USER MOD reduce.3.24.130724 H: found=0, std=0, add=933, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 932 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 19 ASN :FLIP amide:sc= -0.598! F(o=-13,f=-8.3!) USER MOD Set 1.2: A 90 TYR OH : rot 176:sc= 0.253 USER MOD Set 1.3: A 95 GLN : amide:sc= -7.69! C(o=-8.3!,f=-16!) USER MOD Set 1.4: A 125 THR OG1 : rot 73:sc= -0.278 USER MOD Set 2.1: A 56 CYS SG : rot -176:sc= 0.426 USER MOD Set 2.2: A 58 CYS SG : rot 90:sc= -0.704 USER MOD Set 2.3: A 116 CYS SG : rot -104:sc= 0.093 USER MOD Set 2.4: A 118 HIS : no HD1:sc= -4.45! C(o=-4.6!,f=-4.8!) USER MOD Set 3.1: A 37 ASN : amide:sc= -0.881 X(o=-0.98,f=-0.61) USER MOD Set 3.2: A 96 SER OG : rot 180:sc= -0.0967 USER MOD Set 4.1: A 11 TYR OH : rot -50:sc= 1.05 USER MOD Set 4.2: A 45 THR OG1 : rot -166:sc= 2.18 USER MOD Single : A 14 ASN : amide:sc= 0 X(o=0,f=-0.1) USER MOD Single : A 15 TYR OH : rot -50:sc= -0.171 USER MOD Single : A 16 LYS NZ :NH3+ 172:sc= -1.54! (180deg=-1.59!) USER MOD Single : A 21 HIS : no HD1:sc= -0.117 X(o=-0.12,f=-0.26) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 HIS :FLIP no HD1:sc= -3.49! C(o=-4.9!,f=-3.5!) USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=-0.018) USER MOD Single : A 30 ASN : amide:sc= -0.478 K(o=-0.48,f=-3.6!) USER MOD Single : A 31 CYS SG : rot 32:sc= -1.77 USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot -149:sc= 0.665 USER MOD Single : A 44 THR OG1 : rot 15:sc= 0.303! USER MOD Single : A 46 THR OG1 : rot 180:sc= -0.207 USER MOD Single : A 48 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 50 CYS SG : rot 180:sc= 0 USER MOD Single : A 52 THR OG1 : rot -67:sc= 0.0168 USER MOD Single : A 57 GLN : amide:sc= 0.0913 X(o=0.091,f=0) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0.0286 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 TYR OH : rot 180:sc= -0.0197 USER MOD Single : A 71 HIS : no HD1:sc=-0.00853 X(o=-0.0085,f=-0.011) USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot 39:sc= 0.0275 USER MOD Single : A 85 GLN : amide:sc= -0.16 X(o=-0.16,f=0) USER MOD Single : A 87 SER OG : rot 180:sc= -0.0527 USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 HIS : no HE2:sc= -0.585 K(o=-0.59,f=-3.9!) USER MOD Single : A 102 THR OG1 : rot 52:sc= 0.0433 USER MOD Single : A 126 MET CE :methyl -133:sc= -3.99 (180deg=-8.59!) USER MOD ----------------------------------------------------------------- ATOM 105 N ALA A 9 4.748 -1.202 6.080 1.00 0.00 N ATOM 106 CA ALA A 9 4.064 -2.120 5.178 1.00 0.00 C ATOM 107 C ALA A 9 2.911 -2.822 5.885 1.00 0.00 C ATOM 108 O ALA A 9 2.543 -2.459 7.002 1.00 0.00 O ATOM 109 CB ALA A 9 5.044 -3.141 4.624 1.00 0.00 C ATOM 0 HA ALA A 9 3.652 -1.541 4.351 1.00 0.00 H new ATOM 0 HB1 ALA A 9 4.520 -3.821 3.952 1.00 0.00 H new ATOM 0 HB2 ALA A 9 5.834 -2.627 4.077 1.00 0.00 H new ATOM 0 HB3 ALA A 9 5.481 -3.709 5.445 1.00 0.00 H new ATOM 115 N VAL A 10 2.346 -3.833 5.231 1.00 0.00 N ATOM 116 CA VAL A 10 1.236 -4.584 5.807 1.00 0.00 C ATOM 117 C VAL A 10 1.553 -6.077 5.856 1.00 0.00 C ATOM 118 O VAL A 10 1.781 -6.707 4.824 1.00 0.00 O ATOM 119 CB VAL A 10 -0.067 -4.365 5.011 1.00 0.00 C ATOM 120 CG1 VAL A 10 0.103 -4.813 3.568 1.00 0.00 C ATOM 121 CG2 VAL A 10 -1.229 -5.094 5.671 1.00 0.00 C ATOM 0 H VAL A 10 2.637 -4.150 4.306 1.00 0.00 H new ATOM 0 HA VAL A 10 1.093 -4.213 6.822 1.00 0.00 H new ATOM 0 HB VAL A 10 -0.292 -3.298 5.010 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -0.828 -4.650 3.024 1.00 0.00 H new ATOM 0 HG12 VAL A 10 0.902 -4.238 3.100 1.00 0.00 H new ATOM 0 HG13 VAL A 10 0.356 -5.873 3.544 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -2.138 -4.927 5.094 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -1.014 -6.162 5.708 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -1.367 -4.716 6.684 1.00 0.00 H new ATOM 131 N TYR A 11 1.568 -6.636 7.063 1.00 0.00 N ATOM 132 CA TYR A 11 1.861 -8.054 7.245 1.00 0.00 C ATOM 133 C TYR A 11 0.570 -8.856 7.404 1.00 0.00 C ATOM 134 O TYR A 11 -0.184 -8.656 8.356 1.00 0.00 O ATOM 135 CB TYR A 11 2.766 -8.242 8.470 1.00 0.00 C ATOM 136 CG TYR A 11 2.823 -9.663 8.993 1.00 0.00 C ATOM 137 CD1 TYR A 11 3.093 -10.727 8.144 1.00 0.00 C ATOM 138 CD2 TYR A 11 2.604 -9.934 10.338 1.00 0.00 C ATOM 139 CE1 TYR A 11 3.145 -12.023 8.621 1.00 0.00 C ATOM 140 CE2 TYR A 11 2.654 -11.227 10.822 1.00 0.00 C ATOM 141 CZ TYR A 11 2.925 -12.268 9.960 1.00 0.00 C ATOM 142 OH TYR A 11 2.975 -13.557 10.437 1.00 0.00 O ATOM 0 H TYR A 11 1.381 -6.129 7.928 1.00 0.00 H new ATOM 0 HA TYR A 11 2.380 -8.423 6.360 1.00 0.00 H new ATOM 0 HB2 TYR A 11 3.776 -7.921 8.213 1.00 0.00 H new ATOM 0 HB3 TYR A 11 2.417 -7.587 9.269 1.00 0.00 H new ATOM 0 HD1 TYR A 11 3.265 -10.539 7.094 1.00 0.00 H new ATOM 0 HD2 TYR A 11 2.391 -9.121 11.016 1.00 0.00 H new ATOM 0 HE1 TYR A 11 3.357 -12.840 7.948 1.00 0.00 H new ATOM 0 HE2 TYR A 11 2.482 -11.421 11.870 1.00 0.00 H new ATOM 0 HH TYR A 11 2.413 -14.134 9.879 1.00 0.00 H new ATOM 152 N VAL A 12 0.324 -9.764 6.464 1.00 0.00 N ATOM 153 CA VAL A 12 -0.874 -10.597 6.497 1.00 0.00 C ATOM 154 C VAL A 12 -0.524 -12.082 6.565 1.00 0.00 C ATOM 155 O VAL A 12 0.278 -12.577 5.772 1.00 0.00 O ATOM 156 CB VAL A 12 -1.765 -10.339 5.266 1.00 0.00 C ATOM 157 CG1 VAL A 12 -3.090 -11.071 5.400 1.00 0.00 C ATOM 158 CG2 VAL A 12 -1.986 -8.848 5.074 1.00 0.00 C ATOM 0 H VAL A 12 0.939 -9.942 5.670 1.00 0.00 H new ATOM 0 HA VAL A 12 -1.422 -10.325 7.399 1.00 0.00 H new ATOM 0 HB VAL A 12 -1.255 -10.725 4.383 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -3.704 -10.876 4.521 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -2.907 -12.142 5.484 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -3.611 -10.721 6.291 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -2.617 -8.683 4.201 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -2.474 -8.436 5.957 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -1.026 -8.354 4.926 1.00 0.00 H new ATOM 168 N GLY A 13 -1.140 -12.789 7.509 1.00 0.00 N ATOM 169 CA GLY A 13 -0.892 -14.216 7.662 1.00 0.00 C ATOM 170 C GLY A 13 0.583 -14.573 7.621 1.00 0.00 C ATOM 171 O GLY A 13 1.376 -14.050 8.403 1.00 0.00 O ATOM 0 H GLY A 13 -1.809 -12.399 8.173 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -1.315 -14.552 8.609 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -1.412 -14.756 6.871 1.00 0.00 H new ATOM 175 N ASN A 14 0.949 -15.468 6.708 1.00 0.00 N ATOM 176 CA ASN A 14 2.338 -15.896 6.566 1.00 0.00 C ATOM 177 C ASN A 14 3.023 -15.160 5.415 1.00 0.00 C ATOM 178 O ASN A 14 4.046 -15.609 4.901 1.00 0.00 O ATOM 179 CB ASN A 14 2.406 -17.406 6.333 1.00 0.00 C ATOM 180 CG ASN A 14 1.764 -18.195 7.457 1.00 0.00 C ATOM 181 OD1 ASN A 14 2.346 -18.352 8.531 1.00 0.00 O ATOM 182 ND2 ASN A 14 0.559 -18.697 7.216 1.00 0.00 N ATOM 0 H ASN A 14 0.303 -15.911 6.055 1.00 0.00 H new ATOM 0 HA ASN A 14 2.862 -15.653 7.490 1.00 0.00 H new ATOM 0 HB2 ASN A 14 1.910 -17.648 5.393 1.00 0.00 H new ATOM 0 HB3 ASN A 14 3.448 -17.708 6.230 1.00 0.00 H new ATOM 0 HD21 ASN A 14 0.078 -19.237 7.935 1.00 0.00 H new ATOM 0 HD22 ASN A 14 0.114 -18.542 6.311 1.00 0.00 H new ATOM 189 N TYR A 15 2.450 -14.027 5.023 1.00 0.00 N ATOM 190 CA TYR A 15 2.994 -13.213 3.941 1.00 0.00 C ATOM 191 C TYR A 15 3.105 -11.758 4.385 1.00 0.00 C ATOM 192 O TYR A 15 2.338 -11.300 5.230 1.00 0.00 O ATOM 193 CB TYR A 15 2.092 -13.294 2.707 1.00 0.00 C ATOM 194 CG TYR A 15 2.203 -14.586 1.927 1.00 0.00 C ATOM 195 CD1 TYR A 15 3.383 -15.322 1.900 1.00 0.00 C ATOM 196 CD2 TYR A 15 1.115 -15.070 1.216 1.00 0.00 C ATOM 197 CE1 TYR A 15 3.468 -16.501 1.186 1.00 0.00 C ATOM 198 CE2 TYR A 15 1.194 -16.249 0.504 1.00 0.00 C ATOM 199 CZ TYR A 15 2.373 -16.961 0.491 1.00 0.00 C ATOM 200 OH TYR A 15 2.456 -18.137 -0.217 1.00 0.00 O ATOM 0 H TYR A 15 1.601 -13.649 5.443 1.00 0.00 H new ATOM 0 HA TYR A 15 3.983 -13.595 3.689 1.00 0.00 H new ATOM 0 HB2 TYR A 15 1.057 -13.163 3.021 1.00 0.00 H new ATOM 0 HB3 TYR A 15 2.331 -12.463 2.043 1.00 0.00 H new ATOM 0 HD1 TYR A 15 4.245 -14.966 2.445 1.00 0.00 H new ATOM 0 HD2 TYR A 15 0.189 -14.514 1.220 1.00 0.00 H new ATOM 0 HE1 TYR A 15 4.392 -17.061 1.173 1.00 0.00 H new ATOM 0 HE2 TYR A 15 0.335 -16.612 -0.041 1.00 0.00 H new ATOM 0 HH TYR A 15 3.253 -18.120 -0.787 1.00 0.00 H new ATOM 210 N LYS A 16 4.050 -11.031 3.804 1.00 0.00 N ATOM 211 CA LYS A 16 4.237 -9.625 4.138 1.00 0.00 C ATOM 212 C LYS A 16 4.508 -8.815 2.878 1.00 0.00 C ATOM 213 O LYS A 16 5.531 -9.008 2.219 1.00 0.00 O ATOM 214 CB LYS A 16 5.394 -9.460 5.126 1.00 0.00 C ATOM 215 CG LYS A 16 5.486 -8.067 5.728 1.00 0.00 C ATOM 216 CD LYS A 16 6.528 -7.217 5.015 1.00 0.00 C ATOM 217 CE LYS A 16 7.461 -6.533 6.001 1.00 0.00 C ATOM 218 NZ LYS A 16 7.838 -5.165 5.552 1.00 0.00 N ATOM 0 H LYS A 16 4.697 -11.390 3.102 1.00 0.00 H new ATOM 0 HA LYS A 16 3.323 -9.257 4.604 1.00 0.00 H new ATOM 0 HB2 LYS A 16 5.281 -10.187 5.930 1.00 0.00 H new ATOM 0 HB3 LYS A 16 6.330 -9.690 4.618 1.00 0.00 H new ATOM 0 HG2 LYS A 16 4.513 -7.579 5.667 1.00 0.00 H new ATOM 0 HG3 LYS A 16 5.739 -8.143 6.786 1.00 0.00 H new ATOM 0 HD2 LYS A 16 7.109 -7.844 4.338 1.00 0.00 H new ATOM 0 HD3 LYS A 16 6.029 -6.465 4.404 1.00 0.00 H new ATOM 0 HE2 LYS A 16 6.978 -6.475 6.977 1.00 0.00 H new ATOM 0 HE3 LYS A 16 8.361 -7.135 6.126 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 8.362 -4.683 6.310 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 8.438 -5.231 4.705 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 6.979 -4.624 5.327 1.00 0.00 H new ATOM 232 N VAL A 17 3.592 -7.912 2.536 1.00 0.00 N ATOM 233 CA VAL A 17 3.762 -7.096 1.340 1.00 0.00 C ATOM 234 C VAL A 17 4.224 -5.682 1.691 1.00 0.00 C ATOM 235 O VAL A 17 3.560 -4.959 2.440 1.00 0.00 O ATOM 236 CB VAL A 17 2.469 -7.052 0.473 1.00 0.00 C ATOM 237 CG1 VAL A 17 1.557 -8.228 0.794 1.00 0.00 C ATOM 238 CG2 VAL A 17 1.711 -5.741 0.639 1.00 0.00 C ATOM 0 H VAL A 17 2.737 -7.729 3.062 1.00 0.00 H new ATOM 0 HA VAL A 17 4.541 -7.572 0.744 1.00 0.00 H new ATOM 0 HB VAL A 17 2.785 -7.123 -0.568 1.00 0.00 H new ATOM 0 HG11 VAL A 17 0.661 -8.173 0.175 1.00 0.00 H new ATOM 0 HG12 VAL A 17 2.082 -9.161 0.591 1.00 0.00 H new ATOM 0 HG13 VAL A 17 1.274 -8.192 1.846 1.00 0.00 H new ATOM 0 HG21 VAL A 17 0.817 -5.756 0.016 1.00 0.00 H new ATOM 0 HG22 VAL A 17 1.423 -5.617 1.683 1.00 0.00 H new ATOM 0 HG23 VAL A 17 2.350 -4.911 0.337 1.00 0.00 H new ATOM 248 N VAL A 18 5.371 -5.303 1.136 1.00 0.00 N ATOM 249 CA VAL A 18 5.947 -3.984 1.363 1.00 0.00 C ATOM 250 C VAL A 18 6.465 -3.391 0.055 1.00 0.00 C ATOM 251 O VAL A 18 6.701 -4.116 -0.913 1.00 0.00 O ATOM 252 CB VAL A 18 7.098 -4.044 2.390 1.00 0.00 C ATOM 253 CG1 VAL A 18 8.194 -4.982 1.913 1.00 0.00 C ATOM 254 CG2 VAL A 18 7.659 -2.657 2.655 1.00 0.00 C ATOM 0 H VAL A 18 5.924 -5.899 0.520 1.00 0.00 H new ATOM 0 HA VAL A 18 5.157 -3.347 1.761 1.00 0.00 H new ATOM 0 HB VAL A 18 6.697 -4.433 3.326 1.00 0.00 H new ATOM 0 HG11 VAL A 18 8.996 -5.010 2.651 1.00 0.00 H new ATOM 0 HG12 VAL A 18 7.785 -5.984 1.784 1.00 0.00 H new ATOM 0 HG13 VAL A 18 8.589 -4.626 0.962 1.00 0.00 H new ATOM 0 HG21 VAL A 18 8.469 -2.725 3.382 1.00 0.00 H new ATOM 0 HG22 VAL A 18 8.040 -2.235 1.725 1.00 0.00 H new ATOM 0 HG23 VAL A 18 6.871 -2.015 3.049 1.00 0.00 H new ATOM 264 N ASN A 19 6.653 -2.076 0.031 1.00 0.00 N ATOM 265 CA ASN A 19 7.157 -1.405 -1.161 1.00 0.00 C ATOM 266 C ASN A 19 8.570 -1.887 -1.481 1.00 0.00 C ATOM 267 O ASN A 19 9.383 -2.085 -0.579 1.00 0.00 O ATOM 268 CB ASN A 19 7.154 0.112 -0.961 1.00 0.00 C ATOM 269 CG ASN A 19 5.871 0.758 -1.445 1.00 0.00 C ATOM 270 OD1 ASN A 19 5.610 0.657 -2.742 1.00 0.00 O flip ATOM 271 ND2 ASN A 19 5.122 1.341 -0.661 1.00 0.00 N flip ATOM 0 H ASN A 19 6.465 -1.456 0.819 1.00 0.00 H new ATOM 0 HA ASN A 19 6.503 -1.649 -1.998 1.00 0.00 H new ATOM 0 HB2 ASN A 19 7.294 0.336 0.097 1.00 0.00 H new ATOM 0 HB3 ASN A 19 8.000 0.547 -1.493 1.00 0.00 H new ATOM 0 HD21 ASN A 19 5.362 1.395 0.329 1.00 0.00 H new ATOM 0 HD22 ASN A 19 4.262 1.770 -1.001 1.00 0.00 H new ATOM 278 N ARG A 20 8.857 -2.079 -2.765 1.00 0.00 N ATOM 279 CA ARG A 20 10.175 -2.547 -3.186 1.00 0.00 C ATOM 280 C ARG A 20 11.272 -1.609 -2.690 1.00 0.00 C ATOM 281 O ARG A 20 12.341 -2.056 -2.274 1.00 0.00 O ATOM 282 CB ARG A 20 10.240 -2.680 -4.710 1.00 0.00 C ATOM 283 CG ARG A 20 9.863 -1.411 -5.460 1.00 0.00 C ATOM 284 CD ARG A 20 11.002 -0.924 -6.342 1.00 0.00 C ATOM 285 NE ARG A 20 10.991 -1.567 -7.652 1.00 0.00 N ATOM 286 CZ ARG A 20 12.057 -1.657 -8.445 1.00 0.00 C ATOM 287 NH1 ARG A 20 13.221 -1.141 -8.067 1.00 0.00 N ATOM 288 NH2 ARG A 20 11.961 -2.264 -9.620 1.00 0.00 N ATOM 0 H ARG A 20 8.200 -1.919 -3.528 1.00 0.00 H new ATOM 0 HA ARG A 20 10.338 -3.530 -2.743 1.00 0.00 H new ATOM 0 HB2 ARG A 20 11.251 -2.972 -4.996 1.00 0.00 H new ATOM 0 HB3 ARG A 20 9.575 -3.485 -5.023 1.00 0.00 H new ATOM 0 HG2 ARG A 20 8.981 -1.598 -6.073 1.00 0.00 H new ATOM 0 HG3 ARG A 20 9.595 -0.632 -4.747 1.00 0.00 H new ATOM 0 HD2 ARG A 20 10.927 0.156 -6.467 1.00 0.00 H new ATOM 0 HD3 ARG A 20 11.953 -1.122 -5.848 1.00 0.00 H new ATOM 0 HE ARG A 20 10.114 -1.972 -7.980 1.00 0.00 H new ATOM 0 HH11 ARG A 20 13.302 -0.672 -7.165 1.00 0.00 H new ATOM 0 HH12 ARG A 20 14.034 -1.213 -8.679 1.00 0.00 H new ATOM 0 HH21 ARG A 20 11.070 -2.662 -9.917 1.00 0.00 H new ATOM 0 HH22 ARG A 20 12.778 -2.333 -10.227 1.00 0.00 H new ATOM 302 N HIS A 21 11.001 -0.311 -2.723 1.00 0.00 N ATOM 303 CA HIS A 21 11.967 0.679 -2.266 1.00 0.00 C ATOM 304 C HIS A 21 12.143 0.617 -0.749 1.00 0.00 C ATOM 305 O HIS A 21 13.047 1.241 -0.196 1.00 0.00 O ATOM 306 CB HIS A 21 11.527 2.084 -2.685 1.00 0.00 C ATOM 307 CG HIS A 21 12.599 2.862 -3.384 1.00 0.00 C ATOM 308 ND1 HIS A 21 12.956 4.144 -3.022 1.00 0.00 N ATOM 309 CD2 HIS A 21 13.395 2.532 -4.429 1.00 0.00 C ATOM 310 CE1 HIS A 21 13.924 4.569 -3.814 1.00 0.00 C ATOM 311 NE2 HIS A 21 14.209 