USER MOD reduce.3.24.130724 H: found=0, std=0, add=1104, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 1104 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 111 CYS SG : rot -92:sc= -2.15 USER MOD Set 1.2: A 116 LYS NZ :NH3+ -123:sc= 1.31 (180deg=-0.216) USER MOD Set 2.1: A 63 CYS SG : rot -47:sc=-0.00146 USER MOD Set 2.2: A 68 LYS NZ :NH3+ -119:sc= 1.03 (180deg=-0.732) USER MOD Set 3.1: A 54 GLN : amide:sc= 0 X(o=0,f=-0.31) USER MOD Set 3.2: A 58 LYS NZ :NH3+ 174:sc= 0 (180deg=0) USER MOD Set 4.1: A 37 GLN :FLIP amide:sc= 0.762 F(o=-1.8,f=1.6) USER MOD Set 4.2: A 40 LYS NZ :NH3+ 151:sc= 0.872 (180deg=0) USER MOD Set 5.1: A 10 MET CE :methyl -119:sc= -1.6 (180deg=-1.55) USER MOD Set 5.2: A 51 HIS : no HD1:sc= -0.245 X(o=-1.8,f=-2.2) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 THR OG1 : rot 74:sc= 0.786 USER MOD Single : A 17 ASN :FLIP amide:sc= -0.928 F(o=-2.5,f=-0.93) USER MOD Single : A 18 SER OG : rot -73:sc= 0.947 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot 59:sc= 1.12 USER MOD Single : A 24 ASN : amide:sc= 1.11 K(o=1.1,f=-0.04) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 149:sc= -0.0722 (180deg=-1.09) USER MOD Single : A 34 LYS NZ :NH3+ 131:sc= -0.0159 (180deg=-0.523) USER MOD Single : A 35 MET CE :methyl -133:sc= -1.2 (180deg=-2.54!) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 75:sc= -0.236 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 TYR OH : rot 30:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ 161:sc= -0.278 (180deg=-0.941) USER MOD Single : A 67 TYR OH : rot 176:sc= -0.241 USER MOD Single : A 73 TYR OH : rot 180:sc= -0.499 USER MOD Single : A 77 SER OG : rot 82:sc= 0.273 USER MOD Single : A 81 GLN :FLIP amide:sc= -0.962 F(o=-2,f=-0.96) USER MOD Single : A 82 SER OG : rot -137:sc= -0.0406 USER MOD Single : A 84 HIS : no HD1:sc= -0.0364 X(o=-0.036,f=0) USER MOD Single : A 85 GLN :FLIP amide:sc= -3.15! C(o=-4.7!,f=-3.1!) USER MOD Single : A 98 SER OG : rot 73:sc= 1.15 USER MOD Single : A 99 ASN : amide:sc= -0.748 K(o=-0.75,f=-2.1) USER MOD Single : A 100 ASN : amide:sc= 0 X(o=0,f=-0.0022) USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 104 THR OG1 : rot 150:sc= -0.879 USER MOD Single : A 106 GLN : amide:sc= 0.306 K(o=0.31,f=-1.4!) USER MOD Single : A 107 ASN : amide:sc= -0.663 K(o=-0.66,f=-1.5) USER MOD Single : A 109 TYR OH : rot -153:sc= 0.876 USER MOD Single : A 117 SER OG : rot 180:sc= 0 USER MOD Single : A 118 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 124 ASN : amide:sc= 0.196 X(o=0.2,f=0) USER MOD Single : A 127 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 128 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 129 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 130 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 133 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 134 SER OG : rot 180:sc= 0 USER MOD Single : A 138 GLN : amide:sc= 0.342 K(o=0.34,f=-0.27) USER MOD Single : A 143 MET CE :methyl -164:sc= -3.99! (180deg=-5.39) USER MOD ----------------------------------------------------------------- ATOM 92 N MET A 10 -17.104 11.600 2.278 1.00 0.00 N ATOM 93 CA MET A 10 -15.864 10.927 1.909 1.00 0.00 C ATOM 94 C MET A 10 -16.146 9.706 1.039 1.00 0.00 C ATOM 95 O MET A 10 -15.481 8.678 1.162 1.00 0.00 O ATOM 96 CB MET A 10 -15.094 10.507 3.163 1.00 0.00 C ATOM 97 CG MET A 10 -14.671 11.677 4.036 1.00 0.00 C ATOM 98 SD MET A 10 -13.672 11.164 5.447 1.00 0.00 S ATOM 99 CE MET A 10 -12.195 10.577 4.621 1.00 0.00 C ATOM 0 HA MET A 10 -15.257 11.627 1.336 1.00 0.00 H new ATOM 0 HB2 MET A 10 -15.715 9.831 3.751 1.00 0.00 H new ATOM 0 HB3 MET A 10 -14.207 9.947 2.865 1.00 0.00 H new ATOM 0 HG2 MET A 10 -14.105 12.388 3.434 1.00 0.00 H new ATOM 0 HG3 MET A 10 -15.559 12.198 4.394 1.00 0.00 H new ATOM 0 HE1 MET A 10 -12.048 9.521 4.846 1.00 0.00 H new ATOM 0 HE2 MET A 10 -12.304 10.707 3.544 1.00 0.00 H new ATOM 0 HE3 MET A 10 -11.333 11.146 4.970 1.00 0.00 H new ATOM 109 N GLU A 11 -17.136 9.828 0.160 1.00 0.00 N ATOM 110 CA GLU A 11 -17.505 8.733 -0.730 1.00 0.00 C ATOM 111 C GLU A 11 -16.307 8.275 -1.555 1.00 0.00 C ATOM 112 O GLU A 11 -16.113 7.080 -1.777 1.00 0.00 O ATOM 113 CB GLU A 11 -18.643 9.162 -1.658 1.00 0.00 C ATOM 114 CG GLU A 11 -19.145 8.049 -2.562 1.00 0.00 C ATOM 115 CD GLU A 11 -20.221 8.517 -3.522 1.00 0.00 C ATOM 116 OE1 GLU A 11 -19.891 9.278 -4.456 1.00 0.00 O ATOM 117 OE2 GLU A 11 -21.392 8.122 -3.341 1.00 0.00 O ATOM 0 H GLU A 11 -17.696 10.673 0.045 1.00 0.00 H new ATOM 0 HA GLU A 11 -17.842 7.898 -0.116 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -19.473 9.530 -1.055 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -18.303 9.994 -2.275 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -18.308 7.643 -3.130 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -19.538 7.238 -1.949 1.00 0.00 H new ATOM 124 N ALA A 12 -15.506 9.234 -2.008 1.00 0.00 N ATOM 125 CA ALA A 12 -14.325 8.929 -2.807 1.00 0.00 C ATOM 126 C ALA A 12 -13.418 7.935 -2.090 1.00 0.00 C ATOM 127 O ALA A 12 -12.976 6.947 -2.677 1.00 0.00 O ATOM 128 CB ALA A 12 -13.563 10.206 -3.129 1.00 0.00 C ATOM 0 H ALA A 12 -15.653 10.228 -1.835 1.00 0.00 H new ATOM 0 HA ALA A 12 -14.655 8.471 -3.739 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -12.684 9.964 -3.726 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -14.208 10.883 -3.690 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -13.251 10.687 -2.202 1.00 0.00 H new ATOM 134 N VAL A 13 -13.143 8.203 -0.818 1.00 0.00 N ATOM 135 CA VAL A 13 -12.288 7.332 -0.020 1.00 0.00 C ATOM 136 C VAL A 13 -12.894 5.939 0.112 1.00 0.00 C ATOM 137 O VAL A 13 -12.360 4.964 -0.417 1.00 0.00 O ATOM 138 CB VAL A 13 -12.051 7.913 1.386 1.00 0.00 C ATOM 139 CG1 VAL A 13 -11.242 6.944 2.235 1.00 0.00 C ATOM 140 CG2 VAL A 13 -11.355 9.263 1.294 1.00 0.00 C ATOM 0 H VAL A 13 -13.500 9.017 -0.317 1.00 0.00 H new ATOM 0 HA VAL A 13 -11.333 7.262 -0.541 1.00 0.00 H new ATOM 0 HB VAL A 13 -13.018 8.060 1.867 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -11.084 7.372 3.225 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -11.783 6.003 2.328 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -10.278 6.762 1.761 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -11.195 9.659 2.297 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -10.394 9.144 0.794 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -11.976 9.955 0.725 1.00 0.00 H new ATOM 150 N LYS A 14 -14.014 5.853 0.822 1.00 0.00 N ATOM 151 CA LYS A 14 -14.696 4.580 1.024 1.00 0.00 C ATOM 152 C LYS A 14 -14.545 3.682 -0.199 1.00 0.00 C ATOM 153 O LYS A 14 -14.323 2.477 -0.075 1.00 0.00 O ATOM 154 CB LYS A 14 -16.179 4.814 1.318 1.00 0.00 C ATOM 155 CG LYS A 14 -16.428 5.670 2.548 1.00 0.00 C ATOM 156 CD LYS A 14 -17.783 6.355 2.485 1.00 0.00 C ATOM 157 CE LYS A 14 -17.768 7.687 3.219 1.00 0.00 C ATOM 158 NZ LYS A 14 -19.103 8.023 3.787 1.00 0.00 N ATOM 0 H LYS A 14 -14.469 6.650 1.267 1.00 0.00 H new ATOM 0 HA LYS A 14 -14.237 4.082 1.878 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -16.641 5.291 0.454 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -16.671 3.850 1.451 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -16.375 5.049 3.442 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -15.643 6.421 2.635 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -18.063 6.515 1.444 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -18.541 5.706 2.923 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -17.031 7.651 4.021 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -17.456 8.475 2.534 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -19.051 8.938 4.279 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -19.802 8.082 3.019 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -19.390 7.284 4.460 1.00 0.00 H new ATOM 172 N THR A 15 -14.664 4.276 -1.383 1.00 0.00 N ATOM 173 CA THR A 15 -14.540 3.529 -2.628 1.00 0.00 C ATOM 174 C THR A 15 -13.160 2.894 -2.754 1.00 0.00 C ATOM 175 O THR A 15 -13.039 1.695 -3.010 1.00 0.00 O ATOM 176 CB THR A 15 -14.790 4.432 -3.851 1.00 0.00 C ATOM 177 OG1 THR A 15 -16.103 5.000 -3.781 1.00 0.00 O ATOM 178 CG2 THR A 15 -14.642 3.645 -5.144 1.00 0.00 C ATOM 0 H THR A 15 -14.846 5.272 -1.505 1.00 0.00 H new ATOM 0 HA THR A 15 -15.297 2.745 -2.603 1.00 0.00 H new ATOM 0 HB THR A 15 -14.048 5.230 -3.843 1.00 0.00 H new ATOM 0 HG1 THR A 15 -16.118 5.707 -3.102 1.00 0.00 H new ATOM 0 HG21 THR A 15 -14.823 4.304 -5.994 1.00 0.00 H new ATOM 0 HG22 THR A 15 -13.633 3.238 -5.209 1.00 0.00 H new ATOM 0 HG23 THR A 15 -15.364 2.828 -5.158 1.00 0.00 H new ATOM 186 N PHE A 16 -12.122 3.703 -2.571 1.00 0.00 N ATOM 187 CA PHE A 16 -10.750 3.219 -2.664 1.00 0.00 C ATOM 188 C PHE A 16 -10.444 2.232 -1.540 1.00 0.00 C ATOM 189 O PHE A 16 -9.718 1.259 -1.736 1.00 0.00 O ATOM 190 CB PHE A 16 -9.768 4.391 -2.609 1.00 0.00 C ATOM 191 CG PHE A 16 -8.335 3.967 -2.469 1.00 0.00 C ATOM 192 CD1 PHE A 16 -7.821 3.611 -1.233 1.00 0.00 C ATOM 193 CD2 PHE A 16 -7.500 3.924 -3.575 1.00 0.00 C ATOM 194 CE1 PHE A 16 -6.502 3.219 -1.101 1.00 0.00 C ATOM 195 CE2 PHE A 16 -6.180 3.533 -3.449 1.00 0.00 C ATOM 196 CZ PHE A 16 -5.680 3.181 -2.210 1.00 0.00 C ATOM 0 H PHE A 16 -12.205 4.697 -2.357 1.00 0.00 H new ATOM 0 HA PHE A 16 -10.637 2.704 -3.618 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -9.875 4.987 -3.515 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -10.031 5.036 -1.771 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -8.459 3.640 -0.362 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -7.885 4.199 -4.546 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -6.115 2.943 -0.131 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -5.540 3.503 -4.318 1.00 0.00 H new ATOM 0 HZ PHE A 16 -4.649 2.877 -2.109 1.00 0.00 H new ATOM 206 N ASN A 17 -11.004 2.493 -0.363 1.00 0.00 N ATOM 207 CA ASN A 17 -10.790 1.629 0.792 1.00 0.00 C ATOM 208 C ASN A 17 -11.170 0.187 0.471 1.00 0.00 C ATOM 209 O ASN A 17 -10.717 -0.747 1.133 1.00 0.00 O ATOM 210 CB ASN A 17 -11.606 2.129 1.986 1.00 0.00 C ATOM 211 CG ASN A 17 -10.827 3.100 2.853 1.00 0.00 C ATOM 212 OD1 ASN A 17 -10.362 4.189 2.251 1.00 0.00 O flip ATOM 213 ND2 ASN A 17 -10.645 2.873 4.049 1.00 0.00 N flip ATOM 0 H ASN A 17 -11.609 3.295 -0.184 1.00 0.00 H new ATOM 0 HA ASN A 17 -9.730 1.659 1.045 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -12.512 2.615 1.625 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -11.920 1.278 2.590 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -11.021 2.023 4.470 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -10.119 3.535 4.619 1.00 0.00 H new ATOM 220 N SER A 18 -12.003 0.013 -0.550 1.00 0.00 N ATOM 221 CA SER A 18 -12.447 -1.315 -0.957 1.00 0.00 C ATOM 222 C SER A 18 -11.503 -1.906 -2.000 1.00 0.00 C ATOM 223 O SER A 18 -11.112 -3.069 -1.909 1.00 0.00 O ATOM 224 CB SER A 18 -13.869 -1.251 -1.517 1.00 0.00 C ATOM 225 OG SER A 18 -13.888 -0.632 -2.792 1.00 0.00 O ATOM 0 H SER A 18 -12.384 0.775 -1.111 1.00 0.00 H new ATOM 0 HA SER A 18 -12.440 -1.960 -0.078 1.00 0.00 H new ATOM 0 HB2 SER A 18 -14.279 -2.258 -1.592 1.00 0.00 H new ATOM 0 HB3 SER A 18 -14.509 -0.697 -0.831 1.00 0.00 H new ATOM 0 HG SER A 18 -13.742 0.332 -2.690 1.00 0.00 H new ATOM 231 N GLU A 19 -11.143 -1.096 -2.991 1.00 0.00 N ATOM 232 CA GLU A 19 -10.247 -1.539 -4.052 1.00 0.00 C ATOM 233 C GLU A 19 -8.870 -1.884 -3.492 1.00 0.00 C ATOM 234 O GLU A 19 -8.251 -2.869 -3.896 1.00 0.00 O ATOM 235 CB GLU A 19 -10.116 -0.456 -5.125 1.00 0.00 C ATOM 236 CG GLU A 19 -11.451 0.099 -5.595 1.00 0.00 C ATOM 237 CD GLU A 19 -12.266 -0.918 -6.369 1.00 0.00 C ATOM 238 OE1 GLU A 19 -11.981 -2.127 -6.244 1.00 0.00 O ATOM 239 OE2 GLU A 19 -13.190 -0.504 -7.101 1.00 0.00 O ATOM 0 H GLU A 19 -11.458 -0.130 -3.081 1.00 0.00 H new ATOM 0 HA GLU A 19 -10.673 -2.436 -4.501 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -9.510 0.361 -4.733 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -9.581 -0.867 -5.981 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -12.024 0.437 -4.731 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -11.276 0.973 -6.223 1.00 0.00 H new ATOM 246 N LEU A 20 -8.395 -1.065 -2.559 1.00 0.00 N ATOM 247 CA LEU A 20 -7.091 -1.282 -1.943 1.00 0.00 C ATOM 248 C LEU A 20 -7.004 -2.675 -1.328 1.00 0.00 C ATOM 249 O LEU A 20 -6.161 -3.484 -1.716 1.00 0.00 O ATOM 250 CB LEU A 20 -6.829 -0.222 -0.872 1.00 0.00 C ATOM 251 CG LEU A 20 -5.405 -0.168 -0.315 1.00 0.00 C ATOM 252 CD1 LEU A 20 -5.176 -1.301 0.674 1.00 0.00 C ATOM 253 CD2 LEU A 20 -4.388 -0.229 -1.445 1.00 0.00 C ATOM 0 H LEU A 20 -8.894 -0.245 -2.213 1.00 0.00 H new ATOM 0 HA LEU A 20 -6.331 -1.200 -2.720 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -7.072 0.755 -1.289 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -7.516 -0.394 -0.043 1.00 0.00 H new ATOM 0 HG LEU A 20 -5.276 0.778 0.212 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -4.158 -1.247 1.060 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -5.882 -1.212 1.499 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -5.323 -2.257 0.172 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -3.381 -0.189 -1.030 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -4.516 -1.159 -2.000 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -4.538 0.617 -2.115 1.00 0.00 H new ATOM 265 N TYR A 21 -7.882 -2.949 -0.370 1.00 0.00 N ATOM 266 CA TYR A 21 -7.904 -4.244 0.299 1.00 0.00 C ATOM 267 C TYR A 21 -8.437 -5.329 -0.632 1.00 0.00 C ATOM 268 O TYR A 21 -8.051 -6.494 -0.532 1.00 0.00 O ATOM 269 CB TYR A 21 -8.764 -4.175 1.562 1.00 0.00 C ATOM 270 CG TYR A 21 -8.089 -3.467 2.716 1.00 0.00 C ATOM 271 CD1 TYR A 21 -7.996 -2.081 2.747 1.00 0.00 C ATOM 272 CD2 TYR A 21 -7.543 -4.184 3.773 1.00 0.00 C ATOM 273 CE1 TYR A 21 -7.380 -1.430 3.798 1.00 0.00 C ATOM 274 CE2 TYR A 21 -6.927 -3.542 4.829 1.00 0.00 C ATOM 275 CZ TYR A 21 -6.847 -2.165 4.837 1.00 0.00 C ATOM 276 OH TYR A 21 -6.232 -1.521 5.886 1.00 0.00 O ATOM 0 H TYR A 21 -8.588 -2.291 -0.039 1.00 0.00 H new ATOM 0 HA TYR A 21 -6.881 -4.498 0.577 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -9.697 -3.663 1.328 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -9.024 -5.188 1.870 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -8.412 -1.503 1.935 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -7.601 -5.262 3.769 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -7.316 -0.352 3.806 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -6.510 -4.115 5.644 1.00 0.00 H new ATOM 0 HH TYR A 21 -5.912 -2.183 6.534 1.00 0.00 H new ATOM 286 N SER A 22 -9.325 -4.937 -1.540 1.00 0.00 N ATOM 287 CA SER A 22 -9.914 -5.875 -2.489 1.00 0.00 C ATOM 288 C SER A 22 -8.858 -6.835 -3.029 1.00 0.00 C ATOM 289 O SER A 22 -9.146 -8.000 -3.308 1.00 0.00 O ATOM 290 CB SER A 22 -10.571 -5.119 -3.645 1.00 0.00 C ATOM 291 OG SER A 22 -11.934 -4.847 -3.366 1.00 0.00 O ATOM 0 H SER A 22 -9.653 -3.976 -1.639 1.00 0.00 H new ATOM 0 HA SER A 22 -10.674 -6.455 -1.965 1.00 0.00 H new ATOM 0 HB2 SER A 22 -10.039 -4.184 -3.822 1.00 0.00 H new ATOM 0 HB3 SER A 22 -10.494 -5.707 -4.559 1.00 0.00 H new ATOM 0 HG SER A 22 -12.000 -4.316 -2.545 1.00 0.00 H new ATOM 297 N LEU A 23 -7.635 -6.339 -3.174 1.00 0.00 N ATOM 298 CA LEU A 23 -6.535 -7.151 -3.681 1.00 0.00 C ATOM 299 C LEU A 23 -6.645 -8.589 -3.183 1.00 0.00 C ATOM 300 O LEU A 23 -6.393 -9.535 -3.928 1.00 0.00 O ATOM 301 CB LEU A 23 -5.193 -6.553 -3.253 1.00 0.00 C ATOM 302 CG LEU A 23 -4.649 -5.427 -4.134 1.00 0.00 C ATOM 303 CD1 LEU A 23 -3.334 -4.903 -3.578 1.00 0.00 C ATOM 304 CD2 LEU A 23 -4.471 -5.909 -5.566 1.00 0.00 C ATOM 0 H LEU A 23 -7.380 -5.378 -2.948 1.00 0.00 H new ATOM 0 HA LEU A 23 -6.593 -7.157 -4.769 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -5.294 -6.175 -2.236 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -4.454 -7.354 -3.223 1.00 0.00 H new ATOM 0 HG LEU A 23 -5.371 -4.610 -4.134 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -2.962 -4.103 -4.217 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -3.492 -4.519 -2.570 