 168 -4.383 1.309 -5.388 1.00 72.13 H new ATOM 2242 N LEU B 169 -5.673 -1.124 -8.846 1.00 72.02 N ATOM 2243 CA LEU B 169 -5.904 -2.292 -9.704 1.00 20.34 C ATOM 2244 C LEU B 169 -7.085 -3.109 -9.166 1.00 64.13 C ATOM 2245 O LEU B 169 -6.907 -3.983 -8.309 1.00 2.52 O ATOM 2246 CB LEU B 169 -4.618 -3.157 -9.769 1.00 72.40 C ATOM 2247 CG LEU B 169 -3.334 -2.419 -10.260 1.00 14.15 C ATOM 2248 CD1 LEU B 169 -2.088 -3.318 -10.117 1.00 20.51 C ATOM 2249 CD2 LEU B 169 -3.501 -1.897 -11.709 1.00 31.14 C ATOM 0 H LEU B 169 -4.858 -1.220 -8.240 1.00 72.02 H new ATOM 0 HA LEU B 169 -6.148 -1.959 -10.713 1.00 20.34 H new ATOM 0 HB2 LEU B 169 -4.425 -3.564 -8.776 1.00 72.40 H new ATOM 0 HB3 LEU B 169 -4.804 -4.004 -10.430 1.00 72.40 H new ATOM 0 HG LEU B 169 -3.185 -1.549 -9.621 1.00 14.15 H new ATOM 0 HD11 LEU B 169 -1.208 -2.778 -10.467 1.00 20.51 H new ATOM 0 HD12 LEU B 169 -1.954 -3.591 -9.070 1.00 20.51 H new ATOM 0 HD13 LEU B 169 -2.220 -4.221 -10.713 1.00 20.51 H new ATOM 0 HD21 LEU B 169 -2.589 -1.388 -12.020 1.00 31.14 H new ATOM 0 HD22 LEU B 169 -3.695 -2.736 -12.378 1.00 31.14 H new ATOM 0 HD23 LEU B 169 -4.338 -1.199 -11.750 1.00 31.14 H new ATOM 2261 N ASP B 170 -8.300 -2.764 -9.612 1.00 4.12 N ATOM 2262 CA ASP B 170 -9.512 -3.517 -9.253 1.00 72.32 C ATOM 2263 C ASP B 170 -9.770 -4.588 -10.335 1.00 51.32 C ATOM 2264 O ASP B 170 -10.017 -4.242 -11.493 1.00 2.22 O ATOM 2265 CB ASP B 170 -10.746 -2.609 -9.080 1.00 61.22 C ATOM 2266 CG ASP B 170 -11.947 -3.348 -8.436 1.00 24.41 C ATOM 2267 OD1 ASP B 170 -12.706 -4.032 -9.154 1.00 43.41 O ATOM 2268 OD2 ASP B 170 -12.132 -3.260 -7.203 1.00 52.33 O ATOM 0 H ASP B 170 -8.471 -1.966 -10.224 1.00 4.12 H new ATOM 0 HA ASP B 170 -9.345 -3.990 -8.285 1.00 72.32 H new ATOM 0 HB2 ASP B 170 -10.478 -1.752 -8.462 1.00 61.22 H new ATOM 0 HB3 ASP B 170 -11.044 -2.219 -10.053 1.00 61.22 H new ATOM 2273 N PRO B 171 -9.706 -5.897 -9.967 1.00 73.13 N ATOM 2274 CA PRO B 171 -9.900 -7.035 -10.906 1.00 12.20 C ATOM 2275 C PRO B 171 -11.303 -7.098 -11.545 1.00 11.41 C ATOM 2276 O PRO B 171 -11.445 -7.549 -12.686 1.00 51.30 O ATOM 2277 CB PRO B 171 -9.643 -8.271 -10.012 1.00 25.42 C ATOM 2278 CG PRO B 171 -8.861 -7.742 -8.855 1.00 50.43 C ATOM 2279 CD PRO B 171 -9.406 -6.378 -8.601 1.00 22.41 C ATOM 0 HA PRO B 171 -9.236 -6.954 -11.767 1.00 12.20 H new ATOM 0 HB2 PRO B 171 -10.578 -8.725 -9.684 1.00 25.42 H new ATOM 0 HB3 PRO B 171 -9.087 -9.040 -10.548 1.00 25.42 H new ATOM 0 HG2 PRO B 171 -8.975 -8.380 -7.979 1.00 50.43 H new ATOM 0 HG3 PRO B 171 -7.796 -7.703 -9.085 1.00 50.43 H new ATOM 0 HD2 PRO B 171 -10.298 -6.407 -7.975 1.00 22.41 H new ATOM 0 HD3 PRO B 171 -8.682 -5.739 -8.095 1.00 22.41 H new