3.610 -4.675 1.00 0.00 N ATOM 0 H HIS A 21 10.122 0.080 -3.061 1.00 0.00 H new ATOM 0 HA HIS A 21 12.926 0.452 -2.731 1.00 0.00 H new ATOM 0 HB2 HIS A 21 10.660 2.004 -3.341 1.00 0.00 H new ATOM 0 HB3 HIS A 21 11.207 2.635 -1.800 1.00 0.00 H new ATOM 0 HD2 HIS A 21 13.390 1.596 -4.968 1.00 0.00 H new ATOM 0 HE1 HIS A 21 14.401 5.537 -3.765 1.00 0.00 H new ATOM 0 HE2 HIS A 21 14.919 3.661 -5.405 1.00 0.00 H new ATOM 320 N LEU A 22 11.270 -0.136 -0.080 1.00 0.00 N ATOM 321 CA LEU A 22 11.333 -0.269 1.371 1.00 0.00 C ATOM 322 C LEU A 22 11.717 -1.687 1.793 1.00 0.00 C ATOM 323 O LEU A 22 11.937 -1.944 2.977 1.00 0.00 O ATOM 324 CB LEU A 22 9.988 0.107 1.992 1.00 0.00 C ATOM 325 CG LEU A 22 10.073 0.808 3.351 1.00 0.00 C ATOM 326 CD1 LEU A 22 9.819 2.300 3.201 1.00 0.00 C ATOM 327 CD2 LEU A 22 9.087 0.193 4.333 1.00 0.00 C ATOM 0 H LEU A 22 10.514 -0.661 -0.520 1.00 0.00 H new ATOM 0 HA LEU A 22 12.106 0.410 1.730 1.00 0.00 H new ATOM 0 HB2 LEU A 22 9.454 0.757 1.298 1.00 0.00 H new ATOM 0 HB3 LEU A 22 9.391 -0.798 2.104 1.00 0.00 H new ATOM 0 HG LEU A 22 11.080 0.670 3.745 1.00 0.00 H new ATOM 0 HD11 LEU A 22 9.884 2.780 4.177 1.00 0.00 H new ATOM 0 HD12 LEU A 22 10.566 2.731 2.534 1.00 0.00 H new ATOM 0 HD13 LEU A 22 8.825 2.460 2.783 1.00 0.00 H new ATOM 0 HD21 LEU A 22 9.162 0.704 5.293 1.00 0.00 H new ATOM 0 HD22 LEU A 22 8.074 0.297 3.945 1.00 0.00 H new ATOM 0 HD23 LEU A 22 9.317 -0.864 4.466 1.00 0.00 H new ATOM 339 N ALA A 23 11.796 -2.609 0.834 1.00 0.00 N ATOM 340 CA ALA A 23 12.153 -3.984 1.141 1.00 0.00 C ATOM 341 C ALA A 23 13.660 -4.132 1.300 1.00 0.00 C ATOM 342 O ALA A 23 14.434 -3.394 0.691 1.00 0.00 O ATOM 343 CB ALA A 23 11.634 -4.918 0.058 1.00 0.00 C ATOM 0 H ALA A 23 11.618 -2.426 -0.154 1.00 0.00 H new ATOM 0 HA ALA A 23 11.687 -4.256 2.088 1.00 0.00 H new ATOM 0 HB1 ALA A 23 11.909 -5.945 0.301 1.00 0.00 H new ATOM 0 HB2 ALA A 23 10.549 -4.837 -0.003 1.00 0.00 H new ATOM 0 HB3 ALA A 23 12.072 -4.642 -0.901 1.00 0.00 H new ATOM 349 N THR A 24 14.072 -5.086 2.123 1.00 0.00 N ATOM 350 CA THR A 24 15.487 -5.332 2.358 1.00 0.00 C ATOM 351 C THR A 24 15.939 -6.576 1.602 1.00 0.00 C ATOM 352 O THR A 24 15.116 -7.329 1.080 1.00 0.00 O ATOM 353 CB THR A 24 15.760 -5.501 3.854 1.00 0.00 C ATOM 354 OG1 THR A 24 15.159 -6.687 4.344 1.00 0.00 O ATOM 355 CG2 THR A 24 15.245 -4.348 4.688 1.00 0.00 C ATOM 0 H THR A 24 13.445 -5.703 2.640 1.00 0.00 H new ATOM 0 HA THR A 24 16.051 -4.473 1.995 1.00 0.00 H new ATOM 0 HB THR A 24 16.845 -5.542 3.947 1.00 0.00 H new ATOM 0 HG1 THR A 24 15.347 -6.777 5.302 1.00 0.00 H new ATOM 0 HG21 THR A 24 15.470 -4.530 5.739 1.00 0.00 H new ATOM 0 HG22 THR A 24 15.727 -3.424 4.368 1.00 0.00 H new ATOM 0 HG23 THR A 24 14.166 -4.259 4.559 1.00 0.00 H new ATOM 363 N HIS A 25 17.249 -6.792 1.546 1.00 0.00 N ATOM 364 CA HIS A 25 17.801 -7.951 0.853 1.00 0.00 C ATOM 365 C HIS A 25 17.178 -9.241 1.381 1.00 0.00 C ATOM 366 O HIS A 25 17.053 -10.227 0.654 1.00 0.00 O ATOM 367 CB HIS A 25 19.322 -7.997 1.016 1.00 0.00 C ATOM 368 CG HIS A 25 19.771 -8.131 2.439 1.00 0.00 C ATOM 369 ND1 HIS A 25 19.236 -7.650 3.587 1.00 0.00 N flip ATOM 370 CD2 HIS A 25 20.903 -8.827 2.808 1.00 0.00 C flip ATOM 371 CE1 HIS A 25 20.047 -8.062 4.616 1.00 0.00 C flip ATOM 372 NE2 HIS A 25 21.045 -8.770 4.121 1.00 0.00 N flip ATOM 0 H HIS A 25 17.947 -6.181 1.971 1.00 0.00 H new ATOM 0 HA HIS A 25 17.564 -7.859 -0.207 1.00 0.00 H new ATOM 0 HB2 HIS A 25 19.715 -8.835 0.440 1.00 0.00 H new ATOM 0 HB3 HIS A 25 19.752 -7.089 0.593 1.00 0.00 H new ATOM 0 HD2 HIS A 25 21.570 -9.339 2.130 1.00 0.00 H new ATOM 0 HE1 HIS A 25 19.893 -7.842 5.662 1.00 0.00 H new ATOM 0 HE2 HIS A 25 21.797 -9.200 4.660 1.00 0.00 H new ATOM 381 N VAL A 26 16.787 -9.220 2.650 1.00 0.00 N ATOM 382 CA VAL A 26 16.174 -10.377 3.287 1.00 0.00 C ATOM 383 C VAL A 26 14.737 -10.575 2.813 1.00 0.00 C ATOM 384 O VAL A 26 14.251 -11.706 2.738 1.00 0.00 O ATOM 385 CB VAL A 26 16.179 -10.241 4.821 1.00 0.00 C ATOM 386 CG1 VAL A 26 15.722 -11.536 5.473 1.00 0.00 C ATOM 387 CG2 VAL A 26 17.561 -9.844 5.317 1.00 0.00 C ATOM 0 H VAL A 26 16.885 -8.409 3.260 1.00 0.00 H new ATOM 0 HA VAL A 26 16.770 -11.244 3.001 1.00 0.00 H new ATOM 0 HB VAL A 26 15.478 -9.454 5.100 1.00 0.00 H new ATOM 0 HG11 VAL A 26 15.732 -11.421 6.557 1.00 0.00 H new ATOM 0 HG12 VAL A 26 14.711 -11.773 5.143 1.00 0.00 H new ATOM 0 HG13 VAL A 26 16.395 -12.344 5.188 1.00 0.00 H new ATOM 0 HG21 VAL A 26 17.545 -9.753 6.403 1.00 0.00 H new ATOM 0 HG22 VAL A 26 18.284 -10.606 5.027 1.00 0.00 H new ATOM 0 HG23 VAL A 26 17.845 -8.888 4.877 1.00 0.00 H new ATOM 397 N ASP A 27 14.057 -9.477 2.488 1.00 0.00 N ATOM 398 CA ASP A 27 12.684 -9.550 2.022 1.00 0.00 C ATOM 399 C ASP A 27 12.645 -10.229 0.670 1.00 0.00 C ATOM 400 O ASP A 27 11.809 -11.094 0.419 1.00 0.00 O ATOM 401 CB ASP A 27 12.071 -8.146 1.929 1.00 0.00 C ATOM 402 CG ASP A 27 11.056 -7.887 3.025 1.00 0.00 C ATOM 403 OD1 ASP A 27 10.229 -8.784 3.293 1.00 0.00 O ATOM 404 OD2 ASP A 27 11.086 -6.786 3.613 1.00 0.00 O ATOM 0 H ASP A 27 14.437 -8.532 2.540 1.00 0.00 H new ATOM 0 HA ASP A 27 12.098 -10.131 2.734 1.00 0.00 H new ATOM 0 HB2 ASP A 27 12.864 -7.401 1.988 1.00 0.00 H new ATOM 0 HB3 ASP A 27 11.592 -8.025 0.957 1.00 0.00 H new ATOM 409 N TRP A 28 13.573 -9.837 -0.194 1.00 0.00 N ATOM 410 CA TRP A 28 13.659 -10.419 -1.517 1.00 0.00 C ATOM 411 C TRP A 28 14.234 -11.828 -1.454 1.00 0.00 C ATOM 412 O TRP A 28 13.905 -12.682 -2.277 1.00 0.00 O ATOM 413 CB TRP A 28 14.487 -9.532 -2.448 1.00 0.00 C ATOM 414 CG TRP A 28 13.776 -8.269 -2.819 1.00 0.00 C ATOM 415 CD1 TRP A 28 12.701 -8.147 -3.653 1.00 0.00 C ATOM 416 CD2 TRP A 28 14.078 -6.951 -2.357 1.00 0.00 C ATOM 417 NE1 TRP A 28 12.317 -6.831 -3.735 1.00 0.00 N ATOM 418 CE2 TRP A 28 13.146 -6.076 -2.947 1.00 0.00 C ATOM 419 CE3 TRP A 28 15.046 -6.425 -1.501 1.00 0.00 C ATOM 420 CZ2 TRP A 28 13.155 -4.705 -2.703 1.00 0.00 C ATOM 421 CZ3 TRP A 28 15.054 -5.067 -1.263 1.00 0.00 C ATOM 422 CH2 TRP A 28 14.113 -4.220 -1.859 1.00 0.00 C ATOM 0 H TRP A 28 14.272 -9.121 0.002 1.00 0.00 H new ATOM 0 HA TRP A 28 12.650 -10.486 -1.924 1.00 0.00 H new ATOM 0 HB2 TRP A 28 15.432 -9.284 -1.964 1.00 0.00 H new ATOM 0 HB3 TRP A 28 14.729 -10.088 -3.354 1.00 0.00 H new ATOM 0 HD1 TRP A 28 12.223 -8.965 -4.172 1.00 0.00 H new ATOM 0 HE1 TRP A 28 11.541 -6.474 -4.292 1.00 0.00 H new ATOM 0 HE3 TRP A 28 15.776 -7.070 -1.033 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 12.431 -4.049 -3.164 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 15.801 -4.649 -0.604 1.00 0.00 H new ATOM 0 HH2 TRP A 28 14.145 -3.161 -1.647 1.00 0.00 H new ATOM 433 N GLN A 29 15.091 -12.064 -0.465 1.00 0.00 N ATOM 434 CA GLN A 29 15.710 -13.372 -0.282 1.00 0.00 C ATOM 435 C GLN A 29 14.643 -14.445 -0.100 1.00 0.00 C ATOM 436 O GLN A 29 14.722 -15.523 -0.689 1.00 0.00 O ATOM 437 CB GLN A 29 16.646 -13.350 0.929 1.00 0.00 C ATOM 438 CG GLN A 29 17.321 -14.683 1.203 1.00 0.00 C ATOM 439 CD GLN A 29 18.337 -15.052 0.141 1.00 0.00 C ATOM 440 OE1 GLN A 29 17.995 -15.642 -0.884 1.00 0.00 O ATOM 441 NE2 GLN A 29 19.596 -14.704 0.380 1.00 0.00 N ATOM 0 H GLN A 29 15.373 -11.365 0.223 1.00 0.00 H new ATOM 0 HA GLN A 29 16.292 -13.607 -1.173 1.00 0.00 H new ATOM 0 HB2 GLN A 29 17.412 -12.591 0.771 1.00 0.00 H new ATOM 0 HB3 GLN A 29 16.078 -13.052 1.811 1.00 0.00 H new ATOM 0 HG2 GLN A 29 17.814 -14.643 2.174 1.00 0.00 H new ATOM 0 HG3 GLN A 29 16.563 -15.464 1.262 1.00 0.00 H new ATOM 0 HE21 GLN A 29 19.835 -14.216 1.243 1.00 0.00 H new ATOM 0 HE22 GLN A 29 20.324 -14.925 -0.300 1.00 0.00 H new ATOM 450 N ASN A 30 13.640 -14.136 0.716 1.00 0.00 N ATOM 451 CA ASN A 30 12.546 -15.066 0.971 1.00 0.00 C ATOM 452 C ASN A 30 11.247 -14.543 0.366 1.00 0.00 C ATOM 453 O ASN A 30 10.158 -14.828 0.864 1.00 0.00 O ATOM 454 CB ASN A 30 12.372 -15.282 2.476 1.00 0.00 C ATOM 455 CG ASN A 30 13.610 -15.872 3.123 1.00 0.00 C ATOM 456 OD1 ASN A 30 14.725 -15.399 2.899 1.00 0.00 O ATOM 457 ND2 ASN A 30 13.420 -16.910 3.928 1.00 0.00 N ATOM 0 H ASN A 30 13.562 -13.248 1.212 1.00 0.00 H new ATOM 0 HA ASN A 30 12.790 -16.020 0.503 1.00 0.00 H new ATOM 0 HB2 ASN A 30 12.135 -14.330 2.952 1.00 0.00 H new ATOM 0 HB3 ASN A 30 11.524 -15.945 2.649 1.00 0.00 H new ATOM 0 HD21 ASN A 30 14.216 -17.349 4.390 1.00 0.00 H new ATOM 0 HD22 ASN A 30 12.478 -17.268 4.084 1.00 0.00 H new ATOM 464 N CYS A 31 11.374 -13.771 -0.710 1.00 0.00 N ATOM 465 CA CYS A 31 10.217 -13.197 -1.386 1.00 0.00 C ATOM 466 C CYS A 31 9.550 -14.220 -2.301 1.00 0.00 C ATOM 467 O CYS A 31 10.219 -14.940 -3.041 1.00 0.00 O ATOM 468 CB CYS A 31 10.637 -11.964 -2.193 1.00 0.00 C ATOM 469 SG CYS A 31 9.368 -11.334 -3.321 1.00 0.00 S ATOM 0 H CYS A 31 12.270 -13.529 -1.133 1.00 0.00 H new ATOM 0 HA CYS A 31 9.494 -12.900 -0.626 1.00 0.00 H new ATOM 0 HB2 CYS A 31 10.915 -11.170 -1.500 1.00 0.00 H new ATOM 0 HB3 CYS A 31 11.528 -12.210 -2.770 1.00 0.00 H new ATOM 0 HG CYS A 31 8.191 -11.553 -2.815 1.00 0.00 H new ATOM 475 N VAL A 32 8.223 -14.263 -2.251 1.00 0.00 N ATOM 476 CA VAL A 32 7.453 -15.178 -3.079 1.00 0.00 C ATOM 477 C VAL A 32 7.000 -14.493 -4.364 1.00 0.00 C ATOM 478 O VAL A 32 7.036 -15.090 -5.441 1.00 0.00 O ATOM 479 CB VAL A 32 6.209 -15.713 -2.337 1.00 0.00 C ATOM 480 CG1 VAL A 32 6.607 -16.663 -1.220 1.00 0.00 C ATOM 481 CG2 VAL A 32 5.379 -14.567 -1.784 1.00 0.00 C ATOM 0 H VAL A 32 7.658 -13.671 -1.642 1.00 0.00 H new ATOM 0 HA VAL A 32 8.109 -16.015 -3.316 1.00 0.00 H new ATOM 0 HB VAL A 32 5.604 -16.265 -3.056 1.00 0.00 H new ATOM 0 HG11 VAL A 32 5.712 -17.025 -0.714 1.00 0.00 H new ATOM 0 HG12 VAL A 32 7.154 -17.508 -1.639 1.00 0.00 H new ATOM 0 HG13 VAL A 32 7.241 -16.139 -0.505 1.00 0.00 H new ATOM 0 HG21 VAL A 32 4.507 -14.966 -1.265 1.00 0.00 H new ATOM 0 HG22 VAL A 32 5.981 -13.985 -1.087 1.00 0.00 H new ATOM 0 HG23 VAL A 32 5.052 -13.926 -2.603 1.00 0.00 H new ATOM 491 N TRP A 33 6.562 -13.239 -4.248 1.00 0.00 N ATOM 492 CA TRP A 33 6.092 -12.490 -5.414 1.00 0.00 C ATOM 493 C TRP A 33 6.560 -11.033 -5.371 1.00 0.00 C ATOM 494 O TRP A 33 6.792 -10.475 -4.301 1.00 0.00 O ATOM 495 CB TRP A 33 4.561 -12.574 -5.498 1.00 0.00 C ATOM 496 CG TRP A 33 3.900 -11.370 -6.103 1.00 0.00 C ATOM 497 CD1 TRP A 33 3.393 -11.252 -7.365 1.00 0.00 C ATOM 498 CD2 TRP A 33 3.676 -10.113 -5.461 1.00 0.00 C ATOM 499 NE1 TRP A 33 2.864 -9.994 -7.544 1.00 0.00 N ATOM 500 CE2 TRP A 33 3.028 -9.277 -6.388 1.00 0.00 C ATOM 501 CE3 TRP A 33 3.961 -9.616 -4.190 1.00 0.00 C ATOM 502 CZ2 TRP A 33 2.662 -7.969 -6.077 1.00 0.00 C ATOM 503 CZ3 TRP A 33 3.600 -8.320 -3.884 1.00 0.00 C ATOM 504 CH2 TRP A 33 2.955 -7.510 -4.825 1.00 0.00 C ATOM 0 H TRP A 33 6.523 -12.725 -3.368 1.00 0.00 H new ATOM 0 HA TRP A 33 6.522 -12.938 -6.310 1.00 0.00 H new ATOM 0 HB2 TRP A 33 4.290 -13.453 -6.083 1.00 0.00 H new ATOM 0 HB3 TRP A 33 4.163 -12.724 -4.494 1.00 0.00 H new ATOM 0 HD1 TRP A 33 3.405 -12.031 -8.113 1.00 0.00 H new ATOM 0 HE1 TRP A 33 2.422 -9.652 -8.397 1.00 0.00 H new ATOM 0 HE3 TRP A 33 4.456 -10.235 -3.457 1.00 0.00 H new ATOM 0 HZ2 TRP A 33 2.164 -7.341 -6.801 1.00 0.00 H new ATOM 0 HZ3 TRP A 33 3.819 -7.925 -2.903 1.00 0.00 H new ATOM 0 HH2 TRP A 33 2.683 -6.500 -4.555 1.00 0.00 H new ATOM 515 N GLU A 34 6.690 -10.424 -6.549 1.00 0.00 N ATOM 516 CA GLU A 34 7.123 -9.032 -6.651 1.00 0.00 C ATOM 517 C GLU A 34 6.829 -8.470 -8.042 1.00 0.00 C ATOM 518 O GLU A 34 7.435 -8.884 -9.030 1.00 0.00 O ATOM 519 CB GLU A 34 8.620 -8.920 -6.348 1.00 0.00 C ATOM 520 CG GLU A 34 9.165 -7.507 -6.477 1.00 0.00 C ATOM 521 CD GLU A 34 9.960 -7.302 -7.752 1.00 0.00 C ATOM 522 OE1 GLU A 34 10.617 -8.265 -8.203 1.00 0.00 O ATOM 523 OE2 GLU A 34 9.926 -6.181 -8.299 1.00 0.00 O ATOM 0 H GLU A 34 6.502 -10.873 -7.445 1.00 0.00 H new ATOM 0 HA GLU A 34 6.565 -8.448 -5.919 1.00 0.00 H new ATOM 0 HB2 GLU A 34 8.805 -9.280 -5.336 1.00 0.00 H new ATOM 0 HB3 GLU A 34 9.169 -9.575 -7.025 1.00 0.00 H new ATOM 0 HG2 GLU A 34 8.337 -6.799 -6.452 1.00 0.00 H new ATOM 0 HG3 GLU A 34 9.799 -7.287 -5.618 1.00 0.00 H new ATOM 530 N ASP A 35 5.891 -7.526 -8.110 1.00 0.00 N ATOM 531 CA ASP A 35 5.517 -6.912 -9.383 1.00 0.00 C ATOM 532 C ASP A 35 6.041 -5.480 -9.486 1.00 0.00 C ATOM 533 O ASP A 35 5.796 -4.648 -8.607 1.00 0.00 O ATOM 534 CB ASP A 35 3.997 -6.923 -9.551 1.00 0.00 C ATOM 535 CG ASP A 35 3.294 -6.082 -8.507 1.00 0.00 C ATOM 536 OD1 ASP A 35 3.911 -5.801 -7.457 1.00 0.00 O ATOM 537 OD2 ASP A 35 2.126 -5.705 -8.735 1.00 0.00 O ATOM 0 H ASP A 35 5.378 -7.171 -7.303 1.00 0.00 H new ATOM 0 HA ASP A 35 5.972 -7.499 -10.181 1.00 0.00 H new ATOM 0 HB2 ASP A 35 3.741 -6.553 -10.544 1.00 0.00 H new ATOM 0 HB3 ASP A 35 3.635 -7.949 -9.491 1.00 0.00 H new ATOM 542 N TYR A 36 6.762 -5.204 -10.570 1.00 0.00 N ATOM 543 CA TYR A 36 7.328 -3.880 -10.805 1.00 0.00 C ATOM 544 C TYR A 36 6.235 -2.849 -11.068 1.00 0.00 C ATOM 545 O TYR A 36 6.361 -1.688 -10.677 1.00 0.00 O ATOM 546 CB TYR A 36 8.302 -3.919 -11.985 1.00 0.00 C ATOM 547 CG TYR A 36 7.771 -4.668 -13.186 1.00 0.00 C ATOM 548 CD1 TYR A 36 6.840 -4.083 -14.037 1.00 0.00 C ATOM 549 CD2 TYR A 36 8.200 -5.959 -13.471 1.00 0.00 C ATOM 550 CE1 TYR A 36 6.352 -4.764 -15.136 1.00 0.00 C ATOM 551 CE2 TYR A 36 7.716 -6.646 -14.567 1.00 0.00 C ATOM 552 CZ TYR A 36 6.793 -6.044 -15.397 1.00 0.00 C ATOM 553 OH TYR A 36 6.309 -6.726 -16.490 1.00 0.00 O ATOM 0 H TYR A 36 6.968 -5.884 -11.302 1.00 0.00 H new ATOM 0 HA TYR A 36 7.867 -3.584 -9.905 1.00 0.00 H new ATOM 0 HB2 TYR A 36 8.541 -2.898 -12.281 1.00 0.00 H new ATOM 0 HB3 TYR A 36 9.233 -4.383 -11.661 1.00 0.00 H new ATOM 0 HD1 TYR A 36 6.493 -3.080 -13.836 1.00 0.00 H new ATOM 0 HD2 TYR A 36 8.924 -6.433 -12.825 1.00 0.00 H new ATOM 0 HE1 TYR A 36 5.629 -4.296 -15.787 1.00 0.00 H new ATOM 0 HE2 TYR A 36 8.058 -7.649 -14.773 1.00 0.00 H new ATOM 0 HH TYR A 36 6.722 -7.614 -16.531 1.00 0.00 H new ATOM 563 N ASN A 37 5.161 -3.274 -11.728 1.00 0.00 