USER MOD reduce.3.24.130724 H: found=0, std=0, add=847, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 844 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 126 HIS : no HD1:sc= -6.68! C(o=-8.1!,f=-4.3!) USER MOD Set 1.2: A 130 ASN : amide:sc= -1.39 K(o=-8.1,f=-4.3) USER MOD Set 2.1: A 70 SER OG : rot 12:sc= 1.66 USER MOD Set 2.2: A 81 THR OG1 : rot -85:sc= 1.16 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 ASN : amide:sc= -0.0914 K(o=-0.091,f=-0.86) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot 180:sc= -1.24 USER MOD Single : A 26 THR OG1 : rot -114:sc= 1.01 USER MOD Single : A 27 SER OG : rot -30:sc= 0.84 USER MOD Single : A 35 MET CE :methyl 136:sc= -5.99! (180deg=-8.7!) USER MOD Single : A 37 ASN : amide:sc= 0.909 K(o=0.91,f=-12!) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 HIS : no HD1:sc= 0.231 K(o=0.23,f=-0.87) USER MOD Single : A 46 HIS : no HD1:sc= -0.177 K(o=-0.18,f=-0.79) USER MOD Single : A 48 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 SER OG : rot -76:sc= 1.56 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 58 CYS SG : rot 53:sc= -1.08 USER MOD Single : A 59 GLN : amide:sc= -0.0296 X(o=-0.03,f=0) USER MOD Single : A 61 THR OG1 : rot 180:sc= -0.167 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 THR OG1 : rot -84:sc= 0.911 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 83 HIS : no HD1:sc= -1.52 K(o=-1.5,f=-0.81) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 91 THR OG1 : rot 110:sc= 0.96 USER MOD Single : A 94 THR OG1 : rot 180:sc= -0.638 USER MOD Single : A 97 HIS : no HD1:sc= -2.85! K(o=-2.8!,f=-1.2) USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 121 MET CE :methyl -141:sc= 0 (180deg=-1.15) USER MOD Single : A 135 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 101 N ILE A 7 -2.199 8.639 -6.972 1.00 0.00 N ATOM 102 CA ILE A 7 -2.529 8.607 -5.557 1.00 0.00 C ATOM 103 C ILE A 7 -1.253 8.371 -4.746 1.00 0.00 C ATOM 104 O ILE A 7 -1.136 7.369 -4.043 1.00 0.00 O ATOM 105 CB ILE A 7 -3.628 7.577 -5.287 1.00 0.00 C ATOM 106 CG1 ILE A 7 -4.961 8.028 -5.887 1.00 0.00 C ATOM 107 CG2 ILE A 7 -3.744 7.279 -3.791 1.00 0.00 C ATOM 108 CD1 ILE A 7 -5.969 6.877 -5.909 1.00 0.00 C ATOM 0 HA ILE A 7 -2.937 9.566 -5.239 1.00 0.00 H new ATOM 0 HB ILE A 7 -3.352 6.645 -5.780 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -5.363 8.858 -5.306 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -4.802 8.396 -6.900 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -4.532 6.544 -3.626 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -2.797 6.884 -3.424 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -3.986 8.197 -3.255 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -6.908 7.224 -6.340 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -5.574 6.059 -6.511 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -6.144 6.527 -4.892 1.00 0.00 H new ATOM 120 N LYS A 8 -0.329 9.313 -4.871 1.00 0.00 N ATOM 121 CA LYS A 8 0.934 9.221 -4.158 1.00 0.00 C ATOM 122 C LYS A 8 0.780 9.852 -2.773 1.00 0.00 C ATOM 123 O LYS A 8 0.335 10.992 -2.652 1.00 0.00 O ATOM 124 CB LYS A 8 2.064 9.831 -4.990 1.00 0.00 C ATOM 125 CG LYS A 8 3.334 9.996 -4.152 1.00 0.00 C ATOM 126 CD LYS A 8 4.470 10.588 -4.988 1.00 0.00 C ATOM 127 CE LYS A 8 5.004 11.874 -4.355 1.00 0.00 C ATOM 128 NZ LYS A 8 6.433 12.064 -4.693 1.00 0.00 N ATOM 0 H LYS A 8 -0.430 10.143 -5.455 1.00 0.00 H new ATOM 0 HA LYS A 8 1.210 8.178 -4.004 1.00 0.00 H new ATOM 0 HB2 LYS A 8 2.272 9.194 -5.850 1.00 0.00 H new ATOM 0 HB3 LYS A 8 1.752 10.800 -5.379 1.00 0.00 H new ATOM 0 HG2 LYS A 8 3.130 10.644 -3.299 1.00 0.00 H new ATOM 0 HG3 LYS A 8 3.638 9.029 -3.752 1.00 0.00 H new ATOM 0 HD2 LYS A 8 5.277 9.861 -5.078 1.00 0.00 H new ATOM 0 HD3 LYS A 8 4.114 10.796 -5.997 1.00 0.00 H new ATOM 0 HE2 LYS A 8 4.424 12.727 -4.707 1.00 0.00 H new ATOM 0 HE3 LYS A 8 4.883 11.831 -3.273 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 6.780 12.941 -4.255 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 6.984 11.258 -4.336 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 6.540 12.126 -5.726 1.00 0.00 H new ATOM 142 N LYS A 9 1.157 9.082 -1.762 1.00 0.00 N ATOM 143 CA LYS A 9 1.066 9.552 -0.390 1.00 0.00 C ATOM 144 C LYS A 9 2.351 9.185 0.356 1.00 0.00 C ATOM 145 O LYS A 9 3.027 8.222 -0.002 1.00 0.00 O ATOM 146 CB LYS A 9 -0.204 9.019 0.276 1.00 0.00 C ATOM 147 CG LYS A 9 -1.455 9.524 -0.448 1.00 0.00 C ATOM 148 CD LYS A 9 -1.817 10.940 0.006 1.00 0.00 C ATOM 149 CE LYS A 9 -3.249 11.296 -0.398 1.00 0.00 C ATOM 150 NZ LYS A 9 -3.573 12.681 0.011 1.00 0.00 N ATOM 0 H LYS A 9 1.526 8.137 -1.866 1.00 0.00 H new ATOM 0 HA LYS A 9 0.980 10.638 -0.364 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -0.192 7.929 0.271 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -0.231 9.333 1.319 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -1.285 9.516 -1.525 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -2.290 8.851 -0.252 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -1.711 11.017 1.088 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -1.123 11.656 -0.434 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -3.365 11.192 -1.477 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -3.948 10.600 0.066 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -4.548 12.907 -0.271 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -3.481 12.769 1.043 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -2.917 13.342 -0.452 1.00 0.00 H new ATOM 164 N GLU A 10 2.649 9.973 1.379 1.00 0.00 N ATOM 165 CA GLU A 10 3.840 9.743 2.178 1.00 0.00 C ATOM 166 C GLU A 10 3.567 10.077 3.646 1.00 0.00 C ATOM 167 O GLU A 10 3.011 11.131 3.953 1.00 0.00 O ATOM 168 CB GLU A 10 5.024 10.551 1.643 1.00 0.00 C ATOM 169 CG GLU A 10 6.277 10.314 2.488 1.00 0.00 C ATOM 170 CD GLU A 10 6.327 11.278 3.676 1.00 0.00 C ATOM 171 OE1 GLU A 10 6.725 12.441 3.446 1.00 0.00 O ATOM 172 OE2 GLU A 10 5.967 10.830 4.786 1.00 0.00 O ATOM 0 H GLU A 10 2.086 10.771 1.673 1.00 0.00 H new ATOM 0 HA GLU A 10 4.102 8.687 2.108 1.00 0.00 H new ATOM 0 HB2 GLU A 10 5.221 10.272 0.608 1.00 0.00 H new ATOM 0 HB3 GLU A 10 4.775 11.612 1.645 1.00 0.00 H new ATOM 0 HG2 GLU A 10 6.288 9.286 2.849 1.00 0.00 H new ATOM 0 HG3 GLU A 10 7.166 10.445 1.871 1.00 0.00 H new ATOM 179 N VAL A 11 3.971 9.161 4.514 1.00 0.00 N ATOM 180 CA VAL A 11 3.777 9.345 5.942 1.00 0.00 C ATOM 181 C VAL A 11 5.089 9.054 6.672 1.00 0.00 C ATOM 182 O VAL A 11 5.968 8.383 6.133 1.00 0.00 O ATOM 183 CB VAL A 11 2.616 8.476 6.429 1.00 0.00 C ATOM 184 CG1 VAL A 11 1.276 9.183 6.217 1.00 0.00 C ATOM 185 CG2 VAL A 11 2.630 7.109 5.742 1.00 0.00 C ATOM 0 H VAL A 11 4.432 8.289 4.255 1.00 0.00 H new ATOM 0 HA VAL A 11 3.506 10.378 6.161 1.00 0.00 H new ATOM 0 HB VAL A 11 2.743 8.314 7.499 1.00 0.00 H new ATOM 0 HG11 VAL A 11 0.467 8.544 6.571 1.00 0.00 H new ATOM 0 HG12 VAL A 11 1.268 10.121 6.773 1.00 0.00 H new ATOM 0 HG13 VAL A 11 1.137 9.389 5.156 1.00 0.00 H new ATOM 0 HG21 VAL A 11 1.795 6.510 6.106 1.00 0.00 H new ATOM 0 HG22 VAL A 11 2.539 7.243 4.664 1.00 0.00 H new ATOM 0 HG23 VAL A 11 3.567 6.599 5.966 1.00 0.00 H new ATOM 195 N ARG A 12 5.181 9.574 7.888 1.00 0.00 N ATOM 196 CA ARG A 12 6.371 9.378 8.698 1.00 0.00 C ATOM 197 C ARG A 12 5.995 8.797 10.062 1.00 0.00 C ATOM 198 O ARG A 12 5.211 9.393 10.799 1.00 0.00 O ATOM 199 CB ARG A 12 7.122 10.695 8.901 1.00 0.00 C ATOM 200 CG ARG A 12 8.403 10.477 9.709 1.00 0.00 C ATOM 201 CD ARG A 12 8.840 11.770 10.402 1.00 0.00 C ATOM 202 NE ARG A 12 9.213 11.490 11.807 1.00 0.00 N ATOM 203 CZ ARG A 12 9.433 12.437 12.728 1.00 0.00 C ATOM 204 NH1 ARG A 12 9.320 13.731 12.399 1.00 0.00 N ATOM 205 NH2 ARG A 12 9.766 12.090 13.979 1.00 0.00 N ATOM 0 H ARG A 12 4.450 10.131 8.331 1.00 0.00 H new ATOM 0 HA ARG A 12 7.021 8.681 8.169 1.00 0.00 H new ATOM 0 HB2 ARG A 12 7.368 11.130 7.933 1.00 0.00 H new ATOM 0 HB3 ARG A 12 6.479 11.408 9.417 1.00 0.00 H new ATOM 0 HG2 ARG A 12 8.239 9.698 10.454 1.00 0.00 H new ATOM 0 HG3 ARG A 12 9.198 10.126 9.050 1.00 0.00 H new ATOM 0 HD2 ARG A 12 9.686 12.208 9.873 1.00 0.00 H new ATOM 0 HD3 ARG A 12 8.032 12.501 10.370 1.00 0.00 H new ATOM 0 HE ARG A 12 9.308 10.515 12.091 1.00 0.00 H new ATOM 0 HH11 ARG A 12 9.066 13.995 11.447 1.00 0.00 H new ATOM 0 HH12 ARG A 12 9.488 14.452 13.101 1.00 0.00 H new ATOM 0 HH21 ARG A 12 9.852 11.105 14.229 1.00 0.00 H new ATOM 0 HH22 ARG A 12 9.934 12.811 14.681 1.00 0.00 H new ATOM 219 N PHE A 13 6.573 7.642 10.358 1.00 0.00 N ATOM 220 CA PHE A 13 6.308 6.975 11.621 1.00 0.00 C ATOM 221 C PHE A 13 7.603 6.744 12.401 1.00 0.00 C ATOM 222 O PHE A 13 8.665 6.558 11.808 1.00 0.00 O ATOM 223 CB PHE A 13 5.679 5.620 11.288 1.00 0.00 C ATOM 224 CG PHE A 13 4.427 5.714 10.413 1.00 0.00 C ATOM 225 CD1 PHE A 13 3.549 6.737 10.589 1.00 0.00 C ATOM 226 CD2 PHE A 13 4.194 4.774 9.458 1.00 0.00 C ATOM 227 CE1 PHE A 13 2.387 6.823 9.777 1.00 0.00 C ATOM 228 CE2 PHE A 13 3.032 4.860 8.646 1.00 0.00 C ATOM 229 CZ PHE A 13 2.154 5.883 8.822 1.00 0.00 C ATOM 0 H PHE A 13 7.224 7.151 9.745 1.00 0.00 H new ATOM 0 HA PHE A 13 5.650 7.589 12.235 1.00 0.00 H new ATOM 0 HB2 PHE A 13 6.419 5.002 10.780 1.00 0.00 H new ATOM 0 HB3 PHE A 13 5.423 5.111 12.217 1.00 0.00 H new ATOM 0 HD1 PHE A 13 3.735 7.484 11.346 1.00 0.00 H new ATOM 0 HD2 PHE A 13 4.892 3.962 9.317 1.00 0.00 H new ATOM 0 HE1 PHE A 13 1.689 7.635 9.918 1.00 0.00 H new ATOM 0 HE2 PHE A 13 2.846 4.113 7.889 1.00 0.00 H new ATOM 0 HZ PHE A 13 1.271 5.949 8.203 1.00 0.00 H new ATOM 239 N ASN A 14 7.474 6.764 13.720 1.00 0.00 N ATOM 240 CA ASN A 14 8.622 6.559 14.588 1.00 0.00 C ATOM 241 C ASN A 14 8.840 5.058 14.792 1.00 0.00 C ATOM 242 O ASN A 14 8.108 4.418 15.544 1.00 0.00 O ATOM 243 CB ASN A 14 8.394 7.195 15.961 1.00 0.00 C ATOM 244 CG ASN A 14 9.481 8.225 16.274 1.00 0.00 C ATOM 245 OD1 ASN A 14 9.969 8.934 15.409 1.00 0.00 O ATOM 246 ND2 ASN A 14 9.830 8.270 17.556 1.00 0.00 N ATOM 0 H ASN A 14 6.592 6.919 14.209 1.00 0.00 H new ATOM 0 HA ASN A 14 9.489 7.021 14.116 1.00 0.00 H new ATOM 0 HB2 ASN A 14 7.415 7.674 15.986 1.00 0.00 H new ATOM 0 HB3 ASN A 14 8.389 6.421 16.728 1.00 0.00 H new ATOM 0 HD21 ASN A 14 10.546 8.926 17.867 1.00 0.00 H new ATOM 0 HD22 ASN A 14 9.382 7.648 18.229 1.00 0.00 H new ATOM 253 N ALA A 15 9.850 4.541 14.108 1.00 0.00 N ATOM 254 CA ALA A 15 10.174 3.128 14.205 1.00 0.00 C ATOM 255 C ALA A 15 11.340 2.811 13.267 1.00 0.00 C ATOM 256 O ALA A 15 11.636 3.583 12.355 1.00 0.00 O ATOM 257 CB ALA A 15 8.929 2.296 13.889 1.00 0.00 C ATOM 0 H ALA A 15 10.455 5.075 13.484 1.00 0.00 H new ATOM 0 HA ALA A 15 10.487 2.875 15.218 1.00 0.00 H new ATOM 0 HB1 ALA A 15 9.172 1.236 13.962 1.00 0.00 H new ATOM 0 HB2 ALA A 15 8.140 2.537 14.601 1.00 0.00 H new ATOM 0 HB3 ALA A 15 8.587 2.522 12.879 1.00 0.00 H new ATOM 263 N PRO A 16 11.988 1.644 13.529 1.00 0.00 N ATOM 264 CA PRO A 16 13.115 1.216 12.719 1.00 0.00 C ATOM 265 C PRO A 16 12.646 0.691 11.360 1.00 0.00 C ATOM 266 O PRO A 16 11.794 -0.194 11.294 1.00 0.00 O ATOM 267 CB PRO A 16 13.820 0.159 13.553 1.00 0.00 C ATOM 268 CG PRO A 16 12.807 -0.298 14.590 1.00 0.00 C ATOM 269 CD PRO A 16 11.665 0.706 14.599 1.00 0.00 C ATOM 0 HA PRO A 16 13.795 2.033 12.479 1.00 0.00 H new ATOM 0 HB2 PRO A 16 14.146 -0.675 12.932 1.00 0.00 H new ATOM 0 HB3 PRO A 16 14.710 0.568 14.031 1.00 0.00 H new ATOM 0 HG2 PRO A 16 12.437 -1.295 14.349 1.00 0.00 H new ATOM 0 HG3 PRO A 16 13.270 -0.359 15.575 1.00 0.00 H new ATOM 0 HD2 PRO A 16 10.707 0.218 14.422 1.00 0.00 H new ATOM 0 HD3 PRO A 16 11.591 1.213 15.561 1.00 0.00 H new ATOM 277 N ILE A 17 13.223 1.258 10.311 1.00 0.00 N ATOM 278 CA ILE A 17 12.874 0.857 8.958 1.00 0.00 C ATOM 279 C ILE A 17 12.965 -0.665 8.842 1.00 0.00 C ATOM 280 O ILE A 17 12.296 -1.269 8.005 1.00 0.00 O ATOM 281 CB ILE A 17 13.737 1.604 7.939 1.00 0.00 C ATOM 282 CG1 ILE A 17 13.228 1.373 6.515 1.00 0.00 C ATOM 283 CG2 ILE A 17 15.213 1.227 8.089 1.00 0.00 C ATOM 284 CD1 ILE A 17 13.651 2.516 5.590 1.00 0.00 C ATOM 0 H ILE A 17 13.929 1.991 10.370 1.00 0.00 H new ATOM 0 HA ILE A 17 11.844 1.133 8.733 1.00 0.00 H new ATOM 0 HB ILE A 17 13.656 2.672 8.140 1.00 0.00 H new ATOM 0 HG12 ILE A 17 13.618 0.429 6.134 