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -2.604 -5.712 -3.547 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -4.083 -5.095 -6.178 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -3.769 -6.743 -5.585 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -5.433 -6.235 -5.962 1.00 0.00 H new ATOM 316 N ASN A 24 -7.025 -8.744 -1.919 1.00 0.00 N ATOM 317 CA ASN A 24 -7.171 -10.067 -1.322 1.00 0.00 C ATOM 318 C ASN A 24 -7.776 -11.050 -2.319 1.00 0.00 C ATOM 319 O ASN A 24 -7.272 -12.159 -2.497 1.00 0.00 O ATOM 320 CB ASN A 24 -8.045 -9.990 -0.069 1.00 0.00 C ATOM 321 CG ASN A 24 -7.251 -9.622 1.169 1.00 0.00 C ATOM 322 OD1 ASN A 24 -6.836 -10.492 1.936 1.00 0.00 O ATOM 323 ND2 ASN A 24 -7.034 -8.328 1.370 1.00 0.00 N ATOM 0 H ASN A 24 -7.237 -7.971 -1.289 1.00 0.00 H new ATOM 0 HA ASN A 24 -6.180 -10.424 -1.044 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -8.833 -9.253 -0.224 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -8.534 -10.951 0.089 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -6.505 -8.020 2.186 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -7.396 -7.641 0.709 1.00 0.00 H new ATOM 330 N ASP A 25 -8.860 -10.636 -2.966 1.00 0.00 N ATOM 331 CA ASP A 25 -9.534 -11.479 -3.947 1.00 0.00 C ATOM 332 C ASP A 25 -8.530 -12.091 -4.919 1.00 0.00 C ATOM 333 O ASP A 25 -8.629 -13.266 -5.273 1.00 0.00 O ATOM 334 CB ASP A 25 -10.578 -10.668 -4.716 1.00 0.00 C ATOM 335 CG ASP A 25 -11.722 -10.211 -3.832 1.00 0.00 C ATOM 336 OD1 ASP A 25 -11.463 -9.854 -2.664 1.00 0.00 O ATOM 337 OD2 ASP A 25 -12.876 -10.210 -4.309 1.00 0.00 O ATOM 0 H ASP A 25 -9.291 -9.722 -2.829 1.00 0.00 H new ATOM 0 HA ASP A 25 -10.034 -12.287 -3.413 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -10.099 -9.798 -5.165 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -10.973 -11.271 -5.533 1.00 0.00 H new ATOM 342 N TYR A 26 -7.564 -11.286 -5.349 1.00 0.00 N ATOM 343 CA TYR A 26 -6.544 -11.747 -6.283 1.00 0.00 C ATOM 344 C TYR A 26 -5.195 -11.898 -5.586 1.00 0.00 C ATOM 345 O TYR A 26 -4.779 -11.031 -4.818 1.00 0.00 O ATOM 346 CB TYR A 26 -6.418 -10.772 -7.455 1.00 0.00 C ATOM 347 CG TYR A 26 -7.709 -10.062 -7.793 1.00 0.00 C ATOM 348 CD1 TYR A 26 -8.195 -9.040 -6.988 1.00 0.00 C ATOM 349 CD2 TYR A 26 -8.443 -10.413 -8.920 1.00 0.00 C ATOM 350 CE1 TYR A 26 -9.375 -8.389 -7.293 1.00 0.00 C ATOM 351 CE2 TYR A 26 -9.623 -9.766 -9.234 1.00 0.00 C ATOM 352 CZ TYR A 26 -10.085 -8.756 -8.417 1.00 0.00 C ATOM 353 OH TYR A 26 -11.260 -8.109 -8.725 1.00 0.00 O ATOM 0 H TYR A 26 -7.466 -10.311 -5.065 1.00 0.00 H new ATOM 0 HA TYR A 26 -6.849 -12.723 -6.661 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -5.656 -10.029 -7.219 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -6.071 -11.316 -8.334 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -7.641 -8.749 -6.108 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -8.085 -11.205 -9.561 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -9.739 -7.597 -6.655 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -10.180 -10.050 -10.114 1.00 0.00 H new ATOM 0 HH TYR A 26 -11.635 -8.486 -9.548 1.00 0.00 H new ATOM 363 N LYS A 27 -4.517 -13.007 -5.860 1.00 0.00 N ATOM 364 CA LYS A 27 -3.214 -13.274 -5.262 1.00 0.00 C ATOM 365 C LYS A 27 -2.090 -12.961 -6.245 1.00 0.00 C ATOM 366 O LYS A 27 -2.190 -13.221 -7.444 1.00 0.00 O ATOM 367 CB LYS A 27 -3.124 -14.736 -4.818 1.00 0.00 C ATOM 368 CG LYS A 27 -2.870 -15.704 -5.961 1.00 0.00 C ATOM 369 CD LYS A 27 -3.334 -17.109 -5.614 1.00 0.00 C ATOM 370 CE LYS A 27 -3.064 -18.082 -6.753 1.00 0.00 C ATOM 371 NZ LYS A 27 -3.002 -19.491 -6.275 1.00 0.00 N ATOM 0 H LYS A 27 -4.848 -13.736 -6.492 1.00 0.00 H new ATOM 0 HA LYS A 27 -3.102 -12.628 -4.391 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -2.324 -14.836 -4.084 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -4.052 -15.013 -4.318 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -3.390 -15.358 -6.854 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -1.806 -15.719 -6.197 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -2.823 -17.450 -4.714 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -4.401 -17.096 -5.390 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -3.848 -17.988 -7.505 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -2.123 -17.821 -7.238 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -2.817 -20.123 -7.080 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -2.238 -19.587 -5.576 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -3.908 -19.748 -5.835 1.00 0.00 H new ATOM 385 N PRO A 28 -0.992 -12.389 -5.727 1.00 0.00 N ATOM 386 CA PRO A 28 0.172 -12.030 -6.541 1.00 0.00 C ATOM 387 C PRO A 28 0.609 -13.165 -7.462 1.00 0.00 C ATOM 388 O PRO A 28 0.722 -14.320 -7.051 1.00 0.00 O ATOM 389 CB PRO A 28 1.256 -11.738 -5.501 1.00 0.00 C ATOM 390 CG PRO A 28 0.508 -11.328 -4.279 1.00 0.00 C ATOM 391 CD PRO A 28 -0.804 -12.050 -4.306 1.00 0.00 C ATOM 0 HA PRO A 28 -0.038 -11.191 -7.205 1.00 0.00 H new ATOM 0 HB2 PRO A 28 1.871 -12.618 -5.312 1.00 0.00 H new ATOM 0 HB3 PRO A 28 1.926 -10.948 -5.839 1.00 0.00 H new ATOM 0 HG2 PRO A 28 1.069 -11.582 -3.380 1.00 0.00 H new ATOM 0 HG3 PRO A 28 0.354 -10.249 -4.265 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -0.781 -12.943 -3.682 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -1.614 -11.422 -3.935 1.00 0.00 H new ATOM 399 N PRO A 29 0.861 -12.831 -8.736 1.00 0.00 N ATOM 400 CA PRO A 29 0.729 -11.459 -9.236 1.00 0.00 C ATOM 401 C PRO A 29 -0.724 -11.003 -9.301 1.00 0.00 C ATOM 402 O PRO A 29 -1.642 -11.824 -9.315 1.00 0.00 O ATOM 403 CB PRO A 29 1.330 -11.534 -10.642 1.00 0.00 C ATOM 404 CG PRO A 29 1.164 -12.958 -11.048 1.00 0.00 C ATOM 405 CD PRO A 29 1.294 -13.767 -9.787 1.00 0.00 C ATOM 0 HA PRO A 29 1.224 -10.739 -8.584 1.00 0.00 H new ATOM 0 HB2 PRO A 29 0.814 -10.863 -11.329 1.00 0.00 H new ATOM 0 HB3 PRO A 29 2.380 -11.243 -10.640 1.00 0.00 H new ATOM 0 HG2 PRO A 29 0.193 -13.119 -11.517 1.00 0.00 H new ATOM 0 HG3 PRO A 29 1.922 -13.247 -11.777 1.00 0.00 H new ATOM 0 HD2 PRO A 29 0.667 -14.658 -9.815 1.00 0.00 H new ATOM 0 HD3 PRO A 29 2.319 -14.103 -9.629 1.00 0.00 H new ATOM 413 N ILE A 30 -0.926 -9.690 -9.341 1.00 0.00 N ATOM 414 CA ILE A 30 -2.269 -9.126 -9.406 1.00 0.00 C ATOM 415 C ILE A 30 -2.614 -8.692 -10.827 1.00 0.00 C ATOM 416 O ILE A 30 -1.796 -8.084 -11.517 1.00 0.00 O ATOM 417 CB ILE A 30 -2.419 -7.919 -8.462 1.00 0.00 C ATOM 418 CG1 ILE A 30 -2.051 -8.314 -7.031 1.00 0.00 C ATOM 419 CG2 ILE A 30 -3.839 -7.375 -8.519 1.00 0.00 C ATOM 420 CD1 ILE A 30 -2.981 -9.345 -6.430 1.00 0.00 C ATOM 0 H ILE A 30 -0.177 -8.997 -9.330 1.00 0.00 H new ATOM 0 HA ILE A 30 -2.957 -9.911 -9.091 1.00 0.00 H new ATOM 0 HB ILE A 30 -1.737 -7.134 -8.789 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -1.034 -8.705 -7.021 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -2.056 -7.422 -6.404 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -3.929 -6.522 -7.846 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -4.067 -7.060 -9.537 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -4.539 -8.153 -8.214 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -2.659 -9.577 -5.415 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -3.997 -8.950 -6.408 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -2.958 -10.252 -7.034 1.00 0.00 H new ATOM 432 N SER A 31 -3.832 -9.007 -11.256 1.00 0.00 N ATOM 433 CA SER A 31 -4.285 -8.652 -12.596 1.00 0.00 C ATOM 434 C SER A 31 -3.990 -7.186 -12.898 1.00 0.00 C ATOM 435 O SER A 31 -4.406 -6.291 -12.161 1.00 0.00 O ATOM 436 CB SER A 31 -5.785 -8.922 -12.738 1.00 0.00 C ATOM 437 OG SER A 31 -6.052 -10.313 -12.769 1.00 0.00 O ATOM 0 H SER A 31 -4.522 -9.507 -10.696 1.00 0.00 H new ATOM 0 HA SER A 31 -3.742 -9.269 -13.312 1.00 0.00 H new ATOM 0 HB2 SER A 31 -6.320 -8.464 -11.906 1.00 0.00 H new ATOM 0 HB3 SER A 31 -6.157 -8.457 -13.651 1.00 0.00 H new ATOM 0 HG SER A 31 -7.017 -10.459 -12.858 1.00 0.00 H new ATOM 443 N LYS A 32 -3.269 -6.947 -13.988 1.00 0.00 N ATOM 444 CA LYS A 32 -2.917 -5.590 -14.392 1.00 0.00 C ATOM 445 C LYS A 32 -4.133 -4.671 -14.327 1.00 0.00 C ATOM 446 O LYS A 32 -4.019 -3.501 -13.962 1.00 0.00 O ATOM 447 CB LYS A 32 -2.340 -5.591 -15.809 1.00 0.00 C ATOM 448 CG LYS A 32 -0.834 -5.779 -15.853 1.00 0.00 C ATOM 449 CD LYS A 32 -0.103 -4.552 -15.335 1.00 0.00 C ATOM 450 CE LYS A 32 0.151 -3.545 -16.446 1.00 0.00 C ATOM 451 NZ LYS A 32 -0.980 -2.588 -16.596 1.00 0.00 N ATOM 0 H LYS A 32 -2.916 -7.676 -14.608 1.00 0.00 H new ATOM 0 HA LYS A 32 -2.163 -5.215 -13.700 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -2.814 -6.386 -16.384 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -2.594 -4.650 -16.296 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -0.557 -6.648 -15.255 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -0.522 -5.984 -16.877 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -0.690 -4.084 -14.545 1.00 0.00 H new ATOM 0 HD3 LYS A 32 0.846 -4.853 -14.891 1.00 0.00 H new ATOM 0 HE2 LYS A 32 1.067 -2.994 -16.234 1.00 0.00 H new ATOM 0 HE3 LYS A 32 0.307 -4.073 -17.387 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -0.617 -1.671 -16.926 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -1.661 -2.961 -17.288 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -1.453 -2.463 -15.678 1.00 0.00 H new ATOM 465 N ALA A 33 -5.295 -5.209 -14.681 1.00 0.00 N ATOM 466 CA ALA A 33 -6.532 -4.437 -14.660 1.00 0.00 C ATOM 467 C ALA A 33 -6.913 -4.051 -13.235 1.00 0.00 C ATOM 468 O ALA A 33 -7.523 -3.006 -13.005 1.00 0.00 O ATOM 469 CB ALA A 33 -7.657 -5.226 -15.313 1.00 0.00 C ATOM 0 H ALA A 33 -5.406 -6.176 -14.986 1.00 0.00 H new ATOM 0 HA ALA A 33 -6.369 -3.520 -15.226 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -8.575 -4.638 -15.290 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -7.393 -5.448 -16.347 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -7.810 -6.159 -14.770 1.00 0.00 H new ATOM 475 N LYS A 34 -6.550 -4.900 -12.279 1.00 0.00 N ATOM 476 CA LYS A 34 -6.852 -4.648 -10.875 1.00 0.00 C ATOM 477 C LYS A 34 -6.112 -3.412 -10.372 1.00 0.00 C ATOM 478 O LYS A 34 -6.731 -2.418 -9.993 1.00 0.00 O ATOM 479 CB LYS A 34 -6.475 -5.863 -10.025 1.00 0.00 C ATOM 480 CG LYS A 34 -6.596 -5.620 -8.530 1.00 0.00 C ATOM 481 CD LYS A 34 -8.036 -5.352 -8.124 1.00 0.00 C ATOM 482 CE LYS A 34 -8.114 -4.377 -6.959 1.00 0.00 C ATOM 483 NZ LYS A 34 -9.356 -3.556 -7.005 1.00 0.00 N ATOM 0 H LYS A 34 -6.046 -5.770 -12.452 1.00 0.00 H new ATOM 0 HA LYS A 34 -7.924 -4.469 -10.786 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -7.114 -6.702 -10.301 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -5.450 -6.154 -10.256 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -6.219 -6.487 -7.988 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -5.973 -4.772 -8.247 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -8.586 -4.949 -8.974 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -8.518 -6.290 -7.848 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -8.078 -4.929 -6.020 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -7.244 -3.721 -6.976 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -9.818 -3.573 -6.073 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -9.115 -2.575 -7.254 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -10.003 -3.946 -7.720 1.00 0.00 H new ATOM 497 N MET A 35 -4.785 -3.482 -10.374 1.00 0.00 N ATOM 498 CA MET A 35 -3.961 -2.367 -9.920 1.00 0.00 C ATOM 499 C MET A 35 -4.526 -1.038 -10.412 1.00 0.00 C ATOM 500 O MET A 35 -4.410 -0.014 -9.738 1.00 0.00 O ATOM 501 CB MET A 35 -2.522 -2.536 -10.411 1.00 0.00 C ATOM 502 CG MET A 35 -1.849 -3.798 -9.898 1.00 0.00 C ATOM 503 SD MET A 35 -2.344 -4.214 -8.215 1.00 0.00 S ATOM 504 CE MET A 35 -0.746 -4.439 -7.438 1.00 0.00 C ATOM 0 H MET A 35 -4.257 -4.298 -10.684 1.00 0.00 H new ATOM 0 HA MET A 35 -3.967 -2.363 -8.830 1.00 0.00 H new ATOM 0 HB2 MET A 35 -2.518 -2.549 -11.501 1.00 0.00 H new ATOM 0 HB3 MET A 35 -1.937 -1.670 -10.101 1.00 0.00 H new ATOM 0 HG2 MET A 35 -2.092 -4.629 -10.560 1.00 0.00 H new ATOM 0 HG3 MET A 35 -0.767 -3.668 -9.933 1.00 0.00 H new ATOM 0 HE1 MET A 35 -0.751 -5.361 -6.857 1.00 0.00 H new ATOM 0 HE2 MET A 35 0.026 -4.498 -8.205 1.00 0.00 H new ATOM 0 HE3 MET A 35 -0.540 -3.596 -6.779 1.00 0.00 H new ATOM 514 N THR A 36 -5.138 -1.061 -11.592 1.00 0.00 N ATOM 515 CA THR A 36 -5.719 0.142 -12.175 1.00 0.00 C ATOM 516 C THR A 36 -7.032 0.505 -11.491 1.00 0.00 C ATOM 517 O THR A 36 -7.323 1.681 -11.271 1.00 0.00 O ATOM 518 CB THR A 36 -5.971 -0.030 -13.685 1.00 0.00 C ATOM 519 OG1 THR A 36 -4.725 -0.054 -14.389 1.00 0.00 O ATOM 520 CG2 THR A 36 -6.840 1.098 -14.220 1.00 0.00 C ATOM 0 H THR A 36 -5.244 -1.900 -12.163 1.00 0.00 H new ATOM 0 HA THR A 36 -4.999 0.946 -12.024 1.00 0.00 H new ATOM 0 HB THR A 36 -6.493 -0.974 -13.839 1.00 0.00 H new ATOM 0 HG1 THR A 36 -4.893 -0.165 -15.348 1.00 0.00 H new ATOM 0 HG21 THR A 36 -7.004 0.955 -15.288 1.00 0.00 H new ATOM 0 HG22 THR A 36 -7.799 1.096 -13.702 1.00 0.00 H new ATOM 0 HG23 THR A 36 -6.340 2.052 -14.054 1.00 0.00 H new ATOM 528 N GLN A 37 -7.821 -0.511 -11.156 1.00 0.00 N ATOM 529 CA GLN A 37 -9.103 -0.298 -10.496 1.00 0.00 C ATOM 530 C GLN A 37 -8.927 0.505 -9.211 1.00 0.00 C ATOM 531 O GLN A 37 -9.787 1.308 -8.847 1.00 0.00 O ATOM 532 CB GLN A 37 -9.771 -1.638 -10.187 1.00 0.00 C ATOM 533 CG GLN A 37 -10.258 -2.376 -11.424 1.00 0.00 C ATOM 534 CD GLN A 37 -11.633 -1.921 -11.871 1.00 0.00 C ATOM 535 OE1 GLN A 37 -11.690 -0.769 -12.531 1.00 0.00 O flip ATOM 536 NE2 GLN A 37 -12.633 -2.596 -11.627 1.00 0.00 N flip ATOM 0 H GLN A 37 -7.594 -1.490 -11.331 1.00 0.00 H new ATOM 0 HA GLN A 37 -9.741 0.270 -11.173 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -9.064 -2.272 -9.651 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -10.616 -1.468 -9.520 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -9.547 -2.224 -12.236 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -10.283 -3.446 -11.218 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -12.543 -3.475 -11.117 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -13.551 -2.277 -11.935 1.00 0.00 H new ATOM 545 N ILE A 38 -7.810 0.281 -8.528 1.00 0.00 N ATOM 546 CA ILE A 38 -7.522 0.984 -7.284 1.00 0.00 C ATOM 547 C ILE A 38 -7.087 2.421 -7.552 1.00 0.00 C ATOM 548 O ILE A 38 -7.621 3.363 -6.966 1.00 0.00 O ATOM 549 CB ILE A 38 -6.423 0.270 -6.475 1.00 0.00 C ATOM 550 CG1 ILE A 38 -6.680 -1.238 -6.445 1.00 0.00 C ATOM 551 CG2 ILE A 38 -6.357 0.830 -5.062 1.00 0.00 C ATOM 552 CD1 ILE A 38 -5.720 -1.997 -5.557 1.00 0.00 C ATOM 0 H ILE A 38 -7.090 -0.382 -8.815 1.00 0.00 H new ATOM 0 HA ILE A 38 -8.445 0.988 -6.704 1.00 0.00 H new ATOM 0 HB ILE A 38 -5.463 0.446 -6.960 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -7.699 -1.418 -6.102 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -6.611 -1.630 -7.460 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -5.576 0.315 -4.503 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -6.132 1.896 -5.103 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -7.316 0.681 -4.566 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -5.962 -3.060 -5.584 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -4.700 -1.848 -5.912 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -5.805 -1.632 -4.533 1.00 0.00 H new ATOM 564 N THR A 39 -6.114 2.582 -8.444 1.00 0.00 N ATOM 565 CA THR A 39 -5.608 3.904 -8.792 1.00 0.00 C ATOM 566 C THR A 39 -6.745 4.850 -9.157 1.00 0.00 C ATOM 567 O THR A 39 -6.783 5.996 -8.707 1.00 0.00 O ATOM 568 CB THR A 39 -4.616 3.834 -9.968 1.00 0.00 C ATOM 569 OG1 THR A 39 -3.511 2.989 -9.628 1.00 0.00 O ATOM 570 CG2 THR A 39 -4.107 5.221 -10.330 1.00 0.00 C ATOM 0 H THR A 39 -5.661 1.813 -8.938 1.00 0.00 H new ATOM 0 HA THR A 39 -5.091 4.286 -7.912 1.00 0.00 H new ATOM 0 HB THR A 39 -5.138 3.419 -10.830 1.00 0.00 H new ATOM 0 HG1 THR A 39 -3.794 2.051 -9.661 1.00 0.00 H new ATOM 0 HG21 THR A 39 -3.408 5.146 -11.163 1.00 0.00 H new ATOM 0 HG22 THR A 39 -4.947 5.853 -10.617 1.00 0.00 H new ATOM 0 HG23 THR A 39 -3.601 5.659 -9.470 