N ATOM 564 CA ASN A 37 4.053 -2.379 -12.030 1.00 0.00 C ATOM 565 C ASN A 37 3.455 -1.814 -10.747 1.00 0.00 C ATOM 566 O ASN A 37 2.825 -0.758 -10.756 1.00 0.00 O ATOM 567 CB ASN A 37 2.976 -3.116 -12.828 1.00 0.00 C ATOM 568 CG ASN A 37 2.493 -4.371 -12.126 1.00 0.00 C ATOM 569 OD1 ASN A 37 1.731 -4.301 -11.162 1.00 0.00 O ATOM 570 ND2 ASN A 37 2.936 -5.526 -12.606 1.00 0.00 N ATOM 0 H ASN A 37 5.037 -4.230 -12.062 1.00 0.00 H new ATOM 0 HA ASN A 37 4.435 -1.553 -12.630 1.00 0.00 H new ATOM 0 HB2 ASN A 37 2.131 -2.448 -12.995 1.00 0.00 H new ATOM 0 HB3 ASN A 37 3.372 -3.381 -13.809 1.00 0.00 H new ATOM 0 HD21 ASN A 37 2.646 -6.403 -12.174 1.00 0.00 H new ATOM 0 HD22 ASN A 37 3.567 -5.537 -13.407 1.00 0.00 H new ATOM 577 N ARG A 38 3.663 -2.520 -9.642 1.00 0.00 N ATOM 578 CA ARG A 38 3.150 -2.078 -8.353 1.00 0.00 C ATOM 579 C ARG A 38 4.289 -1.801 -7.375 1.00 0.00 C ATOM 580 O ARG A 38 4.054 -1.357 -6.251 1.00 0.00 O ATOM 581 CB ARG A 38 2.205 -3.129 -7.769 1.00 0.00 C ATOM 582 CG ARG A 38 1.242 -2.573 -6.734 1.00 0.00 C ATOM 583 CD ARG A 38 0.419 -1.430 -7.303 1.00 0.00 C ATOM 584 NE ARG A 38 1.091 -0.143 -7.145 1.00 0.00 N ATOM 585 CZ ARG A 38 0.962 0.873 -7.994 1.00 0.00 C ATOM 586 NH1 ARG A 38 0.191 0.759 -9.067 1.00 0.00 N ATOM 587 NH2 ARG A 38 1.604 2.010 -7.768 1.00 0.00 N ATOM 0 H ARG A 38 4.182 -3.398 -9.613 1.00 0.00 H new ATOM 0 HA ARG A 38 2.599 -1.151 -8.510 1.00 0.00 H new ATOM 0 HB2 ARG A 38 1.633 -3.581 -8.579 1.00 0.00 H new ATOM 0 HB3 ARG A 38 2.796 -3.924 -7.313 1.00 0.00 H new ATOM 0 HG2 ARG A 38 0.578 -3.366 -6.389 1.00 0.00 H new ATOM 0 HG3 ARG A 38 1.800 -2.225 -5.865 1.00 0.00 H new ATOM 0 HD2 ARG A 38 0.227 -1.612 -8.360 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -0.550 -1.397 -6.805 1.00 0.00 H new ATOM 0 HE ARG A 38 1.696 -0.015 -6.334 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -0.308 -0.112 -9.246 1.00 0.00 H new ATOM 0 HH12 ARG A 38 0.097 1.543 -9.713 1.00 0.00 H new ATOM 0 HH21 ARG A 38 2.197 2.106 -6.943 1.00 0.00 H new ATOM 0 HH22 ARG A 38 1.505 2.789 -8.419 1.00 0.00 H new ATOM 601 N ASP A 39 5.524 -2.073 -7.800 1.00 0.00 N ATOM 602 CA ASP A 39 6.689 -1.860 -6.947 1.00 0.00 C ATOM 603 C ASP A 39 6.451 -2.475 -5.575 1.00 0.00 C ATOM 604 O ASP A 39 6.889 -1.942 -4.555 1.00 0.00 O ATOM 605 CB ASP A 39 6.988 -0.366 -6.811 1.00 0.00 C ATOM 606 CG ASP A 39 7.756 0.182 -7.999 1.00 0.00 C ATOM 607 OD1 ASP A 39 7.816 -0.508 -9.037 1.00 0.00 O ATOM 608 OD2 ASP A 39 8.298 1.302 -7.888 1.00 0.00 O ATOM 0 H ASP A 39 5.740 -2.440 -8.727 1.00 0.00 H new ATOM 0 HA ASP A 39 7.550 -2.344 -7.407 1.00 0.00 H new ATOM 0 HB2 ASP A 39 6.051 0.181 -6.704 1.00 0.00 H new ATOM 0 HB3 ASP A 39 7.562 -0.195 -5.901 1.00 0.00 H new ATOM 613 N LEU A 40 5.735 -3.593 -5.564 1.00 0.00 N ATOM 614 CA LEU A 40 5.413 -4.283 -4.321 1.00 0.00 C ATOM 615 C LEU A 40 5.868 -5.737 -4.371 1.00 0.00 C ATOM 616 O LEU A 40 5.948 -6.336 -5.444 1.00 0.00 O ATOM 617 CB LEU A 40 3.905 -4.211 -4.066 1.00 0.00 C ATOM 618 CG LEU A 40 3.420 -4.907 -2.794 1.00 0.00 C ATOM 619 CD1 LEU A 40 3.879 -4.148 -1.560 1.00 0.00 C ATOM 620 CD2 LEU A 40 1.903 -5.037 -2.810 1.00 0.00 C ATOM 0 H LEU A 40 5.366 -4.041 -6.403 1.00 0.00 H new ATOM 0 HA LEU A 40 5.942 -3.791 -3.505 1.00 0.00 H new ATOM 0 HB2 LEU A 40 3.611 -3.162 -4.020 1.00 0.00 H new ATOM 0 HB3 LEU A 40 3.388 -4.650 -4.919 1.00 0.00 H new ATOM 0 HG LEU A 40 3.854 -5.906 -2.759 1.00 0.00 H new ATOM 0 HD11 LEU A 40 3.524 -4.659 -0.665 1.00 0.00 H new ATOM 0 HD12 LEU A 40 4.968 -4.104 -1.544 1.00 0.00 H new ATOM 0 HD13 LEU A 40 3.475 -3.136 -1.584 1.00 0.00 H new ATOM 0 HD21 LEU A 40 1.571 -5.534 -1.899 1.00 0.00 H new ATOM 0 HD22 LEU A 40 1.453 -4.046 -2.867 1.00 0.00 H new ATOM 0 HD23 LEU A 40 1.597 -5.624 -3.676 1.00 0.00 H new ATOM 632 N LEU A 41 6.159 -6.302 -3.204 1.00 0.00 N ATOM 633 CA LEU A 41 6.599 -7.691 -3.123 1.00 0.00 C ATOM 634 C LEU A 41 6.054 -8.377 -1.876 1.00 0.00 C ATOM 635 O LEU A 41 5.725 -7.725 -0.889 1.00 0.00 O ATOM 636 CB LEU A 41 8.138 -7.802 -3.188 1.00 0.00 C ATOM 637 CG LEU A 41 8.974 -7.196 -2.033 1.00 0.00 C ATOM 638 CD1 LEU A 41 9.797 -6.016 -2.528 1.00 0.00 C ATOM 639 CD2 LEU A 41 8.126 -6.769 -0.845 1.00 0.00 C ATOM 0 H LEU A 41 6.099 -5.823 -2.305 1.00 0.00 H new ATOM 0 HA LEU A 41 6.192 -8.209 -3.992 1.00 0.00 H new ATOM 0 HB2 LEU A 41 8.391 -8.860 -3.260 1.00 0.00 H new ATOM 0 HB3 LEU A 41 8.465 -7.332 -4.115 1.00 0.00 H new ATOM 0 HG LEU A 41 9.637 -7.989 -1.688 1.00 0.00 H new ATOM 0 HD11 LEU A 41 10.377 -5.605 -1.702 1.00 0.00 H new ATOM 0 HD12 LEU A 41 10.473 -6.349 -3.316 1.00 0.00 H new ATOM 0 HD13 LEU A 41 9.131 -5.248 -2.922 1.00 0.00 H new ATOM 0 HD21 LEU A 41 8.769 -6.353 -0.070 1.00 0.00 H new ATOM 0 HD22 LEU A 41 7.407 -6.014 -1.164 1.00 0.00 H new ATOM 0 HD23 LEU A 41 7.593 -7.633 -0.449 1.00 0.00 H new ATOM 651 N VAL A 42 5.956 -9.699 -1.930 1.00 0.00 N ATOM 652 CA VAL A 42 5.457 -10.469 -0.801 1.00 0.00 C ATOM 653 C VAL A 42 6.502 -11.475 -0.351 1.00 0.00 C ATOM 654 O VAL A 42 7.044 -12.229 -1.163 1.00 0.00 O ATOM 655 CB VAL A 42 4.136 -11.216 -1.131 1.00 0.00 C ATOM 656 CG1 VAL A 42 3.843 -12.313 -0.105 1.00 0.00 C ATOM 657 CG2 VAL A 42 2.968 -10.244 -1.193 1.00 0.00 C ATOM 0 H VAL A 42 6.215 -10.258 -2.743 1.00 0.00 H new ATOM 0 HA VAL A 42 5.248 -9.759 -0.001 1.00 0.00 H new ATOM 0 HB VAL A 42 4.262 -11.684 -2.107 1.00 0.00 H new ATOM 0 HG11 VAL A 42 2.912 -12.816 -0.366 1.00 0.00 H new ATOM 0 HG12 VAL A 42 4.658 -13.037 -0.103 1.00 0.00 H new ATOM 0 HG13 VAL A 42 3.750 -11.869 0.886 1.00 0.00 H new ATOM 0 HG21 VAL A 42 2.053 -10.789 -1.425 1.00 0.00 H new ATOM 0 HG22 VAL A 42 2.858 -9.745 -0.230 1.00 0.00 H new ATOM 0 HG23 VAL A 42 3.154 -9.500 -1.968 1.00 0.00 H new ATOM 667 N SER A 43 6.759 -11.479 0.950 1.00 0.00 N ATOM 668 CA SER A 43 7.717 -12.391 1.551 1.00 0.00 C ATOM 669 C SER A 43 7.018 -13.225 2.615 1.00 0.00 C ATOM 670 O SER A 43 5.974 -12.829 3.131 1.00 0.00 O ATOM 671 CB SER A 43 8.886 -11.619 2.165 1.00 0.00 C ATOM 672 OG SER A 43 8.561 -11.138 3.457 1.00 0.00 O ATOM 0 H SER A 43 6.309 -10.851 1.616 1.00 0.00 H new ATOM 0 HA SER A 43 8.116 -13.048 0.778 1.00 0.00 H new ATOM 0 HB2 SER A 43 9.761 -12.266 2.225 1.00 0.00 H new ATOM 0 HB3 SER A 43 9.152 -10.782 1.519 1.00 0.00 H new ATOM 0 HG SER A 43 9.042 -10.301 3.625 1.00 0.00 H new ATOM 678 N THR A 44 7.576 -14.384 2.931 1.00 0.00 N ATOM 679 CA THR A 44 6.970 -15.259 3.923 1.00 0.00 C ATOM 680 C THR A 44 7.612 -15.083 5.291 1.00 0.00 C ATOM 681 O THR A 44 8.830 -15.194 5.443 1.00 0.00 O ATOM 682 CB THR A 44 7.064 -16.710 3.465 1.00 0.00 C ATOM 683 OG1 THR A 44 8.385 -17.202 3.604 1.00 0.00 O ATOM 684 CG2 THR A 44 6.650 -16.885 2.025 1.00 0.00 C ATOM 0 H THR A 44 8.439 -14.738 2.519 1.00 0.00 H new ATOM 0 HA THR A 44 5.919 -14.985 4.020 1.00 0.00 H new ATOM 0 HB THR A 44 6.380 -17.270 4.103 1.00 0.00 H new ATOM 0 HG1 THR A 44 8.900 -16.599 4.180 1.00 0.00 H new ATOM 0 HG21 THR A 44 6.735 -17.936 1.747 1.00 0.00 H new ATOM 0 HG22 THR A 44 5.617 -16.559 1.901 1.00 0.00 H new ATOM 0 HG23 THR A 44 7.299 -16.287 1.385 1.00 0.00 H new ATOM 692 N THR A 45 6.775 -14.796 6.281 1.00 0.00 N ATOM 693 CA THR A 45 7.236 -14.587 7.648 1.00 0.00 C ATOM 694 C THR A 45 7.168 -15.884 8.450 1.00 0.00 C ATOM 695 O THR A 45 7.975 -16.112 9.351 1.00 0.00 O ATOM 696 CB THR A 45 6.395 -13.498 8.328 1.00 0.00 C ATOM 697 OG1 THR A 45 5.315 -14.068 9.046 1.00 0.00 O ATOM 698 CG2 THR A 45 5.815 -12.488 7.357 1.00 0.00 C ATOM 0 H THR A 45 5.766 -14.702 6.161 1.00 0.00 H new ATOM 0 HA THR A 45 8.276 -14.263 7.613 1.00 0.00 H new ATOM 0 HB THR A 45 7.086 -12.982 8.995 1.00 0.00 H new ATOM 0 HG1 THR A 45 4.674 -13.366 9.284 1.00 0.00 H new ATOM 0 HG21 THR A 45 5.233 -11.748 7.906 1.00 0.00 H new ATOM 0 HG22 THR A 45 6.624 -11.990 6.824 1.00 0.00 H new ATOM 0 HG23 THR A 45 5.170 -12.999 6.642 1.00 0.00 H new ATOM 706 N THR A 46 6.197 -16.729 8.116 1.00 0.00 N ATOM 707 CA THR A 46 6.020 -18.003 8.804 1.00 0.00 C ATOM 708 C THR A 46 5.642 -17.784 10.266 1.00 0.00 C ATOM 709 O THR A 46 6.088 -18.516 11.150 1.00 0.00 O ATOM 710 CB THR A 46 7.299 -18.839 8.715 1.00 0.00 C ATOM 711 OG1 THR A 46 8.053 -18.481 7.570 1.00 0.00 O ATOM 712 CG2 THR A 46 7.037 -20.327 8.646 1.00 0.00 C ATOM 0 H THR A 46 5.521 -16.554 7.373 1.00 0.00 H new ATOM 0 HA THR A 46 5.209 -18.541 8.314 1.00 0.00 H new ATOM 0 HB THR A 46 7.848 -18.626 9.632 1.00 0.00 H new ATOM 0 HG1 THR A 46 8.867 -19.025 7.531 1.00 0.00 H new ATOM 0 HG21 THR A 46 7.985 -20.861 8.585 1.00 0.00 H new ATOM 0 HG22 THR A 46 6.500 -20.644 9.540 1.00 0.00 H new ATOM 0 HG23 THR A 46 6.437 -20.550 7.764 1.00 0.00 H new ATOM 720 N ALA A 47 4.818 -16.771 10.512 1.00 0.00 N ATOM 721 CA ALA A 47 4.379 -16.453 11.865 1.00 0.00 C ATOM 722 C ALA A 47 2.886 -16.139 11.898 1.00 0.00 C ATOM 723 O ALA A 47 2.195 -16.255 10.887 1.00 0.00 O ATOM 724 CB ALA A 47 5.183 -15.283 12.418 1.00 0.00 C ATOM 0 H ALA A 47 4.441 -16.156 9.791 1.00 0.00 H new ATOM 0 HA ALA A 47 4.552 -17.327 12.494 1.00 0.00 H new ATOM 0 HB1 ALA A 47 4.846 -15.055 13.429 1.00 0.00 H new ATOM 0 HB2 ALA A 47 6.241 -15.546 12.439 1.00 0.00 H new ATOM 0 HB3 ALA A 47 5.039 -14.410 11.782 1.00 0.00 H new ATOM 730 N HIS A 48 2.396 -15.742 13.068 1.00 0.00 N ATOM 731 CA HIS A 48 0.984 -15.411 13.231 1.00 0.00 C ATOM 732 C HIS A 48 0.650 -14.095 12.536 1.00 0.00 C ATOM 733 O HIS A 48 1.284 -13.070 12.789 1.00 0.00 O ATOM 734 CB HIS A 48 0.627 -15.327 14.718 1.00 0.00 C ATOM 735 CG HIS A 48 -0.326 -16.391 15.165 1.00 0.00 C ATOM 736 ND1 HIS A 48 -1.692 -16.205 15.215 1.00 0.00 N ATOM 737 CD2 HIS A 48 -0.106 -17.660 15.584 1.00 0.00 C ATOM 738 CE1 HIS A 48 -2.270 -17.312 15.647 1.00 0.00 C ATOM 739 NE2 HIS A 48 -1.329 -18.210 15.878 1.00 0.00 N ATOM 0 H HIS A 48 2.954 -15.642 13.916 1.00 0.00 H new ATOM 0 HA HIS A 48 0.394 -16.202 12.769 1.00 0.00 H new ATOM 0 HB2 HIS A 48 1.541 -15.398 15.307 1.00 0.00 H new ATOM 0 HB3 HIS A 48 0.190 -14.350 14.924 1.00 0.00 H new ATOM 0 HD2 HIS A 48 0.853 -18.148 15.671 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -3.331 -17.458 15.787 1.00 0.00 H new ATOM 0 HE2 HIS A 48 -1.486 -19.158 16.219 1.00 0.00 H new ATOM 748 N GLY A 49 -0.349 -14.130 11.662 1.00 0.00 N ATOM 749 CA GLY A 49 -0.751 -12.933 10.945 1.00 0.00 C ATOM 750 C GLY A 49 -1.275 -11.852 11.869 1.00 0.00 C ATOM 751 O GLY A 49 -1.438 -12.077 13.068 1.00 0.00 O ATOM 0 H GLY A 49 -0.888 -14.966 11.436 1.00 0.00 H new ATOM 0 HA2 GLY A 49 0.100 -12.546 10.384 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -1.521 -13.190 10.218 1.00 0.00 H new ATOM 755 N CYS A 50 -1.540 -10.676 11.311 1.00 0.00 N ATOM 756 CA CYS A 50 -2.050 -9.555 12.093 1.00 0.00 C ATOM 757 C CYS A 50 -3.066 -8.750 11.291 1.00 0.00 C ATOM 758 O CYS A 50 -4.265 -8.793 11.567 1.00 0.00 O ATOM 759 CB CYS A 50 -0.897 -8.651 12.537 1.00 0.00 C ATOM 760 SG CYS A 50 -0.299 -8.987 14.210 1.00 0.00 S ATOM 0 H CYS A 50 -1.410 -10.474 10.320 1.00 0.00 H new ATOM 0 HA CYS A 50 -2.549 -9.955 12.976 1.00 0.00 H new ATOM 0 HB2 CYS A 50 -0.069 -8.765 11.837 1.00 0.00 H new ATOM 0 HB3 CYS A 50 -1.221 -7.612 12.480 1.00 0.00 H new ATOM 0 HG CYS A 50 0.676 -8.175 14.494 1.00 0.00 H new ATOM 766 N ASP A 51 -2.579 -8.013 10.298 1.00 0.00 N ATOM 767 CA ASP A 51 -3.445 -7.197 9.456 1.00 0.00 C ATOM 768 C ASP A 51 -4.355 -8.071 8.598 1.00 0.00 C ATOM 769 O ASP A 51 -3.970 -9.161 8.178 1.00 0.00 O ATOM 770 CB ASP A 51 -2.607 -6.281 8.561 1.00 0.00 C ATOM 771 CG ASP A 51 -1.748 -5.321 9.360 1.00 0.00 C ATOM 772 OD1 ASP A 51 -2.314 -4.425 10.020 1.00 0.00 O ATOM 773 OD2 ASP A 51 -0.507 -5.465 9.326 1.00 0.00 O ATOM 0 H ASP A 51 -1.589 -7.964 10.057 1.00 0.00 H new ATOM 0 HA ASP A 51 -4.069 -6.586 10.108 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -1.968 -6.889 7.920 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -3.268 -5.714 7.906 1.00 0.00 H new ATOM 778 N THR A 52 -5.564 -7.581 8.341 1.00 0.00 N ATOM 779 CA THR A 52 -6.530 -8.313 7.530 1.00 0.00 C ATOM 780 C THR A 52 -6.934 -7.495 6.310 1.00 0.00 C ATOM 781 O THR A 52 -7.480 -6.399 6.439 1.00 0.00 O ATOM 782 CB THR A 52 -7.768 -8.657 8.361 1.00 0.00 C ATOM 783 OG1 THR A 52 -7.407 -9.390 9.518 1.00 0.00 O ATOM 784 CG2 THR A 52 -8.790 -9.473 7.601 1.00 0.00 C ATOM 0 H THR A 52 -5.898 -6.680 8.683 1.00 0.00 H new ATOM 0 HA THR A 52 -6.062 -9.237 7.191 1.00 0.00 H new ATOM 0 HB THR A 52 -8.215 -7.698 8.624 1.00 0.00 H new ATOM 0 HG1 THR A 52 -7.064 -10.269 9.254 1.00 0.00 H new ATOM 0 HG21 THR A 52 -9.642 -9.682 8.248 1.00 0.00 H new ATOM 0 HG22 THR A 52 -9.126 -8.914 6.728 1.00 0.00 H new ATOM 0 HG23 THR A 52 -8.339 -10.412 7.279 1.00 0.00 H new ATOM 792 N ILE A 53 -6.661 -8.031 5.125 1.00 0.00 N ATOM 793 CA ILE A 53 -6.997 -7.341 3.884 1.00 0.00 C ATOM 794 C ILE A 53 -8.486 -7.447 3.587 1.00 0.00 C ATOM 795 O ILE A 53 -9.094 -8.501 3.776 1.00 0.00 O ATOM 796 CB ILE A 53 -6.233 -7.892 2.662 1.00 0.00 C ATOM 797 CG1 ILE A 53 -4.806 -8.336 3.020 1.00 0.00 C ATOM 798 CG2 ILE A 53 -6.212 -6.847 1.556 1.00 0.00 C ATOM 799 CD1 ILE A 53 -3.761 -7.243 2.907 1.00 0.00 C ATOM 0 H ILE A 53 -6.210 -8.937 4.997 1.00 0.00 H new ATOM 0 HA ILE A 53 -6.705 -6.303 4.042 1.00 0.00 H new ATOM 0 HB ILE A 53 -6.759 -8.780 2.311 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -4.804 -8.720 4.040 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -4.522 -9.162 2.368 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -5.672 -7.240 0.695 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -7.234 -6.606 1.264 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -5.715 -5.946 1.916 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -2.784 -7.644 3.178 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -3.730 -6.874 1.882 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -4.016 -6.424 3.580 1.00 0.00 H new ATOM 811 N ALA A 54 -9.069 -6.354 3.111 1.00 0.00 N ATOM 812 CA ALA A 54 -10.484 -6.329 2.777 1.00 