1.00 0.00 H new ATOM 0 HG13 ILE A 17 12.141 1.289 6.522 1.00 0.00 H new ATOM 0 HG21 ILE A 17 15.804 1.772 7.353 1.00 0.00 H new ATOM 0 HG22 ILE A 17 15.554 1.485 9.092 1.00 0.00 H new ATOM 0 HG23 ILE A 17 15.333 0.155 7.929 1.00 0.00 H new ATOM 0 HD11 ILE A 17 13.277 2.327 4.584 1.00 0.00 H new ATOM 0 HD12 ILE A 17 13.239 3.455 5.960 1.00 0.00 H new ATOM 0 HD13 ILE A 17 14.739 2.581 5.566 1.00 0.00 H new ATOM 296 N GLU A 18 13.798 -1.243 9.695 1.00 0.00 N ATOM 297 CA GLU A 18 13.985 -2.684 9.699 1.00 0.00 C ATOM 298 C GLU A 18 12.668 -3.390 10.026 1.00 0.00 C ATOM 299 O GLU A 18 12.368 -4.444 9.467 1.00 0.00 O ATOM 300 CB GLU A 18 15.085 -3.092 10.682 1.00 0.00 C ATOM 301 CG GLU A 18 15.977 -4.182 10.085 1.00 0.00 C ATOM 302 CD GLU A 18 15.648 -5.550 10.685 1.00 0.00 C ATOM 303 OE1 GLU A 18 15.494 -5.604 11.924 1.00 0.00 O ATOM 304 OE2 GLU A 18 15.558 -6.511 9.891 1.00 0.00 O ATOM 0 H GLU A 18 14.351 -0.739 10.388 1.00 0.00 H new ATOM 0 HA GLU A 18 14.302 -2.992 8.702 1.00 0.00 H new ATOM 0 HB2 GLU A 18 15.690 -2.222 10.938 1.00 0.00 H new ATOM 0 HB3 GLU A 18 14.635 -3.451 11.608 1.00 0.00 H new ATOM 0 HG2 GLU A 18 15.844 -4.214 9.004 1.00 0.00 H new ATOM 0 HG3 GLU A 18 17.024 -3.942 10.270 1.00 0.00 H new ATOM 311 N LYS A 19 11.916 -2.780 10.930 1.00 0.00 N ATOM 312 CA LYS A 19 10.637 -3.336 11.339 1.00 0.00 C ATOM 313 C LYS A 19 9.604 -3.093 10.237 1.00 0.00 C ATOM 314 O LYS A 19 8.987 -4.034 9.741 1.00 0.00 O ATOM 315 CB LYS A 19 10.223 -2.782 12.703 1.00 0.00 C ATOM 316 CG LYS A 19 9.194 -3.693 13.376 1.00 0.00 C ATOM 317 CD LYS A 19 9.105 -3.405 14.876 1.00 0.00 C ATOM 318 CE LYS A 19 7.819 -3.983 15.470 1.00 0.00 C ATOM 319 NZ LYS A 19 8.047 -5.362 15.956 1.00 0.00 N ATOM 0 H LYS A 19 12.168 -1.906 11.391 1.00 0.00 H new ATOM 0 HA LYS A 19 10.716 -4.415 11.470 1.00 0.00 H new ATOM 0 HB2 LYS A 19 11.101 -2.685 13.342 1.00 0.00 H new ATOM 0 HB3 LYS A 19 9.805 -1.783 12.582 1.00 0.00 H new ATOM 0 HG2 LYS A 19 8.217 -3.547 12.915 1.00 0.00 H new ATOM 0 HG3 LYS A 19 9.468 -4.736 13.218 1.00 0.00 H new ATOM 0 HD2 LYS A 19 9.969 -3.833 15.384 1.00 0.00 H new ATOM 0 HD3 LYS A 19 9.137 -2.329 15.046 1.00 0.00 H new ATOM 0 HE2 LYS A 19 7.476 -3.354 16.291 1.00 0.00 H new ATOM 0 HE3 LYS A 19 7.031 -3.982 14.717 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 7.164 -5.739 16.356 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 8.353 -5.963 15.164 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 8.784 -5.354 16.690 1.00 0.00 H new ATOM 333 N VAL A 20 9.449 -1.825 9.885 1.00 0.00 N ATOM 334 CA VAL A 20 8.501 -1.445 8.851 1.00 0.00 C ATOM 335 C VAL A 20 8.804 -2.233 7.575 1.00 0.00 C ATOM 336 O VAL A 20 7.890 -2.698 6.896 1.00 0.00 O ATOM 337 CB VAL A 20 8.535 0.070 8.641 1.00 0.00 C ATOM 338 CG1 VAL A 20 7.411 0.518 7.704 1.00 0.00 C ATOM 339 CG2 VAL A 20 8.462 0.810 9.978 1.00 0.00 C ATOM 0 H VAL A 20 9.964 -1.047 10.298 1.00 0.00 H new ATOM 0 HA VAL A 20 7.484 -1.694 9.154 1.00 0.00 H new ATOM 0 HB VAL A 20 9.485 0.323 8.170 1.00 0.00 H new ATOM 0 HG11 VAL A 20 7.457 1.599 7.571 1.00 0.00 H new ATOM 0 HG12 VAL A 20 7.526 0.028 6.737 1.00 0.00 H new ATOM 0 HG13 VAL A 20 6.448 0.246 8.136 1.00 0.00 H new ATOM 0 HG21 VAL A 20 8.488 1.885 9.801 1.00 0.00 H new ATOM 0 HG22 VAL A 20 7.535 0.549 10.488 1.00 0.00 H new ATOM 0 HG23 VAL A 20 9.311 0.524 10.599 1.00 0.00 H new ATOM 349 N TRP A 21 10.091 -2.358 7.286 1.00 0.00 N ATOM 350 CA TRP A 21 10.527 -3.080 6.103 1.00 0.00 C ATOM 351 C TRP A 21 10.030 -4.523 6.221 1.00 0.00 C ATOM 352 O TRP A 21 9.482 -5.074 5.268 1.00 0.00 O ATOM 353 CB TRP A 21 12.043 -2.983 5.928 1.00 0.00 C ATOM 354 CG TRP A 21 12.584 -3.773 4.734 1.00 0.00 C ATOM 355 CD1 TRP A 21 13.549 -4.703 4.729 1.00 0.00 C ATOM 356 CD2 TRP A 21 12.148 -3.664 3.363 1.00 0.00 C ATOM 357 NE1 TRP A 21 13.766 -5.198 3.459 1.00 0.00 N ATOM 358 CE2 TRP A 21 12.887 -4.547 2.602 1.00 0.00 C ATOM 359 CE3 TRP A 21 11.161 -2.847 2.784 1.00 0.00 C ATOM 360 CZ2 TRP A 21 12.718 -4.697 1.221 1.00 0.00 C ATOM 361 CZ3 TRP A 21 11.004 -3.008 1.402 1.00 0.00 C ATOM 362 CH2 TRP A 21 11.741 -3.893 0.622 1.00 0.00 C ATOM 0 H TRP A 21 10.847 -1.971 7.851 1.00 0.00 H new ATOM 0 HA TRP A 21 10.102 -2.637 5.202 1.00 0.00 H new ATOM 0 HB2 TRP A 21 12.319 -1.935 5.812 1.00 0.00 H new ATOM 0 HB3 TRP A 21 12.527 -3.341 6.837 1.00 0.00 H new ATOM 0 HD1 TRP A 21 14.089 -5.024 5.608 1.00 0.00 H new ATOM 0 HE1 TRP A 21 14.447 -5.911 3.197 1.00 0.00 H new ATOM 0 HE3 TRP A 21 10.570 -2.150 3.360 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 13.310 -5.396 0.648 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 10.259 -2.403 0.907 1.00 0.00 H new ATOM 0 HH2 TRP A 21 11.560 -3.960 -0.441 1.00 0.00 H new ATOM 373 N GLU A 22 10.238 -5.093 7.399 1.00 0.00 N ATOM 374 CA GLU A 22 9.818 -6.460 7.654 1.00 0.00 C ATOM 375 C GLU A 22 8.292 -6.546 7.701 1.00 0.00 C ATOM 376 O GLU A 22 7.719 -7.609 7.467 1.00 0.00 O ATOM 377 CB GLU A 22 10.438 -6.992 8.947 1.00 0.00 C ATOM 378 CG GLU A 22 11.291 -8.233 8.677 1.00 0.00 C ATOM 379 CD GLU A 22 11.166 -9.244 9.819 1.00 0.00 C ATOM 380 OE1 GLU A 22 11.555 -8.875 10.948 1.00 0.00 O ATOM 381 OE2 GLU A 22 10.685 -10.362 9.536 1.00 0.00 O ATOM 0 H GLU A 22 10.692 -4.632 8.188 1.00 0.00 H new ATOM 0 HA GLU A 22 10.172 -7.087 6.836 1.00 0.00 H new ATOM 0 HB2 GLU A 22 11.052 -6.217 9.405 1.00 0.00 H new ATOM 0 HB3 GLU A 22 9.649 -7.236 9.659 1.00 0.00 H new ATOM 0 HG2 GLU A 22 10.979 -8.696 7.741 1.00 0.00 H new ATOM 0 HG3 GLU A 22 12.335 -7.942 8.557 1.00 0.00 H new ATOM 388 N ALA A 23 7.676 -5.413 8.006 1.00 0.00 N ATOM 389 CA ALA A 23 6.227 -5.347 8.087 1.00 0.00 C ATOM 390 C ALA A 23 5.652 -5.108 6.690 1.00 0.00 C ATOM 391 O ALA A 23 4.444 -5.213 6.485 1.00 0.00 O ATOM 392 CB ALA A 23 5.820 -4.256 9.080 1.00 0.00 C ATOM 0 H ALA A 23 8.154 -4.533 8.200 1.00 0.00 H new ATOM 0 HA ALA A 23 5.820 -6.290 8.453 1.00 0.00 H new ATOM 0 HB1 ALA A 23 4.733 -4.206 9.141 1.00 0.00 H new ATOM 0 HB2 ALA A 23 6.228 -4.489 10.064 1.00 0.00 H new ATOM 0 HB3 ALA A 23 6.209 -3.295 8.744 1.00 0.00 H new ATOM 398 N VAL A 24 6.545 -4.790 5.764 1.00 0.00 N ATOM 399 CA VAL A 24 6.142 -4.535 4.392 1.00 0.00 C ATOM 400 C VAL A 24 6.850 -5.525 3.464 1.00 0.00 C ATOM 401 O VAL A 24 6.783 -5.394 2.243 1.00 0.00 O ATOM 402 CB VAL A 24 6.417 -3.074 4.029 1.00 0.00 C ATOM 403 CG1 VAL A 24 5.914 -2.133 5.125 1.00 0.00 C ATOM 404 CG2 VAL A 24 7.905 -2.849 3.752 1.00 0.00 C ATOM 0 H VAL A 24 7.546 -4.703 5.937 1.00 0.00 H new ATOM 0 HA VAL A 24 5.069 -4.689 4.274 1.00 0.00 H new ATOM 0 HB VAL A 24 5.868 -2.846 3.115 1.00 0.00 H new ATOM 0 HG11 VAL A 24 6.122 -1.101 4.842 1.00 0.00 H new ATOM 0 HG12 VAL A 24 4.840 -2.265 5.253 1.00 0.00 H new ATOM 0 HG13 VAL A 24 6.422 -2.362 6.062 1.00 0.00 H new ATOM 0 HG21 VAL A 24 8.073 -1.803 3.496 1.00 0.00 H new ATOM 0 HG22 VAL A 24 8.483 -3.103 4.641 1.00 0.00 H new ATOM 0 HG23 VAL A 24 8.220 -3.481 2.921 1.00 0.00 H new ATOM 414 N SER A 25 7.513 -6.493 4.079 1.00 0.00 N ATOM 415 CA SER A 25 8.232 -7.505 3.324 1.00 0.00 C ATOM 416 C SER A 25 7.648 -8.888 3.614 1.00 0.00 C ATOM 417 O SER A 25 8.058 -9.878 3.009 1.00 0.00 O ATOM 418 CB SER A 25 9.726 -7.480 3.655 1.00 0.00 C ATOM 419 OG SER A 25 10.007 -8.105 4.904 1.00 0.00 O ATOM 0 H SER A 25 7.567 -6.598 5.092 1.00 0.00 H new ATOM 0 HA SER A 25 8.118 -7.285 2.262 1.00 0.00 H new ATOM 0 HB2 SER A 25 10.281 -7.985 2.864 1.00 0.00 H new ATOM 0 HB3 SER A 25 10.074 -6.448 3.680 1.00 0.00 H new ATOM 0 HG SER A 25 10.971 -8.070 5.078 1.00 0.00 H new ATOM 425 N THR A 26 6.699 -8.913 4.538 1.00 0.00 N ATOM 426 CA THR A 26 6.054 -10.160 4.915 1.00 0.00 C ATOM 427 C THR A 26 4.543 -10.065 4.697 1.00 0.00 C ATOM 428 O THR A 26 3.997 -8.970 4.576 1.00 0.00 O ATOM 429 CB THR A 26 6.441 -10.473 6.362 1.00 0.00 C ATOM 430 OG1 THR A 26 6.072 -9.300 7.082 1.00 0.00 O ATOM 431 CG2 THR A 26 7.955 -10.569 6.556 1.00 0.00 C ATOM 0 H THR A 26 6.361 -8.090 5.037 1.00 0.00 H new ATOM 0 HA THR A 26 6.390 -10.986 4.288 1.00 0.00 H new ATOM 0 HB THR A 26 5.976 -11.411 6.667 1.00 0.00 H new ATOM 0 HG1 THR A 26 6.877 -8.866 7.436 1.00 0.00 H new ATOM 0 HG21 THR A 26 8.175 -10.793 7.600 1.00 0.00 H new ATOM 0 HG22 THR A 26 8.353 -11.362 5.923 1.00 0.00 H new ATOM 0 HG23 THR A 26 8.418 -9.621 6.283 1.00 0.00 H new ATOM 439 N SER A 27 3.910 -11.228 4.653 1.00 0.00 N ATOM 440 CA SER A 27 2.472 -11.291 4.451 1.00 0.00 C ATOM 441 C SER A 27 1.745 -10.885 5.735 1.00 0.00 C ATOM 442 O SER A 27 0.809 -10.088 5.697 1.00 0.00 O ATOM 443 CB SER A 27 2.038 -12.691 4.015 1.00 0.00 C ATOM 444 OG SER A 27 3.039 -13.344 3.240 1.00 0.00 O ATOM 0 H SER A 27 4.366 -12.135 4.754 1.00 0.00 H new ATOM 0 HA SER A 27 2.207 -10.594 3.656 1.00 0.00 H new ATOM 0 HB2 SER A 27 1.813 -13.292 4.896 1.00 0.00 H new ATOM 0 HB3 SER A 27 1.118 -12.621 3.434 1.00 0.00 H new ATOM 0 HG SER A 27 3.556 -12.676 2.744 1.00 0.00 H new ATOM 450 N GLU A 28 2.204 -11.451 6.841 1.00 0.00 N ATOM 451 CA GLU A 28 1.610 -11.158 8.134 1.00 0.00 C ATOM 452 C GLU A 28 1.742 -9.667 8.453 1.00 0.00 C ATOM 453 O GLU A 28 0.856 -9.081 9.073 1.00 0.00 O ATOM 454 CB GLU A 28 2.241 -12.013 9.235 1.00 0.00 C ATOM 455 CG GLU A 28 1.180 -12.836 9.966 1.00 0.00 C ATOM 456 CD GLU A 28 0.554 -12.033 11.109 1.00 0.00 C ATOM 457 OE1 GLU A 28 1.260 -11.843 12.122 1.00 0.00 O ATOM 458 OE2 GLU A 28 -0.617 -11.627 10.942 1.00 0.00 O ATOM 0 H GLU A 28 2.981 -12.111 6.868 1.00 0.00 H new ATOM 0 HA GLU A 28 0.550 -11.408 8.090 1.00 0.00 H new ATOM 0 HB2 GLU A 28 2.987 -12.679 8.801 1.00 0.00 H new ATOM 0 HB3 GLU A 28 2.762 -11.371 9.946 1.00 0.00 H new ATOM 0 HG2 GLU A 28 0.404 -13.141 9.264 1.00 0.00 H new ATOM 0 HG3 GLU A 28 1.630 -13.747 10.361 1.00 0.00 H new ATOM 465 N GLY A 29 2.855 -9.098 8.017 1.00 0.00 N ATOM 466 CA GLY A 29 3.115 -7.687 8.248 1.00 0.00 C ATOM 467 C GLY A 29 2.279 -6.814 7.310 1.00 0.00 C ATOM 468 O GLY A 29 1.807 -5.749 7.703 1.00 0.00 O ATOM 0 H GLY A 29 3.588 -9.588 7.505 1.00 0.00 H new ATOM 0 HA2 GLY A 29 2.886 -7.436 9.284 1.00 0.00 H new ATOM 0 HA3 GLY A 29 4.174 -7.479 8.096 1.00 0.00 H new ATOM 472 N LEU A 30 2.122 -7.299 6.087 1.00 0.00 N ATOM 473 CA LEU A 30 1.351 -6.577 5.089 1.00 0.00 C ATOM 474 C LEU A 30 -0.140 -6.717 5.403 1.00 0.00 C ATOM 475 O LEU A 30 -0.843 -5.719 5.554 1.00 0.00 O ATOM 476 CB LEU A 30 1.730 -7.039 3.681 1.00 0.00 C ATOM 477 CG LEU A 30 2.668 -6.116 2.901 1.00 0.00 C ATOM 478 CD1 LEU A 30 3.715 -6.923 2.131 1.00 0.00 C ATOM 479 CD2 LEU A 30 1.879 -5.179 1.985 1.00 0.00 C ATOM 0 H LEU A 30 2.516 -8.183 5.765 1.00 0.00 H new ATOM 0 HA LEU A 30 1.585 -5.513 5.123 1.00 0.00 H new ATOM 0 HB2 LEU A 30 2.198 -8.020 3.756 1.00 0.00 H new ATOM 0 HB3 LEU A 30 0.814 -7.166 3.103 1.00 0.00 H new ATOM 0 HG LEU A 30 3.204 -5.491 3.615 1.00 0.00 H new ATOM 0 HD11 LEU A 30 4.369 -6.243 1.585 1.00 0.00 H new ATOM 0 HD12 LEU A 30 4.307 -7.512 2.831 1.00 0.00 H new ATOM 0 HD13 LEU A 30 3.216 -7.589 1.427 1.00 0.00 H new ATOM 0 HD21 LEU A 30 2.570 -4.534 1.442 1.00 0.00 H new ATOM 0 HD22 LEU A 30 1.299 -5.768 1.275 1.00 0.00 H new ATOM 0 HD23 LEU A 30 1.205 -4.566 2.584 1.00 0.00 H new ATOM 491 N ALA A 31 -0.578 -7.964 5.491 1.00 0.00 N ATOM 492 CA ALA A 31 -1.973 -8.248 5.783 1.00 0.00 C ATOM 493 C ALA A 31 -2.370 -7.546 7.083 1.00 0.00 C ATOM 494 O ALA A 31 -3.555 -7.355 7.353 1.00 0.00 O ATOM 495 CB ALA A 31 -2.183 -9.763 5.851 1.00 0.00 C ATOM 0 H ALA A 31 0.008 -8.789 5.365 1.00 0.00 H new ATOM 0 HA ALA A 31 -2.616 -7.865 4.991 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -3.229 -9.976 6.070 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -1.914 -10.211 4.894 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -1.555 -10.182 6.637 1.00 0.00 H new ATOM 501 N PHE A 32 -1.357 -7.182 7.855 1.00 0.00 N ATOM 502 CA PHE A 32 -1.585 -6.505 9.120 1.00 0.00 C ATOM 503 C PHE A 32 -2.277 -5.158 8.904 1.00 0.00 C ATOM 504 O PHE A 32 -2.906 -4.625 9.817 1.00 0.00 O ATOM 505 CB PHE A 32 -0.213 -6.265 9.753 1.00 0.00 C ATOM 506 CG PHE A 32 -0.173 -6.513 11.263 1.00 0.00 C ATOM 507 CD1 PHE A 32 -1.198 -6.089 12.049 1.00 0.00 C ATOM 508 CD2 PHE A 32 0.889 -7.157 11.818 1.00 0.00 C ATOM 509 CE1 PHE A 32 -1.160 -6.319 13.450 1.00 0.00 C ATOM 510 CE2 PHE A 32 0.927 -7.387 13.218 1.00 0.00 C ATOM 