1.00 0.00 H new ATOM 578 N LYS A 40 -7.673 4.365 -9.975 1.00 0.00 N ATOM 579 CA LYS A 40 -8.815 5.167 -10.400 1.00 0.00 C ATOM 580 C LYS A 40 -9.583 5.700 -9.195 1.00 0.00 C ATOM 581 O LYS A 40 -10.111 6.812 -9.226 1.00 0.00 O ATOM 582 CB LYS A 40 -9.746 4.336 -11.286 1.00 0.00 C ATOM 583 CG LYS A 40 -9.053 3.721 -12.489 1.00 0.00 C ATOM 584 CD LYS A 40 -9.720 2.424 -12.914 1.00 0.00 C ATOM 585 CE LYS A 40 -10.761 2.662 -13.997 1.00 0.00 C ATOM 586 NZ LYS A 40 -11.392 1.390 -14.448 1.00 0.00 N ATOM 0 H LYS A 40 -7.657 3.420 -10.357 1.00 0.00 H new ATOM 0 HA LYS A 40 -8.440 6.015 -10.973 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -10.189 3.541 -10.687 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -10.564 4.968 -11.632 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -9.067 4.428 -13.319 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -8.007 3.532 -12.250 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -8.965 1.728 -13.280 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -10.192 1.956 -12.050 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -11.530 3.335 -13.620 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -10.293 3.157 -14.848 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -12.361 1.580 -14.774 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -10.837 0.985 -15.229 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -11.418 0.716 -13.656 1.00 0.00 H new ATOM 600 N ALA A 41 -9.642 4.901 -8.135 1.00 0.00 N ATOM 601 CA ALA A 41 -10.343 5.295 -6.919 1.00 0.00 C ATOM 602 C ALA A 41 -9.529 6.306 -6.119 1.00 0.00 C ATOM 603 O ALA A 41 -10.069 7.286 -5.608 1.00 0.00 O ATOM 604 CB ALA A 41 -10.652 4.072 -6.068 1.00 0.00 C ATOM 0 H ALA A 41 -9.213 3.977 -8.094 1.00 0.00 H new ATOM 0 HA ALA A 41 -11.281 5.770 -7.208 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -11.175 4.381 -5.163 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -11.280 3.384 -6.634 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -9.722 3.573 -5.796 1.00 0.00 H new ATOM 610 N ALA A 42 -8.227 6.061 -6.015 1.00 0.00 N ATOM 611 CA ALA A 42 -7.339 6.951 -5.278 1.00 0.00 C ATOM 612 C ALA A 42 -7.345 8.353 -5.877 1.00 0.00 C ATOM 613 O ALA A 42 -7.790 9.309 -5.240 1.00 0.00 O ATOM 614 CB ALA A 42 -5.925 6.389 -5.260 1.00 0.00 C ATOM 0 H ALA A 42 -7.764 5.253 -6.432 1.00 0.00 H new ATOM 0 HA ALA A 42 -7.704 7.021 -4.253 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -5.272 7.064 -4.706 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -5.928 5.411 -4.779 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -5.560 6.289 -6.282 1.00 0.00 H new ATOM 620 N ILE A 43 -6.850 8.469 -7.105 1.00 0.00 N ATOM 621 CA ILE A 43 -6.800 9.755 -7.790 1.00 0.00 C ATOM 622 C ILE A 43 -8.124 10.499 -7.659 1.00 0.00 C ATOM 623 O ILE A 43 -8.160 11.730 -7.659 1.00 0.00 O ATOM 624 CB ILE A 43 -6.465 9.584 -9.283 1.00 0.00 C ATOM 625 CG1 ILE A 43 -5.106 8.901 -9.449 1.00 0.00 C ATOM 626 CG2 ILE A 43 -6.474 10.934 -9.985 1.00 0.00 C ATOM 627 CD1 ILE A 43 -3.935 9.791 -9.095 1.00 0.00 C ATOM 0 H ILE A 43 -6.478 7.688 -7.646 1.00 0.00 H new ATOM 0 HA ILE A 43 -6.011 10.337 -7.313 1.00 0.00 H new ATOM 0 HB ILE A 43 -7.226 8.952 -9.741 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -5.077 8.010 -8.822 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -5.000 8.568 -10.481 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -6.235 10.797 -11.040 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -7.462 11.386 -9.892 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -5.731 11.587 -9.527 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -3.004 9.241 -9.236 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -3.938 10.670 -9.739 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -4.017 10.104 -8.054 1.00 0.00 H new ATOM 639 N LYS A 44 -9.212 9.745 -7.545 1.00 0.00 N ATOM 640 CA LYS A 44 -10.540 10.331 -7.410 1.00 0.00 C ATOM 641 C LYS A 44 -10.759 10.861 -5.997 1.00 0.00 C ATOM 642 O LYS A 44 -11.371 11.912 -5.806 1.00 0.00 O ATOM 643 CB LYS A 44 -11.614 9.296 -7.751 1.00 0.00 C ATOM 644 CG LYS A 44 -11.988 9.270 -9.223 1.00 0.00 C ATOM 645 CD LYS A 44 -13.029 10.328 -9.553 1.00 0.00 C ATOM 646 CE LYS A 44 -14.430 9.864 -9.186 1.00 0.00 C ATOM 647 NZ LYS A 44 -15.477 10.649 -9.897 1.00 0.00 N ATOM 0 H LYS A 44 -9.200 8.725 -7.543 1.00 0.00 H new ATOM 0 HA LYS A 44 -10.615 11.165 -8.108 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -11.261 8.308 -7.457 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -12.507 9.504 -7.161 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -11.097 9.434 -9.829 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -12.374 8.285 -9.484 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -12.797 11.248 -9.017 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -12.989 10.561 -10.617 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -14.539 8.808 -9.431 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -14.574 9.958 -8.110 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -16.418 10.303 -9.621 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -15.389 11.654 -9.644 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -15.356 10.539 -10.924 1.00 0.00 H new ATOM 661 N ALA A 45 -10.255 10.127 -5.010 1.00 0.00 N ATOM 662 CA ALA A 45 -10.394 10.526 -3.614 1.00 0.00 C ATOM 663 C ALA A 45 -9.254 11.446 -3.191 1.00 0.00 C ATOM 664 O ALA A 45 -8.990 11.614 -2.000 1.00 0.00 O ATOM 665 CB ALA A 45 -10.445 9.298 -2.718 1.00 0.00 C ATOM 0 H ALA A 45 -9.747 9.254 -5.151 1.00 0.00 H new ATOM 0 HA ALA A 45 -11.328 11.077 -3.509 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -10.549 9.610 -1.679 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -11.297 8.679 -2.998 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -9.526 8.724 -2.834 1.00 0.00 H new ATOM 671 N ILE A 46 -8.581 12.038 -4.172 1.00 0.00 N ATOM 672 CA ILE A 46 -7.470 12.941 -3.899 1.00 0.00 C ATOM 673 C ILE A 46 -7.843 13.965 -2.833 1.00 0.00 C ATOM 674 O ILE A 46 -7.082 14.207 -1.895 1.00 0.00 O ATOM 675 CB ILE A 46 -7.022 13.682 -5.173 1.00 0.00 C ATOM 676 CG1 ILE A 46 -5.558 14.111 -5.051 1.00 0.00 C ATOM 677 CG2 ILE A 46 -7.914 14.889 -5.425 1.00 0.00 C ATOM 678 CD1 ILE A 46 -4.849 14.224 -6.383 1.00 0.00 C ATOM 0 H ILE A 46 -8.786 11.908 -5.163 1.00 0.00 H new ATOM 0 HA ILE A 46 -6.646 12.327 -3.536 1.00 0.00 H new ATOM 0 HB ILE A 46 -7.113 13.004 -6.021 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -5.511 15.073 -4.541 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -5.028 13.392 -4.426 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -7.585 15.402 -6.329 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -8.945 14.559 -5.550 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -7.851 15.571 -4.577 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -3.816 14.532 -6.220 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -4.865 13.257 -6.887 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -5.355 14.964 -7.003 1.00 0.00 H new ATOM 690 N LYS A 47 -9.020 14.564 -2.981 1.00 0.00 N ATOM 691 CA LYS A 47 -9.497 15.560 -2.030 1.00 0.00 C ATOM 692 C LYS A 47 -9.339 15.063 -0.596 1.00 0.00 C ATOM 693 O LYS A 47 -9.065 15.845 0.315 1.00 0.00 O ATOM 694 CB LYS A 47 -10.965 15.896 -2.305 1.00 0.00 C ATOM 695 CG LYS A 47 -11.878 14.682 -2.301 1.00 0.00 C ATOM 696 CD LYS A 47 -13.114 14.912 -3.154 1.00 0.00 C ATOM 697 CE LYS A 47 -13.917 13.632 -3.327 1.00 0.00 C ATOM 698 NZ LYS A 47 -14.932 13.756 -4.410 1.00 0.00 N ATOM 0 H LYS A 47 -9.661 14.376 -3.752 1.00 0.00 H new ATOM 0 HA LYS A 47 -8.895 16.460 -2.153 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -11.314 16.605 -1.554 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -11.040 16.394 -3.272 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -11.333 13.815 -2.674 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -12.178 14.454 -1.278 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -13.740 15.676 -2.692 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -12.817 15.292 -4.132 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -13.241 12.808 -3.555 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -14.415 13.386 -2.389 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -15.458 12.863 -4.497 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -15.592 14.526 -4.181 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -14.455 13.965 -5.310 1.00 0.00 H new ATOM 712 N PHE A 48 -9.510 13.760 -0.404 1.00 0.00 N ATOM 713 CA PHE A 48 -9.386 13.159 0.919 1.00 0.00 C ATOM 714 C PHE A 48 -8.274 12.114 0.939 1.00 0.00 C ATOM 715 O PHE A 48 -8.248 11.237 1.803 1.00 0.00 O ATOM 716 CB PHE A 48 -10.711 12.519 1.339 1.00 0.00 C ATOM 717 CG PHE A 48 -11.915 13.334 0.963 1.00 0.00 C ATOM 718 CD1 PHE A 48 -11.880 14.718 1.027 1.00 0.00 C ATOM 719 CD2 PHE A 48 -13.083 12.716 0.545 1.00 0.00 C ATOM 720 CE1 PHE A 48 -12.987 15.470 0.683 1.00 0.00 C ATOM 721 CE2 PHE A 48 -14.193 13.463 0.198 1.00 0.00 C ATOM 722 CZ PHE A 48 -14.145 14.842 0.267 1.00 0.00 C ATOM 0 H PHE A 48 -9.735 13.099 -1.148 1.00 0.00 H new ATOM 0 HA PHE A 48 -9.132 13.948 1.627 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -10.791 11.534 0.880 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -10.707 12.368 2.419 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -10.977 15.215 1.350 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -13.126 11.638 0.490 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -12.947 16.548 0.739 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -15.097 12.969 -0.127 1.00 0.00 H new ATOM 0 HZ PHE A 48 -15.011 15.428 -0.004 1.00 0.00 H new ATOM 732 N TYR A 49 -7.360 12.213 -0.019 1.00 0.00 N ATOM 733 CA TYR A 49 -6.248 11.275 -0.114 1.00 0.00 C ATOM 734 C TYR A 49 -5.638 11.012 1.259 1.00 0.00 C ATOM 735 O TYR A 49 -5.199 9.900 1.555 1.00 0.00 O ATOM 736 CB TYR A 49 -5.178 11.815 -1.065 1.00 0.00 C ATOM 737 CG TYR A 49 -4.113 12.637 -0.374 1.00 0.00 C ATOM 738 CD1 TYR A 49 -4.347 13.963 -0.029 1.00 0.00 C ATOM 739 CD2 TYR A 49 -2.874 12.089 -0.068 1.00 0.00 C ATOM 740 CE1 TYR A 49 -3.377 14.718 0.601 1.00 0.00 C ATOM 741 CE2 TYR A 49 -1.899 12.836 0.563 1.00 0.00 C ATOM 742 CZ TYR A 49 -2.155 14.150 0.896 1.00 0.00 C ATOM 743 OH TYR A 49 -1.186 14.899 1.523 1.00 0.00 O ATOM 0 H TYR A 49 -7.367 12.933 -0.741 1.00 0.00 H new ATOM 0 HA TYR A 49 -6.632 10.334 -0.507 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -4.704 10.978 -1.578 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -5.658 12.426 -1.829 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -5.303 14.410 -0.257 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -2.670 11.061 -0.328 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -3.574 15.747 0.861 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -0.941 12.394 0.795 1.00 0.00 H new ATOM 0 HH TYR A 49 -1.611 15.572 2.094 1.00 0.00 H new ATOM 753 N LYS A 50 -5.614 12.044 2.096 1.00 0.00 N ATOM 754 CA LYS A 50 -5.060 11.928 3.440 1.00 0.00 C ATOM 755 C LYS A 50 -5.417 10.580 4.060 1.00 0.00 C ATOM 756 O LYS A 50 -4.704 10.077 4.929 1.00 0.00 O ATOM 757 CB LYS A 50 -5.577 13.062 4.327 1.00 0.00 C ATOM 758 CG LYS A 50 -5.384 14.443 3.722 1.00 0.00 C ATOM 759 CD LYS A 50 -6.663 14.955 3.083 1.00 0.00 C ATOM 760 CE LYS A 50 -6.380 16.056 2.073 1.00 0.00 C ATOM 761 NZ LYS A 50 -6.408 17.406 2.700 1.00 0.00 N ATOM 0 H LYS A 50 -5.972 12.971 1.867 1.00 0.00 H new ATOM 0 HA LYS A 50 -3.975 11.999 3.366 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -6.638 12.905 4.522 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -5.066 13.021 5.289 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -5.059 15.138 4.496 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -4.592 14.406 2.974 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -7.179 14.131 2.590 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -7.331 15.333 3.857 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -5.404 15.888 1.617 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -7.118 16.012 1.272 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -6.210 18.128 1.978 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -7.347 17.577 3.113 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -5.686 17.457 3.447 1.00 0.00 H new ATOM 775 N HIS A 51 -6.524 10.001 3.608 1.00 0.00 N ATOM 776 CA HIS A 51 -6.974 8.710 4.118 1.00 0.00 C ATOM 777 C HIS A 51 -6.410 7.568 3.279 1.00 0.00 C ATOM 778 O HIS A 51 -5.875 6.597 3.814 1.00 0.00 O ATOM 779 CB HIS A 51 -8.502 8.646 4.126 1.00 0.00 C ATOM 780 CG HIS A 51 -9.116 9.149 5.397 1.00 0.00 C ATOM 781 ND1 HIS A 51 -9.993 8.403 6.155 1.00 0.00 N ATOM 782 CD2 HIS A 51 -8.972 10.329 6.043 1.00 0.00 C ATOM 783 CE1 HIS A 51 -10.365 9.104 7.211 1.00 0.00 C ATOM 784 NE2 HIS A 51 -9.759 10.277 7.167 1.00 0.00 N ATOM 0 H HIS A 51 -7.126 10.404 2.890 1.00 0.00 H new ATOM 0 HA HIS A 51 -6.608 8.603 5.139 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -8.886 9.231 3.290 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -8.815 7.615 3.964 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -8.353 11.158 5.732 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -11.048 8.774 7.980 1.00 0.00 H new ATOM 0 HE2 HIS A 51 -9.859 11.023 7.856 1.00 0.00 H new ATOM 792 N VAL A 52 -6.534 7.690 1.961 1.00 0.00 N ATOM 793 CA VAL A 52 -6.036 6.668 1.048 1.00 0.00 C ATOM 794 C VAL A 52 -4.611 6.262 1.403 1.00 0.00 C ATOM 795 O VAL A 52 -4.356 5.119 1.783 1.00 0.00 O ATOM 796 CB VAL A 52 -6.071 7.156 -0.413 1.00 0.00 C ATOM 797 CG1 VAL A 52 -5.146 6.314 -1.279 1.00 0.00 C ATOM 798 CG2 VAL A 52 -7.493 7.125 -0.951 1.00 0.00 C ATOM 0 H VAL A 52 -6.975 8.487 1.502 1.00 0.00 H new ATOM 0 HA VAL A 52 -6.693 5.804 1.150 1.00 0.00 H new ATOM 0 HB VAL A 52 -5.719 8.187 -0.442 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -5.184 6.673 -2.307 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -4.125 6.392 -0.904 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -5.465 5.272 -1.246 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -7.499 7.473 -1.984 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -7.876 6.105 -0.909 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -8.125 7.775 -0.346 1.00 0.00 H new ATOM 808 N VAL A 53 -3.683 7.205 1.277 1.00 0.00 N ATOM 809 CA VAL A 53 -2.282 6.946 1.586 1.00 0.00 C ATOM 810 C VAL A 53 -2.146 6.062 2.820 1.00 0.00 C ATOM 811 O VAL A 53 -1.476 5.030 2.785 1.00 0.00 O ATOM 812 CB VAL A 53 -1.507 8.257 1.819 1.00 0.00 C ATOM 813 CG1 VAL A 53 -0.106 7.964 2.334 1.00 0.00 C ATOM 814 CG2 VAL A 53 -1.454 9.079 0.540 1.00 0.00 C ATOM 0 H VAL A 53 -3.876 8.156 0.963 1.00 0.00 H new ATOM 0 HA VAL A 53 -1.858 6.430 0.725 1.00 0.00 H new ATOM 0 HB VAL A 53 -2.032 8.840 2.576 1.00 0.00 H new ATOM 0 HG11 VAL A 53 0.427 8.902 2.493 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -0.171 7.420 3.276 1.00 0.00 H new ATOM 0 HG13 VAL A 53 0.432 7.361 1.603 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -0.903 10.001 0.723 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -0.953 8.506 -0.240 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -2.468 9.319 0.220 1.00 0.00 H new ATOM 824 N GLN A 54 -2.786 6.473 3.910 1.00 0.00 N ATOM 825 CA GLN A 54 -2.736 5.717 5.156 1.00 0.00 C ATOM 826 C GLN A 54 -3.144 4.265 4.928 1.00 0.00 C ATOM 827 O GLN A 54 -2.377 3.344 5.206 1.00 0.00 O ATOM 828 CB GLN A 54 -3.649 6.358 6.202 1.00 0.00 C ATOM 829 CG GLN A 54 -3.538 5.721 7.578 1.00 0.00 C ATOM 830 CD GLN A 54 -4.468 6.357 8.593 1.00 0.00 C ATOM 831 OE1 GLN A 54 -5.580 6.768 8.260 1.00 0.00 O ATOM 832 NE2 GLN A 54 -4.017 6.440 9.839 1.00 0.00 N ATOM 0 H GLN A 54 -3.345 7.325 3.956 1.00 0.00 H new ATOM 0 HA GLN A 54 -1.709 5.733 5.521 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -3.409 7.418 6.281 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -4.682 6.290 5.861 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -3.763 4.657 7.501 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -2.510 5.804 7.931 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -3.089 6.086 