0.00 C ATOM 813 C ALA A 54 -10.688 -6.472 1.272 1.00 0.00 C ATOM 814 O ALA A 54 -10.240 -5.630 0.494 1.00 0.00 O ATOM 815 CB ALA A 54 -11.125 -5.046 3.281 1.00 0.00 C ATOM 0 H ALA A 54 -8.581 -5.473 2.948 1.00 0.00 H new ATOM 0 HA ALA A 54 -10.966 -7.175 3.268 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -12.184 -5.043 3.023 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -11.015 -4.985 4.364 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -10.636 -4.189 2.818 1.00 0.00 H new ATOM 821 N ARG A 55 -11.371 -7.538 0.870 1.00 0.00 N ATOM 822 CA ARG A 55 -11.639 -7.785 -0.542 1.00 0.00 C ATOM 823 C ARG A 55 -12.964 -7.150 -0.954 1.00 0.00 C ATOM 824 O ARG A 55 -13.759 -7.750 -1.678 1.00 0.00 O ATOM 825 CB ARG A 55 -11.655 -9.289 -0.827 1.00 0.00 C ATOM 826 CG ARG A 55 -10.419 -9.779 -1.568 1.00 0.00 C ATOM 827 CD ARG A 55 -10.788 -10.653 -2.756 1.00 0.00 C ATOM 828 NE ARG A 55 -9.636 -10.920 -3.616 1.00 0.00 N ATOM 829 CZ ARG A 55 -9.731 -11.319 -4.882 1.00 0.00 C ATOM 830 NH1 ARG A 55 -10.922 -11.497 -5.442 1.00 0.00 N ATOM 831 NH2 ARG A 55 -8.633 -11.539 -5.591 1.00 0.00 N ATOM 0 H ARG A 55 -11.749 -8.244 1.501 1.00 0.00 H new ATOM 0 HA ARG A 55 -10.842 -7.330 -1.129 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -11.741 -9.829 0.116 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -12.541 -9.530 -1.415 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -9.837 -8.924 -1.912 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -9.784 -10.342 -0.884 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -11.200 -11.597 -2.398 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -11.569 -10.164 -3.338 1.00 0.00 H new ATOM 0 HE ARG A 55 -8.704 -10.793 -3.222 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -11.770 -11.328 -4.901 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -10.989 -11.803 -6.413 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -7.716 -11.402 -5.166 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -8.705 -11.845 -6.561 1.00 0.00 H new ATOM 845 N CYS A 56 -13.191 -5.929 -0.483 1.00 0.00 N ATOM 846 CA CYS A 56 -14.414 -5.202 -0.794 1.00 0.00 C ATOM 847 C CYS A 56 -14.176 -4.194 -1.912 1.00 0.00 C ATOM 848 O CYS A 56 -13.034 -3.911 -2.273 1.00 0.00 O ATOM 849 CB CYS A 56 -14.932 -4.485 0.454 1.00 0.00 C ATOM 850 SG CYS A 56 -13.703 -3.409 1.263 1.00 0.00 S ATOM 0 H CYS A 56 -12.541 -5.421 0.117 1.00 0.00 H new ATOM 0 HA CYS A 56 -15.162 -5.920 -1.131 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -15.800 -3.885 0.180 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -15.274 -5.231 1.172 1.00 0.00 H new ATOM 0 HG CYS A 56 -14.212 -2.910 2.350 1.00 0.00 H new ATOM 855 N GLN A 57 -15.262 -3.660 -2.465 1.00 0.00 N ATOM 856 CA GLN A 57 -15.166 -2.690 -3.550 1.00 0.00 C ATOM 857 C GLN A 57 -15.732 -1.333 -3.137 1.00 0.00 C ATOM 858 O GLN A 57 -16.387 -0.658 -3.932 1.00 0.00 O ATOM 859 CB GLN A 57 -15.904 -3.208 -4.786 1.00 0.00 C ATOM 860 CG GLN A 57 -15.215 -2.858 -6.096 1.00 0.00 C ATOM 861 CD GLN A 57 -16.176 -2.307 -7.130 1.00 0.00 C ATOM 862 OE1 GLN A 57 -16.555 -3.001 -8.074 1.00 0.00 O ATOM 863 NE2 GLN A 57 -16.576 -1.052 -6.959 1.00 0.00 N ATOM 0 H GLN A 57 -16.216 -3.882 -2.180 1.00 0.00 H new ATOM 0 HA GLN A 57 -14.110 -2.558 -3.787 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -16.001 -4.291 -4.714 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -16.914 -2.798 -4.795 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -14.432 -2.124 -5.906 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -14.728 -3.748 -6.495 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -16.237 -0.513 -6.162 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -17.222 -0.628 -7.624 1.00 0.00 H new ATOM 872 N CYS A 58 -15.471 -0.932 -1.897 1.00 0.00 N ATOM 873 CA CYS A 58 -15.953 0.353 -1.398 1.00 0.00 C ATOM 874 C CYS A 58 -15.165 1.498 -2.022 1.00 0.00 C ATOM 875 O CYS A 58 -13.934 1.508 -1.987 1.00 0.00 O ATOM 876 CB CYS A 58 -15.838 0.423 0.126 1.00 0.00 C ATOM 877 SG CYS A 58 -16.533 -1.012 1.004 1.00 0.00 S ATOM 0 H CYS A 58 -14.932 -1.474 -1.222 1.00 0.00 H new ATOM 0 HA CYS A 58 -17.003 0.447 -1.677 1.00 0.00 H new ATOM 0 HB2 CYS A 58 -14.786 0.522 0.394 1.00 0.00 H new ATOM 0 HB3 CYS A 58 -16.342 1.325 0.474 1.00 0.00 H new ATOM 0 HG CYS A 58 -15.614 -1.920 1.146 1.00 0.00 H new ATOM 882 N THR A 59 -15.877 2.466 -2.587 1.00 0.00 N ATOM 883 CA THR A 59 -15.236 3.618 -3.209 1.00 0.00 C ATOM 884 C THR A 59 -14.588 4.516 -2.158 1.00 0.00 C ATOM 885 O THR A 59 -13.803 5.406 -2.488 1.00 0.00 O ATOM 886 CB THR A 59 -16.253 4.420 -4.022 1.00 0.00 C ATOM 887 OG1 THR A 59 -17.314 3.589 -4.457 1.00 0.00 O ATOM 888 CG2 THR A 59 -15.655 5.080 -5.246 1.00 0.00 C ATOM 0 H THR A 59 -16.896 2.476 -2.627 1.00 0.00 H new ATOM 0 HA THR A 59 -14.457 3.249 -3.877 1.00 0.00 H new ATOM 0 HB THR A 59 -16.611 5.199 -3.349 1.00 0.00 H new ATOM 0 HG1 THR A 59 -17.955 4.120 -4.974 1.00 0.00 H new ATOM 0 HG21 THR A 59 -16.430 5.632 -5.777 1.00 0.00 H new ATOM 0 HG22 THR A 59 -14.865 5.766 -4.940 1.00 0.00 H new ATOM 0 HG23 THR A 59 -15.238 4.317 -5.904 1.00 0.00 H new ATOM 896 N THR A 60 -14.923 4.283 -0.891 1.00 0.00 N ATOM 897 CA THR A 60 -14.376 5.074 0.202 1.00 0.00 C ATOM 898 C THR A 60 -13.377 4.262 1.021 1.00 0.00 C ATOM 899 O THR A 60 -13.389 3.031 0.995 1.00 0.00 O ATOM 900 CB THR A 60 -15.502 5.579 1.107 1.00 0.00 C ATOM 901 OG1 THR A 60 -15.920 4.565 2.002 1.00 0.00 O ATOM 902 CG2 THR A 60 -16.722 6.048 0.342 1.00 0.00 C ATOM 0 H THR A 60 -15.571 3.552 -0.599 1.00 0.00 H new ATOM 0 HA THR A 60 -13.853 5.927 -0.230 1.00 0.00 H new ATOM 0 HB THR A 60 -15.081 6.429 1.643 1.00 0.00 H new ATOM 0 HG1 THR A 60 -16.639 4.908 2.573 1.00 0.00 H new ATOM 0 HG21 THR A 60 -17.481 6.393 1.044 1.00 0.00 H new ATOM 0 HG22 THR A 60 -16.443 6.867 -0.321 1.00 0.00 H new ATOM 0 HG23 THR A 60 -17.121 5.223 -0.248 1.00 0.00 H new ATOM 910 N GLY A 61 -12.516 4.965 1.748 1.00 0.00 N ATOM 911 CA GLY A 61 -11.517 4.309 2.572 1.00 0.00 C ATOM 912 C GLY A 61 -10.697 5.309 3.359 1.00 0.00 C ATOM 913 O GLY A 61 -10.482 6.430 2.904 1.00 0.00 O ATOM 0 H GLY A 61 -12.492 5.984 1.781 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -12.007 3.619 3.259 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -10.857 3.714 1.940 1.00 0.00 H new ATOM 917 N VAL A 62 -10.241 4.914 4.543 1.00 0.00 N ATOM 918 CA VAL A 62 -9.449 5.806 5.380 1.00 0.00 C ATOM 919 C VAL A 62 -7.973 5.426 5.364 1.00 0.00 C ATOM 920 O VAL A 62 -7.620 4.250 5.455 1.00 0.00 O ATOM 921 CB VAL A 62 -9.958 5.808 6.836 1.00 0.00 C ATOM 922 CG1 VAL A 62 -9.936 4.399 7.411 1.00 0.00 C ATOM 923 CG2 VAL A 62 -9.136 6.759 7.695 1.00 0.00 C ATOM 0 H VAL A 62 -10.405 3.990 4.942 1.00 0.00 H new ATOM 0 HA VAL A 62 -9.559 6.807 4.962 1.00 0.00 H new ATOM 0 HB VAL A 62 -10.989 6.161 6.838 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -10.298 4.420 8.439 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -10.578 3.752 6.813 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -8.916 4.015 7.394 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -9.513 6.744 8.718 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -8.092 6.445 7.688 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -9.213 7.770 7.295 1.00 0.00 H new ATOM 933 N TYR A 63 -7.115 6.436 5.252 1.00 0.00 N ATOM 934 CA TYR A 63 -5.675 6.220 5.231 1.00 0.00 C ATOM 935 C TYR A 63 -4.992 7.052 6.314 1.00 0.00 C ATOM 936 O TYR A 63 -5.386 8.187 6.578 1.00 0.00 O ATOM 937 CB TYR A 63 -5.103 6.564 3.848 1.00 0.00 C ATOM 938 CG TYR A 63 -5.059 8.049 3.542 1.00 0.00 C ATOM 939 CD1 TYR A 63 -4.145 8.882 4.177 1.00 0.00 C ATOM 940 CD2 TYR A 63 -5.928 8.615 2.614 1.00 0.00 C ATOM 941 CE1 TYR A 63 -4.097 10.234 3.897 1.00 0.00 C ATOM 942 CE2 TYR A 63 -5.884 9.968 2.330 1.00 0.00 C ATOM 943 CZ TYR A 63 -4.968 10.772 2.974 1.00 0.00 C ATOM 944 OH TYR A 63 -4.921 12.118 2.693 1.00 0.00 O ATOM 0 H TYR A 63 -7.395 7.414 5.174 1.00 0.00 H new ATOM 0 HA TYR A 63 -5.481 5.167 5.434 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -4.093 6.160 3.775 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -5.702 6.066 3.086 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -3.461 8.465 4.901 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -6.648 7.988 2.108 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -3.380 10.867 4.399 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -6.564 10.393 1.607 1.00 0.00 H new ATOM 0 HH TYR A 63 -5.600 12.336 2.021 1.00 0.00 H new ATOM 954 N PHE A 64 -3.969 6.478 6.941 1.00 0.00 N ATOM 955 CA PHE A 64 -3.236 7.169 7.997 1.00 0.00 C ATOM 956 C PHE A 64 -2.688 8.502 7.497 1.00 0.00 C ATOM 957 O PHE A 64 -1.905 8.544 6.547 1.00 0.00 O ATOM 958 CB PHE A 64 -2.091 6.293 8.508 1.00 0.00 C ATOM 959 CG PHE A 64 -1.584 6.696 9.863 1.00 0.00 C ATOM 960 CD1 PHE A 64 -2.452 6.809 10.937 1.00 0.00 C ATOM 961 CD2 PHE A 64 -0.239 6.962 10.061 1.00 0.00 C ATOM 962 CE1 PHE A 64 -1.989 7.180 12.184 1.00 0.00 C ATOM 963 CE2 PHE A 64 0.231 7.334 11.307 1.00 0.00 C ATOM 964 CZ PHE A 64 -0.645 7.443 12.370 1.00 0.00 C ATOM 0 H PHE A 64 -3.629 5.538 6.737 1.00 0.00 H new ATOM 0 HA PHE A 64 -3.928 7.366 8.816 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -2.428 5.257 8.549 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -1.268 6.333 7.795 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -3.503 6.604 10.797 1.00 0.00 H new ATOM 0 HD2 PHE A 64 0.450 6.878 9.233 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -2.676 7.265 13.013 1.00 0.00 H new ATOM 0 HE2 PHE A 64 1.282 7.539 11.449 1.00 0.00 H new ATOM 0 HZ PHE A 64 -0.280 7.733 13.344 1.00 0.00 H new ATOM 1061 N HIS A 71 -6.851 9.217 11.747 1.00 0.00 N ATOM 1062 CA HIS A 71 -7.319 8.484 10.580 1.00 0.00 C ATOM 1063 C HIS A 71 -8.095 9.420 9.661 1.00 0.00 C ATOM 1064 O HIS A 71 -9.015 10.110 10.099 1.00 0.00 O ATOM 1065 CB HIS A 71 -8.205 7.313 11.011 1.00 0.00 C ATOM 1066 CG HIS A 71 -7.435 6.070 11.333 1.00 0.00 C ATOM 1067 ND1 HIS A 71 -7.843 4.810 10.948 1.00 0.00 N ATOM 1068 CD2 HIS A 71 -6.276 5.897 12.012 1.00 0.00 C ATOM 1069 CE1 HIS A 71 -6.969 3.917 11.376 1.00 0.00 C ATOM 1070 NE2 HIS A 71 -6.009 4.550 12.024 1.00 0.00 N ATOM 0 HA HIS A 71 -6.458 8.088 10.041 1.00 0.00 H new ATOM 0 HB2 HIS A 71 -8.785 7.609 11.885 1.00 0.00 H new ATOM 0 HB3 HIS A 71 -8.917 7.094 10.215 1.00 0.00 H new ATOM 0 HD2 HIS A 71 -5.674 6.674 12.460 1.00 0.00 H new ATOM 0 HE1 HIS A 71 -7.030 2.850 11.222 1.00 0.00 H new ATOM 0 HE2 HIS A 71 -5.200 4.110 12.463 1.00 0.00 H new ATOM 1079 N TYR A 72 -7.707 9.458 8.391 1.00 0.00 N ATOM 1080 CA TYR A 72 -8.358 10.333 7.425 1.00 0.00 C ATOM 1081 C TYR A 72 -9.173 9.540 6.406 1.00 0.00 C ATOM 1082 O TYR A 72 -8.612 8.808 5.592 1.00 0.00 O ATOM 1083 CB TYR A 72 -7.303 11.164 6.686 1.00 0.00 C ATOM 1084 CG TYR A 72 -7.096 12.551 7.253 1.00 0.00 C ATOM 1085 CD1 TYR A 72 -6.649 12.733 8.557 1.00 0.00 C ATOM 1086 CD2 TYR A 72 -7.339 13.678 6.479 1.00 0.00 C ATOM 1087 CE1 TYR A 72 -6.452 14.001 9.074 1.00 0.00 C ATOM 1088 CE2 TYR A 72 -7.143 14.948 6.985 1.00 0.00 C ATOM 1089 CZ TYR A 72 -6.700 15.105 8.284 1.00 0.00 C ATOM 1090 OH TYR A 72 -6.505 16.368 8.793 1.00 0.00 O ATOM 0 H TYR A 72 -6.948 8.895 8.008 1.00 0.00 H new ATOM 0 HA TYR A 72 -9.037 10.985 7.974 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -6.354 10.629 6.709 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -7.594 11.251 5.639 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -6.452 11.870 9.176 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -7.687 13.559 5.464 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -6.106 14.126 10.089 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -7.335 15.814 6.368 1.00 0.00 H new ATOM 0 HH TYR A 72 -6.724 17.034 8.108 1.00 0.00 H new ATOM 1100 N PRO A 73 -10.511 9.690 6.414 1.00 0.00 N ATOM 1101 CA PRO A 73 -11.383 9.002 5.469 1.00 0.00 C ATOM 1102 C PRO A 73 -11.376 9.706 4.119 1.00 0.00 C ATOM 1103 O PRO A 73 -11.703 10.889 4.025 1.00 0.00 O ATOM 1104 CB PRO A 73 -12.773 9.081 6.121 1.00 0.00 C ATOM 1105 CG PRO A 73 -12.584 9.797 7.424 1.00 0.00 C ATOM 1106 CD PRO A 73 -11.285 10.543 7.319 1.00 0.00 C ATOM 0 HA PRO A 73 -11.069 7.976 5.276 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -13.473 9.617 5.480 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -13.185 8.085 6.281 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -13.410 10.482 7.613 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -12.559 9.091 8.254 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -11.423 11.546 6.915 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -10.800 10.654 8.289 1.00 0.00 H new ATOM 1114 N VAL A 74 -10.976 8.986 3.078 1.00 0.00 N ATOM 1115 CA VAL A 74 -10.902 9.562 1.743 1.00 0.00 C ATOM 1116 C VAL A 74 -11.504 8.642 0.685 1.00 0.00 C ATOM 1117 O VAL A 74 -11.326 7.424 0.727 1.00 0.00 O ATOM 1118 CB VAL A 74 -9.434 9.868 1.367 1.00 0.00 C ATOM 1119 CG1 VAL A 74 -9.305 10.253 -0.095 1.00 0.00 C ATOM 1120 CG2 VAL A 74 -8.872 10.964 2.256 1.00 0.00 C ATOM 0 H VAL A 74 -10.699 8.006 3.133 1.00 0.00 H new ATOM 0 HA VAL A 74 -11.483 10.484 1.766 1.00 0.00 H new ATOM 0 HB VAL A 74 -8.855 8.958 1.525 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -8.260 10.462 -0.326 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -9.658 9.432 -0.720 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -9.904 11.142 -0.291 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -7.838 11.165 1.976 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -9.464 11.871 2.134 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -8.910 10.643 3.297 1.00 0.00 H new ATOM 1130 N SER A 75 -12.188 9.246 -0.281 1.00 0.00 N ATOM 1131 CA SER A 75 -12.788 8.502 -1.380 1.00 0.00 C ATOM 1132 C SER A 75 -11.831 8.512 -2.563 1.00 0.00 C ATOM 1133 O SER A 75 -11.366 9.572 -2.981 1.00 