511 CZ PHE A 32 -0.098 -6.963 14.005 1.00 0.00 C ATOM 0 H PHE A 32 -0.376 -7.343 7.629 1.00 0.00 H new ATOM 0 HA PHE A 32 -2.226 -7.114 9.758 1.00 0.00 H new ATOM 0 HB2 PHE A 32 0.518 -6.913 9.269 1.00 0.00 H new ATOM 0 HB3 PHE A 32 0.092 -5.237 9.556 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -2.041 -5.577 11.608 1.00 0.00 H new ATOM 0 HD2 PHE A 32 1.703 -7.493 11.193 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -1.974 -5.983 14.075 1.00 0.00 H new ATOM 0 HE2 PHE A 32 1.770 -7.899 13.658 1.00 0.00 H new ATOM 0 HZ PHE A 32 -0.069 -7.138 15.070 1.00 0.00 H new ATOM 521 N TRP A 33 -2.137 -4.644 7.691 1.00 0.00 N ATOM 522 CA TRP A 33 -2.740 -3.369 7.343 1.00 0.00 C ATOM 523 C TRP A 33 -3.375 -3.508 5.958 1.00 0.00 C ATOM 524 O TRP A 33 -4.534 -3.144 5.763 1.00 0.00 O ATOM 525 CB TRP A 33 -1.713 -2.238 7.419 1.00 0.00 C ATOM 526 CG TRP A 33 -0.463 -2.474 6.569 1.00 0.00 C ATOM 527 CD1 TRP A 33 0.644 -3.152 6.900 1.00 0.00 C ATOM 528 CD2 TRP A 33 -0.237 -2.003 5.223 1.00 0.00 C ATOM 529 NE1 TRP A 33 1.564 -3.152 5.872 1.00 0.00 N ATOM 530 CE2 TRP A 33 1.011 -2.431 4.819 1.00 0.00 C ATOM 531 CE3 TRP A 33 -1.060 -1.241 4.376 1.00 0.00 C ATOM 532 CZ2 TRP A 33 1.548 -2.146 3.558 1.00 0.00 C ATOM 533 CZ3 TRP A 33 -0.508 -0.964 3.119 1.00 0.00 C ATOM 534 CH2 TRP A 33 0.746 -1.388 2.697 1.00 0.00 C ATOM 0 H TRP A 33 -1.614 -5.088 6.936 1.00 0.00 H new ATOM 0 HA TRP A 33 -3.519 -3.103 8.058 1.00 0.00 H new ATOM 0 HB2 TRP A 33 -2.186 -1.309 7.100 1.00 0.00 H new ATOM 0 HB3 TRP A 33 -1.413 -2.103 8.458 1.00 0.00 H new ATOM 0 HD1 TRP A 33 0.797 -3.638 7.852 1.00 0.00 H new ATOM 0 HE1 TRP A 33 2.481 -3.599 5.882 1.00 0.00 H new ATOM 0 HE3 TRP A 33 -2.040 -0.896 4.671 1.00 0.00 H new ATOM 0 HZ2 TRP A 33 2.528 -2.492 3.265 1.00 0.00 H new ATOM 0 HZ3 TRP A 33 -1.099 -0.380 2.429 1.00 0.00 H new ATOM 0 HH2 TRP A 33 1.100 -1.134 1.709 1.00 0.00 H new ATOM 545 N PHE A 34 -2.589 -4.036 5.032 1.00 0.00 N ATOM 546 CA PHE A 34 -3.060 -4.228 3.671 1.00 0.00 C ATOM 547 C PHE A 34 -4.126 -5.323 3.609 1.00 0.00 C ATOM 548 O PHE A 34 -5.316 -5.044 3.745 1.00 0.00 O ATOM 549 CB PHE A 34 -1.852 -4.660 2.837 1.00 0.00 C ATOM 550 CG PHE A 34 -2.217 -5.233 1.465 1.00 0.00 C ATOM 551 CD1 PHE A 34 -3.140 -4.605 0.690 1.00 0.00 C ATOM 552 CD2 PHE A 34 -1.616 -6.370 1.022 1.00 0.00 C ATOM 553 CE1 PHE A 34 -3.478 -5.136 -0.583 1.00 0.00 C ATOM 554 CE2 PHE A 34 -1.954 -6.902 -0.251 1.00 0.00 C ATOM 555 CZ PHE A 34 -2.878 -6.274 -1.026 1.00 0.00 C ATOM 0 H PHE A 34 -1.629 -4.337 5.197 1.00 0.00 H new ATOM 0 HA PHE A 34 -3.504 -3.305 3.297 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -1.194 -3.802 2.698 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -1.288 -5.408 3.394 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -3.616 -3.702 1.042 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -0.882 -6.868 1.638 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -4.211 -4.637 -1.199 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -1.477 -7.805 -0.603 1.00 0.00 H new ATOM 0 HZ PHE A 34 -3.136 -6.679 -1.994 1.00 0.00 H new ATOM 565 N MET A 35 -3.661 -6.547 3.404 1.00 0.00 N ATOM 566 CA MET A 35 -4.560 -7.686 3.322 1.00 0.00 C ATOM 567 C MET A 35 -3.777 -8.999 3.268 1.00 0.00 C ATOM 568 O MET A 35 -2.570 -8.997 3.032 1.00 0.00 O ATOM 569 CB MET A 35 -5.432 -7.559 2.072 1.00 0.00 C ATOM 570 CG MET A 35 -6.755 -6.861 2.395 1.00 0.00 C ATOM 571 SD MET A 35 -6.893 -5.349 1.456 1.00 0.00 S ATOM 572 CE MET A 35 -6.780 -6.001 -0.201 1.00 0.00 C ATOM 0 H MET A 35 -2.673 -6.775 3.292 1.00 0.00 H new ATOM 0 HA MET A 35 -5.187 -7.695 4.213 1.00 0.00 H new ATOM 0 HB2 MET A 35 -4.897 -6.996 1.307 1.00 0.00 H new ATOM 0 HB3 MET A 35 -5.630 -8.549 1.660 1.00 0.00 H new ATOM 0 HG2 MET A 35 -7.590 -7.521 2.162 1.00 0.00 H new ATOM 0 HG3 MET A 35 -6.810 -6.643 3.462 1.00 0.00 H new ATOM 0 HE1 MET A 35 -7.533 -5.527 -0.831 1.00 0.00 H new ATOM 0 HE2 MET A 35 -5.788 -5.798 -0.605 1.00 0.00 H new ATOM 0 HE3 MET A 35 -6.950 -7.077 -0.181 1.00 0.00 H new ATOM 582 N GLU A 36 -4.497 -10.089 3.489 1.00 0.00 N ATOM 583 CA GLU A 36 -3.885 -11.407 3.469 1.00 0.00 C ATOM 584 C GLU A 36 -3.225 -11.664 2.112 1.00 0.00 C ATOM 585 O GLU A 36 -3.807 -11.372 1.069 1.00 0.00 O ATOM 586 CB GLU A 36 -4.912 -12.493 3.793 1.00 0.00 C ATOM 587 CG GLU A 36 -5.153 -12.587 5.302 1.00 0.00 C ATOM 588 CD GLU A 36 -4.678 -13.933 5.851 1.00 0.00 C ATOM 589 OE1 GLU A 36 -3.463 -14.037 6.127 1.00 0.00 O ATOM 590 OE2 GLU A 36 -5.540 -14.829 5.982 1.00 0.00 O ATOM 0 H GLU A 36 -5.498 -10.087 3.683 1.00 0.00 H new ATOM 0 HA GLU A 36 -3.114 -11.441 4.239 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -5.851 -12.274 3.284 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -4.562 -13.454 3.416 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -4.627 -11.778 5.809 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -6.215 -12.459 5.513 1.00 0.00 H new ATOM 597 N ASN A 37 -2.019 -12.209 2.171 1.00 0.00 N ATOM 598 CA ASN A 37 -1.273 -12.509 0.961 1.00 0.00 C ATOM 599 C ASN A 37 -0.204 -13.558 1.273 1.00 0.00 C ATOM 600 O ASN A 37 -0.148 -14.081 2.384 1.00 0.00 O ATOM 601 CB ASN A 37 -0.569 -11.261 0.424 1.00 0.00 C ATOM 602 CG ASN A 37 0.409 -10.697 1.455 1.00 0.00 C ATOM 603 OD1 ASN A 37 1.608 -10.919 1.399 1.00 0.00 O ATOM 604 ND2 ASN A 37 -0.166 -9.957 2.399 1.00 0.00 N ATOM 0 H ASN A 37 -1.540 -12.451 3.038 1.00 0.00 H new ATOM 0 HA ASN A 37 -1.976 -12.876 0.213 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -0.034 -11.507 -0.493 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -1.310 -10.503 0.168 1.00 0.00 H new ATOM 0 HD21 ASN A 37 0.402 -9.536 3.134 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -1.175 -9.810 2.388 1.00 0.00 H new ATOM 611 N ASP A 38 0.619 -13.834 0.271 1.00 0.00 N ATOM 612 CA ASP A 38 1.683 -14.811 0.424 1.00 0.00 C ATOM 613 C ASP A 38 3.012 -14.181 0.003 1.00 0.00 C ATOM 614 O ASP A 38 3.926 -14.881 -0.431 1.00 0.00 O ATOM 615 CB ASP A 38 1.439 -16.035 -0.461 1.00 0.00 C ATOM 616 CG ASP A 38 1.802 -17.377 0.178 1.00 0.00 C ATOM 617 OD1 ASP A 38 3.013 -17.589 0.403 1.00 0.00 O ATOM 618 OD2 ASP A 38 0.860 -18.160 0.427 1.00 0.00 O ATOM 0 H ASP A 38 0.570 -13.398 -0.650 1.00 0.00 H new ATOM 0 HA ASP A 38 1.708 -15.121 1.469 1.00 0.00 H new ATOM 0 HB2 ASP A 38 0.386 -16.057 -0.743 1.00 0.00 H new ATOM 0 HB3 ASP A 38 2.013 -15.920 -1.380 1.00 0.00 H new ATOM 623 N LEU A 39 3.078 -12.865 0.146 1.00 0.00 N ATOM 624 CA LEU A 39 4.280 -12.133 -0.214 1.00 0.00 C ATOM 625 C LEU A 39 5.418 -12.534 0.726 1.00 0.00 C ATOM 626 O LEU A 39 5.177 -12.915 1.871 1.00 0.00 O ATOM 627 CB LEU A 39 4.004 -10.628 -0.238 1.00 0.00 C ATOM 628 CG LEU A 39 5.120 -9.750 -0.808 1.00 0.00 C ATOM 629 CD1 LEU A 39 4.654 -9.022 -2.070 1.00 0.00 C ATOM 630 CD2 LEU A 39 5.650 -8.780 0.251 1.00 0.00 C ATOM 0 H LEU A 39 2.318 -12.287 0.506 1.00 0.00 H new ATOM 0 HA LEU A 39 4.595 -12.393 -1.225 1.00 0.00 H new ATOM 0 HB2 LEU A 39 3.099 -10.454 -0.820 1.00 0.00 H new ATOM 0 HB3 LEU A 39 3.796 -10.301 0.781 1.00 0.00 H new ATOM 0 HG LEU A 39 5.949 -10.396 -1.097 1.00 0.00 H new ATOM 0 HD11 LEU A 39 5.466 -8.405 -2.455 1.00 0.00 H new ATOM 0 HD12 LEU A 39 4.364 -9.752 -2.825 1.00 0.00 H new ATOM 0 HD13 LEU A 39 3.800 -8.389 -1.830 1.00 0.00 H new ATOM 0 HD21 LEU A 39 6.442 -8.168 -0.180 1.00 0.00 H new ATOM 0 HD22 LEU A 39 4.840 -8.136 0.593 1.00 0.00 H new ATOM 0 HD23 LEU A 39 6.046 -9.344 1.095 1.00 0.00 H new ATOM 642 N LYS A 40 6.634 -12.436 0.208 1.00 0.00 N ATOM 643 CA LYS A 40 7.810 -12.785 0.988 1.00 0.00 C ATOM 644 C LYS A 40 8.997 -11.942 0.517 1.00 0.00 C ATOM 645 O LYS A 40 10.150 -12.322 0.714 1.00 0.00 O ATOM 646 CB LYS A 40 8.064 -14.292 0.929 1.00 0.00 C ATOM 647 CG LYS A 40 7.254 -15.027 1.999 1.00 0.00 C ATOM 648 CD LYS A 40 8.108 -16.082 2.705 1.00 0.00 C ATOM 649 CE LYS A 40 9.210 -15.427 3.540 1.00 0.00 C ATOM 650 NZ LYS A 40 9.682 -16.353 4.593 1.00 0.00 N ATOM 0 H LYS A 40 6.830 -12.120 -0.742 1.00 0.00 H new ATOM 0 HA LYS A 40 7.652 -12.553 2.041 1.00 0.00 H new ATOM 0 HB2 LYS A 40 7.798 -14.671 -0.058 1.00 0.00 H new ATOM 0 HB3 LYS A 40 9.126 -14.491 1.071 1.00 0.00 H new ATOM 0 HG2 LYS A 40 6.876 -14.312 2.729 1.00 0.00 H new ATOM 0 HG3 LYS A 40 6.387 -15.503 1.541 1.00 0.00 H new ATOM 0 HD2 LYS A 40 7.476 -16.696 3.347 1.00 0.00 H new ATOM 0 HD3 LYS A 40 8.554 -16.748 1.966 1.00 0.00 H new ATOM 0 HE2 LYS A 40 10.043 -15.144 2.896 1.00 0.00 H new ATOM 0 HE3 LYS A 40 8.834 -14.511 3.995 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 10.430 -15.893 5.150 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 8.888 -16.602 5.217 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 10.060 -17.216 4.152 1.00 0.00 H new ATOM 664 N ALA A 41 8.673 -10.813 -0.097 1.00 0.00 N ATOM 665 CA ALA A 41 9.698 -9.913 -0.598 1.00 0.00 C ATOM 666 C ALA A 41 10.629 -10.681 -1.539 1.00 0.00 C ATOM 667 O ALA A 41 11.804 -10.875 -1.234 1.00 0.00 O ATOM 668 CB ALA A 41 10.448 -9.287 0.580 1.00 0.00 C ATOM 0 H ALA A 41 7.715 -10.501 -0.259 1.00 0.00 H new ATOM 0 HA ALA A 41 9.249 -9.100 -1.169 1.00 0.00 H new ATOM 0 HB1 ALA A 41 11.217 -8.612 0.204 1.00 0.00 H new ATOM 0 HB2 ALA A 41 9.748 -8.729 1.202 1.00 0.00 H new ATOM 0 HB3 ALA A 41 10.914 -10.073 1.174 1.00 0.00 H new ATOM 674 N GLU A 42 10.067 -11.096 -2.665 1.00 0.00 N ATOM 675 CA GLU A 42 10.832 -11.838 -3.653 1.00 0.00 C ATOM 676 C GLU A 42 10.274 -11.585 -5.055 1.00 0.00 C ATOM 677 O GLU A 42 9.179 -12.040 -5.383 1.00 0.00 O ATOM 678 CB GLU A 42 10.842 -13.333 -3.329 1.00 0.00 C ATOM 679 CG GLU A 42 12.259 -13.904 -3.420 1.00 0.00 C ATOM 680 CD GLU A 42 12.438 -15.081 -2.458 1.00 0.00 C ATOM 681 OE1 GLU A 42 11.938 -14.964 -1.319 1.00 0.00 O ATOM 682 OE2 GLU A 42 13.072 -16.071 -2.885 1.00 0.00 O ATOM 0 H GLU A 42 9.092 -10.933 -2.915 1.00 0.00 H new ATOM 0 HA GLU A 42 11.863 -11.487 -3.624 1.00 0.00 H new ATOM 0 HB2 GLU A 42 10.445 -13.494 -2.327 1.00 0.00 H new ATOM 0 HB3 GLU A 42 10.187 -13.863 -4.021 1.00 0.00 H new ATOM 0 HG2 GLU A 42 12.459 -14.230 -4.441 1.00 0.00 H new ATOM 0 HG3 GLU A 42 12.985 -13.125 -3.186 1.00 0.00 H new ATOM 689 N THR A 43 11.053 -10.860 -5.845 1.00 0.00 N ATOM 690 CA THR A 43 10.651 -10.541 -7.204 1.00 0.00 C ATOM 691 C THR A 43 10.279 -11.817 -7.964 1.00 0.00 C ATOM 692 O THR A 43 10.959 -12.834 -7.846 1.00 0.00 O ATOM 693 CB THR A 43 11.786 -9.753 -7.861 1.00 0.00 C ATOM 694 OG1 THR A 43 11.126 -8.917 -8.808 1.00 0.00 O ATOM 695 CG2 THR A 43 12.696 -10.638 -8.715 1.00 0.00 C ATOM 0 H THR A 43 11.960 -10.485 -5.569 1.00 0.00 H new ATOM 0 HA THR A 43 9.755 -9.920 -7.215 1.00 0.00 H new ATOM 0 HB THR A 43 12.379 -9.260 -7.090 1.00 0.00 H new ATOM 0 HG1 THR A 43 11.789 -8.370 -9.279 1.00 0.00 H new ATOM 0 HG21 THR A 43 13.484 -10.029 -9.158 1.00 0.00 H new ATOM 0 HG22 THR A 43 13.143 -11.411 -8.090 1.00 0.00 H new ATOM 0 HG23 THR A 43 12.110 -11.105 -9.507 1.00 0.00 H new ATOM 703 N GLY A 44 9.199 -11.720 -8.726 1.00 0.00 N ATOM 704 CA GLY A 44 8.728 -12.853 -9.504 1.00 0.00 C ATOM 705 C GLY A 44 8.129 -13.929 -8.597 1.00 0.00 C ATOM 706 O GLY A 44 8.192 -15.117 -8.912 1.00 0.00 O ATOM 0 H GLY A 44 8.637 -10.874 -8.821 1.00 0.00 H new ATOM 0 HA2 GLY A 44 7.979 -12.519 -10.222 1.00 0.00 H new ATOM 0 HA3 GLY A 44 9.554 -13.274 -10.077 1.00 0.00 H new ATOM 710 N HIS A 45 7.561 -13.476 -7.489 1.00 0.00 N ATOM 711 CA HIS A 45 6.951 -14.386 -6.535 1.00 0.00 C ATOM 712 C HIS A 45 5.428 -14.259 -6.606 1.00 0.00 C ATOM 713 O HIS A 45 4.821 -13.556 -5.799 1.00 0.00 O ATOM 714 CB HIS A 45 7.501 -14.146 -5.127 1.00 0.00 C ATOM 715 CG HIS A 45 6.892 -15.035 -4.070 1.00 0.00 C ATOM 716 ND1 HIS A 45 6.745 -16.402 -4.233 1.00 0.00 N ATOM 717 CD2 HIS A 45 6.394 -14.739 -2.835 1.00 0.00 C ATOM 718 CE1 HIS A 45 6.183 -16.895 -3.139 1.00 0.00 C ATOM 719 NE2 HIS A 45 5.966 -15.863 -2.274 1.00 0.00 N ATOM 0 H HIS A 45 7.510 -12.491 -7.231 1.00 0.00 H new ATOM 0 HA HIS A 45 7.208 -15.414 -6.792 1.00 0.00 H new ATOM 0 HB2 HIS A 45 8.580 -14.299 -5.139 1.00 0.00 H new ATOM 0 HB3 HIS A 45 7.330 -13.105 -4.854 1.00 0.00 H new ATOM 0 HD2 HIS A 45 6.355 -13.756 -2.389 1.00 0.00 H new ATOM 0 HE1 HIS A 45 5.939 -17.932 -2.963 1.00 0.00 H new ATOM 0 HE2 HIS A 45 5.544 -15.942 -1.349 1.00 0.00 H