10.070 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -4.599 6.857 10.565 1.00 0.00 H new ATOM 841 N SER A 55 -4.358 4.069 4.422 1.00 0.00 N ATOM 842 CA SER A 55 -4.870 2.729 4.161 1.00 0.00 C ATOM 843 C SER A 55 -3.855 1.903 3.376 1.00 0.00 C ATOM 844 O SER A 55 -3.684 0.709 3.624 1.00 0.00 O ATOM 845 CB SER A 55 -6.188 2.805 3.390 1.00 0.00 C ATOM 846 OG SER A 55 -7.283 2.997 4.269 1.00 0.00 O ATOM 0 H SER A 55 -5.005 4.821 4.185 1.00 0.00 H new ATOM 0 HA SER A 55 -5.046 2.241 5.120 1.00 0.00 H new ATOM 0 HB2 SER A 55 -6.146 3.624 2.672 1.00 0.00 H new ATOM 0 HB3 SER A 55 -6.332 1.888 2.819 1.00 0.00 H new ATOM 0 HG SER A 55 -8.114 3.044 3.751 1.00 0.00 H new ATOM 852 N VAL A 56 -3.184 2.548 2.427 1.00 0.00 N ATOM 853 CA VAL A 56 -2.185 1.875 1.605 1.00 0.00 C ATOM 854 C VAL A 56 -0.994 1.427 2.445 1.00 0.00 C ATOM 855 O VAL A 56 -0.350 0.424 2.140 1.00 0.00 O ATOM 856 CB VAL A 56 -1.685 2.788 0.470 1.00 0.00 C ATOM 857 CG1 VAL A 56 -0.516 2.142 -0.259 1.00 0.00 C ATOM 858 CG2 VAL A 56 -2.817 3.105 -0.496 1.00 0.00 C ATOM 0 H VAL A 56 -3.314 3.536 2.208 1.00 0.00 H new ATOM 0 HA VAL A 56 -2.669 1.000 1.171 1.00 0.00 H new ATOM 0 HB VAL A 56 -1.337 3.724 0.906 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -0.176 2.801 -1.058 1.00 0.00 H new ATOM 0 HG12 VAL A 56 0.300 1.971 0.443 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -0.834 1.190 -0.685 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -2.446 3.751 -1.292 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -3.197 2.179 -0.928 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -3.620 3.612 0.039 1.00 0.00 H new ATOM 868 N GLU A 57 -0.706 2.179 3.503 1.00 0.00 N ATOM 869 CA GLU A 57 0.409 1.859 4.386 1.00 0.00 C ATOM 870 C GLU A 57 0.020 0.767 5.378 1.00 0.00 C ATOM 871 O GLU A 57 0.859 -0.027 5.805 1.00 0.00 O ATOM 872 CB GLU A 57 0.866 3.109 5.141 1.00 0.00 C ATOM 873 CG GLU A 57 1.416 4.199 4.236 1.00 0.00 C ATOM 874 CD GLU A 57 1.760 5.467 4.993 1.00 0.00 C ATOM 875 OE1 GLU A 57 1.139 5.715 6.047 1.00 0.00 O ATOM 876 OE2 GLU A 57 2.651 6.211 4.532 1.00 0.00 O ATOM 0 H GLU A 57 -1.229 3.013 3.769 1.00 0.00 H new ATOM 0 HA GLU A 57 1.232 1.493 3.772 1.00 0.00 H new ATOM 0 HB2 GLU A 57 0.025 3.509 5.708 1.00 0.00 H new ATOM 0 HB3 GLU A 57 1.632 2.827 5.863 1.00 0.00 H new ATOM 0 HG2 GLU A 57 2.308 3.830 3.729 1.00 0.00 H new ATOM 0 HG3 GLU A 57 0.682 4.429 3.463 1.00 0.00 H new ATOM 883 N LYS A 58 -1.257 0.733 5.742 1.00 0.00 N ATOM 884 CA LYS A 58 -1.759 -0.261 6.683 1.00 0.00 C ATOM 885 C LYS A 58 -1.962 -1.608 5.996 1.00 0.00 C ATOM 886 O LYS A 58 -1.360 -2.610 6.381 1.00 0.00 O ATOM 887 CB LYS A 58 -3.077 0.211 7.302 1.00 0.00 C ATOM 888 CG LYS A 58 -3.014 1.621 7.864 1.00 0.00 C ATOM 889 CD LYS A 58 -2.201 1.674 9.147 1.00 0.00 C ATOM 890 CE LYS A 58 -2.123 3.088 9.699 1.00 0.00 C ATOM 891 NZ LYS A 58 -3.269 3.397 10.599 1.00 0.00 N ATOM 0 H LYS A 58 -1.964 1.383 5.399 1.00 0.00 H new ATOM 0 HA LYS A 58 -1.017 -0.383 7.472 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -3.861 0.165 6.546 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -3.361 -0.476 8.099 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -2.572 2.289 7.125 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -4.024 1.982 8.057 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -2.650 1.016 9.891 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -1.195 1.300 8.957 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -1.188 3.213 10.245 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -2.108 3.800 8.874 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -3.127 4.331 11.034 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -4.151 3.402 10.048 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -3.330 2.674 11.344 1.00 0.00 H new ATOM 905 N PHE A 59 -2.813 -1.623 4.974 1.00 0.00 N ATOM 906 CA PHE A 59 -3.094 -2.847 4.233 1.00 0.00 C ATOM 907 C PHE A 59 -1.816 -3.645 3.994 1.00 0.00 C ATOM 908 O PHE A 59 -1.842 -4.874 3.932 1.00 0.00 O ATOM 909 CB PHE A 59 -3.759 -2.515 2.895 1.00 0.00 C ATOM 910 CG PHE A 59 -3.635 -3.612 1.876 1.00 0.00 C ATOM 911 CD1 PHE A 59 -4.588 -4.616 1.800 1.00 0.00 C ATOM 912 CD2 PHE A 59 -2.567 -3.639 0.994 1.00 0.00 C ATOM 913 CE1 PHE A 59 -4.475 -5.626 0.864 1.00 0.00 C ATOM 914 CE2 PHE A 59 -2.450 -4.647 0.056 1.00 0.00 C ATOM 915 CZ PHE A 59 -3.406 -5.641 -0.010 1.00 0.00 C ATOM 0 H PHE A 59 -3.319 -0.802 4.641 1.00 0.00 H new ATOM 0 HA PHE A 59 -3.774 -3.455 4.829 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -4.815 -2.306 3.065 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -3.314 -1.605 2.493 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -5.427 -4.609 2.479 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -1.817 -2.863 1.040 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -5.223 -6.404 0.816 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -1.612 -4.657 -0.625 1.00 0.00 H new ATOM 0 HZ PHE A 59 -3.318 -6.429 -0.744 1.00 0.00 H new ATOM 925 N ILE A 60 -0.700 -2.936 3.860 1.00 0.00 N ATOM 926 CA ILE A 60 0.588 -3.578 3.629 1.00 0.00 C ATOM 927 C ILE A 60 1.045 -4.354 4.860 1.00 0.00 C ATOM 928 O ILE A 60 1.589 -5.452 4.746 1.00 0.00 O ATOM 929 CB ILE A 60 1.671 -2.548 3.255 1.00 0.00 C ATOM 930 CG1 ILE A 60 1.481 -2.078 1.812 1.00 0.00 C ATOM 931 CG2 ILE A 60 3.058 -3.145 3.445 1.00 0.00 C ATOM 932 CD1 ILE A 60 2.415 -0.956 1.414 1.00 0.00 C ATOM 0 H ILE A 60 -0.662 -1.918 3.907 1.00 0.00 H new ATOM 0 HA ILE A 60 0.451 -4.269 2.797 1.00 0.00 H new ATOM 0 HB ILE A 60 1.575 -1.685 3.914 1.00 0.00 H new ATOM 0 HG12 ILE A 60 1.634 -2.923 1.140 1.00 0.00 H new ATOM 0 HG13 ILE A 60 0.451 -1.747 1.679 1.00 0.00 H new ATOM 0 HG21 ILE A 60 3.812 -2.405 3.177 1.00 0.00 H new ATOM 0 HG22 ILE A 60 3.189 -3.436 4.487 1.00 0.00 H new ATOM 0 HG23 ILE A 60 3.167 -4.022 2.807 1.00 0.00 H new ATOM 0 HD11 ILE A 60 2.224 -0.674 0.379 1.00 0.00 H new ATOM 0 HD12 ILE A 60 2.247 -0.096 2.062 1.00 0.00 H new ATOM 0 HD13 ILE A 60 3.448 -1.289 1.515 1.00 0.00 H new ATOM 944 N GLN A 61 0.818 -3.776 6.035 1.00 0.00 N ATOM 945 CA GLN A 61 1.205 -4.415 7.287 1.00 0.00 C ATOM 946 C GLN A 61 0.190 -5.479 7.692 1.00 0.00 C ATOM 947 O GLN A 61 0.473 -6.336 8.529 1.00 0.00 O ATOM 948 CB GLN A 61 1.337 -3.371 8.397 1.00 0.00 C ATOM 949 CG GLN A 61 0.002 -2.867 8.921 1.00 0.00 C ATOM 950 CD GLN A 61 0.091 -2.350 10.343 1.00 0.00 C ATOM 951 OE1 GLN A 61 -0.390 -2.989 11.279 1.00 0.00 O ATOM 952 NE2 GLN A 61 0.708 -1.186 10.513 1.00 0.00 N ATOM 0 H GLN A 61 0.368 -2.867 6.146 1.00 0.00 H new ATOM 0 HA GLN A 61 2.170 -4.899 7.136 1.00 0.00 H new ATOM 0 HB2 GLN A 61 1.903 -3.801 9.223 1.00 0.00 H new ATOM 0 HB3 GLN A 61 1.913 -2.525 8.022 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -0.362 -2.071 8.271 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -0.729 -3.674 8.877 1.00 0.00 H new ATOM 0 HE21 GLN A 61 1.092 -0.690 9.709 1.00 0.00 H new ATOM 0 HE22 GLN A 61 0.798 -0.788 11.448 1.00 0.00 H new ATOM 961 N LYS A 62 -0.995 -5.417 7.094 1.00 0.00 N ATOM 962 CA LYS A 62 -2.053 -6.375 7.390 1.00 0.00 C ATOM 963 C LYS A 62 -2.039 -7.528 6.392 1.00 0.00 C ATOM 964 O LYS A 62 -2.352 -8.667 6.740 1.00 0.00 O ATOM 965 CB LYS A 62 -3.418 -5.683 7.367 1.00 0.00 C ATOM 966 CG LYS A 62 -3.421 -4.323 8.044 1.00 0.00 C ATOM 967 CD LYS A 62 -3.578 -4.451 9.550 1.00 0.00 C ATOM 968 CE LYS A 62 -5.043 -4.456 9.960 1.00 0.00 C ATOM 969 NZ LYS A 62 -5.207 -4.328 11.435 1.00 0.00 N ATOM 0 H LYS A 62 -1.247 -4.712 6.401 1.00 0.00 H new ATOM 0 HA LYS A 62 -1.874 -6.779 8.387 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -3.739 -5.565 6.332 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -4.150 -6.325 7.857 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -2.492 -3.800 7.817 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -4.233 -3.717 7.643 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -3.101 -5.370 9.890 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -3.064 -3.625 10.042 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -5.562 -3.635 9.464 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -5.512 -5.380 9.621 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -6.219 -4.335 11.674 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -4.734 -5.125 11.907 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -4.782 -3.434 11.755 1.00 0.00 H new ATOM 983 N CYS A 63 -1.673 -7.226 5.151 1.00 0.00 N ATOM 984 CA CYS A 63 -1.617 -8.237 4.102 1.00 0.00 C ATOM 985 C CYS A 63 -0.691 -9.382 4.499 1.00 0.00 C ATOM 986 O CYS A 63 -0.174 -9.418 5.616 1.00 0.00 O ATOM 987 CB CYS A 63 -1.143 -7.614 2.788 1.00 0.00 C ATOM 988 SG CYS A 63 0.645 -7.366 2.692 1.00 0.00 S ATOM 0 H CYS A 63 -1.411 -6.288 4.847 1.00 0.00 H new ATOM 0 HA CYS A 63 -2.621 -8.637 3.964 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -1.455 -8.253 1.962 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -1.640 -6.653 2.654 1.00 0.00 H new ATOM 0 HG CYS A 63 1.065 -6.806 3.787 1.00 0.00 H new ATOM 994 N LYS A 64 -0.487 -10.318 3.578 1.00 0.00 N ATOM 995 CA LYS A 64 0.377 -11.465 3.831 1.00 0.00 C ATOM 996 C LYS A 64 1.760 -11.249 3.226 1.00 0.00 C ATOM 997 O LYS A 64 1.944 -10.453 2.305 1.00 0.00 O ATOM 998 CB LYS A 64 -0.250 -12.738 3.256 1.00 0.00 C ATOM 999 CG LYS A 64 -1.654 -13.009 3.768 1.00 0.00 C ATOM 1000 CD LYS A 64 -2.707 -12.388 2.866 1.00 0.00 C ATOM 1001 CE LYS A 64 -4.085 -12.427 3.508 1.00 0.00 C ATOM 1002 NZ LYS A 64 -4.026 -12.131 4.966 1.00 0.00 N ATOM 0 H LYS A 64 -0.909 -10.305 2.649 1.00 0.00 H new ATOM 0 HA LYS A 64 0.486 -11.575 4.910 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -0.277 -12.661 2.169 1.00 0.00 H new ATOM 0 HB3 LYS A 64 0.387 -13.589 3.499 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -1.817 -14.085 3.832 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -1.757 -12.610 4.777 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -2.436 -11.355 2.646 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -2.732 -12.920 1.915 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -4.735 -11.703 3.017 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -4.529 -13.410 3.355 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -4.970 -11.851 5.302 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -3.713 -12.979 5.480 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -3.354 -11.356 5.136 1.00 0.00 H new ATOM 1016 N PRO A 65 2.757 -11.975 3.752 1.00 0.00 N ATOM 1017 CA PRO A 65 4.141 -11.882 3.277 1.00 0.00 C ATOM 1018 C PRO A 65 4.239 -11.960 1.758 1.00 0.00 C ATOM 1019 O PRO A 65 5.244 -11.561 1.170 1.00 0.00 O ATOM 1020 CB PRO A 65 4.820 -13.094 3.920 1.00 0.00 C ATOM 1021 CG PRO A 65 4.016 -13.373 5.143 1.00 0.00 C ATOM 1022 CD PRO A 65 2.611 -12.944 4.852 1.00 0.00 C ATOM 0 HA PRO A 65 4.599 -10.929 3.543 1.00 0.00 H new ATOM 0 HB2 PRO A 65 4.824 -13.950 3.245 1.00 0.00 H new ATOM 0 HB3 PRO A 65 5.859 -12.880 4.170 1.00 0.00 H new ATOM 0 HG2 PRO A 65 4.051 -14.433 5.394 1.00 0.00 H new ATOM 0 HG3 PRO A 65 4.415 -12.829 5.999 1.00 0.00 H new ATOM 0 HD2 PRO A 65 1.988 -13.789 4.560 1.00 0.00 H new ATOM 0 HD3 PRO A 65 2.143 -12.490 5.725 1.00 0.00 H new ATOM 1030 N GLU A 66 3.189 -12.477 1.128 1.00 0.00 N ATOM 1031 CA GLU A 66 3.158 -12.608 -0.325 1.00 0.00 C ATOM 1032 C GLU A 66 2.606 -11.341 -0.973 1.00 0.00 C ATOM 1033 O GLU A 66 2.955 -11.008 -2.106 1.00 0.00 O ATOM 1034 CB GLU A 66 2.310 -13.814 -0.733 1.00 0.00 C ATOM 1035 CG GLU A 66 0.816 -13.593 -0.565 1.00 0.00 C ATOM 1036 CD GLU A 66 0.004 -14.836 -0.875 1.00 0.00 C ATOM 1037 OE1 GLU A 66 0.458 -15.944 -0.523 1.00 0.00 O ATOM 1038 OE2 GLU A 66 -1.086 -14.698 -1.470 1.00 0.00 O ATOM 0 H GLU A 66 2.349 -12.812 1.600 1.00 0.00 H new ATOM 0 HA GLU A 66 4.180 -12.758 -0.673 1.00 0.00 H new ATOM 0 HB2 GLU A 66 2.518 -14.058 -1.775 1.00 0.00 H new ATOM 0 HB3 GLU A 66 2.610 -14.677 -0.138 1.00 0.00 H new ATOM 0 HG2 GLU A 66 0.612 -13.276 0.458 1.00 0.00 H new ATOM 0 HG3 GLU A 66 0.497 -12.782 -1.220 1.00 0.00 H new ATOM 1045 N TYR A 67 1.741 -10.641 -0.248 1.00 0.00 N ATOM 1046 CA TYR A 67 1.138 -9.414 -0.752 1.00 0.00 C ATOM 1047 C TYR A 67 2.021 -8.207 -0.449 1.00 0.00 C ATOM 1048 O TYR A 67 1.543 -7.075 -0.376 1.00 0.00 O ATOM 1049 CB TYR A 67 -0.249 -9.212 -0.138 1.00 0.00 C ATOM 1050 CG TYR A 67 -1.319 -10.078 -0.763 1.00 0.00 C ATOM 1051 CD1 TYR A 67 -1.590 -11.347 -0.267 1.00 0.00 C ATOM 1052 CD2 TYR A 67 -2.059 -9.627 -1.849 1.00 0.00 C ATOM 1053 CE1 TYR A 67 -2.567 -12.143 -0.835 1.00 0.00 C ATOM 1054 CE2 TYR A 67 -3.039 -10.415 -2.422 1.00 0.00 C ATOM 1055 CZ TYR A 67 -3.289 -11.671 -1.912 1.00 0.00 C ATOM 1056 OH TYR A 67 -4.263 -12.460 -2.481 1.00 0.00 O ATOM 0 H TYR A 67 1.442 -10.903 0.691 1.00 0.00 H new ATOM 0 HA TYR A 67 1.040 -9.507 -1.834 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -0.199 -9.425 0.930 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -0.534 -8.165 -0.242 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -1.028 -11.718 0.577 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -1.865 -8.644 -2.252 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -2.764 -13.128 -0.438 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -3.606 -10.049 -3.265 1.00 0.00 H new ATOM 0 HH TYR A 67 -4.721 -11.957 -3.186 1.00 0.00 H new ATOM 1066 N LYS A 68 3.314 -8.459 -0.273 1.00 0.00 N ATOM 1067 CA LYS A 68 4.267 -7.395 0.021 1.00 0.00 C ATOM 1068 C LYS A 68 4.705 -6.688 -1.258 1.00 0.00 C ATOM 1069 O LYS A 68 5.155 -5.543 -1.222 1.00 0.00 O ATOM 1070 CB LYS A 68 5.489 -7.964 0.746 1.00 0.00 C ATOM 1071 CG LYS A 68 5.156 -8.632 2.068 1.00 0.00 C ATOM 1072 CD LYS A 68 4.251 -7.759 2.922 1.00 0.00 C ATOM 1073 CE LYS A 68 4.233 -8.223 4.370 1.00 0.00 C ATOM 1074 NZ LYS A 68 3.299 -7.413 5.201 1.00 0.00 N ATOM 0 H LYS A 68 3.726 -9.391 -0.329 1.00 0.00 H new ATOM 0 HA LYS A 68 3.775 -6.668 0.667 1.00 0.00 H new ATOM 0 HB2 LYS A 68 5.981 -8.688 0.097 1.00 0.00 H new ATOM 0 HB3 LYS A 68 6.202 -7.159 0.925 1.00 0.00 H new ATOM 0 HG2 LYS A 68 4.669 -9.589 1.881 1.00 0.00 H new ATOM 0 HG3 LYS A 68 6.077 -8.844 2.611 1.00 0.00 H new ATOM 0 HD2 LYS A 68 4.591 -6.725 2.875 1.00 0.00 H new ATOM 0 HD3 LYS A 68 3.238 -7.780 2.520 1.00 0.00 H new ATOM 0 HE2 LYS A 68 3.939 -9.272 4.412 1.00 0.00 H new ATOM 0 HE3 LYS A 68 5.239 -8.157 4.785 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 3.831 -6.939 5.959 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 2.834 -6.699 4.605 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 2.579 -8.035 5.621 1.00 0.00 H new ATOM 1088 N VAL A 69 4.568 -7.377 -2.386 1.00 0.00 N ATOM 1089 CA VAL A 69 4.947 -6.814 -3.676 1.00 0.00 C ATOM 1090 C VAL A 69 3.845 -5.917 -4.229 1.00 0.00 C ATOM 1091 O VAL A 69 4.083 -4.781 -4.640 1.00 0.00 O ATOM 1092 CB VAL A 69 5.257 -7.920 -4.702 1.00 0.00 C ATOM 1093 CG1 VAL A 69 4.839 -7.486 -6.099 1.00 0.00 C ATOM 1094 CG2 VAL A 69 6.734 -8.280 -4.667 1.00 0.00 C ATOM 0 H VAL A 69 4.197 -8.326 -2.433 1.00 0.00 H new ATOM 0 HA VAL A 69 5.846 -6.220 -3.510 1.00 0.00 H new ATOM 0 HB VAL A 69 4.683 -8.808 -4.437 1.00 0.00 H new ATOM 0 HG11 VAL A 69 5.066 -8.280 -6.810 1.00 0.00 H new ATOM 0 HG12 VAL A 69 3.768 -7.283 -6.112 1.00 0.00 H new ATOM 0 HG13 VAL A 69 5.383 -6.583 -6.378 1.00 0.00 H new ATOM 0 HG21 VAL A 69 6.935 -9.063 -5.398 1.00 0.00 H new ATOM 0 HG22 VAL A 69 7.329 -7.399 -4.906 1.00 0.00 H new ATOM 0 HG23 VAL A 69 6.998 -8.637 -3.671 1.00 0.00 H new ATOM 1104 N PRO A 70 2.609 -6.438 -4.241 1.00 0.00 N ATOM 1105 CA PRO A 70 1.445 -5.700 -4.741 1.00 0.00 C ATOM 1106 C PRO A 70 1.366 -4.287 -4.174 1.00 0.00 C ATOM 1107 O PRO A 70 1.370 -3.308 -4.919 1.00 0.00 O ATOM 1108 CB PRO A 70 0.259 -6.538 -4.254 1.00 0.00 C ATOM 1109 CG PRO A 70 0.802 -7.918 -4.116 1.00 0.00 C ATOM 1110 CD PRO A 70 2.253 -7.786 -3.768 1.00 0.00 C ATOM 0 HA PRO A 70 1.479 -5.570 -5.823 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -0.125 -6.167 -3.304 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -0.567 -6.507 -4.965 1.00 0.00 H new ATOM 0 HG2 PRO A 70 0.268 -8.467 -3.340 1.00 0.00 H new ATOM 0 HG3 PRO A 70 0.677 -8.476 -5.044 1.00 0.00 H new ATOM 0 HD2 PRO A 70 2.418 -7.890 -2.696 1.00 0.00 H new ATOM 0 HD3 PRO A 70 2.853 -8.553 -4.258 1.00 0.00 H new ATOM 1118 N GLY A 71 1.296 -4.188 -2.850 1.00 0.00 N ATOM 1119 CA GLY A 71 1.219 -2.890 -2.206 1.00 0.00 C ATOM 1120 C GLY A 71 2.085 -1.851 -2.890 1.00 0.00 C ATOM 1121 O GLY A 71 1.624 -0.748 -3.190 1.00 0.00 O ATOM 0 H GLY A 71 1.291 -4.984 -2.212 1.00 0.00 H new ATOM 0 HA2 GLY A 71 0.183 -2.550 -2.203 1.00 0.00 H new ATOM 0 HA3 GLY A 71 1.526 -2.986 -1.165 1.00 0.00 H new ATOM 1125 N LEU A 72 3.342 -2.200 -3.136 1.00 0.00 N ATOM 1126 CA LEU A 72 4.276 -1.289 -3.788 1.00 0.00 C ATOM 1127 C LEU A 72 3.710 -0.785 -5.112 1.00 0.00 C ATOM 1128 O LEU A 72 3.701 0.417 -5.378 1.00 0.00 O ATOM 1129 CB LEU A 72 5.617 -1.985 -4.025 1.00 0.00 C ATOM 1130 CG LEU A 72 6.845 -1.075 -4.080 1.00 0.00 C ATOM 1131 CD1 LEU A 72 6.662 0.007 -5.134 1.00 0.00 C ATOM 1132 CD2 LEU A 72 7.110 -0.454 -2.716 1.00 0.00 C ATOM 0 H LEU A 72 3.739 -3.108 -2.894 1.00 0.00 H new ATOM 0 HA LEU A 72 4.430 -0.433 -3.130 1.00 0.00 H new ATOM 0 HB2 LEU A 72 5.768 -2.718 -3.233 1.00 0.00 H new ATOM 0 HB3 LEU A 72 5.556 -2.537 -4.963 1.00 0.00 H new ATOM 0 HG LEU A 72 7.709 -1.680 -4.356 1.00 0.00 H new ATOM 0 HD11 LEU A 72 7.546 0.644 -5.158 1.00 0.00 H new ATOM 0 HD12 LEU A 72 6.522 -0.456 -6.111 1.00 0.00 H new ATOM 0 HD13 LEU A 72 5.787 0.609 -4.889 1.00 0.00 H new ATOM 0 HD21 LEU A 72 7.987 0.190 -2.774 1.00 0.00 H new ATOM 0 HD22 LEU A 72 6.246 0.136 -2.411 1.00 0.00 H new ATOM 0 HD23 LEU A 72 7.287 -1.243 -1.985 1.00 0.00 H new ATOM 1144 N TYR A 73 3.237 -1.711 -5.938 1.00 0.00 N ATOM 1145 CA TYR A 73 2.670 -1.361 -7.235 1.00 0.00 C ATOM 1146 C TYR A 73 1.495 -0.401 -7.074 1.00 0.00 C ATOM 1147 O TYR A 73 1.293 0.493 -7.896 1.00 0.00 O ATOM 1148 CB TYR A 73 2.215 -2.622 -7.973 1.00 0.00 C ATOM 1149 CG TYR A 73 3.357 -3.503 -8.426 1.00 0.00 C ATOM 1150 CD1 TYR A 73 4.663 -3.236 -8.037 1.00 0.00 C ATOM 1151 CD2 TYR A 73 3.129 -4.602 -9.245 1.00 0.00 C ATOM 1152 CE1 TYR A 73 5.710 -4.038 -8.449 1.00 0.00 C ATOM 1153 CE2 TYR A 73 4.169 -5.411 -9.660 1.00 0.00 C ATOM 1154 CZ TYR A 73 5.458 -5.124 -9.260 1.00 0.00 C ATOM 1155 OH TYR A 73 6.497 -5.927 -9.674 1.00 0.00 O ATOM 0 H TYR A 73 3.235 -2.710 -5.733 1.00 0.00 H new ATOM 0 HA TYR A 73 3.444 -0.865 -7.820 1.00 0.00 H new ATOM 0 HB2 TYR A 73 1.559 -3.198 -7.320 1.00 0.00 H new ATOM 0 HB3 TYR A 73 1.625 -2.331 -8.842 1.00 0.00 H new ATOM 0 HD1 TYR A 73 4.864 -2.386 -7.401 1.00 0.00 H new ATOM 0 HD2 TYR A 73 2.122 -4.828 -9.563 1.00 0.00 H new ATOM 0 HE1 TYR A 73 6.720 -3.815 -8.138 1.00 0.00 H new ATOM 0 HE2 TYR A 73 3.974 -6.263 -10.294 1.00 0.00 H new ATOM 0 HH TYR A 73 6.148 -6.648 -10.239 1.00 0.00 H new ATOM 1165 N VAL A 74 0.724 -0.592 -6.008 1.00 0.00 N ATOM 1166 CA VAL A 74 -0.429 0.257 -5.737 1.00 0.00 C ATOM 1167 C VAL A 74 -0.003 1.700 -5.489 1.00 0.00 C ATOM 1168 O VAL A 74 -0.641 2.637 -5.970 1.00 0.00 O ATOM 1169 CB VAL A 74 -1.224 -0.248 -4.518 1.00 0.00 C ATOM 1170 CG1 VAL A 74 -2.274 0.772 -4.105 1.00 0.00 C ATOM 1171 CG2 VAL A 74 -1.866 -1.593 -4.822 1.00 0.00 C ATOM 0 H VAL A 74 0.878 -1.328 -5.318 1.00 0.00 H new ATOM 0 HA VAL A 74 -1.067 0.216 -6.620 1.00 0.00 H new ATOM 0 HB VAL A 74 -0.534 -0.380 -3.685 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -2.825 0.398 -3.242 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -1.786 1.711 -3.844 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -2.964 0.939 -4.932 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -2.424 -1.935 -3.950 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -2.544 -1.489 -5.669 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -1.091 -2.320 -5.065 1.00 0.00 H new ATOM 1181 N ILE A 75 1.079 1.871 -4.737 1.00 0.00 N ATOM 1182 CA ILE A 75 1.591 3.200 -4.427 1.00 0.00 C ATOM 1183 C ILE A 75 2.129 3.887 -5.678 1.00 0.00 C ATOM 1184 O ILE A 75 1.924 5.084 -5.878 1.00 0.00 O ATOM 1185 CB ILE A 75 2.706 3.140 -3.367 1.00 0.00 C ATOM 1186 CG1 ILE A 75 2.157 2.595 -2.047 1.00 0.00 C ATOM 1187 CG2 ILE A 75 3.318 4.518 -3.163 1.00 0.00 C ATOM 1188 CD1 ILE A 75 3.230 2.078 -1.114 1.00 0.00 C ATOM 0 H ILE A 75 1.618 1.106 -4.331 1.00 0.00 H new ATOM 0 HA ILE A 75 0.755 3.776 -4.030 1.00 0.00 H new ATOM 0 HB ILE A 75 3.486 2.466 -3.720 1.00 0.00 H new ATOM 0 HG12 ILE A 75 1.597 3.383 -1.543 1.00 0.00 H new ATOM 0 HG13 ILE A 75 1.453 1.790 -2.260 1.00 0.00 H new ATOM 0 HG21 ILE A 75 4.105 4.459 -2.411 1.00 0.00 H new ATOM 0 HG22 ILE A 75 3.741 4.871 -4.103 1.00 0.00 H new ATOM 0 HG23 ILE A 75 2.547 5.212 -2.828 1.00 0.00 H new ATOM 0 HD11 ILE A 75 2.769 1.707 -0.199 1.00 0.00 H new ATOM 0 HD12 ILE A 75 3.775 1.268 -1.599 1.00 0.00 H new ATOM 0 HD13 ILE A 75 3.921 2.885 -0.871 1.00 0.00 H new ATOM 1200 N ASP A 76 2.817 3.121 -6.517 1.00 0.00 N ATOM 1201 CA ASP A 76 3.383 3.654 -7.750 1.00 0.00 C ATOM 1202 C ASP A 76 2.282 4.008 -8.745 1.00 0.00 C ATOM 1203 O ASP A 76 2.192 5.144 -9.209 1.00 0.00 O ATOM 1204 CB ASP A 76 4.346 2.643 -8.374 1.00 0.00 C ATOM 1205 CG ASP A 76 4.514 2.848 -9.867 1.00 0.00 C ATOM 1206 OD1 ASP A 76 3.628 2.409 -10.629 1.00 0.00 O ATOM 1207 OD2 ASP A 76 5.531 3.448 -10.273 1.00 0.00 O ATOM 0 H ASP A 76 2.996 2.128 -6.365 1.00 0.00 H new ATOM 0 HA ASP A 76 3.932 4.563 -7.505 1.00 0.00 H new ATOM 0 HB2 ASP A 76 5.318 2.724 -7.888 1.00 0.00 H new ATOM 0 HB3 ASP A 76 3.979 1.634 -8.188 1.00 0.00 H new ATOM 1212 N SER A 77 1.446 3.026 -9.069 1.00 0.00 N ATOM 1213 CA SER A 77 0.354 3.232 -10.012 1.00 0.00 C ATOM 1214 C SER A 77 -0.428 4.497 -9.671 1.00 0.00 C ATOM 1215 O SER A 77 -0.983 5.154 -10.552 1.00 0.00 O ATOM 1216 CB SER A 77 -0.584 2.024 -10.010 1.00 0.00 C ATOM 1217 OG SER A 77 0.047 0.887 -10.575 1.00 0.00 O ATOM 0 H SER A 77 1.505 2.080 -8.692 1.00 0.00 H new ATOM 0 HA SER A 77 0.784 3.349 -11.007 1.00 0.00 H new ATOM 0 HB2 SER A 77 -0.894 1.802 -8.989 1.00 0.00 H new ATOM 0 HB3 SER A 77 -1.487 2.260 -10.573 1.00 0.00 H new ATOM 0 HG SER A 77 0.608 0.454 -9.898 1.00 0.00 H new ATOM 1223 N ILE A 78 -0.466 4.833 -8.386 1.00 0.00 N ATOM 1224 CA ILE A 78 -1.178 6.019 -7.927 1.00 0.00 C ATOM 1225 C ILE A 78 -0.330 7.274 -8.109 1.00 0.00 C ATOM 1226 O ILE A 78 -0.695 8.179 -8.859 1.00 0.00 O ATOM 1227 CB ILE A 78 -1.581 5.896 -6.446 1.00 0.00 C ATOM 1228 CG1 ILE A 78 -2.773 4.948 -6.296 1.00 0.00 C ATOM 1229 CG2 ILE A 78 -1.912 7.266 -5.872 1.00 0.00 C ATOM 1230 CD1 ILE A 78 -2.865 4.304 -4.931 1.00 0.00 C ATOM 0 H ILE A 78 -0.012 4.300 -7.644 1.00 0.00 H new ATOM 0 HA ILE A 78 -2.079 6.101 -8.535 1.00 0.00 H new ATOM 0 HB ILE A 78 -0.740 5.483 -5.889 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -3.692 5.500 -6.491 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -2.703 4.167 -7.053 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -2.195 7.163 -4.824 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -1.039 7.914 -5.950 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -2.740 7.704 -6.430 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -3.733 3.646 -4.897 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -1.962 3.724 -4.741 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -2.967 5.078 -4.170 1.00 0.00 H new ATOM 1242 N VAL A 79 0.806 7.319 -7.420 1.00 0.00 N ATOM 1243 CA VAL A 79 1.708 8.461 -7.507 1.00 0.00 C ATOM 1244 C VAL A 79 1.935 8.872 -8.957 1.00 0.00 C ATOM 1245 O VAL A 79 1.889 10.056 -9.292 1.00 0.00 O ATOM 1246 CB VAL A 79 3.068 8.153 -6.853 1.00 0.00 C ATOM 1247 CG1 VAL A 79 3.994 9.355 -6.955 1.00 0.00 C ATOM 1248 CG2 VAL A 79 2.879 7.738 -5.402 1.00 0.00 C ATOM 0 H VAL A 79 1.123 6.578 -6.795 1.00 0.00 H new ATOM 0 HA VAL A 79 1.233 9.282 -6.970 1.00 0.00 H new ATOM 0 HB VAL A 79 3.529 7.323 -7.388 1.00 0.00 H new ATOM 0 HG11 VAL A 79 4.950 9.119 -6.488 1.00 0.00 H new ATOM 0 HG12 VAL A 79 4.155 9.603 -8.004 1.00 0.00 H new ATOM 0 HG13 VAL A 79 3.542 10.207 -6.446 1.00 0.00 H new ATOM 0 HG21 VAL A 79 3.850 7.524 -4.955 1.00 0.00 H new ATOM 0 HG22 VAL A 79 2.397 8.546 -4.852 1.00 0.00 H new ATOM 0 HG23 VAL A 79 2.255 6.846 -5.357 1.00 0.00 H new ATOM 1258 N ARG A 80 2.181 7.886 -9.814 1.00 0.00 N ATOM 1259 CA ARG A 80 2.416 8.145 -11.230 1.00 0.00 C ATOM 1260 C ARG A 80 1.278 8.965 -11.829 1.00 0.00 C ATOM 1261 O ARG A 80 1.511 9.913 -12.578 1.00 0.00 O ATOM 1262 CB ARG A 80 2.567 6.828 -11.993 1.00 0.00 C ATOM 1263 CG ARG A 80 3.852 6.082 -11.673 1.00 0.00 C ATOM 1264 CD ARG A 80 4.220 5.106 -12.779 1.00 0.00 C ATOM 1265 NE ARG A 80 3.197 4.081 -12.967 1.00 0.00 N ATOM 1266 CZ ARG A 80 3.362 3.012 -13.738 1.00 0.00 C ATOM 1267 NH1 ARG A 80 4.502 2.828 -14.389 1.00 0.00 N ATOM 1268 NH2 ARG A 80 2.384 2.123 -13.858 1.00 0.00 N ATOM 0 H ARG A 80 2.223 6.901 -9.553 1.00 0.00 H new ATOM 0 HA ARG A 80 3.339 8.717 -11.321 1.00 0.00 H new ATOM 0 HB2 ARG A 80 1.717 6.185 -11.763 1.00 0.00 H new ATOM 0 HB3 ARG A 80 2.532 7.032 -13.063 1.00 0.00 H new ATOM 0 HG2 ARG A 80 4.663 6.796 -11.532 1.00 0.00 H new ATOM 0 HG3 ARG A 80 3.736 5.542 -10.733 1.00 0.00 H new ATOM 0 HD2 ARG A 80 4.362 5.652 -13.712 1.00 0.00 H new ATOM 0 HD3 ARG A 80 5.171 4.630 -12.541 1.00 0.00 H new ATOM 0 HE ARG A 80 2.308 4.192 -12.480 1.00 0.00 H new ATOM 0 HH11 ARG A 80 5.256 3.509 -14.299 1.00 0.00 H new ATOM 0 HH12 ARG A 80 4.625 2.006 -14.980 1.00 0.00 H new ATOM 0 HH21 ARG A 80 1.506 2.261 -13.358 1.00 0.00 H new ATOM 0 HH22 ARG A 80 2.511 1.302 -14.450 1.00 0.00 H new ATOM 1282 N GLN A 81 0.047 8.593 -11.493 1.00 0.00 N ATOM 1283 CA GLN A 81 -1.127 9.294 -12.000 1.00 0.00 C ATOM 1284 C GLN A 81 -1.200 10.710 -11.439 1.00 0.00 C ATOM 1285 O GLN A 81 -1.041 11.687 -12.170 1.00 0.00 O ATOM 1286 CB GLN A 81 -2.400 8.524 -11.642 1.00 0.00 C ATOM 1287 CG GLN A 81 -2.827 7.525 -12.705 1.00 0.00 C ATOM 1288 CD GLN A 81 -2.815 8.118 -14.101 1.00 0.00 C ATOM 1289 OE1 GLN A 81 -3.266 9.361 -14.221 1.00 0.00 O flip ATOM 1290 NE2 GLN A 81 -2.404 7.465 -15.061 1.00 0.00 N flip ATOM 0 H GLN A 81 -0.163 7.811 -10.873 1.00 0.00 H new ATOM 0 HA GLN A 81 -1.042 9.357 -13.085 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -2.243 7.996 -10.702 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -3.210 9.235 -11.477 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -2.162 6.662 -12.675 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -3.829 7.163 -12.477 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -2.066 6.513 -14.923 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -2.401 7.877 -15.994 1.00 0.00 H new ATOM 1299 N SER A 82 -1.442 10.813 -10.136 1.00 0.00 N ATOM 1300 CA SER A 82 -1.540 12.111 -9.477 1.00 0.00 C ATOM 1301 C SER A 82 -0.388 13.020 -9.893 1.00 0.00 C ATOM 1302 O SER A 82 -0.582 14.207 -10.154 1.00 0.00 O ATOM 1303 CB SER A 82 -1.544 11.936 -7.957 1.00 0.00 C ATOM 1304 OG SER A 82 -0.524 11.044 -7.544 1.00 0.00 O ATOM 0 H SER A 82 -1.574 10.014 -9.516 1.00 0.00 H new ATOM 0 HA SER A 82 -2.476 12.577 -9.784 1.00 0.00 H new ATOM 0 HB2 SER A 82 -1.402 12.904 -7.476 1.00 0.00 H new ATOM 0 HB3 SER A 82 -2.514 11.559 -7.634 1.00 0.00 H new ATOM 0 HG SER A 82 -0.877 10.437 -6.861 1.00 0.00 H new ATOM 1310 N ARG A 83 0.813 12.453 -9.952 1.00 0.00 N ATOM 1311 CA ARG A 83 1.998 13.211 -10.334 1.00 0.00 C ATOM 1312 C ARG A 83 1.858 13.761 -11.751 1.00 0.00 C ATOM 1313 O ARG A 83 2.429 14.800 -12.084 1.00 0.00 O ATOM 1314 CB ARG A 83 3.245 12.331 -10.239 1.00 0.00 C ATOM 1315 CG ARG A 83 4.529 13.049 -10.622 1.00 0.00 C ATOM 1316 CD ARG A 83 5.547 12.091 -11.220 1.00 0.00 C ATOM 1317 NE ARG A 83 6.764 12.778 -11.642 1.00 0.00 N ATOM 1318 CZ ARG A 83 6.903 13.369 -12.824 1.00 0.00 C ATOM 1319 NH1 ARG A 83 5.904 13.356 -13.696 1.00 0.00 N ATOM 1320 NH2 ARG A 83 8.042 13.974 -13.135 1.00 0.00 N ATOM 0 H ARG A 83 0.991 11.471 -9.740 1.00 0.00 H new ATOM 0 HA ARG A 83 2.100 14.049 -9.645 1.00 0.00 H new ATOM 0 HB2 ARG A 83 3.338 11.957 -9.219 1.00 0.00 H new ATOM 0 HB3 ARG A 83 3.117 11.463 -10.886 1.00 0.00 H new ATOM 0 HG2 ARG A 83 4.305 13.838 -11.340 1.00 0.00 H new ATOM 0 HG3 ARG A 83 4.954 13.530 -9.741 1.00 0.00 H new ATOM 0 HD2 ARG A 83 5.799 11.326 -10.486 1.00 0.00 H new ATOM 0 HD3 ARG A 83 5.105 11.580 -12.075 1.00 0.00 H new ATOM 0 HE ARG A 83 7.551 12.806 -10.994 1.00 0.00 H new ATOM 0 HH11 ARG A 83 5.027 12.892 -13.460 1.00 0.00 H new ATOM 0 HH12 ARG A 83 6.013 13.810 -14.603 1.00 0.00 H new ATOM 0 HH21 ARG A 83 8.812 13.986 -12.466 1.00 0.00 H new ATOM 0 HH22 ARG A 83 8.147 14.427 -14.043 1.00 0.00 H new ATOM 1334 N HIS A 84 1.095 13.056 -12.581 1.00 0.00 N ATOM 1335 CA HIS A 84 0.880 13.474 -13.962 1.00 0.00 C ATOM 1336 C HIS A 84 -0.395 14.303 -14.086 1.00 0.00 C ATOM 1337 O HIS A 84 -0.347 15.485 -14.425 1.00 0.00 O ATOM 1338 CB HIS A 84 0.800 12.254 -14.879 1.00 0.00 C ATOM 1339 CG HIS A 84 0.321 12.574 -16.262 1.00 0.00 C ATOM 1340 ND1 HIS A 84 1.165 12.972 -17.277 1.00 0.00 N ATOM 1341 CD2 HIS A 84 -0.922 12.552 -16.795 1.00 0.00 C ATOM 1342 CE1 HIS A 84 0.461 13.182 -18.375 1.00 0.00 C ATOM 1343 NE2 HIS A 84 -0.808 12.934 -18.110 1.00 0.00 N ATOM 0 H HIS A 84 0.616 12.194 -12.322 1.00 0.00 H new ATOM 0 HA HIS A 84 1.725 14.092 -14.265 1.00 0.00 H new ATOM 0 HB2 HIS A 84 1.785 11.792 -14.942 1.00 0.00 H new ATOM 0 HB3 HIS A 84 0.131 11.518 -14.433 1.00 0.00 H new ATOM 0 HD2 HIS A 84 -1.834 12.284 -16.283 1.00 0.00 H new ATOM 0 HE1 HIS A 84 0.857 13.502 -19.328 1.00 0.00 H new ATOM 0 HE2 HIS A 84 -1.579 13.013 -18.773 1.00 0.00 H new ATOM 1351 N GLN A 85 -1.533 13.675 -13.810 1.00 0.00 N ATOM 1352 CA GLN A 85 -2.820 14.355 -13.893 1.00 0.00 C ATOM 1353 C GLN A 85 -2.744 15.743 -13.266 1.00 0.00 C ATOM 1354 O GLN A 85 -2.978 16.750 -13.933 1.00 0.00 O ATOM 1355 CB GLN A 85 -3.904 13.527 -13.198 1.00 0.00 C ATOM 1356 CG GLN A 85 -4.611 12.551 -14.125 1.00 0.00 C ATOM 1357 CD GLN A 85 -6.050 12.300 -13.720 1.00 0.00 C ATOM 1358 OE1 GLN A 85 -6.269 11.256 -12.929 1.00 0.00 O flip ATOM 1359 NE2 GLN A 85 -6.955 13.036 -14.113 1.00 0.00 N flip ATOM 0 H GLN A 85 -1.590 12.697 -13.527 1.00 0.00 H new ATOM 0 HA GLN A 85 -3.077 14.466 -14.947 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -3.454 12.972 -12.375 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -4.642 14.201 -12.763 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -4.587 12.940 -15.143 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -4.069 11.605 -14.132 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -6.741 13.827 -14.720 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -7.918 12.854 -13.832 1.00 0.00 H new ATOM 1449 N ASP A 91 0.808 16.716 -7.001 1.00 0.00 N ATOM 1450 CA ASP A 91 0.659 15.392 -6.408 1.00 0.00 C ATOM 1451 C ASP A 91 0.499 15.489 -4.894 1.00 0.00 C ATOM 1452 O ASP A 91 0.969 16.440 -4.270 1.00 0.00 O ATOM 1453 CB ASP A 91 1.867 14.518 -6.751 1.00 0.00 C ATOM 1454 CG ASP A 91 1.568 13.038 -6.613 1.00 0.00 C ATOM 1455 OD1 ASP A 91 0.814 12.669 -5.689 1.00 0.00 O ATOM 1456 OD2 ASP A 91 2.089 12.249 -7.429 1.00 0.00 O ATOM 0 HA ASP A 91 -0.240 14.935 -6.821 1.00 0.00 H new ATOM 0 HB2 ASP A 91 2.185 14.728 -7.772 1.00 0.00 H new ATOM 0 HB3 ASP A 91 2.699 14.780 -6.097 1.00 0.00 H new ATOM 1461 N VAL A 92 -0.169 14.499 -4.310 1.00 0.00 N ATOM 1462 CA VAL A 92 -0.392 14.473 -2.870 1.00 0.00 C ATOM 1463 C VAL A 92 0.118 13.173 -2.258 1.00 0.00 C ATOM 1464 O VAL A 92 0.501 13.132 -1.089 1.00 0.00 O ATOM 1465 CB VAL A 92 -1.885 14.637 -2.529 1.00 0.00 C ATOM 1466 CG1 VAL A 92 -2.411 15.961 -3.060 1.00 0.00 C ATOM 1467 CG2 VAL A 92 -2.689 13.472 -3.088 1.00 0.00 C ATOM 0 H VAL A 92 -0.565 13.705 -4.812 1.00 0.00 H new ATOM 0 HA VAL A 92 0.163 15.312 -2.449 1.00 0.00 H new ATOM 0 HB VAL A 92 -1.995 14.638 -1.445 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -3.467 16.060 -2.810 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -1.853 16.781 -2.609 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -2.290 15.993 -4.143 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -3.742 13.603 -2.838 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -2.575 13.438 -4.171 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -2.327 12.539 -2.655 1.00 0.00 H new ATOM 1477 N PHE A 93 0.121 12.111 -3.058 1.00 0.00 N ATOM 1478 CA PHE A 93 0.584 10.807 -2.596 1.00 0.00 C ATOM 1479 C PHE A 93 2.105 10.711 -2.673 