0.00 O ATOM 1134 CB SER A 75 -14.130 9.117 -1.779 1.00 0.00 C ATOM 1135 OG SER A 75 -14.062 10.532 -1.789 1.00 0.00 O ATOM 0 H SER A 75 -12.340 10.254 -0.324 1.00 0.00 H new ATOM 0 HA SER A 75 -12.970 7.475 -1.063 1.00 0.00 H new ATOM 0 HB2 SER A 75 -14.419 8.757 -2.767 1.00 0.00 H new ATOM 0 HB3 SER A 75 -14.903 8.792 -1.083 1.00 0.00 H new ATOM 0 HG SER A 75 -13.194 10.815 -2.145 1.00 0.00 H new ATOM 1141 N PHE A 76 -11.507 7.335 -3.082 1.00 0.00 N ATOM 1142 CA PHE A 76 -10.568 7.243 -4.193 1.00 0.00 C ATOM 1143 C PHE A 76 -11.098 6.380 -5.329 1.00 0.00 C ATOM 1144 O PHE A 76 -12.076 5.647 -5.179 1.00 0.00 O ATOM 1145 CB PHE A 76 -9.221 6.679 -3.713 1.00 0.00 C ATOM 1146 CG PHE A 76 -9.195 6.307 -2.256 1.00 0.00 C ATOM 1147 CD1 PHE A 76 -9.969 5.260 -1.782 1.00 0.00 C ATOM 1148 CD2 PHE A 76 -8.402 7.007 -1.363 1.00 0.00 C ATOM 1149 CE1 PHE A 76 -9.950 4.917 -0.445 1.00 0.00 C ATOM 1150 CE2 PHE A 76 -8.379 6.669 -0.025 1.00 0.00 C ATOM 1151 CZ PHE A 76 -9.155 5.624 0.436 1.00 0.00 C ATOM 0 H PHE A 76 -11.875 6.441 -2.757 1.00 0.00 H new ATOM 0 HA PHE A 76 -10.433 8.255 -4.574 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -8.976 5.798 -4.306 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -8.442 7.417 -3.902 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -10.594 4.706 -2.466 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -7.795 7.827 -1.717 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -10.556 4.097 -0.088 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -7.754 7.222 0.661 1.00 0.00 H new ATOM 0 HZ PHE A 76 -9.140 5.360 1.483 1.00 0.00 H new ATOM 1161 N GLU A 77 -10.410 6.467 -6.461 1.00 0.00 N ATOM 1162 CA GLU A 77 -10.748 5.698 -7.647 1.00 0.00 C ATOM 1163 C GLU A 77 -9.650 4.674 -7.897 1.00 0.00 C ATOM 1164 O GLU A 77 -8.537 4.829 -7.394 1.00 0.00 O ATOM 1165 CB GLU A 77 -10.903 6.617 -8.861 1.00 0.00 C ATOM 1166 CG GLU A 77 -11.935 6.128 -9.865 1.00 0.00 C ATOM 1167 CD GLU A 77 -12.877 7.228 -10.316 1.00 0.00 C ATOM 1168 OE1 GLU A 77 -13.705 7.674 -9.493 1.00 0.00 O ATOM 1169 OE2 GLU A 77 -12.788 7.641 -11.491 1.00 0.00 O ATOM 0 H GLU A 77 -9.600 7.075 -6.580 1.00 0.00 H new ATOM 0 HA GLU A 77 -11.699 5.189 -7.489 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -11.184 7.613 -8.519 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -9.939 6.712 -9.360 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -11.423 5.714 -10.734 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -12.514 5.319 -9.420 1.00 0.00 H new ATOM 1176 N GLY A 78 -9.957 3.622 -8.647 1.00 0.00 N ATOM 1177 CA GLY A 78 -8.961 2.597 -8.906 1.00 0.00 C ATOM 1178 C GLY A 78 -8.470 2.554 -10.346 1.00 0.00 C ATOM 1179 O GLY A 78 -8.707 1.568 -11.044 1.00 0.00 O ATOM 0 H GLY A 78 -10.868 3.460 -9.077 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -8.108 2.761 -8.248 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -9.381 1.625 -8.648 1.00 0.00 H new ATOM 1183 N PRO A 79 -7.768 3.600 -10.828 1.00 0.00 N ATOM 1184 CA PRO A 79 -7.250 3.625 -12.197 1.00 0.00 C ATOM 1185 C PRO A 79 -6.160 2.578 -12.413 1.00 0.00 C ATOM 1186 O PRO A 79 -5.332 2.327 -11.528 1.00 0.00 O ATOM 1187 CB PRO A 79 -6.662 5.036 -12.354 1.00 0.00 C ATOM 1188 CG PRO A 79 -7.175 5.819 -11.193 1.00 0.00 C ATOM 1189 CD PRO A 79 -7.431 4.828 -10.095 1.00 0.00 C ATOM 0 HA PRO A 79 -8.030 3.399 -12.924 1.00 0.00 H new ATOM 0 HB2 PRO A 79 -5.572 5.008 -12.356 1.00 0.00 H new ATOM 0 HB3 PRO A 79 -6.971 5.486 -13.297 1.00 0.00 H new ATOM 0 HG2 PRO A 79 -6.449 6.569 -10.878 1.00 0.00 H new ATOM 0 HG3 PRO A 79 -8.089 6.351 -11.457 1.00 0.00 H new ATOM 0 HD2 PRO A 79 -6.554 4.692 -9.462 1.00 0.00 H new ATOM 0 HD3 PRO A 79 -8.246 5.147 -9.446 1.00 0.00 H new ATOM 1197 N GLY A 80 -6.174 1.964 -13.591 1.00 0.00 N ATOM 1198 CA GLY A 80 -5.197 0.942 -13.914 1.00 0.00 C ATOM 1199 C GLY A 80 -3.772 1.458 -13.905 1.00 0.00 C ATOM 1200 O GLY A 80 -3.123 1.490 -12.861 1.00 0.00 O ATOM 0 H GLY A 80 -6.849 2.158 -14.331 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -5.286 0.124 -13.199 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -5.422 0.531 -14.898 1.00 0.00 H new ATOM 1204 N LEU A 81 -3.279 1.848 -15.076 1.00 0.00 N ATOM 1205 CA LEU A 81 -1.915 2.345 -15.199 1.00 0.00 C ATOM 1206 C LEU A 81 -1.812 3.837 -14.913 1.00 0.00 C ATOM 1207 O LEU A 81 -2.403 4.662 -15.609 1.00 0.00 O ATOM 1208 CB LEU A 81 -1.362 2.061 -16.590 1.00 0.00 C ATOM 1209 CG LEU A 81 0.153 1.854 -16.640 1.00 0.00 C ATOM 1210 CD1 LEU A 81 0.867 2.805 -15.691 1.00 0.00 C ATOM 1211 CD2 LEU A 81 0.506 0.409 -16.319 1.00 0.00 C ATOM 0 H LEU A 81 -3.803 1.829 -15.951 1.00 0.00 H new ATOM 0 HA LEU A 81 -1.324 1.817 -14.451 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -1.851 1.171 -16.987 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -1.625 2.889 -17.248 1.00 0.00 H new ATOM 0 HG LEU A 81 0.490 2.075 -17.653 1.00 0.00 H new ATOM 0 HD11 LEU A 81 1.942 2.636 -15.747 1.00 0.00 H new ATOM 0 HD12 LEU A 81 0.646 3.834 -15.973 1.00 0.00 H new ATOM 0 HD13 LEU A 81 0.524 2.627 -14.672 1.00 0.00 H new ATOM 0 HD21 LEU A 81 1.588 0.281 -16.359 1.00 0.00 H new ATOM 0 HD22 LEU A 81 0.148 0.160 -15.320 1.00 0.00 H new ATOM 0 HD23 LEU A 81 0.035 -0.251 -17.048 1.00 0.00 H new ATOM 1223 N VAL A 82 -1.019 4.172 -13.901 1.00 0.00 N ATOM 1224 CA VAL A 82 -0.782 5.559 -13.531 1.00 0.00 C ATOM 1225 C VAL A 82 0.716 5.832 -13.543 1.00 0.00 C ATOM 1226 O VAL A 82 1.484 5.148 -12.865 1.00 0.00 O ATOM 1227 CB VAL A 82 -1.367 5.904 -12.143 1.00 0.00 C ATOM 1228 CG1 VAL A 82 -1.088 7.358 -11.790 1.00 0.00 C ATOM 1229 CG2 VAL A 82 -2.864 5.627 -12.122 1.00 0.00 C ATOM 0 H VAL A 82 -0.527 3.494 -13.319 1.00 0.00 H new ATOM 0 HA VAL A 82 -1.289 6.191 -14.260 1.00 0.00 H new ATOM 0 HB VAL A 82 -0.884 5.274 -11.396 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -1.508 7.581 -10.809 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -0.011 7.528 -11.771 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -1.545 8.008 -12.537 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -3.266 5.874 -11.139 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -3.357 6.236 -12.879 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -3.042 4.572 -12.333 1.00 0.00 H new ATOM 1239 N GLU A 83 1.134 6.815 -14.330 1.00 0.00 N ATOM 1240 CA GLU A 83 2.549 7.142 -14.436 1.00 0.00 C ATOM 1241 C GLU A 83 3.041 7.816 -13.165 1.00 0.00 C ATOM 1242 O GLU A 83 2.715 8.972 -12.892 1.00 0.00 O ATOM 1243 CB GLU A 83 2.804 8.048 -15.643 1.00 0.00 C ATOM 1244 CG GLU A 83 1.780 9.159 -15.803 1.00 0.00 C ATOM 1245 CD GLU A 83 2.404 10.469 -16.244 1.00 0.00 C ATOM 1246 OE1 GLU A 83 3.105 10.475 -17.278 1.00 0.00 O ATOM 1247 OE2 GLU A 83 2.192 11.490 -15.556 1.00 0.00 O ATOM 0 H GLU A 83 0.519 7.395 -14.900 1.00 0.00 H new ATOM 0 HA GLU A 83 3.101 6.212 -14.574 1.00 0.00 H new ATOM 0 HB2 GLU A 83 3.795 8.491 -15.550 1.00 0.00 H new ATOM 0 HB3 GLU A 83 2.810 7.440 -16.547 1.00 0.00 H new ATOM 0 HG2 GLU A 83 1.030 8.854 -16.533 1.00 0.00 H new ATOM 0 HG3 GLU A 83 1.261 9.309 -14.856 1.00 0.00 H new ATOM 1254 N VAL A 84 3.828 7.079 -12.391 1.00 0.00 N ATOM 1255 CA VAL A 84 4.369 7.595 -11.145 1.00 0.00 C ATOM 1256 C VAL A 84 5.499 8.580 -11.412 1.00 0.00 C ATOM 1257 O VAL A 84 6.560 8.203 -11.912 1.00 0.00 O ATOM 1258 CB VAL A 84 4.884 6.449 -10.243 1.00 0.00 C ATOM 1259 CG1 VAL A 84 5.796 6.978 -9.142 1.00 0.00 C ATOM 1260 CG2 VAL A 84 3.718 5.679 -9.644 1.00 0.00 C ATOM 0 H VAL A 84 4.105 6.121 -12.607 1.00 0.00 H new ATOM 0 HA VAL A 84 3.561 8.112 -10.628 1.00 0.00 H new ATOM 0 HB VAL A 84 5.469 5.771 -10.865 1.00 0.00 H new ATOM 0 HG11 VAL A 84 6.141 6.148 -8.525 1.00 0.00 H new ATOM 0 HG12 VAL A 84 6.654 7.479 -9.590 1.00 0.00 H new ATOM 0 HG13 VAL A 84 5.246 7.686 -8.522 1.00 0.00 H new ATOM 0 HG21 VAL A 84 4.098 4.876 -9.012 1.00 0.00 H new ATOM 0 HG22 VAL A 84 3.106 6.353 -9.045 1.00 0.00 H new ATOM 0 HG23 VAL A 84 3.113 5.254 -10.445 1.00 0.00 H new ATOM 1270 N GLN A 85 5.265 9.838 -11.054 1.00 0.00 N ATOM 1271 CA GLN A 85 6.258 10.888 -11.227 1.00 0.00 C ATOM 1272 C GLN A 85 7.316 10.773 -10.140 1.00 0.00 C ATOM 1273 O GLN A 85 7.025 10.303 -9.040 1.00 0.00 O ATOM 1274 CB GLN A 85 5.598 12.267 -11.178 1.00 0.00 C ATOM 1275 CG GLN A 85 4.955 12.589 -9.839 1.00 0.00 C ATOM 1276 CD GLN A 85 4.420 14.005 -9.773 1.00 0.00 C ATOM 1277 OE1 GLN A 85 3.256 14.227 -9.442 1.00 0.00 O ATOM 1278 NE2 GLN A 85 5.271 14.974 -10.094 1.00 0.00 N ATOM 0 H GLN A 85 4.389 10.155 -10.639 1.00 0.00 H new ATOM 0 HA GLN A 85 6.730 10.770 -12.203 1.00 0.00 H new ATOM 0 HB2 GLN A 85 6.347 13.027 -11.404 1.00 0.00 H new ATOM 0 HB3 GLN A 85 4.840 12.325 -11.959 1.00 0.00 H new ATOM 0 HG2 GLN A 85 4.141 11.888 -9.654 1.00 0.00 H new ATOM 0 HG3 GLN A 85 5.687 12.444 -9.045 1.00 0.00 H new ATOM 0 HE21 GLN A 85 6.228 14.744 -10.363 1.00 0.00 H new ATOM 0 HE22 GLN A 85 4.967 15.948 -10.072 1.00 0.00 H new ATOM 1287 N GLU A 86 8.543 11.183 -10.438 1.00 0.00 N ATOM 1288 CA GLU A 86 9.604 11.086 -9.448 1.00 0.00 C ATOM 1289 C GLU A 86 9.332 12.045 -8.301 1.00 0.00 C ATOM 1290 O GLU A 86 9.588 13.246 -8.397 1.00 0.00 O ATOM 1291 CB GLU A 86 10.960 11.399 -10.084 1.00 0.00 C ATOM 1292 CG GLU A 86 12.142 10.903 -9.267 1.00 0.00 C ATOM 1293 CD GLU A 86 13.473 11.353 -9.837 1.00 0.00 C ATOM 1294 OE1 GLU A 86 13.949 10.724 -10.804 1.00 0.00 O ATOM 1295 OE2 GLU A 86 14.040 12.337 -9.315 1.00 0.00 O ATOM 0 H GLU A 86 8.823 11.577 -11.336 1.00 0.00 H new ATOM 0 HA GLU A 86 9.629 10.067 -9.062 1.00 0.00 H new ATOM 0 HB2 GLU A 86 11.000 10.949 -11.076 1.00 0.00 H new ATOM 0 HB3 GLU A 86 11.049 12.477 -10.219 1.00 0.00 H new ATOM 0 HG2 GLU A 86 12.049 11.264 -8.243 1.00 0.00 H new ATOM 0 HG3 GLU A 86 12.118 9.814 -9.224 1.00 0.00 H new ATOM 1302 N SER A 87 8.809 11.492 -7.213 1.00 0.00 N ATOM 1303 CA SER A 87 8.491 12.272 -6.025 1.00 0.00 C ATOM 1304 C SER A 87 8.739 11.456 -4.764 1.00 0.00 C ATOM 1305 O SER A 87 8.766 10.228 -4.813 1.00 0.00 O ATOM 1306 CB SER A 87 7.034 12.738 -6.069 1.00 0.00 C ATOM 1307 OG SER A 87 6.694 13.460 -4.898 1.00 0.00 O ATOM 0 H SER A 87 8.595 10.498 -7.130 1.00 0.00 H new ATOM 0 HA SER A 87 9.142 13.146 -6.007 1.00 0.00 H new ATOM 0 HB2 SER A 87 6.876 13.366 -6.946 1.00 0.00 H new ATOM 0 HB3 SER A 87 6.376 11.875 -6.172 1.00 0.00 H new ATOM 0 HG SER A 87 5.759 13.748 -4.951 1.00 0.00 H new ATOM 1313 N GLU A 88 8.893 12.142 -3.636 1.00 0.00 N ATOM 1314 CA GLU A 88 9.113 11.476 -2.353 1.00 0.00 C ATOM 1315 C GLU A 88 10.251 10.455 -2.434 1.00 0.00 C ATOM 1316 O GLU A 88 11.387 10.750 -2.061 1.00 0.00 O ATOM 1317 CB GLU A 88 7.816 10.803 -1.887 1.00 0.00 C ATOM 1318 CG GLU A 88 7.646 10.792 -0.377 1.00 0.00 C ATOM 1319 CD GLU A 88 6.429 10.004 0.067 1.00 0.00 C ATOM 1320 OE1 GLU A 88 6.110 8.987 -0.586 1.00 0.00 O ATOM 1321 OE2 GLU A 88 5.795 10.402 1.066 1.00 0.00 O ATOM 0 H GLU A 88 8.870 13.160 -3.582 1.00 0.00 H new ATOM 0 HA GLU A 88 9.407 12.232 -1.625 1.00 0.00 H new ATOM 0 HB2 GLU A 88 6.967 11.318 -2.336 1.00 0.00 H new ATOM 0 HB3 GLU A 88 7.797 9.777 -2.254 1.00 0.00 H new ATOM 0 HG2 GLU A 88 8.538 10.365 0.082 1.00 0.00 H new ATOM 0 HG3 GLU A 88 7.561 11.817 -0.017 1.00 0.00 H new ATOM 1328 N TYR A 89 9.942 9.257 -2.926 1.00 0.00 N ATOM 1329 CA TYR A 89 10.935 8.199 -3.058 1.00 0.00 C ATOM 1330 C TYR A 89 10.519 7.204 -4.138 1.00 0.00 C ATOM 1331 O TYR A 89 10.912 6.038 -4.107 1.00 0.00 O ATOM 1332 CB TYR A 89 11.120 7.474 -1.723 1.00 0.00 C ATOM 1333 CG TYR A 89 9.818 7.135 -1.034 1.00 0.00 C ATOM 1334 CD1 TYR A 89 8.909 6.260 -1.616 1.00 0.00 C ATOM 1335 CD2 TYR A 89 9.497 7.689 0.200 1.00 0.00 C ATOM 1336 CE1 TYR A 89 7.717 5.948 -0.990 1.00 0.00 C ATOM 1337 CE2 TYR A 89 8.308 7.381 0.833 1.00 0.00 C ATOM 1338 CZ TYR A 89 7.422 6.511 0.233 1.00 0.00 C ATOM 1339 OH TYR A 89 6.236 6.202 0.861 1.00 0.00 O ATOM 0 H TYR A 89 9.007 8.996 -3.240 1.00 0.00 H new ATOM 0 HA TYR A 89 11.882 8.653 -3.348 1.00 0.00 H new ATOM 0 HB2 TYR A 89 11.682 6.555 -1.893 1.00 0.00 H new ATOM 0 HB3 TYR A 89 11.721 8.097 -1.061 1.00 0.00 H new ATOM 0 HD1 TYR A 89 9.138 5.816 -2.574 1.00 0.00 H new ATOM 0 HD2 TYR A 89 10.188 8.371 0.672 1.00 0.00 H new ATOM 0 HE1 TYR A 89 7.021 5.267 -1.456 1.00 0.00 H new ATOM 0 HE2 TYR A 89 8.074 7.819 1.792 1.00 0.00 H new ATOM 0 HH TYR A 89 6.183 6.682 1.714 1.00 0.00 H new ATOM 1349 N TYR A 90 9.719 7.674 -5.092 1.00 0.00 N ATOM 1350 CA TYR A 90 9.246 6.830 -6.182 1.00 0.00 C ATOM 1351 C TYR A 90 9.769 7.343 -7.525 1.00 0.00 C ATOM 1352 O TYR A 90 9.438 8.452 -7.937 1.00 0.00 O ATOM 1353 CB TYR A 90 7.716 6.795 -6.199 1.00 0.00 C ATOM 1354 CG TYR A 90 7.137 5.427 -5.913 1.00 0.00 C ATOM 1355 CD1 TYR A 90 7.022 4.477 -6.920 1.00 0.00 C ATOM 1356 CD2 TYR A 90 6.704 5.087 -4.638 1.00 0.00 C ATOM 1357 CE1 TYR A 90 6.492 3.228 -6.665 1.00 0.00 C ATOM 1358 CE2 TYR A 90 6.173 3.838 -4.374 1.00 0.00 C ATOM 1359 CZ TYR A 90 6.069 2.913 -5.391 1.00 0.00 C ATOM 1360 OH TYR A 90 5.541 1.669 -5.132 1.00 0.00 O ATOM 0 H TYR A 90 9.385 8.637 -5.131 1.00 0.00 H new ATOM 0 HA TYR A 90 9.624 5.820 -6.022 1.00 0.00 H new ATOM 0 HB2 TYR A 90 7.337 7.502 -5.461 1.00 0.00 H new ATOM 0 HB3 TYR A 90 7.364 7.132 -7.174 1.00 0.00 H new ATOM 0 HD1 TYR A 90 7.353 4.720 -7.919 1.00 0.00 H new ATOM 0 HD2 TYR A 90 6.783 5.810 -3.840 1.00 0.00 H new ATOM 0 HE1 TYR A 90 6.409 2.501 -7.460 1.00 0.00 H new ATOM 0 HE2 TYR A 90 5.842 3.588 -3.377 1.00 0.00 H new ATOM 0 HH TYR A 90 5.349 1.588 -4.174 1.00 0.00 H new ATOM 1370 N PRO A 91 10.597 6.540 -8.222 1.00 0.00 N ATOM 1371 CA PRO A 91 11.169 6.919 -9.524 1.00 0.00 C ATOM 1372 C PRO A 91 10.101 7.181 -10.584 1.00 0.00 C ATOM 1373 O PRO A 91 9.034 6.569 -10.566 1.00 0.00 O ATOM 1374 CB PRO A 91 12.019 5.705 -9.919 1.00 0.00 C ATOM 1375 CG PRO A 91 12.261 4.969 -8.648 1.00 0.00 C ATOM 1376 CD PRO A 91 11.045 5.203 -7.800 1.00 0.00 C ATOM 0 HA PRO A 91 11.734 7.848 -9.453 1.00 0.00 H new ATOM 0 HB2 