new ATOM 727 N HIS A 46 4.854 -14.951 -7.579 1.00 0.00 N ATOM 728 CA HIS A 46 3.413 -14.925 -7.766 1.00 0.00 C ATOM 729 C HIS A 46 2.720 -15.398 -6.486 1.00 0.00 C ATOM 730 O HIS A 46 2.736 -16.586 -6.171 1.00 0.00 O ATOM 731 CB HIS A 46 3.010 -15.743 -8.995 1.00 0.00 C ATOM 732 CG HIS A 46 3.699 -17.082 -9.095 1.00 0.00 C ATOM 733 ND1 HIS A 46 4.878 -17.269 -9.796 1.00 0.00 N ATOM 734 CD2 HIS A 46 3.365 -18.298 -8.574 1.00 0.00 C ATOM 735 CE1 HIS A 46 5.227 -18.543 -9.696 1.00 0.00 C ATOM 736 NE2 HIS A 46 4.287 -19.179 -8.938 1.00 0.00 N ATOM 0 H HIS A 46 5.360 -15.533 -8.246 1.00 0.00 H new ATOM 0 HA HIS A 46 3.086 -13.903 -7.958 1.00 0.00 H new ATOM 0 HB2 HIS A 46 1.932 -15.901 -8.975 1.00 0.00 H new ATOM 0 HB3 HIS A 46 3.231 -15.164 -9.892 1.00 0.00 H new ATOM 0 HD2 HIS A 46 2.496 -18.508 -7.967 1.00 0.00 H new ATOM 0 HE1 HIS A 46 6.102 -18.998 -10.137 1.00 0.00 H new ATOM 0 HE2 HIS A 46 4.293 -20.169 -8.692 1.00 0.00 H new ATOM 744 N PHE A 47 2.129 -14.442 -5.784 1.00 0.00 N ATOM 745 CA PHE A 47 1.433 -14.746 -4.546 1.00 0.00 C ATOM 746 C PHE A 47 -0.063 -14.446 -4.671 1.00 0.00 C ATOM 747 O PHE A 47 -0.453 -13.472 -5.311 1.00 0.00 O ATOM 748 CB PHE A 47 2.032 -13.846 -3.463 1.00 0.00 C ATOM 749 CG PHE A 47 1.751 -12.355 -3.667 1.00 0.00 C ATOM 750 CD1 PHE A 47 2.518 -11.630 -4.524 1.00 0.00 C ATOM 751 CD2 PHE A 47 0.734 -11.757 -2.990 1.00 0.00 C ATOM 752 CE1 PHE A 47 2.257 -10.247 -4.713 1.00 0.00 C ATOM 753 CE2 PHE A 47 0.473 -10.374 -3.179 1.00 0.00 C ATOM 754 CZ PHE A 47 1.240 -9.648 -4.037 1.00 0.00 C ATOM 0 H PHE A 47 2.118 -13.457 -6.049 1.00 0.00 H new ATOM 0 HA PHE A 47 1.546 -15.803 -4.305 1.00 0.00 H new ATOM 0 HB2 PHE A 47 1.638 -14.150 -2.493 1.00 0.00 H new ATOM 0 HB3 PHE A 47 3.110 -14.001 -3.432 1.00 0.00 H new ATOM 0 HD1 PHE A 47 3.325 -12.106 -5.061 1.00 0.00 H new ATOM 0 HD2 PHE A 47 0.125 -12.334 -2.309 1.00 0.00 H new ATOM 0 HE1 PHE A 47 2.866 -9.671 -5.394 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -0.334 -9.898 -2.642 1.00 0.00 H new ATOM 0 HZ PHE A 47 1.041 -8.596 -4.181 1.00 0.00 H new ATOM 764 N HIS A 48 -0.859 -15.303 -4.048 1.00 0.00 N ATOM 765 CA HIS A 48 -2.303 -15.143 -4.081 1.00 0.00 C ATOM 766 C HIS A 48 -2.725 -14.083 -3.062 1.00 0.00 C ATOM 767 O HIS A 48 -2.002 -13.815 -2.104 1.00 0.00 O ATOM 768 CB HIS A 48 -3.003 -16.486 -3.865 1.00 0.00 C ATOM 769 CG HIS A 48 -2.901 -17.428 -5.041 1.00 0.00 C ATOM 770 ND1 HIS A 48 -1.808 -18.251 -5.249 1.00 0.00 N ATOM 771 CD2 HIS A 48 -3.766 -17.669 -6.068 1.00 0.00 C ATOM 772 CE1 HIS A 48 -2.017 -18.951 -6.355 1.00 0.00 C ATOM 773 NE2 HIS A 48 -3.230 -18.588 -6.861 1.00 0.00 N ATOM 0 H HIS A 48 -0.531 -16.110 -3.518 1.00 0.00 H new ATOM 0 HA HIS A 48 -2.612 -14.793 -5.066 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -2.575 -16.970 -2.987 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -4.056 -16.305 -3.648 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -4.725 -17.193 -6.211 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -1.344 -19.681 -6.781 1.00 0.00 H new ATOM 0 HE2 HIS A 48 -3.655 -18.961 -7.710 1.00 0.00 H new ATOM 781 N LEU A 49 -3.895 -13.509 -3.303 1.00 0.00 N ATOM 782 CA LEU A 49 -4.422 -12.485 -2.418 1.00 0.00 C ATOM 783 C LEU A 49 -5.852 -12.852 -2.015 1.00 0.00 C ATOM 784 O LEU A 49 -6.669 -13.201 -2.864 1.00 0.00 O ATOM 785 CB LEU A 49 -4.301 -11.103 -3.065 1.00 0.00 C ATOM 786 CG LEU A 49 -4.644 -9.911 -2.170 1.00 0.00 C ATOM 787 CD1 LEU A 49 -3.428 -9.472 -1.352 1.00 0.00 C ATOM 788 CD2 LEU A 49 -5.229 -8.760 -2.990 1.00 0.00 C ATOM 0 H LEU A 49 -4.492 -13.734 -4.099 1.00 0.00 H new ATOM 0 HA LEU A 49 -3.835 -12.435 -1.501 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -3.279 -10.980 -3.424 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -4.952 -11.075 -3.939 1.00 0.00 H new ATOM 0 HG LEU A 49 -5.412 -10.225 -1.463 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -3.699 -8.623 -0.724 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -3.096 -10.297 -0.722 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -2.622 -9.182 -2.026 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -5.464 -7.925 -2.329 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -4.502 -8.439 -3.736 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -6.138 -9.095 -3.490 1.00 0.00 H new ATOM 800 N GLN A 50 -6.109 -12.759 -0.718 1.00 0.00 N ATOM 801 CA GLN A 50 -7.425 -13.077 -0.192 1.00 0.00 C ATOM 802 C GLN A 50 -8.175 -11.794 0.172 1.00 0.00 C ATOM 803 O GLN A 50 -8.309 -11.462 1.349 1.00 0.00 O ATOM 804 CB GLN A 50 -7.323 -14.014 1.013 1.00 0.00 C ATOM 805 CG GLN A 50 -6.822 -15.397 0.592 1.00 0.00 C ATOM 806 CD GLN A 50 -7.859 -16.476 0.913 1.00 0.00 C ATOM 807 OE1 GLN A 50 -7.842 -17.097 1.963 1.00 0.00 O ATOM 808 NE2 GLN A 50 -8.759 -16.664 -0.048 1.00 0.00 N ATOM 0 H GLN A 50 -5.428 -12.468 -0.017 1.00 0.00 H new ATOM 0 HA GLN A 50 -7.989 -13.597 -0.967 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -6.646 -13.588 1.753 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -8.299 -14.106 1.490 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -6.607 -15.400 -0.477 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -5.887 -15.621 1.106 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -8.716 -16.109 -0.903 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -9.493 -17.363 0.070 1.00 0.00 H new ATOM 817 N SER A 51 -8.645 -11.108 -0.859 1.00 0.00 N ATOM 818 CA SER A 51 -9.378 -9.869 -0.662 1.00 0.00 C ATOM 819 C SER A 51 -10.842 -10.173 -0.338 1.00 0.00 C ATOM 820 O SER A 51 -11.317 -11.283 -0.575 1.00 0.00 O ATOM 821 CB SER A 51 -9.283 -8.971 -1.897 1.00 0.00 C ATOM 822 OG SER A 51 -10.389 -9.153 -2.776 1.00 0.00 O ATOM 0 H SER A 51 -8.533 -11.387 -1.834 1.00 0.00 H new ATOM 0 HA SER A 51 -8.930 -9.336 0.177 1.00 0.00 H new ATOM 0 HB2 SER A 51 -9.237 -7.928 -1.584 1.00 0.00 H new ATOM 0 HB3 SER A 51 -8.357 -9.185 -2.431 1.00 0.00 H new ATOM 0 HG SER A 51 -10.278 -9.991 -3.272 1.00 0.00 H new ATOM 828 N PRO A 52 -11.535 -9.141 0.214 1.00 0.00 N ATOM 829 CA PRO A 52 -12.935 -9.287 0.573 1.00 0.00 C ATOM 830 C PRO A 52 -13.826 -9.265 -0.672 1.00 0.00 C ATOM 831 O PRO A 52 -15.027 -9.513 -0.584 1.00 0.00 O ATOM 832 CB PRO A 52 -13.219 -8.137 1.526 1.00 0.00 C ATOM 833 CG PRO A 52 -12.105 -7.127 1.304 1.00 0.00 C ATOM 834 CD PRO A 52 -11.006 -7.813 0.509 1.00 0.00 C ATOM 0 HA PRO A 52 -13.149 -10.244 1.049 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -14.194 -7.694 1.324 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -13.234 -8.481 2.560 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -12.480 -6.257 0.765 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -11.719 -6.768 2.258 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -10.778 -7.265 -0.406 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -10.081 -7.874 1.083 1.00 0.00 H new ATOM 842 N PHE A 53 -13.201 -8.966 -1.802 1.00 0.00 N ATOM 843 CA PHE A 53 -13.922 -8.909 -3.062 1.00 0.00 C ATOM 844 C PHE A 53 -13.444 -10.005 -4.017 1.00 0.00 C ATOM 845 O PHE A 53 -13.236 -9.752 -5.203 1.00 0.00 O ATOM 846 CB PHE A 53 -13.626 -7.543 -3.684 1.00 0.00 C ATOM 847 CG PHE A 53 -14.837 -6.889 -4.354 1.00 0.00 C ATOM 848 CD1 PHE A 53 -15.537 -7.566 -5.304 1.00 0.00 C ATOM 849 CD2 PHE A 53 -15.213 -5.631 -4.000 1.00 0.00 C ATOM 850 CE1 PHE A 53 -16.660 -6.960 -5.925 1.00 0.00 C ATOM 851 CE2 PHE A 53 -16.337 -5.025 -4.621 1.00 0.00 C ATOM 852 CZ PHE A 53 -17.037 -5.702 -5.571 1.00 0.00 C ATOM 0 H PHE A 53 -12.204 -8.761 -1.871 1.00 0.00 H new ATOM 0 HA PHE A 53 -14.988 -9.055 -2.888 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -13.248 -6.876 -2.909 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -12.832 -7.656 -4.422 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -15.238 -8.565 -5.586 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -14.657 -5.093 -3.247 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -17.215 -7.498 -6.679 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -16.636 -4.026 -4.339 1.00 0.00 H new ATOM 0 HZ PHE A 53 -17.892 -5.241 -6.044 1.00 0.00 H new ATOM 862 N GLY A 54 -13.285 -11.199 -3.465 1.00 0.00 N ATOM 863 CA GLY A 54 -12.836 -12.334 -4.252 1.00 0.00 C ATOM 864 C GLY A 54 -11.309 -12.387 -4.316 1.00 0.00 C ATOM 865 O GLY A 54 -10.648 -11.350 -4.337 1.00 0.00 O ATOM 0 H GLY A 54 -13.459 -11.405 -2.481 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -13.217 -13.257 -3.816 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -13.244 -12.266 -5.261 1.00 0.00 H new ATOM 869 N PRO A 55 -10.778 -13.639 -4.346 1.00 0.00 N ATOM 870 CA PRO A 55 -9.340 -13.841 -4.406 1.00 0.00 C ATOM 871 C PRO A 55 -8.804 -13.543 -5.808 1.00 0.00 C ATOM 872 O PRO A 55 -9.421 -13.914 -6.805 1.00 0.00 O ATOM 873 CB PRO A 55 -9.128 -15.286 -3.984 1.00 0.00 C ATOM 874 CG PRO A 55 -10.475 -15.971 -4.151 1.00 0.00 C ATOM 875 CD PRO A 55 -11.530 -14.891 -4.322 1.00 0.00 C ATOM 0 HA PRO A 55 -8.792 -13.164 -3.751 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -8.367 -15.765 -4.600 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -8.785 -15.345 -2.951 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -10.462 -16.632 -5.017 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -10.699 -16.589 -3.282 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -12.095 -15.031 -5.244 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -12.248 -14.906 -3.502 1.00 0.00 H new ATOM 883 N SER A 56 -7.659 -12.877 -5.839 1.00 0.00 N ATOM 884 CA SER A 56 -7.032 -12.525 -7.101 1.00 0.00 C ATOM 885 C SER A 56 -5.530 -12.812 -7.038 1.00 0.00 C ATOM 886 O SER A 56 -4.909 -12.659 -5.988 1.00 0.00 O ATOM 887 CB SER A 56 -7.277 -11.055 -7.447 1.00 0.00 C ATOM 888 OG SER A 56 -8.137 -10.907 -8.573 1.00 0.00 O ATOM 0 H SER A 56 -7.149 -12.572 -5.010 1.00 0.00 H new ATOM 0 HA SER A 56 -7.479 -13.135 -7.886 1.00 0.00 H new ATOM 0 HB2 SER A 56 -7.715 -10.549 -6.587 1.00 0.00 H new ATOM 0 HB3 SER A 56 -6.324 -10.567 -7.652 1.00 0.00 H new ATOM 0 HG SER A 56 -8.270 -9.954 -8.760 1.00 0.00 H new ATOM 894 N PRO A 57 -4.976 -13.235 -8.206 1.00 0.00 N ATOM 895 CA PRO A 57 -3.560 -13.545 -8.293 1.00 0.00 C ATOM 896 C PRO A 57 -2.719 -12.267 -8.317 1.00 0.00 C ATOM 897 O PRO A 57 -3.060 -11.308 -9.007 1.00 0.00 O ATOM 898 CB PRO A 57 -3.416 -14.374 -9.559 1.00 0.00 C ATOM 899 CG PRO A 57 -4.669 -14.107 -10.377 1.00 0.00 C ATOM 900 CD PRO A 57 -5.682 -13.427 -9.470 1.00 0.00 C ATOM 0 HA PRO A 57 -3.197 -14.098 -7.427 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -2.521 -14.090 -10.112 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -3.322 -15.434 -9.323 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -4.438 -13.474 -11.233 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -5.074 -15.039 -10.770 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -6.012 -12.476 -9.888 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -6.571 -14.043 -9.337 1.00 0.00 H new ATOM 908 N CYS A 58 -1.636 -12.296 -7.554 1.00 0.00 N ATOM 909 CA CYS A 58 -0.743 -11.151 -7.478 1.00 0.00 C ATOM 910 C CYS A 58 0.684 -11.638 -7.735 1.00 0.00 C ATOM 911 O CYS A 58 0.974 -12.825 -7.594 1.00 0.00 O ATOM 912 CB CYS A 58 -0.867 -10.425 -6.137 1.00 0.00 C ATOM 913 SG CYS A 58 -2.621 -10.029 -5.799 1.00 0.00 S ATOM 0 H CYS A 58 -1.356 -13.094 -6.983 1.00 0.00 H new ATOM 0 HA CYS A 58 -1.018 -10.420 -8.238 1.00 0.00 H new ATOM 0 HB2 CYS A 58 -0.466 -11.049 -5.338 1.00 0.00 H new ATOM 0 HB3 CYS A 58 -0.276 -9.509 -6.154 1.00 0.00 H new ATOM 0 HG CYS A 58 -3.339 -11.107 -5.911 1.00 0.00 H new ATOM 919 N GLN A 59 1.539 -10.695 -8.106 1.00 0.00 N ATOM 920 CA GLN A 59 2.929 -11.013 -8.383 1.00 0.00 C ATOM 921 C GLN A 59 3.813 -9.790 -8.131 1.00 0.00 C ATOM 922 O GLN A 59 3.421 -8.664 -8.431 1.00 0.00 O ATOM 923 CB GLN A 59 3.099 -11.528 -9.814 1.00 0.00 C ATOM 924 CG GLN A 59 4.578 -11.719 -10.155 1.00 0.00 C ATOM 925 CD GLN A 59 4.752 -12.720 -11.299 1.00 0.00 C ATOM 926 OE1 GLN A 59 4.233 -12.551 -12.390 1.00 0.00 O ATOM 927 NE2 GLN A 59 5.508 -13.770 -10.990 1.00 0.00 N ATOM 0 H GLN A 59 1.295 -9.711 -8.221 1.00 0.00 H new ATOM 0 HA GLN A 59 3.242 -11.808 -7.707 1.00 0.00 H new ATOM 0 HB2 GLN A 59 2.570 -12.474 -9.929 1.00 0.00 H new