1.00 0.00 C ATOM 1480 O PHE A 93 2.734 10.014 -1.878 1.00 0.00 O ATOM 1481 CB PHE A 93 -0.052 9.692 -3.428 1.00 0.00 C ATOM 1482 CG PHE A 93 -1.546 9.803 -3.537 1.00 0.00 C ATOM 1483 CD1 PHE A 93 -2.125 10.642 -4.475 1.00 0.00 C ATOM 1484 CD2 PHE A 93 -2.371 9.066 -2.702 1.00 0.00 C ATOM 1485 CE1 PHE A 93 -3.500 10.746 -4.576 1.00 0.00 C ATOM 1486 CE2 PHE A 93 -3.746 9.166 -2.799 1.00 0.00 C ATOM 1487 CZ PHE A 93 -4.311 10.006 -3.738 1.00 0.00 C ATOM 0 H PHE A 93 -0.192 12.128 -4.029 1.00 0.00 H new ATOM 0 HA PHE A 93 0.283 10.690 -1.555 1.00 0.00 H new ATOM 0 HB2 PHE A 93 0.379 9.705 -4.429 1.00 0.00 H new ATOM 0 HB3 PHE A 93 0.201 8.729 -2.985 1.00 0.00 H new ATOM 0 HD1 PHE A 93 -1.496 11.221 -5.134 1.00 0.00 H new ATOM 0 HD2 PHE A 93 -1.934 8.406 -1.967 1.00 0.00 H new ATOM 0 HE1 PHE A 93 -3.940 11.405 -5.310 1.00 0.00 H new ATOM 0 HE2 PHE A 93 -4.378 8.588 -2.141 1.00 0.00 H new ATOM 0 HZ PHE A 93 -5.385 10.084 -3.817 1.00 0.00 H new ATOM 1497 N ALA A 94 2.688 11.416 -3.637 1.00 0.00 N ATOM 1498 CA ALA A 94 4.134 11.412 -3.818 1.00 0.00 C ATOM 1499 C ALA A 94 4.842 11.998 -2.601 1.00 0.00 C ATOM 1500 O ALA A 94 5.658 11.343 -1.952 1.00 0.00 O ATOM 1501 CB ALA A 94 4.511 12.185 -5.073 1.00 0.00 C ATOM 0 H ALA A 94 2.181 11.997 -4.304 1.00 0.00 H new ATOM 0 HA ALA A 94 4.458 10.377 -3.930 1.00 0.00 H new ATOM 0 HB1 ALA A 94 5.594 12.174 -5.196 1.00 0.00 H new ATOM 0 HB2 ALA A 94 4.043 11.721 -5.941 1.00 0.00 H new ATOM 0 HB3 ALA A 94 4.167 13.215 -4.983 1.00 0.00 H new ATOM 1507 N PRO A 95 4.524 13.262 -2.282 1.00 0.00 N ATOM 1508 CA PRO A 95 5.119 13.964 -1.141 1.00 0.00 C ATOM 1509 C PRO A 95 4.643 13.404 0.196 1.00 0.00 C ATOM 1510 O PRO A 95 5.330 13.527 1.210 1.00 0.00 O ATOM 1511 CB PRO A 95 4.634 15.405 -1.319 1.00 0.00 C ATOM 1512 CG PRO A 95 3.373 15.286 -2.103 1.00 0.00 C ATOM 1513 CD PRO A 95 3.559 14.102 -3.011 1.00 0.00 C ATOM 0 HA PRO A 95 6.204 13.864 -1.122 1.00 0.00 H new ATOM 0 HB2 PRO A 95 4.458 15.885 -0.356 1.00 0.00 H new ATOM 0 HB3 PRO A 95 5.372 16.009 -1.846 1.00 0.00 H new ATOM 0 HG2 PRO A 95 2.516 15.142 -1.445 1.00 0.00 H new ATOM 0 HG3 PRO A 95 3.184 16.193 -2.678 1.00 0.00 H new ATOM 0 HD2 PRO A 95 2.620 13.577 -3.184 1.00 0.00 H new ATOM 0 HD3 PRO A 95 3.942 14.400 -3.987 1.00 0.00 H new ATOM 1521 N ARG A 96 3.466 12.787 0.189 1.00 0.00 N ATOM 1522 CA ARG A 96 2.899 12.209 1.401 1.00 0.00 C ATOM 1523 C ARG A 96 3.539 10.859 1.710 1.00 0.00 C ATOM 1524 O ARG A 96 3.834 10.549 2.864 1.00 0.00 O ATOM 1525 CB ARG A 96 1.385 12.047 1.255 1.00 0.00 C ATOM 1526 CG ARG A 96 0.714 11.458 2.485 1.00 0.00 C ATOM 1527 CD ARG A 96 0.565 12.494 3.588 1.00 0.00 C ATOM 1528 NE ARG A 96 -0.065 11.935 4.781 1.00 0.00 N ATOM 1529 CZ ARG A 96 -0.627 12.676 5.730 1.00 0.00 C ATOM 1530 NH1 ARG A 96 -0.638 13.997 5.625 1.00 0.00 N ATOM 1531 NH2 ARG A 96 -1.181 12.094 6.787 1.00 0.00 N ATOM 0 H ARG A 96 2.887 12.675 -0.643 1.00 0.00 H new ATOM 0 HA ARG A 96 3.106 12.888 2.228 1.00 0.00 H new ATOM 0 HB2 ARG A 96 0.943 13.020 1.041 1.00 0.00 H new ATOM 0 HB3 ARG A 96 1.178 11.407 0.397 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -0.268 11.069 2.214 1.00 0.00 H new ATOM 0 HG3 ARG A 96 1.300 10.616 2.852 1.00 0.00 H new ATOM 0 HD2 ARG A 96 1.546 12.891 3.848 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -0.030 13.331 3.222 1.00 0.00 H new ATOM 0 HE ARG A 96 -0.074 10.921 4.892 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -0.214 14.448 4.814 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -1.070 14.563 6.355 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -1.175 11.077 6.871 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -1.612 12.663 7.515 1.00 0.00 H new ATOM 1545 N PHE A 97 3.750 10.058 0.670 1.00 0.00 N ATOM 1546 CA PHE A 97 4.353 8.740 0.830 1.00 0.00 C ATOM 1547 C PHE A 97 5.806 8.858 1.281 1.00 0.00 C ATOM 1548 O PHE A 97 6.278 8.073 2.103 1.00 0.00 O ATOM 1549 CB PHE A 97 4.277 7.958 -0.483 1.00 0.00 C ATOM 1550 CG PHE A 97 2.974 7.237 -0.676 1.00 0.00 C ATOM 1551 CD1 PHE A 97 2.447 6.448 0.334 1.00 0.00 C ATOM 1552 CD2 PHE A 97 2.275 7.348 -1.868 1.00 0.00 C ATOM 1553 CE1 PHE A 97 1.249 5.782 0.159 1.00 0.00 C ATOM 1554 CE2 PHE A 97 1.075 6.684 -2.048 1.00 0.00 C ATOM 1555 CZ PHE A 97 0.561 5.901 -1.034 1.00 0.00 C ATOM 0 H PHE A 97 3.512 10.299 -0.292 1.00 0.00 H new ATOM 0 HA PHE A 97 3.795 8.203 1.597 1.00 0.00 H new ATOM 0 HB2 PHE A 97 4.430 8.645 -1.315 1.00 0.00 H new ATOM 0 HB3 PHE A 97 5.092 7.234 -0.513 1.00 0.00 H new ATOM 0 HD1 PHE A 97 2.979 6.352 1.269 1.00 0.00 H new ATOM 0 HD2 PHE A 97 2.672 7.960 -2.665 1.00 0.00 H new ATOM 0 HE1 PHE A 97 0.850 5.169 0.954 1.00 0.00 H new ATOM 0 HE2 PHE A 97 0.540 6.778 -2.982 1.00 0.00 H new ATOM 0 HZ PHE A 97 -0.376 5.383 -1.172 1.00 0.00 H new ATOM 1565 N SER A 98 6.511 9.844 0.735 1.00 0.00 N ATOM 1566 CA SER A 98 7.911 10.063 1.077 1.00 0.00 C ATOM 1567 C SER A 98 8.083 10.231 2.583 1.00 0.00 C ATOM 1568 O SER A 98 9.127 9.897 3.141 1.00 0.00 O ATOM 1569 CB SER A 98 8.449 11.297 0.350 1.00 0.00 C ATOM 1570 OG SER A 98 8.253 11.190 -1.050 1.00 0.00 O ATOM 0 H SER A 98 6.135 10.504 0.054 1.00 0.00 H new ATOM 0 HA SER A 98 8.478 9.187 0.760 1.00 0.00 H new ATOM 0 HB2 SER A 98 7.948 12.190 0.723 1.00 0.00 H new ATOM 0 HB3 SER A 98 9.511 11.415 0.564 1.00 0.00 H new ATOM 0 HG SER A 98 7.304 11.320 -1.258 1.00 0.00 H new ATOM 1576 N ASN A 99 7.049 10.753 3.236 1.00 0.00 N ATOM 1577 CA ASN A 99 7.084 10.967 4.678 1.00 0.00 C ATOM 1578 C ASN A 99 7.610 9.729 5.399 1.00 0.00 C ATOM 1579 O ASN A 99 8.751 9.703 5.857 1.00 0.00 O ATOM 1580 CB ASN A 99 5.688 11.318 5.197 1.00 0.00 C ATOM 1581 CG ASN A 99 5.140 12.586 4.569 1.00 0.00 C ATOM 1582 OD1 ASN A 99 5.858 13.310 3.879 1.00 0.00 O ATOM 1583 ND2 ASN A 99 3.863 12.859 4.807 1.00 0.00 N ATOM 0 H ASN A 99 6.177 11.035 2.789 1.00 0.00 H new ATOM 0 HA ASN A 99 7.759 11.798 4.880 1.00 0.00 H new ATOM 0 HB2 ASN A 99 5.008 10.491 4.992 1.00 0.00 H new ATOM 0 HB3 ASN A 99 5.725 11.439 6.280 1.00 0.00 H new ATOM 0 HD21 ASN A 99 3.439 13.698 4.412 1.00 0.00 H new ATOM 0 HD22 ASN A 99 3.306 12.230 5.385 1.00 0.00 H new ATOM 1590 N ASN A 100 6.769 8.704 5.494 1.00 0.00 N ATOM 1591 CA ASN A 100 7.148 7.463 6.159 1.00 0.00 C ATOM 1592 C ASN A 100 7.444 6.368 5.138 1.00 0.00 C ATOM 1593 O ASN A 100 7.437 5.181 5.467 1.00 0.00 O ATOM 1594 CB ASN A 100 6.036 7.007 7.105 1.00 0.00 C ATOM 1595 CG ASN A 100 5.326 8.171 7.767 1.00 0.00 C ATOM 1596 OD1 ASN A 100 4.329 8.678 7.253 1.00 0.00 O ATOM 1597 ND2 ASN A 100 5.838 8.602 8.914 1.00 0.00 N ATOM 0 H ASN A 100 5.821 8.709 5.119 1.00 0.00 H new ATOM 0 HA ASN A 100 8.053 7.651 6.737 1.00 0.00 H new ATOM 0 HB2 ASN A 100 5.311 6.412 6.549 1.00 0.00 H new ATOM 0 HB3 ASN A 100 6.459 6.359 7.873 1.00 0.00 H new ATOM 0 HD21 ASN A 100 5.403 9.383 9.405 1.00 0.00 H new ATOM 0 HD22 ASN A 100 6.666 8.152 9.304 1.00 0.00 H new ATOM 1604 N ILE A 101 7.704 6.775 3.900 1.00 0.00 N ATOM 1605 CA ILE A 101 8.004 5.829 2.833 1.00 0.00 C ATOM 1606 C ILE A 101 8.821 4.652 3.355 1.00 0.00 C ATOM 1607 O ILE A 101 8.544 3.497 3.028 1.00 0.00 O ATOM 1608 CB ILE A 101 8.775 6.504 1.683 1.00 0.00 C ATOM 1609 CG1 ILE A 101 9.045 5.498 0.562 1.00 0.00 C ATOM 1610 CG2 ILE A 101 10.080 7.096 2.195 1.00 0.00 C ATOM 1611 CD1 ILE A 101 7.956 5.457 -0.487 1.00 0.00 C ATOM 0 H ILE A 101 7.713 7.753 3.612 1.00 0.00 H new ATOM 0 HA ILE A 101 7.048 5.466 2.456 1.00 0.00 H new ATOM 0 HB ILE A 101 8.164 7.313 1.282 1.00 0.00 H new ATOM 0 HG12 ILE A 101 9.992 5.746 0.082 1.00 0.00 H new ATOM 0 HG13 ILE A 101 9.158 4.504 0.996 1.00 0.00 H new ATOM 0 HG21 ILE A 101 10.613 7.569 1.370 1.00 0.00 H new ATOM 0 HG22 ILE A 101 9.866 7.839 2.963 1.00 0.00 H new ATOM 0 HG23 ILE A 101 10.697 6.304 2.619 1.00 0.00 H new ATOM 0 HD11 ILE A 101 8.213 4.723 -1.250 1.00 0.00 H new ATOM 0 HD12 ILE A 101 7.011 5.179 -0.020 1.00 0.00 H new ATOM 0 HD13 ILE A 101 7.857 6.440 -0.948 1.00 0.00 H new ATOM 1623 N ILE A 102 9.827 4.951 4.170 1.00 0.00 N ATOM 1624 CA ILE A 102 10.681 3.918 4.740 1.00 0.00 C ATOM 1625 C ILE A 102 9.857 2.866 5.475 1.00 0.00 C ATOM 1626 O ILE A 102 9.879 1.687 5.122 1.00 0.00 O ATOM 1627 CB ILE A 102 11.715 4.515 5.713 1.00 0.00 C ATOM 1628 CG1 ILE A 102 12.530 5.607 5.018 1.00 0.00 C ATOM 1629 CG2 ILE A 102 12.630 3.424 6.249 1.00 0.00 C ATOM 1630 CD1 ILE A 102 13.340 5.103 3.844 1.00 0.00 C ATOM 0 H ILE A 102 10.070 5.901 4.450 1.00 0.00 H new ATOM 0 HA ILE A 102 11.206 3.449 3.908 1.00 0.00 H new ATOM 0 HB ILE A 102 11.185 4.963 6.554 1.00 0.00 H new ATOM 0 HG12 ILE A 102 11.854 6.389 4.673 1.00 0.00 H new ATOM 0 HG13 ILE A 102 13.203 6.064 5.744 1.00 0.00 H new ATOM 0 HG21 ILE A 102 13.355 3.862 6.935 1.00 0.00 H new ATOM 0 HG22 ILE A 102 12.036 2.678 6.776 1.00 0.00 H new ATOM 0 HG23 ILE A 102 13.155 2.950 5.420 1.00 0.00 H new ATOM 0 HD11 ILE A 102 13.892 5.932 3.400 1.00 0.00 H new ATOM 0 HD12 ILE A 102 14.041 4.342 4.186 1.00 0.00 H new ATOM 0 HD13 ILE A 102 12.671 4.672 3.099 1.00 0.00 H new ATOM 1642 N SER A 103 9.129 3.302 6.498 1.00 0.00 N ATOM 1643 CA SER A 103 8.298 2.398 7.284 1.00 0.00 C ATOM 1644 C SER A 103 7.380 1.579 6.381 1.00 0.00 C ATOM 1645 O SER A 103 7.114 0.406 6.645 1.00 0.00 O ATOM 1646 CB SER A 103 7.465 3.187 8.296 1.00 0.00 C ATOM 1647 OG SER A 103 7.171 2.402 9.438 1.00 0.00 O ATOM 0 H SER A 103 9.098 4.275 6.802 1.00 0.00 H new ATOM 0 HA SER A 103 8.956 1.714 7.820 1.00 0.00 H new ATOM 0 HB2 SER A 103 8.007 4.084 8.597 1.00 0.00 H new ATOM 0 HB3 SER A 103 6.537 3.517 7.829 1.00 0.00 H new ATOM 0 HG SER A 103 6.639 2.930 10.070 1.00 0.00 H new ATOM 1653 N THR A 104 6.898 2.207 5.313 1.00 0.00 N ATOM 1654 CA THR A 104 6.009 1.539 4.370 1.00 0.00 C ATOM 1655 C THR A 104 6.732 0.418 3.633 1.00 0.00 C ATOM 1656 O THR A 104 6.209 -0.688 3.498 1.00 0.00 O ATOM 1657 CB THR A 104 5.436 2.531 3.340 1.00 0.00 C ATOM 1658 OG1 THR A 104 4.511 3.419 3.977 1.00 0.00 O ATOM 1659 CG2 THR A 104 4.739 1.791 2.208 1.00 0.00 C ATOM 0 H THR A 104 7.108 3.177 5.079 1.00 0.00 H new ATOM 0 HA THR A 104 5.189 1.117 4.952 1.00 0.00 H new ATOM 0 HB THR A 104 6.262 3.107 2.923 1.00 0.00 H new ATOM 0 HG1 THR A 104 4.517 4.284 3.516 1.00 0.00 H new ATOM 0 HG21 THR A 104 4.342 2.511 1.493 1.00 0.00 H new ATOM 0 HG22 THR A 104 5.453 1.137 1.707 1.00 0.00 H new ATOM 0 HG23 THR A 104 3.922 1.194 2.613 1.00 0.00 H new ATOM 1667 N PHE A 105 7.938 0.711 3.156 1.00 0.00 N ATOM 1668 CA PHE A 105 8.733 -0.273 2.431 1.00 0.00 C ATOM 1669 C PHE A 105 9.178 -1.401 3.357 1.00 0.00 C ATOM 1670 O PHE A 105 9.268 -2.557 2.944 1.00 0.00 O ATOM 1671 CB PHE A 105 9.955 0.395 1.797 1.00 0.00 C ATOM 1672 CG PHE A 105 9.700 0.923 0.415 1.00 0.00 C ATOM 1673 CD1 PHE A 105 8.611 1.743 0.162 1.00 0.00 C ATOM 1674 CD2 PHE A 105 10.548 0.600 -0.633 1.00 0.00 C ATOM 1675 CE1 PHE A 105 8.374 2.232 -1.109 1.00 0.00 C ATOM 1676 CE2 PHE A 105 10.315 1.086 -1.905 1.00 0.00 C ATOM 1677 CZ PHE A 105 9.226 1.902 -2.144 1.00 0.00 C ATOM 0 H PHE A 105 8.386 1.622 3.259 1.00 0.00 H new ATOM 0 HA PHE A 105 8.111 -0.698 1.643 1.00 0.00 H new ATOM 0 HB2 PHE A 105 10.283 1.215 2.436 1.00 0.00 H new ATOM 0 HB3 PHE A 105 10.773 -0.325 1.757 1.00 0.00 H new ATOM 0 HD1 PHE A 105 7.940 2.003 0.967 1.00 0.00 H new ATOM 0 HD2 PHE A 105 11.400 -0.039 -0.453 1.00 0.00 H new ATOM 0 HE1 PHE A 105 7.523 2.872 -1.292 1.00 0.00 H new ATOM 0 HE2 PHE A 105 10.984 0.828 -2.713 1.00 0.00 H new ATOM 0 HZ PHE A 105 9.042 2.281 -3.138 1.00 0.00 H new ATOM 1687 N GLN A 106 9.457 -1.055 4.609 1.00 0.00 N ATOM 1688 CA GLN A 106 9.895 -2.038 5.594 1.00 0.00 C ATOM 1689 C GLN A 106 8.933 -3.220 5.648 1.00 0.00 C ATOM 1690 O GLN A 106 9.354 -4.375 5.663 1.00 0.00 O ATOM 1691 CB GLN A 106 10.006 -1.392 6.976 1.00 0.00 C ATOM 1692 CG GLN A 106 11.119 -0.361 7.078 1.00 0.00 C ATOM 1693 CD GLN A 106 12.482 -0.992 7.287 1.00 0.00 C ATOM 1694 OE1 GLN A 106 12.594 -2.083 7.847 1.00 0.00 O ATOM 1695 NE2 GLN A 106 13.527 -0.308 6.836 1.00 0.00 N ATOM 0 H GLN A 106 9.388 -0.102 4.966 1.00 0.00 H new ATOM 0 HA GLN A 106 10.876 -2.405 5.293 1.00 0.00 H new ATOM 0 HB2 GLN A 106 9.057 -0.916 7.223 1.00 0.00 H new ATOM 0 HB3 GLN A 106 10.174 -2.171 7.720 1.00 0.00 H new ATOM 0 HG2 GLN A 106 11.137 0.240 6.169 1.00 0.00 H new ATOM 0 HG3 GLN A 106 10.906 0.317 7.904 1.00 0.00 H new ATOM 0 HE21 GLN A 106 13.388 0.593 6.378 1.00 0.00 H new ATOM 0 HE22 GLN A 106 14.469 -0.683 6.948 1.00 0.00 H new ATOM 1704 N ASN A 107 7.638 -2.922 5.676 1.00 0.00 N ATOM 1705 CA ASN A 107 6.615 -3.960 5.729 1.00 0.00 C ATOM 1706 C ASN A 107 6.567 -4.744 4.421 1.00 0.00 C ATOM 1707 O ASN A 107 6.036 -5.854 4.369 1.00 0.00 O ATOM 1708 CB ASN A 107 5.246 -3.342 6.017 1.00 0.00 C ATOM 1709 CG ASN A 107 5.249 -2.486 7.269 1.00 0.00 C ATOM 1710 OD1 ASN A 107 6.197 -2.519 8.054 1.00 0.00 O ATOM 1711 ND2 ASN A 107 4.186 -1.713 7.460 1.00 0.00 N ATOM 0 H ASN A 107 7.272 -1.970 5.663 1.00 0.00 H new ATOM 0 HA ASN A 107 6.872 -4.648 6.535 1.00 0.00 H new ATOM 0 HB2 ASN A 107 4.938 -2.735 5.166 1.00 0.00 H new ATOM 0 HB3 ASN A 107 4.507 -4.136 6.125 1.00 0.00 H new ATOM 0 HD21 ASN A 107 4.132 -1.114 8.284 1.00 0.00 H new ATOM 0 HD22 ASN A 107 3.423 -1.718 6.783 1.00 0.00 H new ATOM 1718 N LEU A 108 7.126 -4.159 3.367 1.00 0.00 N ATOM 1719 CA LEU A 108 7.148 -4.802 2.058 1.00 0.00 C ATOM 1720 C LEU A 108 8.432 -5.602 1.866 1.00 0.00 C ATOM 1721 O LEU A 108 8.450 -6.606 1.153 1.00 0.00 O ATOM 1722 CB LEU A 108 7.015 -3.755 0.951 1.00 0.00 C ATOM 1723 CG LEU A 108 5.792 -2.841 1.035 1.00 0.00 C ATOM 1724 CD1 LEU A 108 5.964 -1.634 0.127 1.00 0.00 C ATOM 1725 CD2 LEU A 108 4.528 -3.607 0.673 1.00 0.00 C ATOM 0 H LEU A 108 7.570 -3.241 3.393 1.00 0.00 H new ATOM 0 HA LEU A 108 6.303 -5.488 2.003 1.00 0.00 H new ATOM 0 HB2 LEU A 108 7.910 -3.133 0.958 1.00 0.00 H new ATOM 0 HB3 LEU A 108 6.993 -4.271 -0.009 1.00 0.00 H new ATOM 0 HG LEU A 108 5.697 -2.487 2.061 1.00 0.00 H new ATOM 0 HD11 LEU A 108 5.084 -0.995 0.200 1.00 0.00 H new ATOM 0 HD12 LEU A 108 6.847 -1.072 0.432 1.00 0.00 H new ATOM 0 HD13 LEU A 108 6.085 -1.968 -0.903 1.00 0.00 H new ATOM 0 HD21 LEU A 108 3.668 -2.941 0.738 1.00 0.00 H new ATOM 0 HD22 LEU A 108 4.614 -3.991 -0.344 1.00 0.00 H new ATOM 0 HD23 LEU A 108 4.396 -4.439 1.365 1.00 0.00 H new ATOM 1737 N TYR A 109 9.505 -5.152 2.507 1.00 0.00 N ATOM 1738 CA TYR A 109 10.794 -5.825 2.407 1.00 0.00 C ATOM 1739 C TYR A 109 10.844 -7.046 3.321 1.00 0.00 C ATOM 1740 O TYR A 109 11.885 -7.687 3.463 1.00 0.00 O ATOM 1741 CB TYR A 109 11.926 -4.861 2.764 1.00 0.00 C ATOM 1742 CG TYR A 109 12.248 -3.872 1.667 1.00 0.00 C ATOM 1743 CD1 TYR A 109 12.374 -4.285 0.347 1.00 0.00 C ATOM 1744 CD2 TYR A 109 12.425 -2.523 1.950 1.00 0.00 C ATOM 1745 CE1 TYR A 109 12.669 -3.385 -0.659 1.00 0.00 C ATOM 1746 CE2 TYR A 109 12.718 -1.615 0.951 1.00 0.00 C ATOM 1747 CZ TYR A 109 12.840 -2.051 -0.352 1.00 0.00 C ATOM 1748 OH TYR A 109 13.132 -1.151 -1.351 1.00 0.00 O ATOM 0 H TYR A 109 9.507 -4.323 3.102 1.00 0.00 H new ATOM 0 HA TYR A 109 10.921 -6.159 1.377 1.00 0.00 H new ATOM 0 HB2 TYR A 109 11.655 -4.314 3.667 1.00 0.00 H new ATOM 0 HB3 TYR A 109 12.822 -5.436 2.997 1.00 0.00 H new ATOM 0 HD1 TYR A 109 12.239 -5.328 0.103 1.00 0.00 H new ATOM 0 HD2 TYR A 109 12.332 -2.178 2.969 1.00 0.00 H new ATOM 0 HE1 TYR A 109 12.765 -3.724 -1.680 1.00 0.00 H new ATOM 0 HE2 TYR A 109 12.851 -0.570 1.189 1.00 0.00 H new ATOM 0 HH TYR A 109 13.632 -0.396 -0.976 1.00 0.00 H new ATOM 1758 N ARG A 110 9.709 -7.362 3.937 1.00 0.00 N ATOM 1759 CA ARG A 110 9.622 -8.506 4.837 1.00 0.00 C ATOM 1760 C ARG A 110 9.449 -9.803 4.054 1.00 0.00 C ATOM 1761 O ARG A 110 9.596 -10.896 4.602 1.00 0.00 O ATOM 1762 CB ARG A 110 8.457 -8.326 5.812 1.00 0.00 C ATOM 1763 CG ARG A 110 8.341 -6.918 6.371 1.00 0.00 C ATOM 1764 CD ARG A 110 7.463 -6.881 7.612 1.00 0.00 C ATOM 1765 NE ARG A 110 7.961 -7.766 8.661 1.00 0.00 N ATOM 1766 CZ ARG A 110 7.603 -9.039 8.781 1.00 0.00 C ATOM 1767 NH1 ARG A 110 6.748 -9.574 7.920 1.00 0.00 N ATOM 1768 NH2 ARG A 110 8.100 -9.781 9.763 1.00 0.00 N ATOM 0 H ARG A 110 8.838 -6.842 3.829 1.00 0.00 H new ATOM 0 HA ARG A 110 10.553 -8.565 5.400 1.00 0.00 H new ATOM 0 HB2 ARG A 110 7.527 -8.584 5.305 1.00 0.00 H new ATOM 0 HB3 ARG A 110 