PRO A 91 11.499 5.079 -10.644 1.00 0.00 H new ATOM 0 HB3 PRO A 91 12.957 6.014 -10.380 1.00 0.00 H new ATOM 0 HG2 PRO A 91 12.408 3.905 -8.835 1.00 0.00 H new ATOM 0 HG3 PRO A 91 13.160 5.333 -8.151 1.00 0.00 H new ATOM 0 HD2 PRO A 91 10.279 4.447 -7.975 1.00 0.00 H new ATOM 0 HD3 PRO A 91 11.283 5.174 -6.737 1.00 0.00 H new ATOM 1384 N LYS A 92 10.405 8.093 -11.507 1.00 0.00 N ATOM 1385 CA LYS A 92 9.483 8.440 -12.589 1.00 0.00 C ATOM 1386 C LYS A 92 9.203 7.226 -13.475 1.00 0.00 C ATOM 1387 O LYS A 92 9.695 7.142 -14.600 1.00 0.00 O ATOM 1388 CB LYS A 92 10.075 9.573 -13.434 1.00 0.00 C ATOM 1389 CG LYS A 92 9.040 10.561 -13.946 1.00 0.00 C ATOM 1390 CD LYS A 92 8.238 9.982 -15.100 1.00 0.00 C ATOM 1391 CE LYS A 92 8.834 10.371 -16.443 1.00 0.00 C ATOM 1392 NZ LYS A 92 8.408 11.733 -16.868 1.00 0.00 N ATOM 0 H LYS A 92 11.286 8.607 -11.527 1.00 0.00 H new ATOM 0 HA LYS A 92 8.543 8.769 -12.147 1.00 0.00 H new ATOM 0 HB2 LYS A 92 10.813 10.110 -12.839 1.00 0.00 H new ATOM 0 HB3 LYS A 92 10.604 9.142 -14.284 1.00 0.00 H new ATOM 0 HG2 LYS A 92 8.366 10.836 -13.135 1.00 0.00 H new ATOM 0 HG3 LYS A 92 9.538 11.475 -14.270 1.00 0.00 H new ATOM 0 HD2 LYS A 92 8.208 8.896 -15.015 1.00 0.00 H new ATOM 0 HD3 LYS A 92 7.208 10.335 -15.042 1.00 0.00 H new ATOM 0 HE2 LYS A 92 9.922 10.334 -16.382 1.00 0.00 H new ATOM 0 HE3 LYS A 92 8.532 9.645 -17.198 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 8.836 11.959 -17.788 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 7.372 11.762 -16.952 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 8.718 12.430 -16.161 1.00 0.00 H new ATOM 1406 N ARG A 93 8.421 6.282 -12.959 1.00 0.00 N ATOM 1407 CA ARG A 93 8.096 5.069 -13.708 1.00 0.00 C ATOM 1408 C ARG A 93 6.588 4.867 -13.845 1.00 0.00 C ATOM 1409 O ARG A 93 5.790 5.663 -13.348 1.00 0.00 O ATOM 1410 CB ARG A 93 8.724 3.849 -13.030 1.00 0.00 C ATOM 1411 CG ARG A 93 10.005 3.375 -13.699 1.00 0.00 C ATOM 1412 CD ARG A 93 9.763 2.963 -15.142 1.00 0.00 C ATOM 1413 NE ARG A 93 10.801 3.470 -16.037 1.00 0.00 N ATOM 1414 CZ ARG A 93 10.658 3.570 -17.357 1.00 0.00 C ATOM 1415 NH1 ARG A 93 9.524 3.197 -17.938 1.00 0.00 N ATOM 1416 NH2 ARG A 93 11.651 4.042 -18.097 1.00 0.00 N ATOM 0 H ARG A 93 8.002 6.331 -12.030 1.00 0.00 H new ATOM 0 HA ARG A 93 8.507 5.185 -14.711 1.00 0.00 H new ATOM 0 HB2 ARG A 93 8.936 4.091 -11.988 1.00 0.00 H new ATOM 0 HB3 ARG A 93 8.002 3.033 -13.027 1.00 0.00 H new ATOM 0 HG2 ARG A 93 10.749 4.171 -13.667 1.00 0.00 H new ATOM 0 HG3 ARG A 93 10.416 2.532 -13.143 1.00 0.00 H new ATOM 0 HD2 ARG A 93 9.727 1.876 -15.207 1.00 0.00 H new ATOM 0 HD3 ARG A 93 8.791 3.334 -15.467 1.00 0.00 H new ATOM 0 HE ARG A 93 11.687 3.765 -15.626 1.00 0.00 H new ATOM 0 HH11 ARG A 93 8.757 2.832 -17.373 1.00 0.00 H new ATOM 0 HH12 ARG A 93 9.419 3.276 -18.950 1.00 0.00 H new ATOM 0 HH21 ARG A 93 12.525 4.329 -17.655 1.00 0.00 H new ATOM 0 HH22 ARG A 93 11.542 4.119 -19.108 1.00 0.00 H new ATOM 1430 N TYR A 94 6.214 3.783 -14.521 1.00 0.00 N ATOM 1431 CA TYR A 94 4.811 3.440 -14.733 1.00 0.00 C ATOM 1432 C TYR A 94 4.359 2.379 -13.732 1.00 0.00 C ATOM 1433 O TYR A 94 5.042 1.374 -13.533 1.00 0.00 O ATOM 1434 CB TYR A 94 4.603 2.930 -16.159 1.00 0.00 C ATOM 1435 CG TYR A 94 4.368 4.031 -17.165 1.00 0.00 C ATOM 1436 CD1 TYR A 94 5.369 4.944 -17.466 1.00 0.00 C ATOM 1437 CD2 TYR A 94 3.147 4.157 -17.813 1.00 0.00 C ATOM 1438 CE1 TYR A 94 5.161 5.954 -18.384 1.00 0.00 C ATOM 1439 CE2 TYR A 94 2.930 5.164 -18.733 1.00 0.00 C ATOM 1440 CZ TYR A 94 3.939 6.060 -19.016 1.00 0.00 C ATOM 1441 OH TYR A 94 3.726 7.064 -19.932 1.00 0.00 O ATOM 0 H TYR A 94 6.871 3.122 -14.935 1.00 0.00 H new ATOM 0 HA TYR A 94 4.212 4.338 -14.583 1.00 0.00 H new ATOM 0 HB2 TYR A 94 5.477 2.353 -16.461 1.00 0.00 H new ATOM 0 HB3 TYR A 94 3.752 2.249 -16.172 1.00 0.00 H new ATOM 0 HD1 TYR A 94 6.327 4.863 -16.974 1.00 0.00 H new ATOM 0 HD2 TYR A 94 2.354 3.457 -17.594 1.00 0.00 H new ATOM 0 HE1 TYR A 94 5.950 6.657 -18.606 1.00 0.00 H new ATOM 0 HE2 TYR A 94 1.974 5.249 -19.229 1.00 0.00 H new ATOM 0 HH TYR A 94 2.814 6.997 -20.285 1.00 0.00 H new ATOM 1451 N GLN A 95 3.211 2.607 -13.101 1.00 0.00 N ATOM 1452 CA GLN A 95 2.684 1.664 -12.118 1.00 0.00 C ATOM 1453 C GLN A 95 1.212 1.357 -12.380 1.00 0.00 C ATOM 1454 O GLN A 95 0.403 2.266 -12.560 1.00 0.00 O ATOM 1455 CB GLN A 95 2.860 2.221 -10.705 1.00 0.00 C ATOM 1456 CG GLN A 95 4.299 2.190 -10.216 1.00 0.00 C ATOM 1457 CD GLN A 95 4.508 1.216 -9.075 1.00 0.00 C ATOM 1458 OE1 GLN A 95 4.884 0.063 -9.289 1.00 0.00 O ATOM 1459 NE2 GLN A 95 4.263 1.675 -7.853 1.00 0.00 N ATOM 0 H GLN A 95 2.630 3.432 -13.251 1.00 0.00 H new ATOM 0 HA GLN A 95 3.246 0.734 -12.209 1.00 0.00 H new ATOM 0 HB2 GLN A 95 2.498 3.249 -10.681 1.00 0.00 H new ATOM 0 HB3 GLN A 95 2.238 1.648 -10.017 1.00 0.00 H new ATOM 0 HG2 GLN A 95 4.954 1.919 -11.044 1.00 0.00 H new ATOM 0 HG3 GLN A 95 4.590 3.189 -9.893 1.00 0.00 H new ATOM 0 HE21 GLN A 95 3.953 2.638 -7.723 1.00 0.00 H new ATOM 0 HE22 GLN A 95 4.385 1.065 -7.045 1.00 0.00 H new ATOM 1468 N SER A 96 0.870 0.070 -12.404 1.00 0.00 N ATOM 1469 CA SER A 96 -0.509 -0.344 -12.654 1.00 0.00 C ATOM 1470 C SER A 96 -1.220 -0.753 -11.364 1.00 0.00 C ATOM 1471 O SER A 96 -0.601 -1.287 -10.443 1.00 0.00 O ATOM 1472 CB SER A 96 -0.538 -1.502 -13.652 1.00 0.00 C ATOM 1473 OG SER A 96 -0.316 -2.743 -13.003 1.00 0.00 O ATOM 0 H SER A 96 1.523 -0.699 -12.255 1.00 0.00 H new ATOM 0 HA SER A 96 -1.039 0.512 -13.072 1.00 0.00 H new ATOM 0 HB2 SER A 96 -1.501 -1.522 -14.162 1.00 0.00 H new ATOM 0 HB3 SER A 96 0.224 -1.347 -14.416 1.00 0.00 H new ATOM 0 HG SER A 96 -0.341 -3.467 -13.663 1.00 0.00 H new ATOM 1479 N HIS A 97 -2.531 -0.509 -11.318 1.00 0.00 N ATOM 1480 CA HIS A 97 -3.354 -0.857 -10.157 1.00 0.00 C ATOM 1481 C HIS A 97 -3.106 0.088 -8.978 1.00 0.00 C ATOM 1482 O HIS A 97 -2.774 -0.349 -7.873 1.00 0.00 O ATOM 1483 CB HIS A 97 -3.100 -2.310 -9.737 1.00 0.00 C ATOM 1484 CG HIS A 97 -4.298 -3.195 -9.893 1.00 0.00 C ATOM 1485 ND1 HIS A 97 -5.580 -2.786 -9.592 1.00 0.00 N ATOM 1486 CD2 HIS A 97 -4.404 -4.474 -10.325 1.00 0.00 C ATOM 1487 CE1 HIS A 97 -6.423 -3.775 -9.830 1.00 0.00 C ATOM 1488 NE2 HIS A 97 -5.735 -4.809 -10.277 1.00 0.00 N ATOM 0 H HIS A 97 -3.049 -0.068 -12.078 1.00 0.00 H new ATOM 0 HA HIS A 97 -4.398 -0.748 -10.452 1.00 0.00 H new ATOM 0 HB2 HIS A 97 -2.280 -2.714 -10.331 1.00 0.00 H new ATOM 0 HB3 HIS A 97 -2.778 -2.328 -8.696 1.00 0.00 H new ATOM 0 HD1 HIS A 97 -5.837 -1.864 -9.240 1.00 0.00 H new ATOM 0 HD2 HIS A 97 -3.594 -5.111 -10.647 1.00 0.00 H new ATOM 0 HE1 HIS A 97 -7.493 -3.743 -9.684 1.00 0.00 H new ATOM 1497 N VAL A 98 -3.285 1.388 -9.212 1.00 0.00 N ATOM 1498 CA VAL A 98 -3.092 2.378 -8.155 1.00 0.00 C ATOM 1499 C VAL A 98 -4.347 3.221 -7.959 1.00 0.00 C ATOM 1500 O VAL A 98 -5.035 3.550 -8.921 1.00 0.00 O ATOM 1501 CB VAL A 98 -1.883 3.299 -8.448 1.00 0.00 C ATOM 1502 CG1 VAL A 98 -2.137 4.198 -9.640 1.00 0.00 C ATOM 1503 CG2 VAL A 98 -1.535 4.143 -7.239 1.00 0.00 C ATOM 0 H VAL A 98 -3.560 1.776 -10.114 1.00 0.00 H new ATOM 0 HA VAL A 98 -2.888 1.827 -7.237 1.00 0.00 H new ATOM 0 HB VAL A 98 -1.041 2.648 -8.683 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -1.265 4.829 -9.813 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -2.324 3.587 -10.523 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -3.006 4.826 -9.443 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -0.682 4.780 -7.473 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -2.389 4.764 -6.971 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -1.283 3.492 -6.402 1.00 0.00 H new ATOM 1513 N LEU A 99 -4.638 3.570 -6.710 1.00 0.00 N ATOM 1514 CA LEU A 99 -5.807 4.379 -6.392 1.00 0.00 C ATOM 1515 C LEU A 99 -5.388 5.811 -6.072 1.00 0.00 C ATOM 1516 O LEU A 99 -4.337 6.036 -5.474 1.00 0.00 O ATOM 1517 CB LEU A 99 -6.565 3.780 -5.205 1.00 0.00 C ATOM 1518 CG LEU A 99 -7.485 2.607 -5.547 1.00 0.00 C ATOM 1519 CD1 LEU A 99 -6.683 1.446 -6.113 1.00 0.00 C ATOM 1520 CD2 LEU A 99 -8.267 2.168 -4.317 1.00 0.00 C ATOM 0 H LEU A 99 -4.078 3.304 -5.900 1.00 0.00 H new ATOM 0 HA LEU A 99 -6.466 4.388 -7.260 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -5.840 3.448 -4.461 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -7.161 4.566 -4.741 1.00 0.00 H new ATOM 0 HG LEU A 99 -8.194 2.936 -6.307 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -7.355 0.621 -6.350 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -6.168 1.767 -7.019 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -5.950 1.117 -5.376 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -8.917 1.333 -4.578 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -7.573 1.858 -3.536 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -8.872 2.999 -3.955 1.00 0.00 H new ATOM 1532 N LEU A 100 -6.205 6.779 -6.480 1.00 0.00 N ATOM 1533 CA LEU A 100 -5.886 8.182 -6.232 1.00 0.00 C ATOM 1534 C LEU A 100 -7.082 8.956 -5.680 1.00 0.00 C ATOM 1535 O LEU A 100 -8.221 8.749 -6.100 1.00 0.00 O ATOM 1536 CB LEU A 100 -5.372 8.840 -7.515 1.00 0.00 C ATOM 1537 CG LEU A 100 -3.848 8.962 -7.607 1.00 0.00 C ATOM 1538 CD1 LEU A 100 -3.436 9.555 -8.941 1.00 0.00 C ATOM 1539 CD2 LEU A 100 -3.311 9.811 -6.466 1.00 0.00 C ATOM 0 H LEU A 100 -7.081 6.621 -6.977 1.00 0.00 H new ATOM 0 HA LEU A 100 -5.105 8.211 -5.473 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -5.729 8.265 -8.370 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -5.808 9.836 -7.596 1.00 0.00 H new ATOM 0 HG LEU A 100 -3.422 7.962 -7.528 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -2.350 9.633 -8.985 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -3.787 8.912 -9.749 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -3.875 10.547 -9.050 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -2.227 9.887 -6.548 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -3.749 10.808 -6.517 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -3.572 9.348 -5.514 1.00 0.00 H new ATOM 1551 N ALA A 101 -6.805 9.860 -4.740 1.00 0.00 N ATOM 1552 CA ALA A 101 -7.840 10.687 -4.124 1.00 0.00 C ATOM 1553 C ALA A 101 -7.272 12.027 -3.676 1.00 0.00 C ATOM 1554 O ALA A 101 -6.130 12.106 -3.230 1.00 0.00 O ATOM 1555 CB ALA A 101 -8.462 9.976 -2.934 1.00 0.00 C ATOM 0 H ALA A 101 -5.865 10.038 -4.387 1.00 0.00 H new ATOM 0 HA ALA A 101 -8.610 10.863 -4.875 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -9.230 10.611 -2.491 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -8.911 9.039 -3.264 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -7.692 9.767 -2.192 1.00 0.00 H new ATOM 1561 N THR A 102 -8.075 13.078 -3.783 1.00 0.00 N ATOM 1562 CA THR A 102 -7.639 14.407 -3.376 1.00 0.00 C ATOM 1563 C THR A 102 -8.184 14.763 -1.998 1.00 0.00 C ATOM 1564 O THR A 102 -9.391 14.706 -1.761 1.00 0.00 O ATOM 1565 CB THR A 102 -8.073 15.451 -4.406 1.00 0.00 C ATOM 1566 OG1 THR A 102 -7.946 16.760 -3.879 1.00 0.00 O ATOM 1567 CG2 THR A 102 -9.504 15.280 -4.869 1.00 0.00 C ATOM 0 H THR A 102 -9.027 13.036 -4.146 1.00 0.00 H new ATOM 0 HA THR A 102 -6.550 14.403 -3.320 1.00 0.00 H new ATOM 0 HB THR A 102 -7.412 15.303 -5.260 1.00 0.00 H new ATOM 0 HG1 THR A 102 -7.044 16.880 -3.515 1.00 0.00 H new ATOM 0 HG21 THR A 102 -9.745 16.053 -5.598 1.00 0.00 H new ATOM 0 HG22 THR A 102 -9.623 14.299 -5.328 1.00 0.00 H new ATOM 0 HG23 THR A 102 -10.175 15.365 -4.015 1.00 0.00 H new ATOM 1575 N GLY A 103 -7.283 15.126 -1.088 1.00 0.00 N ATOM 1576 CA GLY A 103 -7.689 15.482 0.262 1.00 0.00 C ATOM 1577 C GLY A 103 -8.335 16.851 0.332 1.00 0.00 C ATOM 1578 O GLY A 103 -9.376 17.021 0.967 1.00 0.00 O ATOM 0 H GLY A 103 -6.279 15.180 -1.261 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -8.388 14.734 0.637 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -6.818 15.461 0.917 1.00 0.00 H new ATOM 1678 N GLY A 112 2.380 4.741 5.028 1.00 0.00 N ATOM 1679 CA GLY A 112 1.153 4.213 5.593 1.00 0.00 C ATOM 1680 C GLY A 112 0.413 3.311 4.624 1.00 0.00 C ATOM 1681 O GLY A 112 0.815 3.167 3.470 1.00 0.00 O ATOM 0 HA2 GLY A 112 1.384 3.655 6.500 1.00 0.00 H new ATOM 0 HA3 GLY A 112 0.505 5.040 5.884 1.00 0.00 H new ATOM 1685 N ILE A 113 -0.671 2.703 5.093 1.00 0.00 N ATOM 1686 CA ILE A 113 -1.468 1.812 4.258 1.00 0.00 C ATOM 1687 C ILE A 113 -2.935 2.231 4.248 1.00 0.00 C ATOM 1688 O ILE A 113 -3.458 2.723 5.247 1.00 0.00 O ATOM 1689 CB ILE A 113 -1.364 0.347 4.733 1.00 0.00 C ATOM 1690 CG1 ILE A 113 -1.906 0.206 6.158 1.00 0.00 C ATOM 1691 CG2 ILE A 113 0.077 -0.136 4.660 1.00 0.00 C ATOM 1692 CD1 ILE A 113 -3.347 -0.254 6.213 1.00 0.00 C ATOM 0 H ILE A 113 -1.018 2.811 6.046 1.00 0.00 H new ATOM 0 HA ILE A 113 -1.066 1.885 3.247 1.00 0.00 H new ATOM 0 HB ILE A 113 -1.969 -0.274 4.072 1.00 0.00 H new ATOM 0 HG12 ILE A 113 -1.285 -0.503 6.706 1.00 0.00 H new ATOM 0 HG13 ILE A 113 -1.819 1.166 6.668 1.00 0.00 H new ATOM 0 HG21 ILE A 113 0.132 -1.171 4.999 1.00 0.00 H new ATOM 0 HG22 ILE A 113 0.431 -0.072 3.631 1.00 0.00 H new ATOM 0 HG23 ILE A 113 0.703 0.488 5.298 1.00 0.00 H new ATOM 0 HD11 ILE A 113 -3.665 -0.332 7.253 1.00 0.00 H new ATOM 0 HD12 ILE A 113 -3.979 0.466 5.694 1.00 0.00 H new ATOM 0 HD13 ILE A 113 -3.437 -1.228 5.732 1.00 0.00 H new ATOM 1704 N LEU A 114 -3.595 2.026 3.112 1.00 0.00 N ATOM 1705 CA LEU A 114 -5.005 2.377 2.973 1.00 0.00 C ATOM 1706 C LEU A 114 -5.881 1.216 3.430 1.00 0.00 C ATOM 1707 O LEU A 114 -5.861 0.139 2.834 1.00 0.00 O ATOM 1708 CB LEU A 114 -5.319 2.740 1.517 1.00 0.00 C ATOM 1709 CG LEU A 114 -6.806 2.762 1.147 1.00 0.00 C ATOM 1710 CD1 LEU A 114 -7.603 3.573 2.155 1.00 0.00 C ATOM 1711 CD2 LEU A 114 -6.996 3.316 -0.257 1.00 0.00 C ATOM 0 H LEU A 114 -3.177 1.619 2.275 1.00 0.00 H new ATOM 0 HA LEU A 114 -5.216 3.243 3.601 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -4.896 3.722 1.307 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -4.811 