ATOM 0 HB3 GLN A 59 2.649 -10.824 -10.514 1.00 0.00 H new ATOM 0 HG2 GLN A 59 5.017 -10.761 -10.435 1.00 0.00 H new ATOM 0 HG3 GLN A 59 5.115 -12.071 -9.274 1.00 0.00 H new ATOM 0 HE21 GLN A 59 5.913 -13.850 -10.057 1.00 0.00 H new ATOM 0 HE22 GLN A 59 5.683 -14.495 -11.686 1.00 0.00 H new ATOM 936 N VAL A 60 4.991 -10.054 -7.584 1.00 0.00 N ATOM 937 CA VAL A 60 5.934 -8.988 -7.289 1.00 0.00 C ATOM 938 C VAL A 60 6.734 -8.658 -8.550 1.00 0.00 C ATOM 939 O VAL A 60 7.182 -9.557 -9.259 1.00 0.00 O ATOM 940 CB VAL A 60 6.819 -9.386 -6.106 1.00 0.00 C ATOM 941 CG1 VAL A 60 7.686 -8.211 -5.650 1.00 0.00 C ATOM 942 CG2 VAL A 60 5.978 -9.929 -4.949 1.00 0.00 C ATOM 0 H VAL A 60 5.314 -10.990 -7.338 1.00 0.00 H new ATOM 0 HA VAL A 60 5.406 -8.081 -6.993 1.00 0.00 H new ATOM 0 HB VAL A 60 7.484 -10.183 -6.439 1.00 0.00 H new ATOM 0 HG11 VAL A 60 8.305 -8.521 -4.808 1.00 0.00 H new ATOM 0 HG12 VAL A 60 8.326 -7.890 -6.472 1.00 0.00 H new ATOM 0 HG13 VAL A 60 7.046 -7.384 -5.344 1.00 0.00 H new ATOM 0 HG21 VAL A 60 6.632 -10.204 -4.122 1.00 0.00 H new ATOM 0 HG22 VAL A 60 5.277 -9.163 -4.618 1.00 0.00 H new ATOM 0 HG23 VAL A 60 5.425 -10.807 -5.282 1.00 0.00 H new ATOM 952 N THR A 61 6.890 -7.364 -8.791 1.00 0.00 N ATOM 953 CA THR A 61 7.628 -6.903 -9.955 1.00 0.00 C ATOM 954 C THR A 61 9.011 -6.394 -9.541 1.00 0.00 C ATOM 955 O THR A 61 9.956 -6.448 -10.326 1.00 0.00 O ATOM 956 CB THR A 61 6.779 -5.848 -10.666 1.00 0.00 C ATOM 957 OG1 THR A 61 6.905 -4.690 -9.845 1.00 0.00 O ATOM 958 CG2 THR A 61 5.285 -6.174 -10.625 1.00 0.00 C ATOM 0 H THR A 61 6.518 -6.621 -8.200 1.00 0.00 H new ATOM 0 HA THR A 61 7.812 -7.717 -10.656 1.00 0.00 H new ATOM 0 HB THR A 61 7.103 -5.760 -11.703 1.00 0.00 H new ATOM 0 HG1 THR A 61 6.386 -3.955 -10.234 1.00 0.00 H new ATOM 0 HG21 THR A 61 4.728 -5.394 -11.144 1.00 0.00 H new ATOM 0 HG22 THR A 61 5.108 -7.132 -11.114 1.00 0.00 H new ATOM 0 HG23 THR A 61 4.953 -6.229 -9.588 1.00 0.00 H new ATOM 966 N ASP A 62 9.084 -5.909 -8.310 1.00 0.00 N ATOM 967 CA ASP A 62 10.334 -5.390 -7.783 1.00 0.00 C ATOM 968 C ASP A 62 10.289 -5.418 -6.254 1.00 0.00 C ATOM 969 O ASP A 62 9.298 -5.010 -5.651 1.00 0.00 O ATOM 970 CB ASP A 62 10.558 -3.942 -8.223 1.00 0.00 C ATOM 971 CG ASP A 62 11.715 -3.736 -9.203 1.00 0.00 C ATOM 972 OD1 ASP A 62 12.588 -4.629 -9.247 1.00 0.00 O ATOM 973 OD2 ASP A 62 11.701 -2.689 -9.886 1.00 0.00 O ATOM 0 H ASP A 62 8.297 -5.865 -7.662 1.00 0.00 H new ATOM 0 HA ASP A 62 11.144 -6.012 -8.163 1.00 0.00 H new ATOM 0 HB2 ASP A 62 9.642 -3.572 -8.683 1.00 0.00 H new ATOM 0 HB3 ASP A 62 10.739 -3.333 -7.337 1.00 0.00 H new ATOM 978 N VAL A 63 11.375 -5.904 -5.671 1.00 0.00 N ATOM 979 CA VAL A 63 11.472 -5.991 -4.224 1.00 0.00 C ATOM 980 C VAL A 63 12.939 -6.164 -3.825 1.00 0.00 C ATOM 981 O VAL A 63 13.512 -7.237 -4.004 1.00 0.00 O ATOM 982 CB VAL A 63 10.575 -7.117 -3.706 1.00 0.00 C ATOM 983 CG1 VAL A 63 10.946 -8.454 -4.350 1.00 0.00 C ATOM 984 CG2 VAL A 63 10.635 -7.207 -2.180 1.00 0.00 C ATOM 0 H VAL A 63 12.195 -6.242 -6.175 1.00 0.00 H new ATOM 0 HA VAL A 63 11.115 -5.071 -3.761 1.00 0.00 H new ATOM 0 HB VAL A 63 9.548 -6.884 -3.987 1.00 0.00 H new ATOM 0 HG11 VAL A 63 10.293 -9.237 -3.964 1.00 0.00 H new ATOM 0 HG12 VAL A 63 10.827 -8.382 -5.431 1.00 0.00 H new ATOM 0 HG13 VAL A 63 11.982 -8.696 -4.114 1.00 0.00 H new ATOM 0 HG21 VAL A 63 9.989 -8.015 -1.837 1.00 0.00 H new ATOM 0 HG22 VAL A 63 11.660 -7.405 -1.867 1.00 0.00 H new ATOM 0 HG23 VAL A 63 10.299 -6.265 -1.746 1.00 0.00 H new ATOM 994 N GLU A 64 13.504 -5.091 -3.291 1.00 0.00 N ATOM 995 CA GLU A 64 14.893 -5.111 -2.865 1.00 0.00 C ATOM 996 C GLU A 64 15.132 -4.053 -1.786 1.00 0.00 C ATOM 997 O GLU A 64 15.201 -2.861 -2.084 1.00 0.00 O ATOM 998 CB GLU A 64 15.834 -4.904 -4.053 1.00 0.00 C ATOM 999 CG GLU A 64 17.296 -5.048 -3.626 1.00 0.00 C ATOM 1000 CD GLU A 64 17.940 -6.273 -4.280 1.00 0.00 C ATOM 1001 OE1 GLU A 64 17.633 -7.392 -3.814 1.00 0.00 O ATOM 1002 OE2 GLU A 64 18.725 -6.063 -5.230 1.00 0.00 O ATOM 0 H GLU A 64 13.025 -4.202 -3.144 1.00 0.00 H new ATOM 0 HA GLU A 64 15.108 -6.091 -2.440 1.00 0.00 H new ATOM 0 HB2 GLU A 64 15.606 -5.630 -4.833 1.00 0.00 H new ATOM 0 HB3 GLU A 64 15.672 -3.915 -4.482 1.00 0.00 H new ATOM 0 HG2 GLU A 64 17.849 -4.151 -3.902 1.00 0.00 H new ATOM 0 HG3 GLU A 64 17.355 -5.137 -2.541 1.00 0.00 H new ATOM 1009 N ARG A 65 15.253 -4.526 -0.554 1.00 0.00 N ATOM 1010 CA ARG A 65 15.484 -3.635 0.571 1.00 0.00 C ATOM 1011 C ARG A 65 14.375 -2.584 0.651 1.00 0.00 C ATOM 1012 O ARG A 65 13.605 -2.415 -0.294 1.00 0.00 O ATOM 1013 CB ARG A 65 16.837 -2.932 0.448 1.00 0.00 C ATOM 1014 CG ARG A 65 17.906 -3.654 1.270 1.00 0.00 C ATOM 1015 CD ARG A 65 18.883 -2.656 1.896 1.00 0.00 C ATOM 1016 NE ARG A 65 20.169 -2.679 1.164 1.00 0.00 N ATOM 1017 CZ ARG A 65 21.292 -2.093 1.600 1.00 0.00 C ATOM 1018 NH1 ARG A 65 21.295 -1.435 2.767 1.00 0.00 N ATOM 1019 NH2 ARG A 65 22.413 -2.166 0.869 1.00 0.00 N ATOM 0 H ARG A 65 15.195 -5.515 -0.310 1.00 0.00 H new ATOM 0 HA ARG A 65 15.483 -4.239 1.479 1.00 0.00 H new ATOM 0 HB2 ARG A 65 17.139 -2.898 -0.599 1.00 0.00 H new ATOM 0 HB3 ARG A 65 16.747 -1.900 0.788 1.00 0.00 H new ATOM 0 HG2 ARG A 65 17.431 -4.244 2.054 1.00 0.00 H new ATOM 0 HG3 ARG A 65 18.451 -4.351 0.633 1.00 0.00 H new ATOM 0 HD2 ARG A 65 18.458 -1.653 1.869 1.00 0.00 H new ATOM 0 HD3 ARG A 65 19.047 -2.904 2.944 1.00 0.00 H new ATOM 0 HE ARG A 65 20.202 -3.172 0.272 1.00 0.00 H new ATOM 0 HH11 ARG A 65 20.442 -1.380 3.324 1.00 0.00 H new ATOM 0 HH12 ARG A 65 22.150 -0.989 3.099 1.00 0.00 H new ATOM 0 HH21 ARG A 65 22.411 -2.668 -0.019 1.00 0.00 H new ATOM 0 HH22 ARG A 65 23.268 -1.720 1.201 1.00 0.00 H new ATOM 1033 N PRO A 66 14.328 -1.886 1.817 1.00 0.00 N ATOM 1034 CA PRO A 66 13.327 -0.855 2.032 1.00 0.00 C ATOM 1035 C PRO A 66 13.667 0.413 1.247 1.00 0.00 C ATOM 1036 O PRO A 66 13.830 1.484 1.830 1.00 0.00 O ATOM 1037 CB PRO A 66 13.307 -0.635 3.536 1.00 0.00 C ATOM 1038 CG PRO A 66 14.614 -1.208 4.059 1.00 0.00 C ATOM 1039 CD PRO A 66 15.224 -2.058 2.957 1.00 0.00 C ATOM 0 HA PRO A 66 12.340 -1.145 1.671 1.00 0.00 H new ATOM 0 HB2 PRO A 66 13.222 0.425 3.774 1.00 0.00 H new ATOM 0 HB3 PRO A 66 12.452 -1.134 3.992 1.00 0.00 H new ATOM 0 HG2 PRO A 66 15.295 -0.406 4.344 1.00 0.00 H new ATOM 0 HG3 PRO A 66 14.438 -1.809 4.951 1.00 0.00 H new ATOM 0 HD2 PRO A 66 16.236 -1.730 2.718 1.00 0.00 H new ATOM 0 HD3 PRO A 66 15.290 -3.105 3.255 1.00 0.00 H new ATOM 1047 N ILE A 67 13.764 0.250 -0.064 1.00 0.00 N ATOM 1048 CA ILE A 67 14.082 1.368 -0.936 1.00 0.00 C ATOM 1049 C ILE A 67 13.124 1.367 -2.130 1.00 0.00 C ATOM 1050 O ILE A 67 12.585 2.410 -2.499 1.00 0.00 O ATOM 1051 CB ILE A 67 15.559 1.336 -1.333 1.00 0.00 C ATOM 1052 CG1 ILE A 67 15.949 -0.038 -1.881 1.00 0.00 C ATOM 1053 CG2 ILE A 67 16.450 1.761 -0.164 1.00 0.00 C ATOM 1054 CD1 ILE A 67 15.619 -0.149 -3.371 1.00 0.00 C ATOM 0 H ILE A 67 13.628 -0.640 -0.544 1.00 0.00 H new ATOM 0 HA ILE A 67 13.938 2.312 -0.411 1.00 0.00 H new ATOM 0 HB ILE A 67 15.714 2.058 -2.135 1.00 0.00 H new ATOM 0 HG12 ILE A 67 17.015 -0.205 -1.728 1.00 0.00 H new ATOM 0 HG13 ILE A 67 15.422 -0.816 -1.329 1.00 0.00 H new ATOM 0 HG21 ILE A 67 17.495 1.730 -0.473 1.00 0.00 H new ATOM 0 HG22 ILE A 67 16.192 2.775 0.140 1.00 0.00 H new ATOM 0 HG23 ILE A 67 16.299 1.081 0.675 1.00 0.00 H new ATOM 0 HD11 ILE A 67 15.906 -1.135 -3.735 1.00 0.00 H new ATOM 0 HD12 ILE A 67 14.549 -0.006 -3.518 1.00 0.00 H new ATOM 0 HD13 ILE A 67 16.167 0.615 -3.923 1.00 0.00 H new ATOM 1066 N LYS A 68 12.942 0.185 -2.700 1.00 0.00 N ATOM 1067 CA LYS A 68 12.059 0.035 -3.844 1.00 0.00 C ATOM 1068 C LYS A 68 11.236 -1.245 -3.683 1.00 0.00 C ATOM 1069 O LYS A 68 11.793 -2.326 -3.499 1.00 0.00 O ATOM 1070 CB LYS A 68 12.858 0.093 -5.148 1.00 0.00 C ATOM 1071 CG LYS A 68 11.931 0.012 -6.363 1.00 0.00 C ATOM 1072 CD LYS A 68 11.736 1.390 -6.997 1.00 0.00 C ATOM 1073 CE LYS A 68 12.117 1.371 -8.478 1.00 0.00 C ATOM 1074 NZ LYS A 68 13.000 2.515 -8.801 1.00 0.00 N ATOM 0 H LYS A 68 13.391 -0.677 -2.391 1.00 0.00 H new ATOM 0 HA LYS A 68 11.353 0.864 -3.892 1.00 0.00 H new ATOM 0 HB2 LYS A 68 13.433 1.018 -5.186 1.00 0.00 H new ATOM 0 HB3 LYS A 68 13.574 -0.728 -5.177 1.00 0.00 H new ATOM 0 HG2 LYS A 68 12.349 -0.675 -7.099 1.00 0.00 H new ATOM 0 HG3 LYS A 68 10.965 -0.393 -6.062 1.00 0.00 H new ATOM 0 HD2 LYS A 68 10.697 1.700 -6.889 1.00 0.00 H new ATOM 0 HD3 LYS A 68 12.344 2.126 -6.471 1.00 0.00 H new ATOM 0 HE2 LYS A 68 12.622 0.435 -8.718 1.00 0.00 H new ATOM 0 HE3 LYS A 68 11.217 1.414 -9.092 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 13.249 2.487 -9.810 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 12.505 3.405 -8.591 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 13.866 2.457 -8.229 1.00 0.00 H new ATOM 1088 N LEU A 69 9.924 -1.080 -3.758 1.00 0.00 N ATOM 1089 CA LEU A 69 9.019 -2.208 -3.623 1.00 0.00 C ATOM 1090 C LEU A 69 7.757 -1.946 -4.448 1.00 0.00 C ATOM 1091 O LEU A 69 7.210 -0.845 -4.419 1.00 0.00 O ATOM 1092 CB LEU A 69 8.739 -2.497 -2.147 1.00 0.00 C ATOM 1093 CG LEU A 69 7.894 -3.738 -1.854 1.00 0.00 C ATOM 1094 CD1 LEU A 69 8.722 -5.015 -2.011 1.00 0.00 C ATOM 1095 CD2 LEU A 69 7.241 -3.644 -0.474 1.00 0.00 C ATOM 0 H LEU A 69 9.466 -0.182 -3.911 1.00 0.00 H new ATOM 0 HA LEU A 69 9.478 -3.113 -4.020 1.00 0.00 H new ATOM 0 HB2 LEU A 69 9.693 -2.602 -1.631 1.00 0.00 H new ATOM 0 HB3 LEU A 69 8.237 -1.630 -1.717 1.00 0.00 H new ATOM 0 HG LEU A 69 7.089 -3.784 -2.588 1.00 0.00 H new ATOM 0 HD11 LEU A 69 8.097 -5.882 -1.797 1.00 0.00 H new ATOM 0 HD12 LEU A 69 9.098 -5.082 -3.032 1.00 0.00 H new ATOM 0 HD13 LEU A 69 9.561 -4.992 -1.316 1.00 0.00 H new ATOM 0 HD21 LEU A 69 6.646 -4.539 -0.291 1.00 0.00 H new ATOM 0 HD22 LEU A 69 8.014 -3.560 0.290 1.00 0.00 H new ATOM 0 HD23 LEU A 69 6.596 -2.766 -0.436 1.00 0.00 H new ATOM 1107 N SER A 70 7.333 -2.977 -5.164 1.00 0.00 N ATOM 1108 CA SER A 70 6.146 -2.872 -5.996 1.00 0.00 C ATOM 1109 C SER A 70 5.495 -4.247 -6.156 1.00 0.00 C ATOM 1110 O SER A 70 6.161 -5.273 -6.018 1.00 0.00 O ATOM 1111 CB SER A 70 6.484 -2.282 -7.367 1.00 0.00 C ATOM 1112 OG SER A 70 5.356 -1.657 -7.972 1.00 0.00 O ATOM 0 H SER A 70 7.790 -3.889 -5.185 1.00 0.00 H new ATOM 0 HA SER A 70 5.443 -2.199 -5.504 1.00 0.00 H new ATOM 0 HB2 SER A 70 7.288 -1.554 -7.260 1.00 0.00 H new ATOM 0 HB3 SER A 70 6.854 -3.072 -8.020 1.00 0.00 H new ATOM 0 HG SER A 70 4.637 -1.571 -7.312 1.00 0.00 H new ATOM 1118 N PHE A 71 4.202 -4.225 -6.444 1.00 0.00 N ATOM 1119 CA PHE A 71 3.455 -5.458 -6.624 1.00 0.00 C ATOM 1120 C PHE A 71 2.205 -5.223 -7.475 1.00 0.00 C ATOM 1121 O PHE A 71 1.547 -4.192 -7.346 1.00 0.00 O ATOM 1122 CB PHE A 71 3.027 -5.929 -5.232 1.00 0.00 C ATOM 1123 CG PHE A 71 1.799 -5.203 -4.680 1.00 0.00 C ATOM 1124 CD1 PHE A 71 0.554 -5.557 -5.099 1.00 0.00 C ATOM 1125 CD2 PHE A 71 1.951 -4.205 -3.769 1.00 0.00 C ATOM 1126 CE1 PHE A 71 -0.586 -4.883 -4.587 1.00 0.00 C ATOM 1127 CE2 PHE A 71 0.811 -3.532 -3.256 1.00 0.00 C ATOM 1128 CZ PHE A 71 -0.433 -3.885 -3.676 1.00 0.00 C ATOM 0 H PHE A 71 3.653 -3.373 -6.557 1.00 0.00 H new ATOM 0 HA PHE A 71 4.075 -6.197 -7.132 1.00 0.00 H new ATOM 0 HB2 PHE A 71 2.818 -6.998 -5.270 1.00 0.00 H new ATOM 0 HB3 PHE A 71 3.859 -5.791 -4.541 1.00 0.00 H new ATOM 0 HD1 PHE A 71 0.433 -6.351 -5.821 1.00 0.00 H new ATOM 0 HD2 PHE A 71 2.939 -3.924 -3.436 1.00 0.00 H new ATOM 0 HE1 PHE A 71 -1.574 -5.163 -4.921 1.00 0.00 H new ATOM 0 HE2 PHE A 71 0.932 -2.740 -2.532 1.00 0.00 H new ATOM 0 HZ PHE A 71 -1.300 -3.373 -3.286 1.00 0.00 H new ATOM 1138 N THR A 72 1.917 -6.196 -8.327 1.00 0.00 N ATOM 1139 CA THR A 72 0.759 -6.107 -9.200 1.00 0.00 C ATOM 1140 C THR A 72 -0.481 -6.665 -8.498 1.00 0.00 C ATOM 1141 O THR A 72 -0.377 -7.566 -7.668 1.00 0.00 O ATOM 1142 CB THR A 72 1.095 -6.830 -10.506 1.00 0.00 C ATOM 1143 OG1 THR A 72 1.414 -8.157 -10.096 1.00 0.00 O ATOM 1144 CG2 THR A 72 2.387 -6.316 -11.144 1.00 0.00 C ATOM 0 H THR A 72 2.465 -7.050 -8.431 1.00 0.00 H new ATOM 0 HA THR A 72 0.521 -5.070 -9.438 1.00 0.00 H new ATOM 0 HB THR A 72 0.271 -6.711 -11.209 1.00 0.00 H new ATOM 0 HG1 THR A 72 2.354 -8.198 -9.823 1.00 0.00 H new ATOM 0 HG21 THR A 72 2.579 -6.862 -12.067 1.00 0.00 H new ATOM 0 