8.575 -9.027 6.638 1.00 0.00 H new ATOM 0 HG2 ARG A 110 9.334 -6.540 6.615 1.00 0.00 H new ATOM 0 HG3 ARG A 110 7.926 -6.257 5.611 1.00 0.00 H new ATOM 0 HD2 ARG A 110 7.415 -5.860 7.992 1.00 0.00 H new ATOM 0 HD3 ARG A 110 6.446 -7.171 7.346 1.00 0.00 H new ATOM 0 HE ARG A 110 8.621 -7.385 9.339 1.00 0.00 H new ATOM 0 HH11 ARG A 110 6.364 -9.007 7.164 1.00 0.00 H new ATOM 0 HH12 ARG A 110 6.474 -10.552 8.014 1.00 0.00 H new ATOM 0 HH21 ARG A 110 8.758 -9.373 10.427 1.00 0.00 H new ATOM 0 HH22 ARG A 110 7.824 -10.759 9.853 1.00 0.00 H new ATOM 1782 N CYS A 111 9.135 -9.675 2.769 1.00 0.00 N ATOM 1783 CA CYS A 111 8.940 -10.837 1.910 1.00 0.00 C ATOM 1784 C CYS A 111 10.110 -11.807 2.034 1.00 0.00 C ATOM 1785 O CYS A 111 11.213 -11.440 2.441 1.00 0.00 O ATOM 1786 CB CYS A 111 8.777 -10.399 0.454 1.00 0.00 C ATOM 1787 SG CYS A 111 10.332 -9.994 -0.374 1.00 0.00 S ATOM 0 H CYS A 111 9.010 -8.778 2.300 1.00 0.00 H new ATOM 0 HA CYS A 111 8.033 -11.348 2.232 1.00 0.00 H new ATOM 0 HB2 CYS A 111 8.280 -11.195 -0.100 1.00 0.00 H new ATOM 0 HB3 CYS A 111 8.122 -9.529 0.419 1.00 0.00 H new ATOM 0 HG CYS A 111 10.572 -8.723 -0.248 1.00 0.00 H new ATOM 1793 N PRO A 112 9.867 -13.077 1.676 1.00 0.00 N ATOM 1794 CA PRO A 112 10.889 -14.126 1.739 1.00 0.00 C ATOM 1795 C PRO A 112 12.207 -13.692 1.107 1.00 0.00 C ATOM 1796 O PRO A 112 13.272 -14.197 1.459 1.00 0.00 O ATOM 1797 CB PRO A 112 10.267 -15.275 0.942 1.00 0.00 C ATOM 1798 CG PRO A 112 8.796 -15.061 1.053 1.00 0.00 C ATOM 1799 CD PRO A 112 8.577 -13.585 1.181 1.00 0.00 C ATOM 0 HA PRO A 112 11.140 -14.388 2.767 1.00 0.00 H new ATOM 0 HB2 PRO A 112 10.592 -15.257 -0.098 1.00 0.00 H new ATOM 0 HB3 PRO A 112 10.558 -16.243 1.350 1.00 0.00 H new ATOM 0 HG2 PRO A 112 8.282 -15.452 0.175 1.00 0.00 H new ATOM 0 HG3 PRO A 112 8.394 -15.587 1.919 1.00 0.00 H new ATOM 0 HD2 PRO A 112 8.312 -13.136 0.224 1.00 0.00 H new ATOM 0 HD3 PRO A 112 7.767 -13.360 1.874 1.00 0.00 H new ATOM 1807 N GLY A 113 12.127 -12.750 0.172 1.00 0.00 N ATOM 1808 CA GLY A 113 13.321 -12.263 -0.494 1.00 0.00 C ATOM 1809 C GLY A 113 13.266 -12.454 -1.997 1.00 0.00 C ATOM 1810 O GLY A 113 13.762 -11.620 -2.754 1.00 0.00 O ATOM 0 H GLY A 113 11.257 -12.316 -0.136 1.00 0.00 H new ATOM 0 HA2 GLY A 113 13.452 -11.204 -0.270 1.00 0.00 H new ATOM 0 HA3 GLY A 113 14.193 -12.783 -0.097 1.00 0.00 H new ATOM 1814 N ASP A 114 12.662 -13.555 -2.430 1.00 0.00 N ATOM 1815 CA ASP A 114 12.545 -13.854 -3.853 1.00 0.00 C ATOM 1816 C ASP A 114 11.565 -12.900 -4.529 1.00 0.00 C ATOM 1817 O ASP A 114 11.336 -12.981 -5.735 1.00 0.00 O ATOM 1818 CB ASP A 114 12.090 -15.300 -4.056 1.00 0.00 C ATOM 1819 CG ASP A 114 13.241 -16.284 -3.980 1.00 0.00 C ATOM 1820 OD1 ASP A 114 14.205 -16.132 -4.759 1.00 0.00 O ATOM 1821 OD2 ASP A 114 13.177 -17.207 -3.141 1.00 0.00 O ATOM 0 H ASP A 114 12.246 -14.255 -1.816 1.00 0.00 H new ATOM 0 HA ASP A 114 13.526 -13.723 -4.309 1.00 0.00 H new ATOM 0 HB2 ASP A 114 11.348 -15.554 -3.299 1.00 0.00 H new ATOM 0 HB3 ASP A 114 11.601 -15.391 -5.026 1.00 0.00 H new ATOM 1826 N ASP A 115 10.988 -11.997 -3.742 1.00 0.00 N ATOM 1827 CA ASP A 115 10.033 -11.027 -4.265 1.00 0.00 C ATOM 1828 C ASP A 115 10.601 -9.613 -4.197 1.00 0.00 C ATOM 1829 O ASP A 115 10.139 -8.712 -4.897 1.00 0.00 O ATOM 1830 CB ASP A 115 8.720 -11.101 -3.482 1.00 0.00 C ATOM 1831 CG ASP A 115 8.051 -12.456 -3.600 1.00 0.00 C ATOM 1832 OD1 ASP A 115 8.459 -13.384 -2.870 1.00 0.00 O ATOM 1833 OD2 ASP A 115 7.120 -12.589 -4.421 1.00 0.00 O ATOM 0 H ASP A 115 11.165 -11.917 -2.741 1.00 0.00 H new ATOM 0 HA ASP A 115 9.840 -11.271 -5.310 1.00 0.00 H new ATOM 0 HB2 ASP A 115 8.914 -10.885 -2.431 1.00 0.00 H new ATOM 0 HB3 ASP A 115 8.040 -10.330 -3.845 1.00 0.00 H new ATOM 1838 N LYS A 116 11.607 -9.426 -3.349 1.00 0.00 N ATOM 1839 CA LYS A 116 12.240 -8.122 -3.189 1.00 0.00 C ATOM 1840 C LYS A 116 12.498 -7.472 -4.544 1.00 0.00 C ATOM 1841 O LYS A 116 12.413 -6.252 -4.685 1.00 0.00 O ATOM 1842 CB LYS A 116 13.555 -8.262 -2.419 1.00 0.00 C ATOM 1843 CG LYS A 116 13.397 -8.129 -0.914 1.00 0.00 C ATOM 1844 CD LYS A 116 14.699 -8.421 -0.189 1.00 0.00 C ATOM 1845 CE LYS A 116 14.599 -8.090 1.292 1.00 0.00 C ATOM 1846 NZ LYS A 116 13.789 -9.097 2.032 1.00 0.00 N ATOM 0 H LYS A 116 12.001 -10.161 -2.762 1.00 0.00 H new ATOM 0 HA LYS A 116 11.561 -7.483 -2.624 1.00 0.00 H new ATOM 0 HB2 LYS A 116 13.997 -9.232 -2.645 1.00 0.00 H new ATOM 0 HB3 LYS A 116 14.255 -7.504 -2.771 1.00 0.00 H new ATOM 0 HG2 LYS A 116 13.062 -7.121 -0.670 1.00 0.00 H new ATOM 0 HG3 LYS A 116 12.624 -8.815 -0.566 1.00 0.00 H new ATOM 0 HD2 LYS A 116 14.957 -9.473 -0.311 1.00 0.00 H new ATOM 0 HD3 LYS A 116 15.505 -7.841 -0.639 1.00 0.00 H new ATOM 0 HE2 LYS A 116 15.600 -8.042 1.722 1.00 0.00 H new ATOM 0 HE3 LYS A 116 14.152 -7.103 1.414 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 13.000 -8.621 2.514 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 13.414 -9.800 1.363 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 14.387 -9.574 2.736 1.00 0.00 H new ATOM 1860 N SER A 117 12.812 -8.295 -5.540 1.00 0.00 N ATOM 1861 CA SER A 117 13.085 -7.800 -6.884 1.00 0.00 C ATOM 1862 C SER A 117 11.942 -6.920 -7.381 1.00 0.00 C ATOM 1863 O SER A 117 12.167 -5.841 -7.929 1.00 0.00 O ATOM 1864 CB SER A 117 13.300 -8.969 -7.847 1.00 0.00 C ATOM 1865 OG SER A 117 13.718 -8.510 -9.121 1.00 0.00 O ATOM 0 H SER A 117 12.884 -9.308 -5.441 1.00 0.00 H new ATOM 0 HA SER A 117 13.993 -7.199 -6.846 1.00 0.00 H new ATOM 0 HB2 SER A 117 14.048 -9.648 -7.438 1.00 0.00 H new ATOM 0 HB3 SER A 117 12.375 -9.537 -7.947 1.00 0.00 H new ATOM 0 HG SER A 117 13.850 -9.276 -9.718 1.00 0.00 H new ATOM 1871 N LYS A 118 10.715 -7.389 -7.186 1.00 0.00 N ATOM 1872 CA LYS A 118 9.535 -6.647 -7.612 1.00 0.00 C ATOM 1873 C LYS A 118 9.426 -5.322 -6.864 1.00 0.00 C ATOM 1874 O LYS A 118 8.692 -4.423 -7.277 1.00 0.00 O ATOM 1875 CB LYS A 118 8.272 -7.480 -7.382 1.00 0.00 C ATOM 1876 CG LYS A 118 7.992 -8.479 -8.491 1.00 0.00 C ATOM 1877 CD LYS A 118 8.647 -9.821 -8.212 1.00 0.00 C ATOM 1878 CE LYS A 118 8.210 -10.875 -9.218 1.00 0.00 C ATOM 1879 NZ LYS A 118 9.201 -11.980 -9.330 1.00 0.00 N ATOM 0 H LYS A 118 10.512 -8.281 -6.735 1.00 0.00 H new ATOM 0 HA LYS A 118 9.634 -6.436 -8.677 1.00 0.00 H new ATOM 0 HB2 LYS A 118 8.367 -8.016 -6.437 1.00 0.00 H new ATOM 0 HB3 LYS A 118 7.418 -6.810 -7.284 1.00 0.00 H new ATOM 0 HG2 LYS A 118 6.916 -8.614 -8.597 1.00 0.00 H new ATOM 0 HG3 LYS A 118 8.359 -8.084 -9.438 1.00 0.00 H new ATOM 0 HD2 LYS A 118 9.731 -9.712 -8.246 1.00 0.00 H new ATOM 0 HD3 LYS A 118 8.391 -10.150 -7.205 1.00 0.00 H new ATOM 0 HE2 LYS A 118 7.244 -11.283 -8.920 1.00 0.00 H new ATOM 0 HE3 LYS A 118 8.073 -10.410 -10.194 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 8.866 -12.677 -10.025 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 10.117 -11.595 -9.639 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 9.313 -12.441 -8.404 1.00 0.00 H new ATOM 1893 N ILE A 119 10.160 -5.208 -5.762 1.00 0.00 N ATOM 1894 CA ILE A 119 10.147 -3.992 -4.959 1.00 0.00 C ATOM 1895 C ILE A 119 11.252 -3.034 -5.393 1.00 0.00 C ATOM 1896 O ILE A 119 11.037 -1.826 -5.495 1.00 0.00 O ATOM 1897 CB ILE A 119 10.315 -4.305 -3.460 1.00 0.00 C ATOM 1898 CG1 ILE A 119 9.272 -5.331 -3.012 1.00 0.00 C ATOM 1899 CG2 ILE A 119 10.201 -3.031 -2.637 1.00 0.00 C ATOM 1900 CD1 ILE A 119 9.486 -5.833 -1.601 1.00 0.00 C ATOM 0 H ILE A 119 10.771 -5.943 -5.405 1.00 0.00 H new ATOM 0 HA ILE A 119 9.177 -3.520 -5.117 1.00 0.00 H new ATOM 0 HB ILE A 119 11.306 -4.729 -3.301 1.00 0.00 H new ATOM 0 HG12 ILE A 119 8.280 -4.884 -3.084 1.00 0.00 H new ATOM 0 HG13 ILE A 119 9.290 -6.178 -3.697 1.00 0.00 H new ATOM 0 HG21 ILE A 119 10.322 -3.269 -1.580 1.00 0.00 H new ATOM 0 HG22 ILE A 119 10.978 -2.330 -2.942 1.00 0.00 H new ATOM 0 HG23 ILE A 119 9.222 -2.580 -2.798 1.00 0.00 H new ATOM 0 HD11 ILE A 119 8.710 -6.557 -1.351 1.00 0.00 H new ATOM 0 HD12 ILE A 119 10.464 -6.309 -1.529 1.00 0.00 H new ATOM 0 HD13 ILE A 119 9.438 -4.995 -0.906 1.00 0.00 H new ATOM 1912 N VAL A 120 12.436 -3.582 -5.649 1.00 0.00 N ATOM 1913 CA VAL A 120 13.574 -2.777 -6.076 1.00 0.00 C ATOM 1914 C VAL A 120 13.394 -2.285 -7.507 1.00 0.00 C ATOM 1915 O VAL A 120 13.954 -1.261 -7.897 1.00 0.00 O ATOM 1916 CB VAL A 120 14.890 -3.572 -5.980 1.00 0.00 C ATOM 1917 CG1 VAL A 120 14.988 -4.285 -4.640 1.00 0.00 C ATOM 1918 CG2 VAL A 120 14.999 -4.563 -7.129 1.00 0.00 C ATOM 0 H VAL A 120 12.632 -4.580 -5.568 1.00 0.00 H new ATOM 0 HA VAL A 120 13.625 -1.920 -5.405 1.00 0.00 H new ATOM 0 HB VAL A 120 15.722 -2.872 -6.053 1.00 0.00 H new ATOM 0 HG11 VAL A 120 15.924 -4.841 -4.591 1.00 0.00 H new ATOM 0 HG12 VAL A 120 14.959 -3.551 -3.834 1.00 0.00 H new ATOM 0 HG13 VAL A 120 14.151 -4.974 -4.533 1.00 0.00 H new ATOM 0 HG21 VAL A 120 15.935 -5.116 -7.045 1.00 0.00 H new ATOM 0 HG22 VAL A 120 14.161 -5.259 -7.090 1.00 0.00 H new ATOM 0 HG23 VAL A 120 14.979 -4.025 -8.077 1.00 0.00 H new ATOM 1928 N ARG A 121 12.607 -3.021 -8.286 1.00 0.00 N ATOM 1929 CA ARG A 121 12.353 -2.660 -9.675 1.00 0.00 C ATOM 1930 C ARG A 121 11.533 -1.375 -9.761 1.00 0.00 C ATOM 1931 O ARG A 121 11.663 -0.607 -10.714 1.00 0.00 O ATOM 1932 CB ARG A 121 11.620 -3.794 -10.393 1.00 0.00 C ATOM 1933 CG ARG A 121 10.134 -3.853 -10.082 1.00 0.00 C ATOM 1934 CD ARG A 121 9.397 -4.761 -11.054 1.00 0.00 C ATOM 1935 NE ARG A 121 8.021 -4.325 -11.275 1.00 0.00 N ATOM 1936 CZ ARG A 121 7.322 -4.621 -12.365 1.00 0.00 C ATOM 1937 NH1 ARG A 121 7.867 -5.350 -13.328 1.00 0.00 N ATOM 1938 NH2 ARG A 121 6.075 -4.187 -12.493 1.00 0.00 N ATOM 0 H ARG A 121 12.135 -3.871 -7.978 1.00 0.00 H new ATOM 0 HA ARG A 121 13.313 -2.492 -10.162 1.00 0.00 H new ATOM 0 HB2 ARG A 121 11.753 -3.677 -11.469 1.00 0.00 H new ATOM 0 HB3 ARG A 121 12.078 -4.744 -10.116 1.00 0.00 H new ATOM 0 HG2 ARG A 121 9.988 -4.214 -9.064 1.00 0.00 H new ATOM 0 HG3 ARG A 121 9.711 -2.849 -10.128 1.00 0.00 H new ATOM 0 HD2 ARG A 121 9.928 -4.780 -12.006 1.00 0.00 H new ATOM 0 HD3 ARG A 121 9.397 -5.780 -10.668 1.00 0.00 H new ATOM 0 HE ARG A 121 7.572 -3.762 -10.553 1.00 0.00 H new ATOM 0 HH11 ARG A 121 8.826 -5.685 -13.233 1.00 0.00 H new ATOM 0 HH12 ARG A 121 7.328 -5.576 -14.164 1.00 0.00 H new ATOM 0 HH21 ARG A 121 5.652 -3.625 -11.754 1.00 0.00 H new ATOM 0 HH22 ARG A 121 5.539 -4.415 -13.330 1.00 0.00 H new ATOM 1952 N VAL A 122 10.688 -1.150 -8.760 1.00 0.00 N ATOM 1953 CA VAL A 122 9.848 0.040 -8.722 1.00 0.00 C ATOM 1954 C VAL A 122 10.677 1.291 -8.452 1.00 0.00 C ATOM 1955 O VAL A 122 10.455 2.340 -9.058 1.00 0.00 O ATOM 1956 CB VAL A 122 8.753 -0.079 -7.645 1.00 0.00 C ATOM 1957 CG1 VAL A 122 7.735 1.041 -7.791 1.00 0.00 C ATOM 1958 CG2 VAL A 122 8.076 -1.439 -7.722 1.00 0.00 C ATOM 0 H VAL A 122 10.567 -1.777 -7.964 1.00 0.00 H new ATOM 0 HA VAL A 122 9.377 0.125 -9.701 1.00 0.00 H new ATOM 0 HB VAL A 122 9.221 0.014 -6.665 1.00 0.00 H new ATOM 0 HG11 VAL A 122 6.970 0.940 -7.021 1.00 0.00 H new ATOM 0 HG12 VAL A 122 8.235 2.003 -7.681 1.00 0.00 H new ATOM 0 HG13 VAL A 122 7.270 0.984 -8.775 1.00 0.00 H new ATOM 0 HG21 VAL A 122 7.305 -1.506 -6.954 1.00 0.00 H new ATOM 0 HG22 VAL A 122 7.621 -1.564 -8.705 1.00 0.00 H new ATOM 0 HG23 VAL A 122 8.816 -2.223 -7.563 1.00 0.00 H new ATOM 1968 N LEU A 123 11.635 1.172 -7.539 1.00 0.00 N ATOM 1969 CA LEU A 123 12.500 2.293 -7.187 1.00 0.00 C ATOM 1970 C LEU A 123 13.252 2.805 -8.411 1.00 0.00 C ATOM 1971 O LEU A 123 13.244 4.000 -8.702 1.00 0.00 O ATOM 1972 CB LEU A 123 13.494 1.875 -6.102 1.00 0.00 C ATOM 1973 CG LEU A 123 12.890 1.503 -4.747 1.00 0.00 C ATOM 1974 CD1 LEU A 123 13.972 1.010 -3.799 1.00 0.00 C ATOM 1975 CD2 LEU A 123 12.154 2.691 -4.147 1.00 0.00 C ATOM 0 H LEU A 123 11.832 0.311 -7.029 1.00 0.00 H new ATOM 0 HA LEU A 123 11.872 3.098 -6.805 1.00 0.00 H new ATOM 0 HB2 LEU A 123 14.065 1.022 -6.469 1.00 0.00 H new ATOM 0 HB3 LEU A 123 14.201 2.691 -5.951 1.00 0.00 H new ATOM 0 HG LEU A 123 12.173 0.696 -4.899 1.00 0.00 H new ATOM 0 HD11 LEU A 123 13.524 0.750 -2.840 1.00 0.00 H new ATOM 0 HD12 LEU A 123 14.455 0.131 -4.224 1.00 0.00 H new ATOM 0 HD13 LEU A 123 14.713 1.796 -3.652 1.00 0.00 H new ATOM 0 HD21 LEU A 123 11.731 2.408 -3.183 1.00 0.00 H new ATOM 0 HD22 LEU A 123 12.850 3.518 -4.009 1.00 0.00 H new ATOM 0 HD23 LEU A 123 11.353 3.000 -4.819 1.00 0.00 H new ATOM 1987 N ASN A 124 13.900 1.891 -9.127 1.00 0.00 N ATOM 1988 CA ASN A 124 14.656 2.250 -10.321 1.00 0.00 C ATOM 1989 C ASN A 124 13.789 3.042 -11.296 1.00 0.00 C ATOM 1990 O ASN A 124 14.279 3.923 -12.004 1.00 0.00 O ATOM 1991 CB ASN A 124 15.194 0.992 -11.006 1.00 0.00 C ATOM 1992 CG ASN A 124 16.516 0.535 -10.419 1.00 0.00 C ATOM 1993 OD1 ASN A 124 17.575 1.062 -10.761 1.00 0.00 O ATOM 1994 ND2 ASN A 124 16.459 -0.450 -9.531 1.00 0.00 N ATOM 0 H ASN A 124 13.916 0.897 -8.901 1.00 0.00 H new ATOM 0 HA ASN A 124 15.494 2.877 -10.016 1.00 0.00 H new ATOM 0 HB2 ASN A 124 14.462 0.190 -10.914 1.00 0.00 H new ATOM 0 HB3 ASN A 124 15.320 1.187 -12.071 1.00 0.00 H new ATOM 0 HD21 ASN A 124 17.316 -0.800 -9.102 1.00 0.00 H new ATOM 0 HD22 ASN A 124 15.559 -0.857 -9.278 1.00 0.00 H new ATOM 2001 N LEU A 125 12.500 2.724 -11.325 1.00 0.00 N ATOM 2002 CA LEU A 125 11.564 3.406 -12.212 1.00 0.00 C ATOM 2003 C LEU A 125 11.217 4.791 -11.676 1.00 0.00 C ATOM 2004 O LEU A 125 11.124 5.756 -12.436 1.00 0.00 O ATOM 2005 CB LEU A 125 10.289 2.576 -12.376 1.00 0.00 C ATOM 2006 CG LEU A 125 10.345 1.459 -13.419 1.00 0.00 C ATOM 2007 CD1 LEU A 125 9.245 0.439 -13.169 1.00 0.00 C ATOM 2008 CD2 LEU A 125 10.231 2.035 -14.824 1.00 0.00 C ATOM 0 H LEU A 125 12.079 1.998 -10.745 1.00 0.00 H new ATOM 0 HA LEU A 125 12.042 3.522 -13.185 1.00 0.00 H new ATOM 0 HB2 LEU A 125 10.041 2.133 -11.411 1.00 0.00 H new ATOM 0 HB3 LEU A 125 9.472 3.249 -12.637 1.00 0.00 H new ATOM 0 HG LEU A 125 11.307 0.954 -13.331 1.00 0.00 H new ATOM 0 HD11 LEU A 125 9.301 -0.348 -13.921 1.00 0.00 H new ATOM 0 HD12 LEU A 125 9.371 0.003 -12.178 1.00 0.00 H new ATOM 0 HD13 LEU A 125 8.273 0.930 -13.229 1.00 0.00 H new ATOM 0 HD21 LEU A 125 10.273 1.226 -15.553 1.00 0.00 H new ATOM 0 HD22 LEU A 125 9.284 2.565 -14.924 1.00 0.00 H new ATOM 0 HD23 LEU A 125 11.055 2.727 -15.002 1.00 0.00 H new ATOM 2020 N TRP A 126 11.029 4.882 -10.365 1.00 0.00 N ATOM 2021 CA TRP A 126 10.694 6.150 -9.727 1.00 0.00 C ATOM 2022 C TRP A 126 11.784 7.188 -9.974 1.00 0.00 C ATOM 2023 O TRP A 126 11.511 8.280 -10.472 1.00 0.00 O ATOM 2024 CB TRP A 126 10.493 5.951 -8.224 1.00 0.00 C ATOM 2025 CG TRP A 126 9.143 5.404 -7.872 1.00 0.00 C ATOM 2026 CD1 TRP A 126 8.080 5.241 -8.714 1.00 0.00 C ATOM 2027 CD2 TRP A 126 8.712 4.948 -6.585 1.00 0.00 C ATOM 2028 NE1 TRP A 126 7.014 4.712 -8.027 1.00 0.00 N ATOM 2029 CE2 TRP A 126 7.376 4.522 -6.720 1.00 0.00 C ATOM 2030 CE3 TRP A 126 9.325 4.857 -5.333 1.00 0.00 C ATOM 2031 CZ2 TRP A 126 6.645 4.015 -5.649 1.00 0.00 C ATOM 2032 CZ3 TRP A 126 8.598 4.353 -4.271 1.00 0.00 C ATOM 2033 CH2 TRP A 126 7.270 3.937 -4.434 1.00 0.00 C ATOM 0 H TRP A 126 11.103 4.093 -9.723 1.00 0.00 H new ATOM 0 HA TRP A 126 9.765 6.515 -10.165 1.00 0.00 H new ATOM 0 HB2 TRP A 126 11.260 5.274 -7.849 1.00 0.00 H new ATOM 0 HB3 TRP A 126 10.634 6.905 -7.716 1.00 0.00 H new ATOM 0 HD1 TRP A 126 8.078 5.491 -9.765 1.00 0.00 H new ATOM 0 HE1 TRP A 126 6.101 4.496 -8.426 1.00 0.00 H new ATOM 0 HE3 TRP A 126 10.348 5.175 -5.197 1.00 0.00 H new ATOM 0 HZ2 TRP A 126 5.621 3.695 -5.773 1.00 0.00 H new ATOM 0 HZ3 TRP A 126 9.062 4.279 -3.298 1.00 0.00 H new ATOM 0 HH2 TRP A 126 6.729 3.547 -3.584 1.00 0.00 H new ATOM 2044 N GLN A 127 13.017 6.840 -9.623 1.00 0.00 N ATOM 2045 CA GLN A 127 14.147 7.743 -9.807 1.00 0.00 C ATOM 2046 C GLN A 127 14.253 8.193 -11.260 1.00 0.00 C ATOM 2047 O GLN A 127 14.810 9.251 -11.554 1.00 0.00 O ATOM 2048 CB GLN A 127 15.447 7.061 -9.376 1.00 0.00 C ATOM 2049 CG GLN A 127 16.485 8.025 -8.824 1.00 0.00 C ATOM 2050 CD GLN A 127 17.878 7.427 -8.793 1.00 0.00 C ATOM 2051 OE1 GLN A 127 18.498 7.214 -9.835 1.00 0.00 O ATOM 2052 NE2 GLN A 127 18.379 7.154 -7.594 1.00 0.00 N ATOM 0 H GLN A 127 13.259 5.940 -9.210 1.00 0.00 H new ATOM 0 HA GLN A 127 13.982 8.622 -9.184 1.00 0.00 H