2.028 0.866 1.00 0.00 H new ATOM 0 HG LEU A 114 -7.178 1.738 1.168 1.00 0.00 H new ATOM 0 HD11 LEU A 114 -8.655 3.574 1.871 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -7.495 3.130 3.145 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -7.231 4.598 2.173 1.00 0.00 H new ATOM 0 HD21 LEU A 114 -8.058 3.325 -0.504 1.00 0.00 H new ATOM 0 HD22 LEU A 114 -6.604 4.332 -0.303 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -6.462 2.689 -0.971 1.00 0.00 H new ATOM 1723 N ARG A 115 -6.641 1.436 4.498 1.00 0.00 N ATOM 1724 CA ARG A 115 -7.510 0.398 5.036 1.00 0.00 C ATOM 1725 C ARG A 115 -8.979 0.806 4.979 1.00 0.00 C ATOM 1726 O ARG A 115 -9.320 1.985 5.098 1.00 0.00 O ATOM 1727 CB ARG A 115 -7.114 0.074 6.478 1.00 0.00 C ATOM 1728 CG ARG A 115 -7.365 1.213 7.452 1.00 0.00 C ATOM 1729 CD ARG A 115 -6.291 1.273 8.528 1.00 0.00 C ATOM 1730 NE ARG A 115 -6.679 0.541 9.732 1.00 0.00 N ATOM 1731 CZ ARG A 115 -6.420 -0.750 9.937 1.00 0.00 C ATOM 1732 NH1 ARG A 115 -5.777 -1.463 9.020 1.00 0.00 N ATOM 1733 NH2 ARG A 115 -6.806 -1.330 11.065 1.00 0.00 N ATOM 0 H ARG A 115 -6.672 2.320 5.006 1.00 0.00 H new ATOM 0 HA ARG A 115 -7.386 -0.490 4.417 1.00 0.00 H new ATOM 0 HB2 ARG A 115 -7.669 -0.804 6.809 1.00 0.00 H new ATOM 0 HB3 ARG A 115 -6.056 -0.188 6.505 1.00 0.00 H new ATOM 0 HG2 ARG A 115 -7.391 2.158 6.909 1.00 0.00 H new ATOM 0 HG3 ARG A 115 -8.342 1.086 7.918 1.00 0.00 H new ATOM 0 HD2 ARG A 115 -5.362 0.859 8.136 1.00 0.00 H new ATOM 0 HD3 ARG A 115 -6.093 2.314 8.785 1.00 0.00 H new ATOM 0 HE ARG A 115 -7.179 1.050 10.461 1.00 0.00 H new ATOM 0 HH11 ARG A 115 -5.477 -1.023 8.150 1.00 0.00 H new ATOM 0 HH12 ARG A 115 -5.583 -2.451 9.186 1.00 0.00 H new ATOM 0 HH21 ARG A 115 -7.300 -0.788 11.774 1.00 0.00 H new ATOM 0 HH22 ARG A 115 -6.609 -2.318 11.224 1.00 0.00 H new ATOM 1747 N CYS A 116 -9.841 -0.188 4.805 1.00 0.00 N ATOM 1748 CA CYS A 116 -11.278 0.032 4.741 1.00 0.00 C ATOM 1749 C CYS A 116 -11.947 -0.516 5.994 1.00 0.00 C ATOM 1750 O CYS A 116 -11.346 -1.294 6.735 1.00 0.00 O ATOM 1751 CB CYS A 116 -11.861 -0.652 3.500 1.00 0.00 C ATOM 1752 SG CYS A 116 -13.511 -0.052 3.011 1.00 0.00 S ATOM 0 H CYS A 116 -9.564 -1.165 4.705 1.00 0.00 H new ATOM 0 HA CYS A 116 -11.466 1.104 4.677 1.00 0.00 H new ATOM 0 HB2 CYS A 116 -11.174 -0.509 2.666 1.00 0.00 H new ATOM 0 HB3 CYS A 116 -11.919 -1.725 3.685 1.00 0.00 H new ATOM 0 HG CYS A 116 -14.411 -0.923 3.360 1.00 0.00 H new ATOM 1757 N GLU A 117 -13.193 -0.121 6.228 1.00 0.00 N ATOM 1758 CA GLU A 117 -13.931 -0.595 7.394 1.00 0.00 C ATOM 1759 C GLU A 117 -13.976 -2.122 7.418 1.00 0.00 C ATOM 1760 O GLU A 117 -14.208 -2.730 8.464 1.00 0.00 O ATOM 1761 CB GLU A 117 -15.352 -0.028 7.395 1.00 0.00 C ATOM 1762 CG GLU A 117 -16.022 -0.061 6.030 1.00 0.00 C ATOM 1763 CD GLU A 117 -17.458 -0.543 6.096 1.00 0.00 C ATOM 1764 OE1 GLU A 117 -17.741 -1.460 6.896 1.00 0.00 O ATOM 1765 OE2 GLU A 117 -18.301 -0.003 5.349 1.00 0.00 O ATOM 0 H GLU A 117 -13.712 0.522 5.630 1.00 0.00 H new ATOM 0 HA GLU A 117 -13.414 -0.248 8.289 1.00 0.00 H new ATOM 0 HB2 GLU A 117 -15.959 -0.593 8.102 1.00 0.00 H new ATOM 0 HB3 GLU A 117 -15.323 1.002 7.751 1.00 0.00 H new ATOM 0 HG2 GLU A 117 -15.998 0.937 5.593 1.00 0.00 H new ATOM 0 HG3 GLU A 117 -15.454 -0.713 5.366 1.00 0.00 H new ATOM 1772 N HIS A 118 -13.754 -2.737 6.257 1.00 0.00 N ATOM 1773 CA HIS A 118 -13.769 -4.188 6.141 1.00 0.00 C ATOM 1774 C HIS A 118 -12.385 -4.781 6.410 1.00 0.00 C ATOM 1775 O HIS A 118 -12.267 -5.851 7.005 1.00 0.00 O ATOM 1776 CB HIS A 118 -14.250 -4.596 4.747 1.00 0.00 C ATOM 1777 CG HIS A 118 -15.575 -4.002 4.374 1.00 0.00 C ATOM 1778 ND1 HIS A 118 -15.752 -2.660 4.111 1.00 0.00 N ATOM 1779 CD2 HIS A 118 -16.792 -4.577 4.221 1.00 0.00 C ATOM 1780 CE1 HIS A 118 -17.018 -2.433 3.812 1.00 0.00 C ATOM 1781 NE2 HIS A 118 -17.670 -3.579 3.872 1.00 0.00 N ATOM 0 H HIS A 118 -13.561 -2.248 5.383 1.00 0.00 H new ATOM 0 HA HIS A 118 -14.456 -4.580 6.891 1.00 0.00 H new ATOM 0 HB2 HIS A 118 -13.505 -4.293 4.011 1.00 0.00 H new ATOM 0 HB3 HIS A 118 -14.322 -5.683 4.700 1.00 0.00 H new ATOM 0 HD2 HIS A 118 -17.028 -5.623 4.349 1.00 0.00 H new ATOM 0 HE1 HIS A 118 -17.447 -1.474 3.561 1.00 0.00 H new ATOM 0 HE2 HIS A 118 -18.666 -3.704 3.689 1.00 0.00 H new ATOM 1789 N GLY A 119 -11.339 -4.082 5.967 1.00 0.00 N ATOM 1790 CA GLY A 119 -9.984 -4.571 6.177 1.00 0.00 C ATOM 1791 C GLY A 119 -8.926 -3.667 5.574 1.00 0.00 C ATOM 1792 O GLY A 119 -8.977 -2.447 5.723 1.00 0.00 O ATOM 0 H GLY A 119 -11.405 -3.193 5.471 1.00 0.00 H new ATOM 0 HA2 GLY A 119 -9.802 -4.671 7.247 1.00 0.00 H new ATOM 0 HA3 GLY A 119 -9.892 -5.567 5.744 1.00 0.00 H new ATOM 1796 N VAL A 120 -7.959 -4.279 4.900 1.00 0.00 N ATOM 1797 CA VAL A 120 -6.864 -3.545 4.269 1.00 0.00 C ATOM 1798 C VAL A 120 -7.048 -3.462 2.757 1.00 0.00 C ATOM 1799 O VAL A 120 -7.384 -4.452 2.108 1.00 0.00 O ATOM 1800 CB VAL A 120 -5.498 -4.205 4.553 1.00 0.00 C ATOM 1801 CG1 VAL A 120 -4.367 -3.243 4.236 1.00 0.00 C ATOM 1802 CG2 VAL A 120 -5.407 -4.688 5.992 1.00 0.00 C ATOM 0 H VAL A 120 -7.910 -5.290 4.775 1.00 0.00 H new ATOM 0 HA VAL A 120 -6.881 -2.543 4.699 1.00 0.00 H new ATOM 0 HB VAL A 120 -5.404 -5.076 3.905 1.00 0.00 H new ATOM 0 HG11 VAL A 120 -3.411 -3.725 4.442 1.00 0.00 H new ATOM 0 HG12 VAL A 120 -4.412 -2.962 3.184 1.00 0.00 H new ATOM 0 HG13 VAL A 120 -4.464 -2.351 4.854 1.00 0.00 H new ATOM 0 HG21 VAL A 120 -4.433 -5.148 6.161 1.00 0.00 H new ATOM 0 HG22 VAL A 120 -5.531 -3.842 6.668 1.00 0.00 H new ATOM 0 HG23 VAL A 120 -6.192 -5.421 6.180 1.00 0.00 H new ATOM 1812 N ILE A 121 -6.817 -2.278 2.200 1.00 0.00 N ATOM 1813 CA ILE A 121 -6.945 -2.077 0.761 1.00 0.00 C ATOM 1814 C ILE A 121 -5.583 -2.160 0.080 1.00 0.00 C ATOM 1815 O ILE A 121 -5.320 -3.080 -0.694 1.00 0.00 O ATOM 1816 CB ILE A 121 -7.576 -0.712 0.431 1.00 0.00 C ATOM 1817 CG1 ILE A 121 -8.920 -0.551 1.164 1.00 0.00 C ATOM 1818 CG2 ILE A 121 -7.729 -0.547 -1.079 1.00 0.00 C ATOM 1819 CD1 ILE A 121 -10.137 -0.524 0.259 1.00 0.00 C ATOM 0 H ILE A 121 -6.541 -1.446 2.721 1.00 0.00 H new ATOM 0 HA ILE A 121 -7.596 -2.869 0.390 1.00 0.00 H new ATOM 0 HB ILE A 121 -6.914 0.080 0.782 1.00 0.00 H new ATOM 0 HG12 ILE A 121 -9.031 -1.370 1.875 1.00 0.00 H new ATOM 0 HG13 ILE A 121 -8.894 0.372 1.743 1.00 0.00 H new ATOM 0 HG21 ILE A 121 -8.177 0.423 -1.296 1.00 0.00 H new ATOM 0 HG22 ILE A 121 -6.749 -0.609 -1.553 1.00 0.00 H new ATOM 0 HG23 ILE A 121 -8.371 -1.338 -1.468 1.00 0.00 H new ATOM 0 HD11 ILE A 121 -11.037 -0.408 0.863 1.00 0.00 H new ATOM 0 HD12 ILE A 121 -10.055 0.312 -0.436 1.00 0.00 H new ATOM 0 HD13 ILE A 121 -10.194 -1.457 -0.302 1.00 0.00 H new ATOM 1831 N GLY A 122 -4.723 -1.188 0.370 1.00 0.00 N ATOM 1832 CA GLY A 122 -3.403 -1.167 -0.230 1.00 0.00 C ATOM 1833 C GLY A 122 -2.395 -0.374 0.581 1.00 0.00 C ATOM 1834 O GLY A 122 -2.656 -0.007 1.727 1.00 0.00 O ATOM 0 H GLY A 122 -4.917 -0.417 1.008 1.00 0.00 H new ATOM 0 HA2 GLY A 122 -3.045 -2.190 -0.343 1.00 0.00 H new ATOM 0 HA3 GLY A 122 -3.472 -0.741 -1.231 1.00 0.00 H new ATOM 1838 N LEU A 123 -1.239 -0.111 -0.022 1.00 0.00 N ATOM 1839 CA LEU A 123 -0.177 0.643 0.634 1.00 0.00 C ATOM 1840 C LEU A 123 0.090 1.945 -0.111 1.00 0.00 C ATOM 1841 O LEU A 123 -0.341 2.115 -1.247 1.00 0.00 O ATOM 1842 CB LEU A 123 1.104 -0.191 0.707 1.00 0.00 C ATOM 1843 CG LEU A 123 1.487 -0.904 -0.591 1.00 0.00 C ATOM 1844 CD1 LEU A 123 2.994 -1.088 -0.673 1.00 0.00 C ATOM 1845 CD2 LEU A 123 0.779 -2.248 -0.688 1.00 0.00 C ATOM 0 H LEU A 123 -1.014 -0.412 -0.970 1.00 0.00 H new ATOM 0 HA LEU A 123 -0.500 0.879 1.648 1.00 0.00 H new ATOM 0 HB2 LEU A 123 1.927 0.460 1.003 1.00 0.00 H new ATOM 0 HB3 LEU A 123 0.989 -0.937 1.493 1.00 0.00 H new ATOM 0 HG LEU A 123 1.170 -0.286 -1.431 1.00 0.00 H new ATOM 0 HD11 LEU A 123 3.248 -1.597 -1.603 1.00 0.00 H new ATOM 0 HD12 LEU A 123 3.481 -0.113 -0.648 1.00 0.00 H new ATOM 0 HD13 LEU A 123 3.334 -1.686 0.173 1.00 0.00 H new ATOM 0 HD21 LEU A 123 1.062 -2.742 -1.617 1.00 0.00 H new ATOM 0 HD22 LEU A 123 1.067 -2.873 0.158 1.00 0.00 H new ATOM 0 HD23 LEU A 123 -0.300 -2.093 -0.674 1.00 0.00 H new ATOM 1857 N VAL A 124 0.791 2.869 0.533 1.00 0.00 N ATOM 1858 CA VAL A 124 1.096 4.158 -0.081 1.00 0.00 C ATOM 1859 C VAL A 124 2.139 4.027 -1.189 1.00 0.00 C ATOM 1860 O VAL A 124 3.135 3.319 -1.040 1.00 0.00 O ATOM 1861 CB VAL A 124 1.601 5.171 0.962 1.00 0.00 C ATOM 1862 CG1 VAL A 124 0.523 5.458 1.995 1.00 0.00 C ATOM 1863 CG2 VAL A 124 2.870 4.663 1.631 1.00 0.00 C ATOM 0 H VAL A 124 1.159 2.752 1.477 1.00 0.00 H new ATOM 0 HA VAL A 124 0.163 4.519 -0.514 1.00 0.00 H new ATOM 0 HB VAL A 124 1.837 6.104 0.449 1.00 0.00 H new ATOM 0 HG11 VAL A 124 0.899 6.176 2.724 1.00 0.00 H new ATOM 0 HG12 VAL A 124 -0.356 5.871 1.499 1.00 0.00 H new ATOM 0 HG13 VAL A 124 0.251 4.533 2.504 1.00 0.00 H new ATOM 0 HG21 VAL A 124 3.212 5.393 2.365 1.00 0.00 H new ATOM 0 HG22 VAL A 124 2.664 3.716 2.130 1.00 0.00 H new ATOM 0 HG23 VAL A 124 3.644 4.516 0.878 1.00 0.00 H new ATOM 1873 N THR A 125 1.908 4.733 -2.294 1.00 0.00 N ATOM 1874 CA THR A 125 2.832 4.721 -3.426 1.00 0.00 C ATOM 1875 C THR A 125 3.154 6.152 -3.859 1.00 0.00 C ATOM 1876 O THR A 125 4.086 6.761 -3.336 1.00 0.00 O ATOM 1877 CB THR A 125 2.269 3.908 -4.602 1.00 0.00 C ATOM 1878 OG1 THR A 125 2.857 4.328 -5.823 1.00 0.00 O ATOM 1879 CG2 THR A 125 0.765 4.009 -4.759 1.00 0.00 C ATOM 0 H THR A 125 1.086 5.322 -2.430 1.00 0.00 H new ATOM 0 HA THR A 125 3.754 4.236 -3.106 1.00 0.00 H new ATOM 0 HB THR A 125 2.515 2.872 -4.371 1.00 0.00 H new ATOM 0 HG1 THR A 125 3.783 4.010 -5.867 1.00 0.00 H new ATOM 0 HG21 THR A 125 0.447 3.407 -5.610 1.00 0.00 H new ATOM 0 HG22 THR A 125 0.279 3.643 -3.854 1.00 0.00 H new ATOM 0 HG23 THR A 125 0.486 5.049 -4.925 1.00 0.00 H new ATOM 1887 N MET A 126 2.381 6.698 -4.800 1.00 0.00 N ATOM 1888 CA MET A 126 2.612 8.061 -5.255 1.00 0.00 C ATOM 1889 C MET A 126 1.890 9.052 -4.348 1.00 0.00 C ATOM 1890 O MET A 126 0.812 8.760 -3.833 1.00 0.00 O ATOM 1891 CB MET A 126 2.143 8.236 -6.703 1.00 0.00 C ATOM 1892 CG MET A 126 3.259 8.628 -7.661 1.00 0.00 C ATOM 1893 SD MET A 126 4.208 10.052 -7.088 1.00 0.00 S ATOM 1894 CE MET A 126 5.628 9.239 -6.355 1.00 0.00 C ATOM 0 H MET A 126 1.601 6.221 -5.253 1.00 0.00 H new ATOM 0 HA MET A 126 3.683 8.258 -5.212 1.00 0.00 H new ATOM 0 HB2 MET A 126 1.692 7.305 -7.045 1.00 0.00 H new ATOM 0 HB3 MET A 126 1.364 8.998 -6.734 1.00 0.00 H new ATOM 0 HG2 MET A 126 3.931 7.780 -7.795 1.00 0.00 H new ATOM 0 HG3 MET A 126 2.830 8.852 -8.638 1.00 0.00 H new ATOM 0 HE1 MET A 126 5.828 9.670 -5.374 1.00 0.00 H new ATOM 0 HE2 MET A 126 5.423 8.174 -6.248 1.00 0.00 H new ATOM 0 HE3 MET A 126 6.498 9.378 -6.996 1.00 0.00 H new ATOM 1904 N GLY A 127 2.492 10.219 -4.148 1.00 0.00 N ATOM 1905 CA GLY A 127 1.885 11.225 -3.296 1.00 0.00 C ATOM 1906 C GLY A 127 2.160 12.635 -3.774 1.00 0.00 C ATOM 1907 O GLY A 127 3.278 13.134 -3.646 1.00 0.00 O ATOM 0 H GLY A 127 3.387 10.486 -4.559 1.00 0.00 H new ATOM 0 HA2 GLY A 127 0.808 11.062 -3.258 1.00 0.00 H new ATOM 0 HA3 GLY A 127 2.261 11.110 -2.279 1.00 0.00 H new ATOM 1911 N GLY A 128 1.137 13.282 -4.324 1.00 0.00 N ATOM 1912 CA GLY A 128 1.297 14.640 -4.809 1.00 0.00 C ATOM 1913 C GLY A 128 0.968 15.674 -3.752 1.00 0.00 C ATOM 1914 O GLY A 128 0.837 15.346 -2.573 1.00 0.00 O ATOM 0 H GLY A 128 0.202 12.891 -4.442 1.00 0.00 H new ATOM 0 HA2 GLY A 128 2.323 14.784 -5.147 1.00 0.00 H new ATOM 0 HA3 GLY A 128 0.652 14.792 -5.675 1.00 0.00 H new ATOM 1918 N GLU A 129 0.831 16.926 -4.174 1.00 0.00 N ATOM 1919 CA GLU A 129 0.511 18.012 -3.254 1.00 0.00 C ATOM 1920 C GLU A 129 -0.997 18.244 -3.179 1.00 0.00 C ATOM 1921 O GLU A 129 -1.449 19.295 -2.722 1.00 0.00 O ATOM 1922 CB GLU A 129 1.216 19.299 -3.690 1.00 0.00 C ATOM 1923 CG GLU A 129 2.701 19.120 -3.956 1.00 0.00 C ATOM 1924 CD GLU A 129 3.274 20.220 -4.827 1.00 0.00 C ATOM 1925 OE1 GLU A 129 3.348 21.373 -4.353 1.00 0.00 O ATOM 1926 OE2 GLU A 129 3.651 19.929 -5.982 1.00 0.00 O ATOM 0 H GLU A 129 0.936 17.214 -5.147 1.00 0.00 H new ATOM 0 HA GLU A 129 0.863 17.728 -2.262 1.00 0.00 H new ATOM 0 HB2 GLU A 129 0.737 19.678 -4.593 1.00 0.00 H new ATOM 0 HB3 GLU A 129 1.083 20.056 -2.917 1.00 0.00 H new ATOM 0 HG2 GLU A 129 3.236 19.097 -3.007 1.00 0.00 H new ATOM 0 HG3 GLU A 129 2.866 18.157 -4.438 1.00 0.00 H new ATOM 1933 N GLY A 130 -1.771 17.261 -3.633 1.00 0.00 N ATOM 1934 CA GLY A 130 -3.217 17.388 -3.607 1.00 0.00 C ATOM 1935 C GLY A 130 -3.930 16.048 -3.660 1.00 0.00 C ATOM 1936 O GLY A 130 -5.020 15.899 -3.104 1.00 0.00 O ATOM 0 H GLY A 130 -1.423 16.382 -4.017 1.00 0.00 H new ATOM 0 HA2 GLY A 130 -3.514 17.916 -2.701 1.00 0.00 H new ATOM 0 HA3 GLY A 130 -3.538 17.998 -4.451 1.00 0.00 H new ATOM 1940 N VAL A 131 -3.321 15.071 -4.329 1.00 0.00 N ATOM 1941 CA VAL A 131 -3.916 13.743 -4.453 1.00 0.00 C ATOM 1942 C VAL A 131 -3.063 12.690 -3.748 1.00 0.00 C ATOM 1943 O VAL A 131 -1.866 12.888 -3.535 1.00 0.00 O ATOM 1944 CB VAL A 131 -4.098 13.334 -5.930 1.00 0.00 C ATOM 1945 CG1 VAL A 131 -5.240 12.340 -6.072 1.00 0.00 C ATOM 1946 CG2 VAL A 131 -4.337 14.551 -6.813 1.00 0.00 C ATOM 0 H VAL A 131 -2.418 15.174 -4.792 1.00 0.00 H new ATOM 0 HA VAL A 131 -4.896 13.795 -3.978 1.00 0.00 H new ATOM 0 HB VAL A 131 -3.176 12.855 -6.261 1.00 0.00 H new ATOM 0 HG11 VAL A 131 -5.353 12.063 -7.120 1.00 0.00 H new ATOM 0 HG12 VAL A 131 -5.022 11.449 -5.483 1.00 0.00 H new ATOM 0 HG13 VAL A 131 -6.164 12.794 -5.715 1.00 0.00 H new ATOM 0 HG21 VAL A 131 -4.461 14.231 -7.848 1.00 0.00 H new ATOM 0 HG22 VAL A 131 -5.237 15.069 -6.483 1.00 0.00 H new ATOM 0 HG23 VAL A 131 -3.484 15.225 -6.742 1.00 0.00 H new ATOM 1956 N VAL A 132 -3.692 11.576 -3.381 1.00 0.00 N ATOM 1957 CA VAL A 132 -2.998 10.496 -2.689 1.00 0.00 C ATOM 1958 C VAL A 132 -2.967 9.223 -3.533 1.00 0.00 C ATOM 1959 O VAL A 132 -4.009 8.655 -3.850 1.00 0.00 O ATOM 1960 CB VAL A 132 -3.673 