HG22 THR A 72 2.286 -5.253 -11.365 1.00 0.00 H new ATOM 0 HG23 THR A 72 3.218 -6.466 -10.454 1.00 0.00 H new ATOM 1152 N TRP A 73 -1.627 -6.106 -8.859 1.00 0.00 N ATOM 1153 CA TRP A 73 -2.886 -6.536 -8.274 1.00 0.00 C ATOM 1154 C TRP A 73 -3.798 -7.007 -9.409 1.00 0.00 C ATOM 1155 O TRP A 73 -4.017 -6.280 -10.377 1.00 0.00 O ATOM 1156 CB TRP A 73 -3.508 -5.421 -7.431 1.00 0.00 C ATOM 1157 CG TRP A 73 -4.505 -5.917 -6.382 1.00 0.00 C ATOM 1158 CD1 TRP A 73 -5.186 -7.071 -6.371 1.00 0.00 C ATOM 1159 CD2 TRP A 73 -4.907 -5.222 -5.182 1.00 0.00 C ATOM 1160 NE1 TRP A 73 -5.994 -7.171 -5.257 1.00 0.00 N ATOM 1161 CE2 TRP A 73 -5.819 -6.011 -4.511 1.00 0.00 C ATOM 1162 CE3 TRP A 73 -4.513 -3.969 -4.681 1.00 0.00 C ATOM 1163 CZ2 TRP A 73 -6.415 -5.634 -3.301 1.00 0.00 C ATOM 1164 CZ3 TRP A 73 -5.117 -3.607 -3.471 1.00 0.00 C ATOM 1165 CH2 TRP A 73 -6.037 -4.390 -2.783 1.00 0.00 C ATOM 0 H TRP A 73 -1.710 -5.359 -9.549 1.00 0.00 H new ATOM 0 HA TRP A 73 -2.728 -7.367 -7.586 1.00 0.00 H new ATOM 0 HB2 TRP A 73 -2.712 -4.871 -6.929 1.00 0.00 H new ATOM 0 HB3 TRP A 73 -4.013 -4.717 -8.093 1.00 0.00 H new ATOM 0 HD1 TRP A 73 -5.112 -7.828 -7.138 1.00 0.00 H new ATOM 0 HE1 TRP A 73 -6.607 -7.952 -5.024 1.00 0.00 H new ATOM 0 HE3 TRP A 73 -3.801 -3.336 -5.189 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 -7.128 -6.269 -2.795 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 -4.850 -2.653 -3.042 1.00 0.00 H new ATOM 0 HH2 TRP A 73 -6.458 -4.040 -1.852 1.00 0.00 H new ATOM 1221 N TRP A 78 -4.524 -2.269 -11.747 1.00 0.00 N ATOM 1222 CA TRP A 78 -3.772 -1.152 -11.202 1.00 0.00 C ATOM 1223 C TRP A 78 -2.497 -1.706 -10.563 1.00 0.00 C ATOM 1224 O TRP A 78 -2.437 -2.883 -10.209 1.00 0.00 O ATOM 1225 CB TRP A 78 -4.626 -0.340 -10.226 1.00 0.00 C ATOM 1226 CG TRP A 78 -6.032 -0.026 -10.741 1.00 0.00 C ATOM 1227 CD1 TRP A 78 -6.430 0.123 -12.012 1.00 0.00 C ATOM 1228 CD2 TRP A 78 -7.216 0.172 -9.941 1.00 0.00 C ATOM 1229 NE1 TRP A 78 -7.780 0.402 -12.089 1.00 0.00 N ATOM 1230 CE2 TRP A 78 -8.273 0.433 -10.790 1.00 0.00 C ATOM 1231 CE3 TRP A 78 -7.389 0.133 -8.546 1.00 0.00 C ATOM 1232 CZ2 TRP A 78 -9.576 0.674 -10.339 1.00 0.00 C ATOM 1233 CZ3 TRP A 78 -8.698 0.376 -8.112 1.00 0.00 C ATOM 1234 CH2 TRP A 78 -9.772 0.640 -8.953 1.00 0.00 C ATOM 0 HA TRP A 78 -3.491 -0.455 -11.992 1.00 0.00 H new ATOM 0 HB2 TRP A 78 -4.708 -0.889 -9.288 1.00 0.00 H new ATOM 0 HB3 TRP A 78 -4.114 0.596 -10.004 1.00 0.00 H new ATOM 0 HD1 TRP A 78 -5.777 0.036 -12.868 1.00 0.00 H new ATOM 0 HE1 TRP A 78 -8.317 0.557 -12.942 1.00 0.00 H new ATOM 0 HE3 TRP A 78 -6.577 -0.068 -7.863 1.00 0.00 H new ATOM 0 HZ2 TRP A 78 -10.387 0.875 -11.023 1.00 0.00 H new ATOM 0 HZ3 TRP A 78 -8.886 0.357 -7.049 1.00 0.00 H new ATOM 0 HH2 TRP A 78 -10.754 0.818 -8.540 1.00 0.00 H new ATOM 1245 N SER A 79 -1.509 -0.832 -10.435 1.00 0.00 N ATOM 1246 CA SER A 79 -0.239 -1.220 -9.844 1.00 0.00 C ATOM 1247 C SER A 79 0.215 -0.160 -8.839 1.00 0.00 C ATOM 1248 O SER A 79 0.220 1.031 -9.146 1.00 0.00 O ATOM 1249 CB SER A 79 0.829 -1.423 -10.921 1.00 0.00 C ATOM 1250 OG SER A 79 0.287 -1.331 -12.235 1.00 0.00 O ATOM 0 H SER A 79 -1.562 0.143 -10.730 1.00 0.00 H new ATOM 0 HA SER A 79 -0.378 -2.168 -9.324 1.00 0.00 H new ATOM 0 HB2 SER A 79 1.613 -0.676 -10.799 1.00 0.00 H new ATOM 0 HB3 SER A 79 1.296 -2.399 -10.789 1.00 0.00 H new ATOM 0 HG SER A 79 1.001 -1.464 -12.893 1.00 0.00 H new ATOM 1256 N VAL A 80 0.586 -0.632 -7.657 1.00 0.00 N ATOM 1257 CA VAL A 80 1.041 0.260 -6.605 1.00 0.00 C ATOM 1258 C VAL A 80 2.524 0.002 -6.329 1.00 0.00 C ATOM 1259 O VAL A 80 2.986 -1.135 -6.414 1.00 0.00 O ATOM 1260 CB VAL A 80 0.164 0.093 -5.362 1.00 0.00 C ATOM 1261 CG1 VAL A 80 0.269 -1.328 -4.804 1.00 0.00 C ATOM 1262 CG2 VAL A 80 0.523 1.129 -4.295 1.00 0.00 C ATOM 0 H VAL A 80 0.580 -1.620 -7.405 1.00 0.00 H new ATOM 0 HA VAL A 80 0.945 1.300 -6.918 1.00 0.00 H new ATOM 0 HB VAL A 80 -0.872 0.261 -5.657 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -0.364 -1.420 -3.921 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -0.058 -2.041 -5.561 1.00 0.00 H new ATOM 0 HG13 VAL A 80 1.304 -1.537 -4.532 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -0.115 0.988 -3.422 1.00 0.00 H new ATOM 0 HG22 VAL A 80 1.567 1.006 -4.005 1.00 0.00 H new ATOM 0 HG23 VAL A 80 0.373 2.131 -4.696 1.00 0.00 H new ATOM 1272 N THR A 81 3.228 1.076 -6.005 1.00 0.00 N ATOM 1273 CA THR A 81 4.649 0.980 -5.716 1.00 0.00 C ATOM 1274 C THR A 81 4.971 1.665 -4.386 1.00 0.00 C ATOM 1275 O THR A 81 4.554 2.798 -4.150 1.00 0.00 O ATOM 1276 CB THR A 81 5.414 1.570 -6.903 1.00 0.00 C ATOM 1277 OG1 THR A 81 4.793 0.981 -8.043 1.00 0.00 O ATOM 1278 CG2 THR A 81 6.861 1.077 -6.971 1.00 0.00 C ATOM 0 H THR A 81 2.841 2.017 -5.936 1.00 0.00 H new ATOM 0 HA THR A 81 4.958 -0.058 -5.594 1.00 0.00 H new ATOM 0 HB THR A 81 5.404 2.658 -6.836 1.00 0.00 H new ATOM 0 HG1 THR A 81 5.196 0.105 -8.219 1.00 0.00 H new ATOM 0 HG21 THR A 81 7.358 1.526 -7.831 1.00 0.00 H new ATOM 0 HG22 THR A 81 7.386 1.362 -6.059 1.00 0.00 H new ATOM 0 HG23 THR A 81 6.871 -0.008 -7.072 1.00 0.00 H new ATOM 1286 N PHE A 82 5.709 0.948 -3.552 1.00 0.00 N ATOM 1287 CA PHE A 82 6.092 1.472 -2.252 1.00 0.00 C ATOM 1288 C PHE A 82 7.544 1.953 -2.260 1.00 0.00 C ATOM 1289 O PHE A 82 8.374 1.420 -2.995 1.00 0.00 O ATOM 1290 CB PHE A 82 5.953 0.325 -1.249 1.00 0.00 C ATOM 1291 CG PHE A 82 4.516 -0.168 -1.062 1.00 0.00 C ATOM 1292 CD1 PHE A 82 3.561 0.680 -0.595 1.00 0.00 C ATOM 1293 CD2 PHE A 82 4.194 -1.455 -1.364 1.00 0.00 C ATOM 1294 CE1 PHE A 82 2.228 0.223 -0.422 1.00 0.00 C ATOM 1295 CE2 PHE A 82 2.861 -1.912 -1.191 1.00 0.00 C ATOM 1296 CZ PHE A 82 1.906 -1.064 -0.724 1.00 0.00 C ATOM 0 H PHE A 82 6.052 0.008 -3.751 1.00 0.00 H new ATOM 0 HA PHE A 82 5.458 2.320 -1.992 1.00 0.00 H new ATOM 0 HB2 PHE A 82 6.572 -0.509 -1.579 1.00 0.00 H new ATOM 0 HB3 PHE A 82 6.343 0.650 -0.285 1.00 0.00 H new ATOM 0 HD1 PHE A 82 3.817 1.702 -0.356 1.00 0.00 H new ATOM 0 HD2 PHE A 82 4.952 -2.129 -1.735 1.00 0.00 H new ATOM 0 HE1 PHE A 82 1.470 0.897 -0.051 1.00 0.00 H new ATOM 0 HE2 PHE A 82 2.605 -2.934 -1.430 1.00 0.00 H new ATOM 0 HZ PHE A 82 0.892 -1.412 -0.593 1.00 0.00 H new ATOM 1306 N HIS A 83 7.806 2.955 -1.434 1.00 0.00 N ATOM 1307 CA HIS A 83 9.144 3.514 -1.337 1.00 0.00 C ATOM 1308 C HIS A 83 9.454 3.852 0.123 1.00 0.00 C ATOM 1309 O HIS A 83 8.831 4.739 0.704 1.00 0.00 O ATOM 1310 CB HIS A 83 9.299 4.717 -2.270 1.00 0.00 C ATOM 1311 CG HIS A 83 9.113 4.388 -3.732 1.00 0.00 C ATOM 1312 ND1 HIS A 83 10.164 4.349 -4.631 1.00 0.00 N ATOM 1313 CD2 HIS A 83 7.988 4.082 -4.440 1.00 0.00 C ATOM 1314 CE1 HIS A 83 9.682 4.034 -5.825 1.00 0.00 C ATOM 1315 NE2 HIS A 83 8.333 3.870 -5.704 1.00 0.00 N ATOM 0 H HIS A 83 7.115 3.394 -0.826 1.00 0.00 H new ATOM 0 HA HIS A 83 9.875 2.776 -1.666 1.00 0.00 H new ATOM 0 HB2 HIS A 83 8.575 5.481 -1.985 1.00 0.00 H new ATOM 0 HB3 HIS A 83 10.290 5.148 -2.128 1.00 0.00 H new ATOM 0 HD2 HIS A 83 6.987 4.022 -4.040 1.00 0.00 H new ATOM 0 HE1 HIS A 83 10.256 3.926 -6.733 1.00 0.00 H new ATOM 0 HE2 HIS A 83 7.694 3.625 -6.461 1.00 0.00 H new ATOM 1323 N LEU A 84 10.417 3.127 0.673 1.00 0.00 N ATOM 1324 CA LEU A 84 10.818 3.339 2.053 1.00 0.00 C ATOM 1325 C LEU A 84 12.187 4.021 2.084 1.00 0.00 C ATOM 1326 O LEU A 84 12.959 3.914 1.132 1.00 0.00 O ATOM 1327 CB LEU A 84 10.768 2.024 2.833 1.00 0.00 C ATOM 1328 CG LEU A 84 9.382 1.568 3.293 1.00 0.00 C ATOM 1329 CD1 LEU A 84 8.821 0.494 2.360 1.00 0.00 C ATOM 1330 CD2 LEU A 84 9.413 1.103 4.750 1.00 0.00 C ATOM 0 H LEU A 84 10.931 2.392 0.188 1.00 0.00 H new ATOM 0 HA LEU A 84 10.118 4.007 2.554 1.00 0.00 H new ATOM 0 HB2 LEU A 84 11.199 1.239 2.211 1.00 0.00 H new ATOM 0 HB3 LEU A 84 11.406 2.121 3.711 1.00 0.00 H new ATOM 0 HG LEU A 84 8.707 2.422 3.243 1.00 0.00 H new ATOM 0 HD11 LEU A 84 7.835 0.187 2.709 1.00 0.00 H new ATOM 0 HD12 LEU A 84 8.739 0.896 1.350 1.00 0.00 H new ATOM 0 HD13 LEU A 84 9.488 -0.368 2.354 1.00 0.00 H new ATOM 0 HD21 LEU A 84 8.415 0.784 5.052 1.00 0.00 H new ATOM 0 HD22 LEU A 84 10.106 0.268 4.851 1.00 0.00 H new ATOM 0 HD23 LEU A 84 9.739 1.925 5.387 1.00 0.00 H new ATOM 1342 N LYS A 85 12.446 4.708 3.187 1.00 0.00 N ATOM 1343 CA LYS A 85 13.708 5.408 3.353 1.00 0.00 C ATOM 1344 C LYS A 85 13.844 5.866 4.807 1.00 0.00 C ATOM 1345 O LYS A 85 12.998 6.603 5.311 1.00 0.00 O ATOM 1346 CB LYS A 85 13.830 6.544 2.336 1.00 0.00 C ATOM 1347 CG LYS A 85 12.781 7.628 2.597 1.00 0.00 C ATOM 1348 CD LYS A 85 12.712 8.615 1.430 1.00 0.00 C ATOM 1349 CE LYS A 85 13.036 10.036 1.895 1.00 0.00 C ATOM 1350 NZ LYS A 85 14.343 10.473 1.355 1.00 0.00 N ATOM 0 H LYS A 85 11.803 4.795 3.974 1.00 0.00 H new ATOM 0 HA LYS A 85 14.544 4.739 3.149 1.00 0.00 H new ATOM 0 HB2 LYS A 85 14.828 6.979 2.389 1.00 0.00 H new ATOM 0 HB3 LYS A 85 13.707 6.149 1.328 1.00 0.00 H new ATOM 0 HG2 LYS A 85 11.805 7.166 2.746 1.00 0.00 H new ATOM 0 HG3 LYS A 85 13.025 8.162 3.516 1.00 0.00 H new ATOM 0 HD2 LYS A 85 13.414 8.314 0.652 1.00 0.00 H new ATOM 0 HD3 LYS A 85 11.716 8.591 0.987 1.00 0.00 H new ATOM 0 HE2 LYS A 85 12.253 10.720 1.567 1.00 0.00 H new ATOM 0 HE3 LYS A 85 13.055 10.073 2.984 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 14.547 11.439 1.680 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 15.089 9.830 1.689 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 14.312 10.457 0.316 1.00 0.00 H new ATOM 1364 N GLU A 86 14.916 5.412 5.439 1.00 0.00 N ATOM 1365 CA GLU A 86 15.174 5.766 6.825 1.00 0.00 C ATOM 1366 C GLU A 86 15.543 7.247 6.934 1.00 0.00 C ATOM 1367 O GLU A 86 16.269 7.774 6.092 1.00 0.00 O ATOM 1368 CB GLU A 86 16.271 4.883 7.422 1.00 0.00 C ATOM 1369 CG GLU A 86 16.145 4.806 8.945 1.00 0.00 C ATOM 1370 CD GLU A 86 17.153 5.734 9.625 1.00 0.00 C ATOM 1371 OE1 GLU A 86 18.225 5.950 9.019 1.00 0.00 O ATOM 1372 OE2 GLU A 86 16.830 6.207 10.737 1.00 0.00 O ATOM 0 H GLU A 86 15.616 4.802 5.017 1.00 0.00 H new ATOM 0 HA GLU A 86 14.263 5.595 7.399 1.00 0.00 H new ATOM 0 HB2 GLU A 86 16.208 3.881 6.997 1.00 0.00 H new ATOM 0 HB3 GLU A 86 17.250 5.282 7.154 1.00 0.00 H new ATOM 0 HG2 GLU A 86 15.133 5.080 9.244 1.00 0.00 H new ATOM 0 HG3 GLU A 86 16.309 3.780 9.276 1.00 0.00 H new ATOM 1379 N GLU A 87 15.025 7.878 7.978 1.00 0.00 N ATOM 1380 CA GLU A 87 15.291 9.287 8.209 1.00 0.00 C ATOM 1381 C GLU A 87 16.126 9.470 9.478 1.00 0.00 C ATOM 1382 O GLU A 87 16.628 8.497 10.040 1.00 0.00 O ATOM 1383 CB GLU A 87 13.988 10.085 8.291 1.00 0.00 C ATOM 1384 CG GLU A 87 14.009 11.270 7.324 1.00 0.00 C ATOM 1385 CD GLU A 87 14.121 12.595 8.083 1.00 0.00 C ATOM 1386 OE1 GLU A 87 14.704 12.568 9.188 1.00 0.00 O ATOM 1387 OE2 GLU A 87 13.621 13.603 7.540 1.00 0.00 O ATOM 0 H GLU A 87 14.422 7.438 8.673 1.00 0.00 H new ATOM 0 HA GLU A 87 15.862 9.671 7.364 1.00 0.00 H new ATOM 0 HB2 GLU A 87 13.144 9.435 8.058 1.00 0.00 H new ATOM 0 HB3 GLU A 87 13.841 10.445 9.309 1.00 0.00 H new ATOM 0 HG2 GLU A 87 14.849 11.168 6.637 1.00 0.00 H new ATOM 0 HG3 GLU A 87 13.101 11.268 6.721 1.00 0.00 H new ATOM 1394 N GLU A 88 16.250 10.722 9.892 1.00 0.00 N ATOM 1395 CA GLU A 88 17.015 11.044 11.084 1.00 0.00 C ATOM 1396 C GLU A 88 16.696 10.052 12.204 1.00 0.00 C ATOM 1397 O GLU A 88 17.490 9.157 12.489 1.00 0.00 O ATOM 1398 CB GLU A 88 16.751 12.483 11.533 1.00 0.00 C ATOM 1399 CG GLU A 88 17.712 13.457 10.849 1.00 0.00 C ATOM 1400 CD GLU A 88 18.611 14.151 11.874 1.00 0.00 C ATOM 1401 OE1 GLU A 88 19.242 13.418 12.665 1.00 0.00 O ATOM 1402 OE2 GLU A 88 18.647 15.400 11.843 1.00 0.00 O ATOM 0 H GLU A 88 15.833 11.526 9.423 1.00 0.00 H new ATOM 0 HA GLU A 88 18.075 10.962 10.845 1.00 0.00 H new ATOM 0 HB2 GLU A 88 15.722 12.757 11.299 1.00 0.00 H new ATOM 0 HB3 GLU A 88 16.863 12.556 12.615 1.00 0.00 H new ATOM 0 HG2 GLU A 88 18.326 12.920 10.126 1.00 0.00 H new ATOM 0 HG3 GLU A 88 17.144 14.203 10.293 1.00 0.00 H new ATOM 1409 N ASN A 89 15.533 10.245 12.808 1.00 0.00 N ATOM 1410 CA ASN A 89 15.099 9.379 13.891 1.00 0.00 C ATOM 1411 C ASN A 89 13.690 8.863 13.592 1.00 0.00 C ATOM 1412 O ASN A 89 12.754 9.134 14.341 1.00 0.00 O ATOM 1413 CB ASN A 89 15.053 10.137 15.219 1.00 0.00 C ATOM 1414 CG ASN A 89 16.296 9.844 16.061 1.00 0.00 C ATOM 1415 OD1 ASN A 89 16.361 8.879 16.804 