new ATOM 0 HB2 GLN A 127 15.220 6.311 -8.618 1.00 0.00 H new ATOM 0 HB3 GLN A 127 15.871 6.533 -10.230 1.00 0.00 H new ATOM 0 HG2 GLN A 127 16.495 8.929 -9.432 1.00 0.00 H new ATOM 0 HG3 GLN A 127 16.199 8.323 -7.815 1.00 0.00 H new ATOM 0 HE21 GLN A 127 17.830 7.347 -6.756 1.00 0.00 H new ATOM 0 HE22 GLN A 127 19.313 6.752 -7.511 1.00 0.00 H new ATOM 2061 N LYS A 128 13.715 7.384 -12.166 1.00 0.00 N ATOM 2062 CA LYS A 128 13.747 7.698 -13.589 1.00 0.00 C ATOM 2063 C LYS A 128 12.600 8.631 -13.966 1.00 0.00 C ATOM 2064 O LYS A 128 12.811 9.661 -14.605 1.00 0.00 O ATOM 2065 CB LYS A 128 13.668 6.415 -14.418 1.00 0.00 C ATOM 2066 CG LYS A 128 13.121 6.628 -15.819 1.00 0.00 C ATOM 2067 CD LYS A 128 13.101 5.333 -16.613 1.00 0.00 C ATOM 2068 CE LYS A 128 12.360 5.498 -17.931 1.00 0.00 C ATOM 2069 NZ LYS A 128 13.213 6.136 -18.971 1.00 0.00 N ATOM 0 H LYS A 128 13.251 6.504 -11.939 1.00 0.00 H new ATOM 0 HA LYS A 128 14.689 8.203 -13.803 1.00 0.00 H new ATOM 0 HB2 LYS A 128 14.663 5.976 -14.489 1.00 0.00 H new ATOM 0 HB3 LYS A 128 13.038 5.694 -13.897 1.00 0.00 H new ATOM 0 HG2 LYS A 128 12.111 7.034 -15.758 1.00 0.00 H new ATOM 0 HG3 LYS A 128 13.731 7.366 -16.340 1.00 0.00 H new ATOM 0 HD2 LYS A 128 14.123 5.008 -16.807 1.00 0.00 H new ATOM 0 HD3 LYS A 128 12.625 4.550 -16.022 1.00 0.00 H new ATOM 0 HE2 LYS A 128 12.025 4.523 -18.284 1.00 0.00 H new ATOM 0 HE3 LYS A 128 11.467 6.103 -17.772 1.00 0.00 H new ATOM 0 HZ1 LYS A 128 12.672 6.231 -19.854 1.00 0.00 H new ATOM 0 HZ2 LYS A 128 13.512 7.077 -18.645 1.00 0.00 H new ATOM 0 HZ3 LYS A 128 14.052 5.546 -19.141 1.00 0.00 H new ATOM 2083 N ASN A 129 11.388 8.263 -13.565 1.00 0.00 N ATOM 2084 CA ASN A 129 10.208 9.068 -13.861 1.00 0.00 C ATOM 2085 C ASN A 129 10.187 10.335 -13.010 1.00 0.00 C ATOM 2086 O ASN A 129 9.245 11.123 -13.076 1.00 0.00 O ATOM 2087 CB ASN A 129 8.936 8.255 -13.616 1.00 0.00 C ATOM 2088 CG ASN A 129 8.494 7.487 -14.847 1.00 0.00 C ATOM 2089 OD1 ASN A 129 8.053 8.076 -15.834 1.00 0.00 O ATOM 2090 ND2 ASN A 129 8.612 6.166 -14.793 1.00 0.00 N ATOM 0 H ASN A 129 11.197 7.413 -13.034 1.00 0.00 H new ATOM 0 HA ASN A 129 10.250 9.357 -14.911 1.00 0.00 H new ATOM 0 HB2 ASN A 129 9.107 7.556 -12.797 1.00 0.00 H new ATOM 0 HB3 ASN A 129 8.135 8.924 -13.302 1.00 0.00 H new ATOM 0 HD21 ASN A 129 8.332 5.596 -15.591 1.00 0.00 H new ATOM 0 HD22 ASN A 129 8.983 5.721 -13.954 1.00 0.00 H new ATOM 2097 N ASN A 130 11.234 10.524 -12.213 1.00 0.00 N ATOM 2098 CA ASN A 130 11.336 11.694 -11.350 1.00 0.00 C ATOM 2099 C ASN A 130 10.209 11.711 -10.321 1.00 0.00 C ATOM 2100 O ASN A 130 9.812 12.771 -9.836 1.00 0.00 O ATOM 2101 CB ASN A 130 11.297 12.975 -12.186 1.00 0.00 C ATOM 2102 CG ASN A 130 12.649 13.317 -12.782 1.00 0.00 C ATOM 2103 OD1 ASN A 130 13.535 13.822 -12.092 1.00 0.00 O ATOM 2104 ND2 ASN A 130 12.813 13.043 -14.071 1.00 0.00 N ATOM 0 H ASN A 130 12.023 9.881 -12.147 1.00 0.00 H new ATOM 0 HA ASN A 130 12.287 11.642 -10.820 1.00 0.00 H new ATOM 0 HB2 ASN A 130 10.568 12.860 -12.988 1.00 0.00 H new ATOM 0 HB3 ASN A 130 10.958 13.802 -11.563 1.00 0.00 H new ATOM 0 HD21 ASN A 130 13.701 13.251 -14.528 1.00 0.00 H new ATOM 0 HD22 ASN A 130 12.051 12.624 -14.604 1.00 0.00 H new ATOM 2111 N VAL A 131 9.699 10.529 -9.991 1.00 0.00 N ATOM 2112 CA VAL A 131 8.619 10.407 -9.019 1.00 0.00 C ATOM 2113 C VAL A 131 9.088 10.808 -7.624 1.00 0.00 C ATOM 2114 O VAL A 131 8.389 11.520 -6.903 1.00 0.00 O ATOM 2115 CB VAL A 131 8.067 8.970 -8.970 1.00 0.00 C ATOM 2116 CG1 VAL A 131 6.815 8.908 -8.109 1.00 0.00 C ATOM 2117 CG2 VAL A 131 7.784 8.460 -10.375 1.00 0.00 C ATOM 0 H VAL A 131 10.016 9.642 -10.382 1.00 0.00 H new ATOM 0 HA VAL A 131 7.826 11.082 -9.341 1.00 0.00 H new ATOM 0 HB VAL A 131 8.821 8.325 -8.519 1.00 0.00 H new ATOM 0 HG11 VAL A 131 6.439 7.885 -8.086 1.00 0.00 H new ATOM 0 HG12 VAL A 131 7.054 9.229 -7.095 1.00 0.00 H new ATOM 0 HG13 VAL A 131 6.053 9.565 -8.527 1.00 0.00 H new ATOM 0 HG21 VAL A 131 7.395 7.443 -10.321 1.00 0.00 H new ATOM 0 HG22 VAL A 131 7.048 9.105 -10.855 1.00 0.00 H new ATOM 0 HG23 VAL A 131 8.706 8.465 -10.957 1.00 0.00 H new ATOM 2127 N PHE A 132 10.276 10.346 -7.250 1.00 0.00 N ATOM 2128 CA PHE A 132 10.839 10.655 -5.941 1.00 0.00 C ATOM 2129 C PHE A 132 12.296 11.092 -6.065 1.00 0.00 C ATOM 2130 O PHE A 132 12.999 10.694 -6.995 1.00 0.00 O ATOM 2131 CB PHE A 132 10.736 9.439 -5.018 1.00 0.00 C ATOM 2132 CG PHE A 132 9.322 9.024 -4.729 1.00 0.00 C ATOM 2133 CD1 PHE A 132 8.634 8.203 -5.608 1.00 0.00 C ATOM 2134 CD2 PHE A 132 8.681 9.454 -3.579 1.00 0.00 C ATOM 2135 CE1 PHE A 132 7.333 7.820 -5.345 1.00 0.00 C ATOM 2136 CE2 PHE A 132 7.380 9.074 -3.310 1.00 0.00 C ATOM 2137 CZ PHE A 132 6.705 8.255 -4.194 1.00 0.00 C ATOM 0 H PHE A 132 10.868 9.756 -7.835 1.00 0.00 H new ATOM 0 HA PHE A 132 10.267 11.477 -5.512 1.00 0.00 H new ATOM 0 HB2 PHE A 132 11.266 8.602 -5.472 1.00 0.00 H new ATOM 0 HB3 PHE A 132 11.240 9.663 -4.078 1.00 0.00 H new ATOM 0 HD1 PHE A 132 9.120 7.859 -6.509 1.00 0.00 H new ATOM 0 HD2 PHE A 132 9.204 10.094 -2.884 1.00 0.00 H new ATOM 0 HE1 PHE A 132 6.807 7.181 -6.039 1.00 0.00 H new ATOM 0 HE2 PHE A 132 6.892 9.417 -2.410 1.00 0.00 H new ATOM 0 HZ PHE A 132 5.688 7.955 -3.986 1.00 0.00 H new ATOM 2147 N LYS A 133 12.744 11.913 -5.121 1.00 0.00 N ATOM 2148 CA LYS A 133 14.116 12.405 -5.122 1.00 0.00 C ATOM 2149 C LYS A 133 15.096 11.284 -4.790 1.00 0.00 C ATOM 2150 O LYS A 133 14.800 10.409 -3.976 1.00 0.00 O ATOM 2151 CB LYS A 133 14.271 13.547 -4.115 1.00 0.00 C ATOM 2152 CG LYS A 133 14.497 13.075 -2.690 1.00 0.00 C ATOM 2153 CD LYS A 133 14.565 14.242 -1.720 1.00 0.00 C ATOM 2154 CE LYS A 133 13.497 15.282 -2.023 1.00 0.00 C ATOM 2155 NZ LYS A 133 13.222 16.154 -0.848 1.00 0.00 N ATOM 0 H LYS A 133 12.176 12.252 -4.345 1.00 0.00 H new ATOM 0 HA LYS A 133 14.341 12.777 -6.121 1.00 0.00 H new ATOM 0 HB2 LYS A 133 15.108 14.176 -4.418 1.00 0.00 H new ATOM 0 HB3 LYS A 133 13.377 14.170 -4.145 1.00 0.00 H new ATOM 0 HG2 LYS A 133 13.691 12.403 -2.396 1.00 0.00 H new ATOM 0 HG3 LYS A 133 15.423 12.503 -2.638 1.00 0.00 H new ATOM 0 HD2 LYS A 133 14.440 13.877 -0.701 1.00 0.00 H new ATOM 0 HD3 LYS A 133 15.550 14.705 -1.774 1.00 0.00 H new ATOM 0 HE2 LYS A 133 13.817 15.897 -2.864 1.00 0.00 H new ATOM 0 HE3 LYS A 133 12.578 14.781 -2.326 1.00 0.00 H new ATOM 0 HZ1 LYS A 133 12.489 16.849 -1.095 1.00 0.00 H new ATOM 0 HZ2 LYS A 133 12.892 15.571 -0.053 1.00 0.00 H new ATOM 0 HZ3 LYS A 133 14.093 16.652 -0.574 1.00 0.00 H new ATOM 2169 N SER A 134 16.264 11.317 -5.424 1.00 0.00 N ATOM 2170 CA SER A 134 17.286 10.303 -5.197 1.00 0.00 C ATOM 2171 C SER A 134 17.638 10.208 -3.715 1.00 0.00 C ATOM 2172 O SER A 134 18.069 9.160 -3.235 1.00 0.00 O ATOM 2173 CB SER A 134 18.542 10.622 -6.011 1.00 0.00 C ATOM 2174 OG SER A 134 18.219 10.871 -7.368 1.00 0.00 O ATOM 0 H SER A 134 16.526 12.035 -6.099 1.00 0.00 H new ATOM 0 HA SER A 134 16.886 9.342 -5.520 1.00 0.00 H new ATOM 0 HB2 SER A 134 19.043 11.492 -5.587 1.00 0.00 H new ATOM 0 HB3 SER A 134 19.242 9.789 -5.947 1.00 0.00 H new ATOM 0 HG SER A 134 19.038 11.074 -7.867 1.00 0.00 H new ATOM 2180 N GLU A 135 17.451 11.311 -2.997 1.00 0.00 N ATOM 2181 CA GLU A 135 17.750 11.353 -1.570 1.00 0.00 C ATOM 2182 C GLU A 135 16.746 10.518 -0.780 1.00 0.00 C ATOM 2183 O GLU A 135 17.014 10.114 0.352 1.00 0.00 O ATOM 2184 CB GLU A 135 17.737 12.797 -1.066 1.00 0.00 C ATOM 2185 CG GLU A 135 17.344 12.928 0.396 1.00 0.00 C ATOM 2186 CD GLU A 135 17.770 14.253 0.998 1.00 0.00 C ATOM 2187 OE1 GLU A 135 18.858 14.747 0.634 1.00 0.00 O ATOM 2188 OE2 GLU A 135 17.016 14.796 1.832 1.00 0.00 O ATOM 0 H GLU A 135 17.094 12.187 -3.379 1.00 0.00 H new ATOM 0 HA GLU A 135 18.745 10.933 -1.420 1.00 0.00 H new ATOM 0 HB2 GLU A 135 18.727 13.231 -1.208 1.00 0.00 H new ATOM 0 HB3 GLU A 135 17.044 13.379 -1.673 1.00 0.00 H new ATOM 0 HG2 GLU A 135 16.263 12.822 0.489 1.00 0.00 H new ATOM 0 HG3 GLU A 135 17.794 12.114 0.964 1.00 0.00 H new ATOM 2195 N ILE A 136 15.591 10.264 -1.385 1.00 0.00 N ATOM 2196 CA ILE A 136 14.547 9.477 -0.739 1.00 0.00 C ATOM 2197 C ILE A 136 14.589 8.024 -1.199 1.00 0.00 C ATOM 2198 O ILE A 136 14.329 7.107 -0.420 1.00 0.00 O ATOM 2199 CB ILE A 136 13.149 10.054 -1.024 1.00 0.00 C ATOM 2200 CG1 ILE A 136 12.931 11.342 -0.226 1.00 0.00 C ATOM 2201 CG2 ILE A 136 12.074 9.030 -0.690 1.00 0.00 C ATOM 2202 CD1 ILE A 136 11.885 12.255 -0.826 1.00 0.00 C ATOM 0 H ILE A 136 15.354 10.591 -2.321 1.00 0.00 H new ATOM 0 HA ILE A 136 14.737 9.521 0.333 1.00 0.00 H new ATOM 0 HB ILE A 136 13.081 10.291 -2.086 1.00 0.00 H new ATOM 0 HG12 ILE A 136 12.636 11.084 0.791 1.00 0.00 H new ATOM 0 HG13 ILE A 136 13.876 11.881 -0.157 1.00 0.00 H new ATOM 0 HG21 ILE A 136 11.091 9.453 -0.897 1.00 0.00 H new ATOM 0 HG22 ILE A 136 12.220 8.137 -1.298 1.00 0.00 H new ATOM 0 HG23 ILE A 136 12.140 8.765 0.365 1.00 0.00 H new ATOM 0 HD11 ILE A 136 11.783 13.147 -0.208 1.00 0.00 H new ATOM 0 HD12 ILE A 136 12.188 12.543 -1.833 1.00 0.00 H new ATOM 0 HD13 ILE A 136 10.929 11.733 -0.870 1.00 0.00 H new ATOM 2214 N ILE A 137 14.921 7.822 -2.470 1.00 0.00 N ATOM 2215 CA ILE A 137 15.000 6.480 -3.034 1.00 0.00 C ATOM 2216 C ILE A 137 16.338 5.825 -2.709 1.00 0.00 C ATOM 2217 O ILE A 137 16.409 4.619 -2.476 1.00 0.00 O ATOM 2218 CB ILE A 137 14.808 6.499 -4.562 1.00 0.00 C ATOM 2219 CG1 ILE A 137 13.524 7.246 -4.927 1.00 0.00 C ATOM 2220 CG2 ILE A 137 14.776 5.080 -5.110 1.00 0.00 C ATOM 2221 CD1 ILE A 137 13.017 6.933 -6.318 1.00 0.00 C ATOM 0 H ILE A 137 15.139 8.570 -3.128 1.00 0.00 H new ATOM 0 HA ILE A 137 14.195 5.900 -2.582 1.00 0.00 H new ATOM 0 HB ILE A 137 15.651 7.022 -5.013 1.00 0.00 H new ATOM 0 HG12 ILE A 137 12.749 6.996 -4.202 1.00 0.00 H new ATOM 0 HG13 ILE A 137 13.702 8.318 -4.847 1.00 0.00 H new ATOM 0 HG21 ILE A 137 14.640 5.110 -6.191 1.00 0.00 H new ATOM 0 HG22 ILE A 137 15.715 4.579 -4.877 1.00 0.00 H new ATOM 0 HG23 ILE A 137 13.950 4.533 -4.655 1.00 0.00 H new ATOM 0 HD11 ILE A 137 12.104 7.498 -6.508 1.00 0.00 H new ATOM 0 HD12 ILE A 137 13.774 7.209 -7.052 1.00 0.00 H new ATOM 0 HD13 ILE A 137 12.807 5.866 -6.397 1.00 0.00 H new ATOM 2233 N GLN A 138 17.396 6.630 -2.694 1.00 0.00 N ATOM 2234 CA GLN A 138 18.733 6.128 -2.397 1.00 0.00 C ATOM 2235 C GLN A 138 18.684 5.067 -1.302 1.00 0.00 C ATOM 2236 O GLN A 138 19.186 3.953 -1.461 1.00 0.00 O ATOM 2237 CB GLN A 138 19.648 7.276 -1.969 1.00 0.00 C ATOM 2238 CG GLN A 138 20.807 6.836 -1.090 1.00 0.00 C ATOM 2239 CD GLN A 138 21.842 6.029 -1.849 1.00 0.00 C ATOM 2240 OE1 GLN A 138 22.770 6.585 -2.437 1.00 0.00 O ATOM 2241 NE2 GLN A 138 21.687 4.710 -1.841 1.00 0.00 N ATOM 0 H GLN A 138 17.353 7.631 -2.884 1.00 0.00 H new ATOM 0 HA GLN A 138 19.133 5.672 -3.303 1.00 0.00 H new ATOM 0 HB2 GLN A 138 20.044 7.765 -2.859 1.00 0.00 H new ATOM 0 HB3 GLN A 138 19.058 8.019 -1.433 1.00 0.00 H new ATOM 0 HG2 GLN A 138 21.284 7.715 -0.657 1.00 0.00 H new ATOM 0 HG3 GLN A 138 20.424 6.241 -0.261 1.00 0.00 H new ATOM 0 HE21 GLN A 138 20.903 4.292 -1.340 1.00 0.00 H new ATOM 0 HE22 GLN A 138 22.352 4.115 -2.335 1.00 0.00 H new ATOM 2250 N PRO A 139 18.067 5.417 -0.164 1.00 0.00 N ATOM 2251 CA PRO A 139 17.938 4.508 0.978 1.00 0.00 C ATOM 2252 C PRO A 139 16.980 3.356 0.698 1.00 0.00 C ATOM 2253 O PRO A 139 17.243 2.211 1.070 1.00 0.00 O ATOM 2254 CB PRO A 139 17.383 5.407 2.086 1.00 0.00 C ATOM 2255 CG PRO A 139 16.676 6.503 1.366 1.00 0.00 C ATOM 2256 CD PRO A 139 17.446 6.727 0.094 1.00 0.00 C ATOM 0 HA PRO A 139 18.887 4.033 1.229 1.00 0.00 H new ATOM 0 HB2 PRO A 139 16.703 4.858 2.738 1.00 0.00 H new ATOM 0 HB3 PRO A 139 18.182 5.798 2.716 1.00 0.00 H new ATOM 0 HG2 PRO A 139 15.643 6.227 1.153 1.00 0.00 H new ATOM 0 HG3 PRO A 139 16.646 7.410 1.969 1.00 0.00 H new ATOM 0 HD2 PRO A 139 16.792 7.030 -0.724 1.00 0.00 H new ATOM 0 HD3 PRO A 139 18.195 7.511 0.210 1.00 0.00 H new ATOM 2264 N LEU A 140 15.868 3.664 0.040 1.00 0.00 N ATOM 2265 CA LEU A 140 14.869 2.654 -0.291 1.00 0.00 C ATOM 2266 C LEU A 140 15.483 1.535 -1.127 1.00 0.00 C ATOM 2267 O LEU A 140 15.010 0.398 -1.106 1.00 0.00 O ATOM 2268 CB LEU A 140 13.702 3.290 -1.049 1.00 0.00 C ATOM 2269 CG LEU A 140 12.898 4.341 -0.282 1.00 0.00 C ATOM 2270 CD1 LEU A 140 11.857 4.981 -1.187 1.00 0.00 C ATOM 2271 CD2 LEU A 140 12.236 3.719 0.939 1.00 0.00 C ATOM 0 H LEU A 140 15.635 4.606 -0.275 1.00 0.00 H new ATOM 0 HA LEU A 140 14.499 2.226 0.641 1.00 0.00 H new ATOM 0 HB2 LEU A 140 14.092 3.751 -1.957 1.00 0.00 H new ATOM 0 HB3 LEU A 140 13.022 2.497 -1.361 1.00 0.00 H new ATOM 0 HG LEU A 140 13.582 5.119 0.057 1.00 0.00 H new ATOM 0 HD11 LEU A 140 11.295 5.726 -0.624 1.00 0.00 H new ATOM 0 HD12 LEU A 140 12.354 5.462 -2.030 1.00 0.00 H new ATOM 0 HD13 LEU A 140 11.175 4.215 -1.556 1.00 0.00 H new ATOM 0 HD21 LEU A 140 11.668 4.481 1.473 1.00 0.00 H new ATOM 0 HD22 LEU A 140 11.564 2.921 0.622 1.00 0.00 H new ATOM 0 HD23 LEU A 140 13.001 3.308 1.598 1.00 0.00 H new ATOM 2283 N LEU A 141 16.541 1.864 -1.861 1.00 0.00 N ATOM 2284 CA LEU A 141 17.222 0.887 -2.703 1.00 0.00 C ATOM 2285 C LEU A 141 18.063 -0.066 -1.859 1.00 0.00 C ATOM 2286 O LEU A 141 18.249 -1.229 -2.218 1.00 0.00 O ATOM 2287 CB LEU A 141 18.109 1.597 -3.727 1.00 0.00 C ATOM 2288 CG LEU A 141 17.391 2.190 -4.940 1.00 0.00 C ATOM 2289 CD1 LEU A 141 18.282 3.199 -5.647 1.00 0.00 C ATOM 2290 CD2 LEU A 141 16.964 1.089 -5.898 1.00 0.00 C ATOM 0 H LEU A 141 16.945 2.800 -1.890 1.00 0.00 H new ATOM 0 HA LEU A 141 16.464 0.306 -3.229 1.00 0.00 H new ATOM 0 HB2 LEU A 141 18.645 2.399 -3.219 1.00 0.00 H new ATOM 0 HB3 LEU A 141 18.857 0.889 -4.083 1.00 0.00 H new ATOM 0 HG LEU A 141 16.497 2.707 -4.592 1.00 0.00 H new ATOM 0 HD11 LEU A 141 17.754 3.610 -6.507 1.00 0.00 H new ATOM 0 HD12 LEU A 141 18.537 4.005 -4.958 1.00 0.00 H new ATOM 0 HD13 LEU A 141 19.195 2.706 -5.983 1.00 0.00 H new ATOM 0 HD21 LEU A 141 16.455 1.530 -6.755 1.00 0.00 H new ATOM 0 HD22 LEU A 141 17.843 0.543 -6.240 1.00 0.00 H new ATOM 0 HD23 LEU A 141 16.287 0.404 -5.387 1.00 0.00 H new ATOM 2302 N ASP A 142 18.566 0.433 -0.736 1.00 0.00 N ATOM 2303 CA ASP A 142 19.384 -0.375 0.161 1.00 0.00 C ATOM 2304 C ASP A 142 18.509 -1.223 1.079 1.00 0.00 C ATOM 2305 O ASP A 142 18.753 -2.416 1.257 1.00 0.00 O ATOM 2306 CB ASP A 142 20.302 0.521 0.995 1.00 0.00 C ATOM 2307 CG ASP A 142 21.606 -0.162 1.356 1.00 0.00 C ATOM 2308 OD1 ASP A 142 21.591 -1.392 1.576 1.00 0.00 O ATOM 2309 OD2 ASP A 142 22.642 0.532 1.417 1.00 0.00 O ATOM 0 H ASP A 142 18.422 1.394 -0.425 1.00 0.00 H new ATOM 0 HA ASP A 142 19.995 -1.042 -0.447 1.00 0.00 H new ATOM 0 HB2 ASP A 142 20.515 1.434 0.440 1.00 0.00 H new ATOM 0 HB3 ASP A 142 19.785 0.816 1.908 1.00 0.00 H new ATOM 2314 N MET A 143 17.490 -0.598 1.660 1.00 0.00 N ATOM 2315 CA MET A 143 16.579 -1.296 2.560 1.00 0.00 C ATOM 2316 C MET A 143 16.283 -2.702 2.049 1.00 0.00 C ATOM 2317 O MET A 143 16.202 -3.651 2.829 1.00 0.00 O ATOM 2318 CB MET A 143 15.275 -0.510 2.710 1.00 0.00 C ATOM 2319 CG MET A 143 15.476 0.908 3.220 1.00 0.00 C ATOM 2320 SD MET A 143 14.082 1.497 4.201 1.00 0.00 S ATOM 2321 CE MET A 143 12.705 0.873 3.241 1.00 0.00 C ATOM 0 H MET A 143 17.274 0.390 1.524 1.00 0.00 H new ATOM 0 HA MET A 143 17.060 -1.376 3.535 1.00 0.00 H new ATOM 0 HB2 MET A 143 14.770 -0.472 1.745 1.00 0.00 H new ATOM 0 HB3 MET A 143 14.615 -1.044 3.394 1.00 0.00 H new ATOM 0 HG2 MET A 143 16.383 0.948 3.824 1.00 0.00 H new ATOM 0 HG3 MET A 143 15.627 1.577 2.373 1.00 0.00 H new ATOM 0 HE1 MET A 143 11.790 1.381 3.545 1.00 0.00 H new ATOM 0 HE2 MET A 143 12.887 1.056 2.182 1.00 0.00 H new ATOM 0 HE3 MET A 143 12.599 -0.198 3.411 1.00 0.00 H new ATOM 2331 N ALA A 144 16.121 -2.829 0.736 1.00 0.00 N ATOM 2332 CA ALA A 144 15.835 -4.120 0.123 1.00 0.00 C ATOM 2333 C ALA A 144 16.951 -5.120 0.403 1.00 0.00 C ATOM 2334 O ALA A 144 16.692 -6.287 0.696 1.00 0.00 O ATOM 2335 CB ALA A 144 15.633 -3.958 -1.377 1.00 0.00 C ATOM 0 H ALA A 144 16.183 -2.053 0.076 1.00 0.00 H new ATOM 0 HA ALA A 144 14.916 -4.508 0.563 1.00 0.00 H new ATOM 0 HB1 ALA A 144 15.420 -4.930 -1.823 1.00 0.00 H new ATOM 0 HB2 ALA A 144 14.797 -3.284 -1.561 1.00 0.00 H new ATOM 0 HB3 ALA A 144 16.537 -3.545 -1.823 1.00 0.00 H new