10.186 -1.336 1.00 0.00 C ATOM 1961 CG1 VAL A 132 -3.790 11.444 -0.493 1.00 0.00 C ATOM 1962 CG2 VAL A 132 -5.046 9.558 -1.541 1.00 0.00 C ATOM 0 H VAL A 132 -4.682 11.399 -3.552 1.00 0.00 H new ATOM 0 HA VAL A 132 -1.976 10.832 -2.517 1.00 0.00 H new ATOM 0 HB VAL A 132 -3.045 9.470 -0.806 1.00 0.00 H new ATOM 0 HG11 VAL A 132 -4.269 11.203 0.456 1.00 0.00 H new ATOM 0 HG12 VAL A 132 -2.796 11.850 -0.305 1.00 0.00 H new ATOM 0 HG13 VAL A 132 -4.390 12.183 -1.024 1.00 0.00 H new ATOM 0 HG21 VAL A 132 -5.499 9.350 -0.572 1.00 0.00 H new ATOM 0 HG22 VAL A 132 -5.681 10.246 -2.098 1.00 0.00 H new ATOM 0 HG23 VAL A 132 -4.941 8.628 -2.100 1.00 0.00 H new ATOM 1972 N GLY A 133 -1.767 8.773 -3.880 1.00 0.00 N ATOM 1973 CA GLY A 133 -1.628 7.564 -4.673 1.00 0.00 C ATOM 1974 C GLY A 133 -1.373 6.343 -3.810 1.00 0.00 C ATOM 1975 O GLY A 133 -0.407 6.308 -3.047 1.00 0.00 O ATOM 0 H GLY A 133 -0.887 9.223 -3.627 1.00 0.00 H new ATOM 0 HA2 GLY A 133 -2.533 7.410 -5.260 1.00 0.00 H new ATOM 0 HA3 GLY A 133 -0.807 7.686 -5.379 1.00 0.00 H new ATOM 1979 N PHE A 134 -2.244 5.343 -3.919 1.00 0.00 N ATOM 1980 CA PHE A 134 -2.106 4.125 -3.128 1.00 0.00 C ATOM 1981 C PHE A 134 -2.080 2.879 -4.013 1.00 0.00 C ATOM 1982 O PHE A 134 -2.836 2.771 -4.975 1.00 0.00 O ATOM 1983 CB PHE A 134 -3.255 4.018 -2.122 1.00 0.00 C ATOM 1984 CG PHE A 134 -3.409 5.226 -1.237 1.00 0.00 C ATOM 1985 CD1 PHE A 134 -2.300 5.933 -0.799 1.00 0.00 C ATOM 1986 CD2 PHE A 134 -4.667 5.649 -0.836 1.00 0.00 C ATOM 1987 CE1 PHE A 134 -2.442 7.038 0.019 1.00 0.00 C ATOM 1988 CE2 PHE A 134 -4.815 6.752 -0.019 1.00 0.00 C ATOM 1989 CZ PHE A 134 -3.702 7.447 0.410 1.00 0.00 C ATOM 0 H PHE A 134 -3.049 5.352 -4.545 1.00 0.00 H new ATOM 0 HA PHE A 134 -1.156 4.183 -2.596 1.00 0.00 H new ATOM 0 HB2 PHE A 134 -4.186 3.857 -2.665 1.00 0.00 H new ATOM 0 HB3 PHE A 134 -3.096 3.140 -1.496 1.00 0.00 H new ATOM 0 HD1 PHE A 134 -1.313 5.616 -1.101 1.00 0.00 H new ATOM 0 HD2 PHE A 134 -5.542 5.109 -1.167 1.00 0.00 H new ATOM 0 HE1 PHE A 134 -1.569 7.581 0.352 1.00 0.00 H new ATOM 0 HE2 PHE A 134 -5.801 7.071 0.284 1.00 0.00 H new ATOM 0 HZ PHE A 134 -3.816 8.309 1.050 1.00 0.00 H new ATOM 1999 N ALA A 135 -1.212 1.933 -3.668 1.00 0.00 N ATOM 2000 CA ALA A 135 -1.092 0.686 -4.414 1.00 0.00 C ATOM 2001 C ALA A 135 -2.056 -0.358 -3.861 1.00 0.00 C ATOM 2002 O ALA A 135 -1.927 -0.782 -2.714 1.00 0.00 O ATOM 2003 CB ALA A 135 0.337 0.172 -4.350 1.00 0.00 C ATOM 0 H ALA A 135 -0.578 2.008 -2.872 1.00 0.00 H new ATOM 0 HA ALA A 135 -1.349 0.877 -5.456 1.00 0.00 H new ATOM 0 HB1 ALA A 135 0.414 -0.760 -4.911 1.00 0.00 H new ATOM 0 HB2 ALA A 135 1.010 0.913 -4.783 1.00 0.00 H new ATOM 0 HB3 ALA A 135 0.613 -0.006 -3.311 1.00 0.00 H new ATOM 2009 N ASP A 136 -3.028 -0.760 -4.673 1.00 0.00 N ATOM 2010 CA ASP A 136 -4.021 -1.743 -4.246 1.00 0.00 C ATOM 2011 C ASP A 136 -3.411 -3.133 -4.068 1.00 0.00 C ATOM 2012 O ASP A 136 -2.584 -3.569 -4.868 1.00 0.00 O ATOM 2013 CB ASP A 136 -5.169 -1.806 -5.254 1.00 0.00 C ATOM 2014 CG ASP A 136 -4.684 -2.039 -6.670 1.00 0.00 C ATOM 2015 OD1 ASP A 136 -3.924 -3.006 -6.887 1.00 0.00 O ATOM 2016 OD2 ASP A 136 -5.065 -1.254 -7.565 1.00 0.00 O ATOM 0 H ASP A 136 -3.151 -0.422 -5.628 1.00 0.00 H new ATOM 0 HA ASP A 136 -4.402 -1.421 -3.277 1.00 0.00 H new ATOM 0 HB2 ASP A 136 -5.853 -2.606 -4.971 1.00 0.00 H new ATOM 0 HB3 ASP A 136 -5.734 -0.875 -5.215 1.00 0.00 H new ATOM 2021 N VAL A 137 -3.846 -3.829 -3.017 1.00 0.00 N ATOM 2022 CA VAL A 137 -3.370 -5.180 -2.731 1.00 0.00 C ATOM 2023 C VAL A 137 -4.264 -6.221 -3.416 1.00 0.00 C ATOM 2024 O VAL A 137 -4.138 -7.421 -3.179 1.00 0.00 O ATOM 2025 CB VAL A 137 -3.333 -5.449 -1.205 1.00 0.00 C ATOM 2026 CG1 VAL A 137 -2.965 -6.896 -0.901 1.00 0.00 C ATOM 2027 CG2 VAL A 137 -2.359 -4.502 -0.519 1.00 0.00 C ATOM 0 H VAL A 137 -4.530 -3.476 -2.348 1.00 0.00 H new ATOM 0 HA VAL A 137 -2.356 -5.263 -3.123 1.00 0.00 H new ATOM 0 HB VAL A 137 -4.335 -5.269 -0.815 1.00 0.00 H new ATOM 0 HG11 VAL A 137 -2.949 -7.048 0.178 1.00 0.00 H new ATOM 0 HG12 VAL A 137 -3.703 -7.561 -1.350 1.00 0.00 H new ATOM 0 HG13 VAL A 137 -1.980 -7.115 -1.313 1.00 0.00 H new ATOM 0 HG21 VAL A 137 -2.347 -4.706 0.552 1.00 0.00 H new ATOM 0 HG22 VAL A 137 -1.359 -4.649 -0.928 1.00 0.00 H new ATOM 0 HG23 VAL A 137 -2.673 -3.472 -0.689 1.00 0.00 H new ATOM 2037 N ARG A 138 -5.165 -5.749 -4.274 1.00 0.00 N ATOM 2038 CA ARG A 138 -6.076 -6.631 -4.994 1.00 0.00 C ATOM 2039 C ARG A 138 -5.341 -7.463 -6.046 1.00 0.00 C ATOM 2040 O ARG A 138 -5.933 -8.344 -6.670 1.00 0.00 O ATOM 2041 CB ARG A 138 -7.183 -5.811 -5.660 1.00 0.00 C ATOM 2042 CG ARG A 138 -7.784 -4.744 -4.754 1.00 0.00 C ATOM 2043 CD ARG A 138 -9.274 -4.965 -4.535 1.00 0.00 C ATOM 2044 NE ARG A 138 -10.086 -4.003 -5.281 1.00 0.00 N ATOM 2045 CZ ARG A 138 -10.542 -4.209 -6.515 1.00 0.00 C ATOM 2046 NH1 ARG A 138 -10.270 -5.340 -7.158 1.00 0.00 N ATOM 2047 NH2 ARG A 138 -11.274 -3.279 -7.113 1.00 0.00 N ATOM 0 H ARG A 138 -5.283 -4.758 -4.487 1.00 0.00 H new ATOM 0 HA ARG A 138 -6.515 -7.317 -4.270 1.00 0.00 H new ATOM 0 HB2 ARG A 138 -6.781 -5.332 -6.553 1.00 0.00 H new ATOM 0 HB3 ARG A 138 -7.975 -6.485 -5.988 1.00 0.00 H new ATOM 0 HG2 ARG A 138 -7.270 -4.751 -3.793 1.00 0.00 H new ATOM 0 HG3 ARG A 138 -7.623 -3.760 -5.194 1.00 0.00 H new ATOM 0 HD2 ARG A 138 -9.539 -5.977 -4.840 1.00 0.00 H new ATOM 0 HD3 ARG A 138 -9.500 -4.883 -3.472 1.00 0.00 H new ATOM 0 HE ARG A 138 -10.317 -3.119 -4.827 1.00 0.00 H new ATOM 0 HH11 ARG A 138 -9.707 -6.061 -6.706 1.00 0.00 H new ATOM 0 HH12 ARG A 138 -10.624 -5.487 -8.103 1.00 0.00 H new ATOM 0 HH21 ARG A 138 -11.487 -2.407 -6.628 1.00 0.00 H new ATOM 0 HH22 ARG A 138 -11.624 -3.435 -8.058 1.00 0.00 H new ATOM 2061 N ASP A 139 -4.055 -7.181 -6.249 1.00 0.00 N ATOM 2062 CA ASP A 139 -3.263 -7.908 -7.235 1.00 0.00 C ATOM 2063 C ASP A 139 -2.454 -9.034 -6.593 1.00 0.00 C ATOM 2064 O ASP A 139 -1.579 -9.617 -7.232 1.00 0.00 O ATOM 2065 CB ASP A 139 -2.323 -6.950 -7.968 1.00 0.00 C ATOM 2066 CG ASP A 139 -1.370 -6.241 -7.025 1.00 0.00 C ATOM 2067 OD1 ASP A 139 -0.318 -6.828 -6.694 1.00 0.00 O ATOM 2068 OD2 ASP A 139 -1.676 -5.101 -6.619 1.00 0.00 O ATOM 0 H ASP A 139 -3.543 -6.457 -5.745 1.00 0.00 H new ATOM 0 HA ASP A 139 -3.957 -8.356 -7.947 1.00 0.00 H new ATOM 0 HB2 ASP A 139 -1.749 -7.505 -8.710 1.00 0.00 H new ATOM 0 HB3 ASP A 139 -2.912 -6.210 -8.509 1.00 0.00 H new ATOM 2073 N LEU A 140 -2.746 -9.340 -5.330 1.00 0.00 N ATOM 2074 CA LEU A 140 -2.035 -10.398 -4.624 1.00 0.00 C ATOM 2075 C LEU A 140 -2.630 -10.612 -3.240 1.00 0.00 C ATOM 2076 O LEU A 140 -1.917 -10.658 -2.240 1.00 0.00 O ATOM 2077 CB LEU A 140 -0.532 -10.078 -4.530 1.00 0.00 C ATOM 2078 CG LEU A 140 -0.137 -8.803 -3.758 1.00 0.00 C ATOM 2079 CD1 LEU A 140 -1.236 -7.754 -3.797 1.00 0.00 C ATOM 2080 CD2 LEU A 140 0.218 -9.138 -2.320 1.00 0.00 C ATOM 0 H LEU A 140 -3.466 -8.872 -4.779 1.00 0.00 H new ATOM 0 HA LEU A 140 -2.148 -11.322 -5.190 1.00 0.00 H new ATOM 0 HB2 LEU A 140 -0.033 -10.926 -4.061 1.00 0.00 H new ATOM 0 HB3 LEU A 140 -0.138 -9.997 -5.543 1.00 0.00 H new ATOM 0 HG LEU A 140 0.739 -8.383 -4.252 1.00 0.00 H new ATOM 0 HD11 LEU A 140 -0.917 -6.872 -3.241 1.00 0.00 H new ATOM 0 HD12 LEU A 140 -1.438 -7.477 -4.832 1.00 0.00 H new ATOM 0 HD13 LEU A 140 -2.142 -8.159 -3.346 1.00 0.00 H new ATOM 0 HD21 LEU A 140 0.494 -8.226 -1.791 1.00 0.00 H new ATOM 0 HD22 LEU A 140 -0.642 -9.595 -1.830 1.00 0.00 H new ATOM 0 HD23 LEU A 140 1.057 -9.834 -2.305 1.00 0.00 H new ATOM 2092 N LEU A 141 -3.951 -10.740 -3.195 1.00 0.00 N ATOM 2093 CA LEU A 141 -4.663 -10.942 -1.940 1.00 0.00 C ATOM 2094 C LEU A 141 -4.350 -12.301 -1.317 1.00 0.00 C ATOM 2095 O LEU A 141 -4.648 -12.534 -0.146 1.00 0.00 O ATOM 2096 CB LEU A 141 -6.167 -10.802 -2.161 1.00 0.00 C ATOM 2097 CG LEU A 141 -6.835 -9.742 -1.288 1.00 0.00 C ATOM 2098 CD1 LEU A 141 -6.383 -9.881 0.153 1.00 0.00 C ATOM 2099 CD2 LEU A 141 -6.532 -8.346 -1.814 1.00 0.00 C ATOM 0 H LEU A 141 -4.553 -10.707 -4.018 1.00 0.00 H new ATOM 0 HA LEU A 141 -4.324 -10.175 -1.244 1.00 0.00 H new ATOM 0 HB2 LEU A 141 -6.347 -10.560 -3.208 1.00 0.00 H new ATOM 0 HB3 LEU A 141 -6.641 -11.765 -1.970 1.00 0.00 H new ATOM 0 HG LEU A 141 -7.914 -9.894 -1.326 1.00 0.00 H new ATOM 0 HD11 LEU A 141 -6.868 -9.118 0.762 1.00 0.00 H new ATOM 0 HD12 LEU A 141 -6.654 -10.869 0.526 1.00 0.00 H new ATOM 0 HD13 LEU A 141 -5.302 -9.756 0.209 1.00 0.00 H new ATOM 0 HD21 LEU A 141 -7.017 -7.605 -1.179 1.00 0.00 H new ATOM 0 HD22 LEU A 141 -5.455 -8.181 -1.808 1.00 0.00 H new ATOM 0 HD23 LEU A 141 -6.907 -8.252 -2.833 1.00 0.00 H new ATOM 2111 N TRP A 142 -3.759 -13.198 -2.099 1.00 0.00 N ATOM 2112 CA TRP A 142 -3.422 -14.532 -1.609 1.00 0.00 C ATOM 2113 C TRP A 142 -2.504 -14.465 -0.387 1.00 0.00 C ATOM 2114 O TRP A 142 -1.290 -14.637 -0.495 1.00 0.00 O ATOM 2115 CB TRP A 142 -2.771 -15.369 -2.717 1.00 0.00 C ATOM 2116 CG TRP A 142 -1.600 -14.704 -3.380 1.00 0.00 C ATOM 2117 CD1 TRP A 142 -1.635 -13.665 -4.267 1.00 0.00 C ATOM 2118 CD2 TRP A 142 -0.219 -15.046 -3.219 1.00 0.00 C ATOM 2119 NE1 TRP A 142 -0.360 -13.334 -4.656 1.00 0.00 N ATOM 2120 CE2 TRP A 142 0.526 -14.168 -4.027 1.00 0.00 C ATOM 2121 CE3 TRP A 142 0.461 -16.006 -2.466 1.00 0.00 C ATOM 2122 CZ2 TRP A 142 1.914 -14.221 -4.101 1.00 0.00 C ATOM 2123 CZ3 TRP A 142 1.841 -16.059 -2.541 1.00 0.00 C ATOM 2124 CH2 TRP A 142 2.554 -15.171 -3.353 1.00 0.00 C ATOM 0 H TRP A 142 -3.504 -13.028 -3.072 1.00 0.00 H new ATOM 0 HA TRP A 142 -4.351 -15.014 -1.306 1.00 0.00 H new ATOM 0 HB2 TRP A 142 -2.444 -16.319 -2.295 1.00 0.00 H new ATOM 0 HB3 TRP A 142 -3.522 -15.597 -3.474 1.00 0.00 H new ATOM 0 HD1 TRP A 142 -2.534 -13.176 -4.612 1.00 0.00 H new ATOM 0 HE1 TRP A 142 -0.113 -12.589 -5.307 1.00 0.00 H new ATOM 0 HE3 TRP A 142 -0.082 -16.695 -1.836 1.00 0.00 H new ATOM 0 HZ2 TRP A 142 2.467 -13.536 -4.727 1.00 0.00 H new ATOM 0 HZ3 TRP A 142 2.377 -16.798 -1.963 1.00 0.00 H new ATOM 0 HH2 TRP A 142 3.631 -15.237 -3.390 1.00 0.00 H new ATOM 2135 N LEU A 143 -3.105 -14.227 0.779 1.00 0.00 N ATOM 2136 CA LEU A 143 -2.365 -14.149 2.036 1.00 0.00 C ATOM 2137 C LEU A 143 -3.176 -14.781 3.164 1.00 0.00 C ATOM 2138 O LEU A 143 -2.660 -15.584 3.941 1.00 0.00 O ATOM 2139 CB LEU A 143 -2.037 -12.693 2.396 1.00 0.00 C ATOM 2140 CG LEU A 143 -1.061 -11.978 1.454 1.00 0.00 C ATOM 2141 CD1 LEU A 143 -1.823 -11.184 0.411 1.00 0.00 C ATOM 2142 CD2 LEU A 143 -0.134 -11.061 2.238 1.00 0.00 C ATOM 0 H LEU A 143 -4.110 -14.084 0.878 1.00 0.00 H new ATOM 0 HA LEU A 143 -1.430 -14.694 1.908 1.00 0.00 H new ATOM 0 HB2 LEU A 143 -2.968 -12.126 2.423 1.00 0.00 H new ATOM 0 HB3 LEU A 143 -1.622 -12.672 3.404 1.00 0.00 H new ATOM 0 HG LEU A 143 -0.456 -12.732 0.950 1.00 0.00 H new ATOM 0 HD11 LEU A 143 -1.118 -10.682 -0.251 1.00 0.00 H new ATOM 0 HD12 LEU A 143 -2.451 -11.858 -0.172 1.00 0.00 H new ATOM 0 HD13 LEU A 143 -2.449 -10.441 0.905 1.00 0.00 H new ATOM 0 HD21 LEU A 143 0.551 -10.563 1.552 1.00 0.00 H new ATOM 0 HD22 LEU A 143 -0.724 -10.313 2.768 1.00 0.00 H new ATOM 0 HD23 LEU A 143 0.437 -11.649 2.957 1.00 0.00 H new ATOM 2154 N GLU A 144 -4.453 -14.414 3.242 1.00 0.00 N ATOM 2155 CA GLU A 144 -5.343 -14.943 4.268 1.00 0.00 C ATOM 2156 C GLU A 144 -6.798 -14.888 3.801 1.00 0.00 C ATOM 2157 O GLU A 144 -7.071 -14.743 2.610 1.00 0.00 O ATOM 2158 CB GLU A 144 -5.171 -14.162 5.576 1.00 0.00 C ATOM 2159 CG GLU A 144 -5.795 -12.775 5.551 1.00 0.00 C ATOM 2160 CD GLU A 144 -5.771 -12.103 6.910 1.00 0.00 C ATOM 2161 OE1 GLU A 144 -4.797 -12.319 7.664 1.00 0.00 O ATOM 2162 OE2 GLU A 144 -6.725 -11.361 7.224 1.00 0.00 O ATOM 0 H GLU A 144 -4.894 -13.751 2.605 1.00 0.00 H new ATOM 0 HA GLU A 144 -5.080 -15.986 4.447 1.00 0.00 H new ATOM 0 HB2 GLU A 144 -5.614 -14.735 6.391 1.00 0.00 H new ATOM 0 HB3 GLU A 144 -4.107 -14.068 5.794 1.00 0.00 H new ATOM 0 HG2 GLU A 144 -5.262 -12.153 4.832 1.00 0.00 H new ATOM 0 HG3 GLU A 144 -6.826 -12.850 5.204 1.00 0.00 H new ATOM 2169 N ASP A 145 -7.727 -15.005 4.746 1.00 0.00 N ATOM 2170 CA ASP A 145 -9.150 -14.966 4.426 1.00 0.00 C ATOM 2171 C ASP A 145 -9.549 -13.599 3.874 1.00 0.00 C ATOM 2172 O ASP A 145 -9.361 -12.575 4.531 1.00 0.00 O ATOM 2173 CB ASP A 145 -9.981 -15.295 5.669 1.00 0.00 C ATOM 2174 CG ASP A 145 -10.880 -16.498 5.464 1.00 0.00 C ATOM 2175 OD1 ASP A 145 -10.452 -17.448 4.773 1.00 0.00 O ATOM 2176 OD2 ASP A 145 -12.011 -16.491 5.993 1.00 0.00 O ATOM 0 H ASP A 145 -7.520 -15.127 5.737 1.00 0.00 H new ATOM 0 HA ASP A 145 -9.346 -15.715 3.659 1.00 0.00 H new ATOM 0 HB2 ASP A 145 -9.313 -15.484 6.509 1.00 0.00 H new ATOM 0 HB3 ASP A 145 -10.590 -14.431 5.934 1.00 0.00 H new ATOM 2181 N ASP A 146 -10.100 -13.593 2.664 1.00 0.00 N ATOM 2182 CA ASP A 146 -10.527 -12.354 2.022 1.00 0.00 C ATOM 2183 C ASP A 146 -11.938 -11.971 2.460 1.00 0.00 C ATOM 2184 O ASP A 146 -12.733 -12.828 2.844 1.00 0.00 O ATOM 2185 CB ASP A 146 -10.477 -12.504 0.500 1.00 0.00 C ATOM 2186 CG ASP A 146 -9.057 -12.563 -0.028 1.00 0.00 C ATOM 2187 OD1 ASP A 146 -8.154 -12.009 0.633 1.00 0.00 O ATOM 2188 OD2 ASP A 146 -8.849 -13.162 -1.104 1.00 0.00 O ATOM 0 H ASP A 146 -10.261 -14.433 2.108 1.00 0.00 H new ATOM 0 HA ASP A 146 -9.844 -11.561 2.327 1.00 0.00 H new ATOM 0 HB2 ASP A 146 -11.008 -13.410 0.209 1.00 0.00 H new ATOM 0 HB3 ASP A 146 -10.999 -11.666 0.038 1.00 0.00 H new ATOM 2193 N ALA A 147 -12.244 -10.677 2.401 1.00 0.00 N ATOM 2194 CA ALA A 147 -13.561 -10.187 2.794 1.00 0.00 C ATOM 2195 C ALA A 147 -14.575 -10.381 1.672 1.00 0.00 C ATOM 2196 O ALA A 147 -14.410 -9.851 0.573 1.00 0.00 O ATOM 2197 CB ALA A 147 -13.482 -8.721 3.189 1.00 0.00 C ATOM 0 H ALA A 147 -11.600 -9.952 2.086 1.00 0.00 H new ATOM 0 HA ALA A 147 -13.895 -10.766 3.655 1.00 0.00 H new ATOM 0 HB1 ALA A 147 -14.472 -8.369 3.480 1.00 0.00 H new ATOM 0 HB2 ALA A 147 -12.795 -8.607 4.028 1.00 0.00 H new ATOM 0 HB3 ALA A 147 -13.122 -8.135 2.343 1.00 0.00 H new