1.00 0.00 O ATOM 1416 ND2 ASN A 89 17.277 10.730 15.904 1.00 0.00 N ATOM 0 H ASN A 89 14.878 10.989 12.568 1.00 0.00 H new ATOM 0 HA ASN A 89 15.810 8.557 13.970 1.00 0.00 H new ATOM 0 HB2 ASN A 89 14.983 11.208 15.028 1.00 0.00 H new ATOM 0 HB3 ASN A 89 14.159 9.853 15.773 1.00 0.00 H new ATOM 0 HD21 ASN A 89 18.149 10.623 16.423 1.00 0.00 H new ATOM 0 HD22 ASN A 89 17.157 11.516 15.265 1.00 0.00 H new ATOM 1423 N GLY A 90 13.584 8.127 12.495 1.00 0.00 N ATOM 1424 CA GLY A 90 12.306 7.571 12.087 1.00 0.00 C ATOM 1425 C GLY A 90 12.380 7.006 10.667 1.00 0.00 C ATOM 1426 O GLY A 90 13.384 7.183 9.977 1.00 0.00 O ATOM 0 H GLY A 90 14.363 7.903 11.876 1.00 0.00 H new ATOM 0 HA2 GLY A 90 12.010 6.783 12.780 1.00 0.00 H new ATOM 0 HA3 GLY A 90 11.538 8.343 12.135 1.00 0.00 H new ATOM 1430 N THR A 91 11.306 6.339 10.272 1.00 0.00 N ATOM 1431 CA THR A 91 11.237 5.748 8.947 1.00 0.00 C ATOM 1432 C THR A 91 10.253 6.522 8.068 1.00 0.00 C ATOM 1433 O THR A 91 9.243 7.025 8.556 1.00 0.00 O ATOM 1434 CB THR A 91 10.877 4.270 9.107 1.00 0.00 C ATOM 1435 OG1 THR A 91 12.003 3.708 9.774 1.00 0.00 O ATOM 1436 CG2 THR A 91 10.830 3.530 7.768 1.00 0.00 C ATOM 0 H THR A 91 10.476 6.195 10.847 1.00 0.00 H new ATOM 0 HA THR A 91 12.198 5.810 8.436 1.00 0.00 H new ATOM 0 HB THR A 91 9.910 4.184 9.603 1.00 0.00 H new ATOM 0 HG1 THR A 91 11.755 3.472 10.692 1.00 0.00 H new ATOM 0 HG21 THR A 91 10.570 2.485 7.939 1.00 0.00 H new ATOM 0 HG22 THR A 91 10.080 3.990 7.124 1.00 0.00 H new ATOM 0 HG23 THR A 91 11.806 3.587 7.286 1.00 0.00 H new ATOM 1444 N ILE A 92 10.583 6.593 6.787 1.00 0.00 N ATOM 1445 CA ILE A 92 9.740 7.297 5.835 1.00 0.00 C ATOM 1446 C ILE A 92 9.054 6.281 4.919 1.00 0.00 C ATOM 1447 O ILE A 92 9.716 5.440 4.313 1.00 0.00 O ATOM 1448 CB ILE A 92 10.550 8.355 5.083 1.00 0.00 C ATOM 1449 CG1 ILE A 92 11.177 9.358 6.053 1.00 0.00 C ATOM 1450 CG2 ILE A 92 9.695 9.044 4.017 1.00 0.00 C ATOM 1451 CD1 ILE A 92 10.121 10.314 6.611 1.00 0.00 C ATOM 0 H ILE A 92 11.422 6.175 6.386 1.00 0.00 H new ATOM 0 HA ILE A 92 8.951 7.842 6.354 1.00 0.00 H new ATOM 0 HB ILE A 92 11.368 7.855 4.565 1.00 0.00 H new ATOM 0 HG12 ILE A 92 11.659 8.825 6.872 1.00 0.00 H new ATOM 0 HG13 ILE A 92 11.954 9.927 5.542 1.00 0.00 H new ATOM 0 HG21 ILE A 92 10.294 9.791 3.497 1.00 0.00 H new ATOM 0 HG22 ILE A 92 9.339 8.303 3.302 1.00 0.00 H new ATOM 0 HG23 ILE A 92 8.842 9.529 4.492 1.00 0.00 H new ATOM 0 HD11 ILE A 92 10.593 11.017 7.298 1.00 0.00 H new ATOM 0 HD12 ILE A 92 9.658 10.863 5.791 1.00 0.00 H new ATOM 0 HD13 ILE A 92 9.359 9.744 7.142 1.00 0.00 H new ATOM 1463 N PHE A 93 7.736 6.394 4.847 1.00 0.00 N ATOM 1464 CA PHE A 93 6.953 5.496 4.015 1.00 0.00 C ATOM 1465 C PHE A 93 6.247 6.262 2.895 1.00 0.00 C ATOM 1466 O PHE A 93 5.427 7.141 3.159 1.00 0.00 O ATOM 1467 CB PHE A 93 5.899 4.853 4.919 1.00 0.00 C ATOM 1468 CG PHE A 93 5.152 3.686 4.272 1.00 0.00 C ATOM 1469 CD1 PHE A 93 4.286 3.916 3.248 1.00 0.00 C ATOM 1470 CD2 PHE A 93 5.353 2.417 4.719 1.00 0.00 C ATOM 1471 CE1 PHE A 93 3.592 2.833 2.647 1.00 0.00 C ATOM 1472 CE2 PHE A 93 4.659 1.334 4.118 1.00 0.00 C ATOM 1473 CZ PHE A 93 3.794 1.564 3.095 1.00 0.00 C ATOM 0 H PHE A 93 7.191 7.093 5.351 1.00 0.00 H new ATOM 0 HA PHE A 93 7.604 4.752 3.556 1.00 0.00 H new ATOM 0 HB2 PHE A 93 6.383 4.501 5.830 1.00 0.00 H new ATOM 0 HB3 PHE A 93 5.177 5.614 5.215 1.00 0.00 H new ATOM 0 HD1 PHE A 93 4.126 4.923 2.892 1.00 0.00 H new ATOM 0 HD2 PHE A 93 6.041 2.233 5.531 1.00 0.00 H new ATOM 0 HE1 PHE A 93 2.904 3.016 1.835 1.00 0.00 H new ATOM 0 HE2 PHE A 93 4.818 0.327 4.474 1.00 0.00 H new ATOM 0 HZ PHE A 93 3.267 0.740 2.638 1.00 0.00 H new ATOM 1483 N THR A 94 6.591 5.902 1.667 1.00 0.00 N ATOM 1484 CA THR A 94 6.000 6.545 0.505 1.00 0.00 C ATOM 1485 C THR A 94 5.312 5.509 -0.386 1.00 0.00 C ATOM 1486 O THR A 94 5.877 4.452 -0.665 1.00 0.00 O ATOM 1487 CB THR A 94 7.101 7.328 -0.213 1.00 0.00 C ATOM 1488 OG1 THR A 94 7.452 8.357 0.708 1.00 0.00 O ATOM 1489 CG2 THR A 94 6.579 8.084 -1.436 1.00 0.00 C ATOM 0 H THR A 94 7.271 5.173 1.451 1.00 0.00 H new ATOM 0 HA THR A 94 5.219 7.247 0.796 1.00 0.00 H new ATOM 0 HB THR A 94 7.892 6.644 -0.520 1.00 0.00 H new ATOM 0 HG1 THR A 94 8.162 8.912 0.323 1.00 0.00 H new ATOM 0 HG21 THR A 94 7.400 8.623 -1.909 1.00 0.00 H new ATOM 0 HG22 THR A 94 6.153 7.376 -2.147 1.00 0.00 H new ATOM 0 HG23 THR A 94 5.811 8.793 -1.125 1.00 0.00 H new ATOM 1497 N ILE A 95 4.102 5.847 -0.806 1.00 0.00 N ATOM 1498 CA ILE A 95 3.331 4.959 -1.660 1.00 0.00 C ATOM 1499 C ILE A 95 3.029 5.666 -2.983 1.00 0.00 C ATOM 1500 O ILE A 95 2.933 6.891 -3.028 1.00 0.00 O ATOM 1501 CB ILE A 95 2.082 4.463 -0.928 1.00 0.00 C ATOM 1502 CG1 ILE A 95 1.223 3.587 -1.841 1.00 0.00 C ATOM 1503 CG2 ILE A 95 1.289 5.633 -0.343 1.00 0.00 C ATOM 1504 CD1 ILE A 95 0.182 4.426 -2.585 1.00 0.00 C ATOM 0 H ILE A 95 3.636 6.724 -0.571 1.00 0.00 H new ATOM 0 HA ILE A 95 3.907 4.066 -1.900 1.00 0.00 H new ATOM 0 HB ILE A 95 2.400 3.840 -0.092 1.00 0.00 H new ATOM 0 HG12 ILE A 95 1.860 3.070 -2.559 1.00 0.00 H new ATOM 0 HG13 ILE A 95 0.722 2.820 -1.250 1.00 0.00 H new ATOM 0 HG21 ILE A 95 0.406 5.253 0.172 1.00 0.00 H new ATOM 0 HG22 ILE A 95 1.914 6.179 0.363 1.00 0.00 H new ATOM 0 HG23 ILE A 95 0.981 6.301 -1.147 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -0.415 3.779 -3.227 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -0.468 4.922 -1.864 1.00 0.00 H new ATOM 0 HD13 ILE A 95 0.687 5.176 -3.194 1.00 0.00 H new ATOM 1516 N VAL A 96 2.887 4.862 -4.027 1.00 0.00 N ATOM 1517 CA VAL A 96 2.597 5.395 -5.347 1.00 0.00 C ATOM 1518 C VAL A 96 1.621 4.462 -6.066 1.00 0.00 C ATOM 1519 O VAL A 96 1.921 3.288 -6.277 1.00 0.00 O ATOM 1520 CB VAL A 96 3.899 5.611 -6.122 1.00 0.00 C ATOM 1521 CG1 VAL A 96 3.621 6.181 -7.514 1.00 0.00 C ATOM 1522 CG2 VAL A 96 4.858 6.512 -5.341 1.00 0.00 C ATOM 0 H VAL A 96 2.967 3.846 -3.985 1.00 0.00 H new ATOM 0 HA VAL A 96 2.116 6.370 -5.268 1.00 0.00 H new ATOM 0 HB VAL A 96 4.379 4.641 -6.248 1.00 0.00 H new ATOM 0 HG11 VAL A 96 4.563 6.325 -8.043 1.00 0.00 H new ATOM 0 HG12 VAL A 96 2.993 5.487 -8.073 1.00 0.00 H new ATOM 0 HG13 VAL A 96 3.108 7.138 -7.419 1.00 0.00 H new ATOM 0 HG21 VAL A 96 5.775 6.650 -5.913 1.00 0.00 H new ATOM 0 HG22 VAL A 96 4.389 7.481 -5.169 1.00 0.00 H new ATOM 0 HG23 VAL A 96 5.094 6.048 -4.383 1.00 0.00 H new ATOM 1532 N HIS A 97 0.474 5.019 -6.424 1.00 0.00 N ATOM 1533 CA HIS A 97 -0.548 4.251 -7.115 1.00 0.00 C ATOM 1534 C HIS A 97 -0.835 4.888 -8.476 1.00 0.00 C ATOM 1535 O HIS A 97 -0.921 6.109 -8.589 1.00 0.00 O ATOM 1536 CB HIS A 97 -1.802 4.112 -6.249 1.00 0.00 C ATOM 1537 CG HIS A 97 -2.576 2.837 -6.490 1.00 0.00 C ATOM 1538 ND1 HIS A 97 -3.908 2.693 -6.143 1.00 0.00 N ATOM 1539 CD2 HIS A 97 -2.191 1.653 -7.047 1.00 0.00 C ATOM 1540 CE1 HIS A 97 -4.297 1.472 -6.480 1.00 0.00 C ATOM 1541 NE2 HIS A 97 -3.232 0.829 -7.039 1.00 0.00 N ATOM 0 H HIS A 97 0.229 5.994 -6.249 1.00 0.00 H new ATOM 0 HA HIS A 97 -0.188 3.238 -7.295 1.00 0.00 H new ATOM 0 HB2 HIS A 97 -1.513 4.157 -5.199 1.00 0.00 H new ATOM 0 HB3 HIS A 97 -2.457 4.963 -6.436 1.00 0.00 H new ATOM 0 HD2 HIS A 97 -1.207 1.425 -7.429 1.00 0.00 H new ATOM 0 HE1 HIS A 97 -5.284 1.058 -6.337 1.00 0.00 H new ATOM 0 HE2 HIS A 97 -3.235 -0.128 -7.393 1.00 0.00 H new ATOM 1549 N SER A 98 -0.976 4.030 -9.477 1.00 0.00 N ATOM 1550 CA SER A 98 -1.251 4.493 -10.826 1.00 0.00 C ATOM 1551 C SER A 98 -2.103 3.462 -11.569 1.00 0.00 C ATOM 1552 O SER A 98 -2.166 2.301 -11.170 1.00 0.00 O ATOM 1553 CB SER A 98 0.045 4.762 -11.592 1.00 0.00 C ATOM 1554 OG SER A 98 0.853 5.742 -10.947 1.00 0.00 O ATOM 0 H SER A 98 -0.905 3.017 -9.380 1.00 0.00 H new ATOM 0 HA SER A 98 -1.802 5.431 -10.760 1.00 0.00 H new ATOM 0 HB2 SER A 98 0.608 3.834 -11.688 1.00 0.00 H new ATOM 0 HB3 SER A 98 -0.193 5.096 -12.602 1.00 0.00 H new ATOM 0 HG SER A 98 1.672 5.884 -11.466 1.00 0.00 H new ATOM 1889 N MET A 121 -10.836 5.579 -2.692 1.00 0.00 N ATOM 1890 CA MET A 121 -9.704 4.691 -2.490 1.00 0.00 C ATOM 1891 C MET A 121 -8.520 5.442 -1.878 1.00 0.00 C ATOM 1892 O MET A 121 -7.793 4.894 -1.051 1.00 0.00 O ATOM 1893 CB MET A 121 -9.286 4.084 -3.831 1.00 0.00 C ATOM 1894 CG MET A 121 -9.533 2.574 -3.850 1.00 0.00 C ATOM 1895 SD MET A 121 -8.040 1.705 -3.400 1.00 0.00 S ATOM 1896 CE MET A 121 -8.289 0.179 -4.291 1.00 0.00 C ATOM 0 HA MET A 121 -10.004 3.901 -1.801 1.00 0.00 H new ATOM 0 HB2 MET A 121 -9.844 4.558 -4.638 1.00 0.00 H new ATOM 0 HB3 MET A 121 -8.230 4.286 -4.012 1.00 0.00 H new ATOM 0 HG2 MET A 121 -10.335 2.320 -3.157 1.00 0.00 H new ATOM 0 HG3 MET A 121 -9.859 2.263 -4.842 1.00 0.00 H new ATOM 0 HE1 MET A 121 -7.943 -0.657 -3.684 1.00 0.00 H new ATOM 0 HE2 MET A 121 -9.349 0.054 -4.510 1.00 0.00 H new ATOM 0 HE3 MET A 121 -7.727 0.207 -5.224 1.00 0.00 H new ATOM 1906 N ASP A 122 -8.363 6.685 -2.309 1.00 0.00 N ATOM 1907 CA ASP A 122 -7.279 7.517 -1.813 1.00 0.00 C ATOM 1908 C ASP A 122 -7.460 7.742 -0.311 1.00 0.00 C ATOM 1909 O ASP A 122 -6.512 7.602 0.460 1.00 0.00 O ATOM 1910 CB ASP A 122 -7.277 8.885 -2.499 1.00 0.00 C ATOM 1911 CG ASP A 122 -6.314 9.909 -1.896 1.00 0.00 C ATOM 1912 OD1 ASP A 122 -6.375 10.088 -0.661 1.00 0.00 O ATOM 1913 OD2 ASP A 122 -5.537 10.491 -2.685 1.00 0.00 O ATOM 0 H ASP A 122 -8.968 7.136 -2.996 1.00 0.00 H new ATOM 0 HA ASP A 122 -6.339 7.006 -2.023 1.00 0.00 H new ATOM 0 HB2 ASP A 122 -7.025 8.747 -3.551 1.00 0.00 H new ATOM 0 HB3 ASP A 122 -8.287 9.294 -2.464 1.00 0.00 H new ATOM 1918 N ARG A 123 -8.685 8.087 0.060 1.00 0.00 N ATOM 1919 CA ARG A 123 -9.002 8.333 1.456 1.00 0.00 C ATOM 1920 C ARG A 123 -8.542 7.157 2.320 1.00 0.00 C ATOM 1921 O ARG A 123 -7.832 7.348 3.307 1.00 0.00 O ATOM 1922 CB ARG A 123 -10.506 8.541 1.651 1.00 0.00 C ATOM 1923 CG ARG A 123 -10.899 9.992 1.367 1.00 0.00 C ATOM 1924 CD ARG A 123 -12.384 10.224 1.654 1.00 0.00 C ATOM 1925 NE ARG A 123 -12.978 11.070 0.596 1.00 0.00 N ATOM 1926 CZ ARG A 123 -12.821 12.399 0.520 1.00 0.00 C ATOM 1927 NH1 ARG A 123 -12.088 13.041 1.440 1.00 0.00 N ATOM 1928 NH2 ARG A 123 -13.397 13.086 -0.476 1.00 0.00 N ATOM 0 H ARG A 123 -9.469 8.202 -0.582 1.00 0.00 H new ATOM 0 HA ARG A 123 -8.478 9.239 1.760 1.00 0.00 H new ATOM 0 HB2 ARG A 123 -11.058 7.874 0.988 1.00 0.00 H new ATOM 0 HB3 ARG A 123 -10.784 8.278 2.672 1.00 0.00 H new ATOM 0 HG2 ARG A 123 -10.297 10.662 1.981 1.00 0.00 H new ATOM 0 HG3 ARG A 123 -10.684 10.234 0.326 1.00 0.00 H new ATOM 0 HD2 ARG A 123 -12.907 9.269 1.703 1.00 0.00 H new ATOM 0 HD3 ARG A 123 -12.504 10.704 2.625 1.00 0.00 H new ATOM 0 HE ARG A 123 -13.542 10.614 -0.121 1.00 0.00 H new ATOM 0 HH11 ARG A 123 -11.649 12.518 2.198 1.00 0.00 H new ATOM 0 HH12 ARG A 123 -11.969 14.052 1.382 1.00 0.00 H new ATOM 0 HH21 ARG A 123 -13.955 12.598 -1.176 1.00 0.00 H new ATOM 0 HH22 ARG A 123 -13.277 14.097 -0.534 1.00 0.00 H new ATOM 1942 N GLY A 124 -8.963 5.967 1.918 1.00 0.00 N ATOM 1943 CA GLY A 124 -8.603 4.761 2.643 1.00 0.00 C ATOM 1944 C GLY A 124 -7.114 4.448 2.481 1.00 0.00 C ATOM 1945 O GLY A 124 -6.470 3.974 3.416 1.00 0.00 O ATOM 0 H GLY A 124 -9.551 5.812 1.099 1.00 0.00 H new ATOM 0 HA2 GLY A 124 -8.840 4.883 3.700 1.00 0.00 H new ATOM 0 HA3 GLY A 124 -9.196 3.922 2.279 1.00 0.00 H new ATOM 1949 N TRP A 125 -6.609 4.727 1.288 1.00 0.00 N ATOM 1950 CA TRP A 125 -5.208 4.482 0.992 1.00 0.00 C ATOM 1951 C TRP A 125 -4.367 5.271 1.997 1.00 0.00 C ATOM 1952 O TRP A 125 -3.516 4.703 2.681 1.00 0.00 O ATOM 1953 CB TRP A 125 -4.886 4.832 -0.462 1.00 0.00 C ATOM 1954 CG TRP A 125 -4.728 3.614 -1.375 1.00 0.00 C ATOM 1955 CD1 TRP A 125 -5.472 3.278 -2.438 1.00 0.00 C ATOM 1956 CD2 TRP A 125 -3.729 2.579 -1.263 1.00 0.00 C ATOM 1957 NE1 TRP A 125 -5.028 2.106 -3.016 1.00 0.00 N ATOM 1958 CE2 TRP A 125 -3.934 1.667 -2.279 1.00 0.00 C ATOM 1959 CE3 TRP A 125 -2.687 2.417 -0.333 1.00 0.00 C ATOM 1960 CZ2 TRP A 125 -3.137 0.531 -2.462 1.00 0.00 C ATOM 1961 CZ3 TRP A 125 -1.899 1.277 -0.530 1.00 0.00 C ATOM 1962 CH2 TRP A 125 -2.093 0.350 -1.548 1.00 0.00 C ATOM 0 H TRP A 125 -7.146 5.121 0.515 1.00 0.00 H new ATOM 0 HA TRP A 125 -4.971 3.423 1.096 1.00 0.00 H new ATOM 0 HB2 TRP A 125 -5.679 5.468 -0.856 1.00 0.00 H new ATOM 0 HB3 TRP A 125 -3.966 5.416 -0.489 1.00 0.00 H new ATOM 0 HD1 TRP A 125 -6.313 3.852 -2.797 1.00 0.00 H new ATOM 0 HE1 TRP A 125 -5.429 1.646 -3.834 1.00 0.00 H new ATOM 0 HE3 TRP A 125 -2.509 3.117 0.470 1.00 0.00 H new ATOM 0 HZ2 TRP A 125 -3.318 -0.168 -3.265 1.00 0.00 H new ATOM 0 HZ3 TRP A 125 -1.083 1.105 0.157 1.00 0.00 H new ATOM 0 HH2 TRP A 125 -1.440 -0.506 -1.633 1.00 0.00 H new ATOM 1973 N HIS A 126 -4.635 6.567 2.056 1.00 0.00 N ATOM 1974 CA HIS A 126 -3.913 7.440 2.966 1.00 0.00 C ATOM 1975 C HIS A 126 -4.187 7.014 4.410 1.00 0.00 C ATOM 1976 O HIS A 126 -3.257 6.787 5.182 1.00 0.00 O ATOM 1977 CB HIS A 126 -4.261 8.906 2.704 1.00 0.00 C ATOM 1978 CG HIS A 126 -3.140 9.868 3.013 1.00 0.00 C ATOM 1979 ND1 HIS A 126 -3.349 11.220 3.227 1.00 0.00 N ATOM 1980 CD2 HIS A 126 -1.798 9.661 3.141 1.00 0.00 C ATOM 1981 CE1 HIS A 126 -2.178 11.790 3.472 1.00 0.00 C ATOM 1982 NE2 HIS A 126 -1.218 10.823 3.418 1.00 0.00 N ATOM 0 H HIS A 126 -5.342 7.034 1.488 1.00 0.00 H new ATOM 0 HA HIS A 126 -2.841 7.346 2.793 1.00 0.00 H new ATOM 0 HB2 HIS A 126 -4.546 9.020 1.658 1.00 0.00 H new ATOM 0 HB3 HIS A 126 -5.132 9.175 3.302 1.00 0.00 H new ATOM 0 HD2 HIS A 126 -1.293 8.712 3.035 1.00 0.00 H new ATOM 0 HE1 HIS A 126 -2.013 12.837 3.678 1.00 0.00 H new ATOM 0 HE2 HIS A 126 -0.219 10.968 3.566 1.00 0.00 H new ATOM 1990 N ASP A 127 -5.469 6.920 4.732 1.00 0.00 N ATOM 1991 CA ASP A 127 -5.878 6.526 6.070 1.00 0.00 C ATOM 1992 C ASP A 127 -5.184 5.215 6.445 1.00 0.00 C ATOM 1993 O ASP A 127 -4.773 5.031 7.589 1.00 0.00 O ATOM 1994 CB ASP A 127 -7.389 6.298 6.139 1.00 0.00 C ATOM 1995 CG ASP A 127 -8.239 7.567 6.047 1.00 0.00 C ATOM 1996 OD1 ASP A 127 -7.630 8.658 6.035 1.00 0.00 O ATOM 1997 OD2 ASP A 127 -9.479 7.416 5.990 1.00 0.00 O ATOM 0 H ASP A 127 -6.238 7.110 4.090 1.00 0.00 H new ATOM 0 HA ASP A 127 -5.603 7.326 6.757 1.00 0.00 H new ATOM 0 HB2 ASP A 127 -7.677 5.626 5.330 1.00 0.00 H new ATOM 0 HB3 ASP A 127 -7.622 5.789 7.074 1.00 0.00 H new ATOM 2002 N LEU A 128 -5.076 4.336 5.458 1.00 0.00 N ATOM 2003 CA LEU A 128 -4.439 3.048 5.671 1.00 0.00 C ATOM 2004 C LEU A 128 -2.970 3.264 6.038 1.00 0.00 C ATOM 2005 O LEU A 128 -2.494 2.740 7.044 1.00 0.00 O ATOM 2006 CB LEU A 128 -4.642 2.143 4.453 1.00 0.00 C ATOM 2007 CG LEU A 128 -3.988 0.762 4.528 1.00 0.00 C ATOM 2008 CD1 LEU A 128 -4.628 -0.090 5.626 1.00 0.00 C ATOM 2009 CD2 LEU A 128 -4.025 0.064 3.167 1.00 0.00 C ATOM 0 H LEU A 128 -5.419 4.491 4.510 1.00 0.00 H new ATOM 0 HA LEU A 128 -4.903 2.527 6.508 1.00 0.00 H new ATOM 0 HB2 LEU A 128 -5.713 2.008 4.300 1.00 0.00 H new ATOM 0 HB3 LEU A 128 -4.256 2.659 3.574 1.00 0.00 H new ATOM 0 HG LEU A 128 -2.939 0.895 4.794 1.00 0.00 H new ATOM 0 HD11 LEU A 128 -4.144 -1.066 5.657 1.00 0.00 H new ATOM 0 HD12 LEU A 128 -4.507 0.406 6.589 1.00 0.00 H new ATOM 0 HD13 LEU A 128 -5.690 -0.218 5.415 1.00 0.00 H new ATOM 0 HD21 LEU A 128 -3.554 -0.916 3.248 1.00 0.00 H new ATOM 0 HD22 LEU A 128 -5.060 -0.056 2.848 1.00 0.00 H new ATOM 0 HD23 LEU A 128 -3.487 0.666 2.435 1.00 0.00 H new ATOM 2021 N VAL A 129 -2.291 4.036 5.202 1.00 0.00 N ATOM 2022 CA VAL A 129 -0.886 4.328 5.426 1.00 0.00 C ATOM 2023 C VAL A 129 -0.760 5.623 6.231 1.00 0.00 C ATOM 2024 O VAL A 129 0.133 6.431 5.979 1.00 0.00 O ATOM 2025 CB VAL A 129 -0.143 4.381 4.089 1.00 0.00 C ATOM 2026 CG1 VAL A 129 -0.647 5.541 3.227 1.00 0.00 C ATOM 2027 CG2 VAL A 129 1.369 4.475 4.305 1.00 0.00 C ATOM 0 H VAL A 129 -2.689 4.468 4.368 1.00 0.00 H new ATOM 0 HA VAL A 129 -0.420 3.535 6.011 1.00 0.00 H new ATOM 0 HB VAL A 129 -0.348 3.453 3.555 1.00 0.00 H new ATOM 0 HG11 VAL A 129 -0.103 5.556 2.283 1.00 0.00 H new ATOM 0 HG12 VAL A 129 -1.711 5.412 3.030 1.00 0.00 H new ATOM 0 HG13 VAL A 129 -0.486 6.482 3.753 1.00 0.00 H new ATOM 0 HG21 VAL A 129 1.873 4.511 3.339 1.00 0.00 H new ATOM 0 HG22 VAL A 129 1.600 5.378 4.869 1.00 0.00 H new ATOM 0 HG23 VAL A 129 1.712 3.602 4.861 1.00 0.00 H new ATOM 2037 N ASN A 130 -1.667 5.780 7.184 1.00 0.00 N ATOM 2038 CA ASN A 130 -1.669 6.962 8.028 1.00 0.00 C ATOM 2039 C ASN A 130 -1.527 6.539 9.492 1.00 0.00 C ATOM 2040 O ASN A 130 -0.611 6.981 10.183 1.00 0.00 O ATOM 2041 CB ASN A 130 -2.980 7.739 7.885 1.00 0.00 C ATOM 2042 CG ASN A 130 -2.745 9.092 7.213 1.00 0.00 C ATOM 2043 OD1 ASN A 130 -3.009 10.146 7.769 1.00 0.00 O ATOM 2044 ND2 ASN A 130 -2.236 9.006 5.987 1.00 0.00 N ATOM 0 H ASN A 130 -2.406 5.108 7.390 1.00 0.00 H new ATOM 0 HA ASN A 130 -0.838 7.597 7.721 1.00 0.00 H new ATOM 0 HB2 ASN A 130 -3.690 7.156 7.298 1.00 0.00 H new ATOM 0 HB3 ASN A 130 -3.426 7.890 8.868 1.00 0.00 H new ATOM 0 HD21 ASN A 130 -2.044 9.854 5.454 1.00 0.00 H new ATOM 0 HD22 ASN A 130 -2.038 8.092 5.580 1.00 0.00 H new ATOM 2051 N GLU A 131 -2.448 5.688 9.920 1.00 0.00 N ATOM 2052 CA GLU A 131 -2.436 5.200 11.289 1.00 0.00 C ATOM 2053 C GLU A 131 -2.482 3.671 11.308 1.00 0.00 C ATOM 2054 O GLU A 131 -1.750 3.034 12.064 1.00 0.00 O ATOM 2055 CB GLU A 131 -3.596 5.793 12.092 1.00 0.00 C ATOM 2056 CG GLU A 131 -4.941 5.435 11.458 1.00 0.00 C ATOM 2057 CD GLU A 131 -5.515 4.157 12.073 1.00 0.00 C ATOM 2058 OE1 GLU A 131 -4.715 3.407 12.672 1.00 0.00 O ATOM 2059 OE2 GLU A 131 -6.741 3.959 11.930 1.00 0.00 O ATOM 0 H GLU A 131 -3.207 5.324 9.344 1.00 0.00 H new ATOM 0 HA GLU A 131 -1.508 5.522 11.761 1.00 0.00 H new ATOM 0 HB2 GLU A 131 -3.562 5.421 13.116 1.00 0.00 H new ATOM 0 HB3 GLU A 131 -3.491 6.877 12.143 1.00 0.00 H new ATOM 0 HG2 GLU A 131 -5.643 6.257 11.598 1.00 0.00 H new ATOM 0 HG3 GLU A 131 -4.816 5.301 10.383 1.00 0.00 H new ATOM 2066 N ARG A 132 -3.349 3.126 10.467 1.00 0.00 N ATOM 2067 CA ARG A 132 -3.499 1.684 10.378 1.00 0.00 C ATOM 2068 C ARG A 132 -2.132 1.016 10.214 1.00 0.00 C ATOM 2069 O ARG A 132 -1.898 -0.067 10.749 1.00 0.00 O ATOM 2070 CB ARG A 132 -4.393 1.295 9.198 1.00 0.00 C ATOM 2071 CG ARG A 132 -5.776 1.937 9.323 1.00 0.00 C ATOM 2072 CD ARG A 132 -6.784 0.954 9.922 1.00 0.00 C ATOM 2073 NE ARG A 132 -8.025 1.668 10.298 1.00 0.00 N ATOM 2074 CZ ARG A 132 -8.982 1.151 11.080 1.00 0.00 C ATOM 2075 NH1 ARG A 132 -8.847 -0.088 11.573 1.00 0.00 N ATOM 2076 NH2 ARG A 132 -10.074 1.872 11.368 1.00 0.00 N ATOM 0 H ARG A 132 -3.955 3.657 9.841 1.00 0.00 H new ATOM 0 HA ARG A 132 -3.966 1.342 11.302 1.00 0.00 H new ATOM 0 HB2 ARG A 132 -3.926 1.608 8.264 1.00 0.00 H new ATOM 0 HB3 ARG A 132 -4.494 0.211 9.156 1.00 0.00 H new ATOM 0 HG2 ARG A 132 -5.713 2.826 9.950 1.00 0.00 H new ATOM 0 HG3 ARG A 132 -6.120 2.263 8.341 1.00 0.00 H new ATOM 0 HD2 ARG A 132 -7.011 0.168 9.201 1.00 0.00 H new ATOM 0 HD3 ARG A 132 -6.354 0.468 10.798 1.00 0.00 H new ATOM 0 HE ARG A 132 -8.160 2.613 9.939 1.00 0.00 H new ATOM 0 HH11 ARG A 132 -8.016 -0.637 11.353 1.00 0.00 H new ATOM 0 HH12 ARG A 132 -9.575 -0.482 12.168 1.00 0.00 H new ATOM 0 HH21 ARG A 132 -10.177 2.815 10.992 1.00 0.00 H new ATOM 0 HH22 ARG A 132 -10.803 1.478 11.963 1.00 0.00 H new ATOM 2090 N LEU A 133 -1.265 1.691 9.473 1.00 0.00 N ATOM 2091 CA LEU A 133 0.073 1.177 9.233 1.00 0.00 C ATOM 2092 C LEU A 133 0.979 1.554 10.407 1.00 0.00 C ATOM 2093 O LEU A 133 1.716 0.715 10.922 1.00 0.00 O ATOM 2094 CB LEU A 133 0.594 1.653 7.876 1.00 0.00 C ATOM 2095 CG LEU A 133 2.086 1.436 7.616 1.00 0.00 C ATOM 2096 CD1 LEU A 133 2.434 -0.054 7.631 1.00 0.00 C ATOM 2097 CD2 LEU A 133 2.521 2.113 6.315 1.00 0.00 C ATOM 0 H LEU A 133 -1.463 2.589 9.031 1.00 0.00 H new ATOM 0 HA LEU A 133 0.059 0.088 9.179 1.00 0.00 H new ATOM 0 HB2 LEU A 133 0.031 1.143 7.094 1.00 0.00 H new ATOM 0 HB3 LEU A 133 0.380 2.717 7.780 1.00 0.00 H new ATOM 0 HG LEU A 133 2.645 1.906 8.425 1.00 0.00 H new ATOM 0 HD11 LEU A 133 3.500 -0.180 7.444 1.00 0.00 H new ATOM 0 HD12 LEU A 133 2.184 -0.476 8.604 1.00 0.00 H new ATOM 0 HD13 LEU A 133 1.866 -0.568 6.856 1.00 0.00 H new ATOM 0 HD21 LEU A 133 3.586 1.943 6.155 1.00 0.00 H new ATOM 0 HD22 LEU A 133 1.957 1.695 5.481 1.00 0.00 H new ATOM 0 HD23 LEU A 133 2.331 3.184 6.381 1.00 0.00 H new ATOM 2109 N ARG A 134 0.893 2.818 10.796 1.00 0.00 N ATOM 2110 CA ARG A 134 1.696 3.318 11.899 1.00 0.00 C ATOM 2111 C ARG A 134 1.578 2.384 13.106 1.00 0.00 C ATOM 2112 O ARG A 134 2.561 2.139 13.803 1.00 0.00 O ATOM 2113 CB ARG A 134 1.256 4.725 12.307 1.00 0.00 C ATOM 2114 CG ARG A 134 2.222 5.326 13.331 1.00 0.00 C ATOM 2115 CD ARG A 134 1.570 6.489 14.082 1.00 0.00 C ATOM 2116 NE ARG A 134 0.978 6.004 15.349 1.00 0.00 N ATOM 2117 CZ ARG A 134 -0.308 5.658 15.493 1.00 0.00 C ATOM 2118 NH1 ARG A 134 -1.145 5.740 14.449 1.00 0.00 N ATOM 2119 NH2 ARG A 134 -0.758 5.229 16.680 1.00 0.00 N ATOM 0 H ARG A 134 0.279 3.511 10.367 1.00 0.00 H new ATOM 0 HA ARG A 134 2.733 3.357 11.564 1.00 0.00 H new ATOM 0 HB2 ARG A 134 1.210 5.365 11.426 1.00 0.00 H new ATOM 0 HB3 ARG A 134 0.251 4.688 12.728 1.00 0.00 H new ATOM 0 HG2 ARG A 134 2.530 4.558 14.040 1.00 0.00 H new ATOM 0 HG3 ARG A 134 3.123 5.674 12.826 1.00 0.00 H new ATOM 0 HD2 ARG A 134 2.312 7.260 14.289 1.00 0.00 H new ATOM 0 HD3 ARG A 134 0.799 6.946 13.462 1.00 0.00 H new ATOM 0 HE ARG A 134 1.587 5.929 16.163 1.00 0.00 H new ATOM 0 HH11 ARG A 134 -0.803 6.066 13.545 1.00 0.00 H new ATOM 0 HH12 ARG A 134 -2.124 5.477 14.559 1.00 0.00 H new ATOM 0 HH21 ARG A 134 -0.121 5.166 17.474 1.00 0.00 H new ATOM 0 HH22 ARG A 134 -1.737 4.966 16.789 1.00 0.00 H new ATOM 2133 N GLN A 135 0.367 1.889 13.315 1.00 0.00 N ATOM 2134 CA GLN A 135 0.108 0.988 14.425 1.00 0.00 C ATOM 2135 C GLN A 135 0.951 -0.281 14.286 1.00 0.00 C ATOM 2136 O GLN A 135 1.520 -0.763 15.265 1.00 0.00 O ATOM 2137 CB GLN A 135 -1.381 0.650 14.521 1.00 0.00 C ATOM 2138 CG GLN A 135 -1.885 0.799 15.958 1.00 0.00 C ATOM 2139 CD GLN A 135 -3.329 0.309 16.086 1.00 0.00 C ATOM 2140 OE1 GLN A 135 -3.597 -0.848 16.365 1.00 0.00 O ATOM 2141 NE2 GLN A 135 -4.241 1.251 15.866 1.00 0.00 N ATOM 0 H GLN A 135 -0.446 2.095 12.734 1.00 0.00 H new ATOM 0 HA GLN A 135 0.393 1.490 15.350 1.00 0.00 H new ATOM 0 HB2 GLN A 135 -1.950 1.306 13.862 1.00 0.00 H new ATOM 0 HB3 GLN A 135 -1.549 -0.370 14.177 1.00 0.00 H new ATOM 0 HG2 GLN A 135 -1.244 0.232 16.633 1.00 0.00 H new ATOM 0 HG3 GLN A 135 -1.823 1.844 16.262 1.00 0.00 H new ATOM 0 HE21 GLN A 135 -3.948 2.201 15.637 1.00 0.00 H new ATOM 0 HE22 GLN A 135 -5.234 1.024 15.927 1.00 0.00 H new ATOM 2150 N ILE A 136 1.004 -0.787 13.063 1.00 0.00 N ATOM 2151 CA ILE A 136 1.768 -1.991 12.783 1.00 0.00 C ATOM 2152 C ILE A 136 3.143 -1.882 13.444 1.00 0.00 C ATOM 2153 O ILE A 136 3.756 -2.894 13.781 1.00 0.00 O ATOM 2154 CB ILE A 136 1.828 -2.250 11.276 1.00 0.00 C ATOM 2155 CG1 ILE A 136 0.422 -2.356 10.682 1.00 0.00 C ATOM 2156 CG2 ILE A 136 2.677 -3.484 10.965 1.00 0.00 C ATOM 2157 CD1 ILE A 136 -0.425 -3.369 11.454 1.00 0.00 C ATOM 0 H ILE A 136 0.530 -0.385 12.254 1.00 0.00 H new ATOM 0 HA ILE A 136 1.276 -2.863 13.213 1.00 0.00 H new ATOM 0 HB ILE A 136 2.314 -1.398 10.802 1.00 0.00 H new ATOM 0 HG12 ILE A 136 -0.061 -1.379 10.706 1.00 0.00 H new ATOM 0 HG13 ILE A 136 0.487 -2.654 9.635 1.00 0.00 H new ATOM 0 HG21 ILE A 136 2.703 -3.646 9.887 1.00 0.00 H new ATOM 0 HG22 ILE A 136 3.691 -3.330 11.334 1.00 0.00 H new ATOM 0 HG23 ILE A 136 2.242 -4.357 11.452 1.00 0.00 H new ATOM 0 HD11 ILE A 136 -1.419 -3.425 11.011 1.00 0.00 H new ATOM 0 HD12 ILE A 136 0.048 -4.350 11.407 1.00 0.00 H new ATOM 0 HD13 ILE A 136 -0.509 -3.056 12.495 1.00 0.00 H new ATOM 2169 N VAL A 137 3.589 -0.646 13.610 1.00 0.00 N ATOM 2170 CA VAL A 137 4.881 -0.391 14.224 1.00 0.00 C ATOM 2171 C VAL A 137 4.670 0.237 15.603 1.00 0.00 C ATOM 2172 O VAL A 137 5.523 0.116 16.481 1.00 0.00 O ATOM 2173 CB VAL A 137 5.740 0.473 13.298 1.00 0.00 C ATOM 2174 CG1 VAL A 137 5.975 -0.226 11.958 1.00 0.00 C ATOM 2175 CG2 VAL A 137 5.109 1.852 13.094 1.00 0.00 C ATOM 0 H VAL A 137 3.078 0.191 13.330 1.00 0.00 H new ATOM 0 HA VAL A 137 5.425 -1.324 14.371 1.00 0.00 H new ATOM 0 HB VAL A 137 6.709 0.615 13.776 1.00 0.00 H new ATOM 0 HG11 VAL A 137 6.588 0.409 11.319 1.00 0.00 H new ATOM 0 HG12 VAL A 137 6.487 -1.173 12.127 1.00 0.00 H new ATOM 0 HG13 VAL A 137 5.017 -0.413 11.472 1.00 0.00 H new ATOM 0 HG21 VAL A 137 5.739 2.446 12.432 1.00 0.00 H new ATOM 0 HG22 VAL A 137 4.121 1.738 12.648 1.00 0.00 H new ATOM 0 HG23 VAL A 137 5.017 2.356 14.056 1.00 0.00 H new ATOM 2185 N GLU A 138 3.529 0.893 15.751 1.00 0.00 N ATOM 2186 CA GLU A 138 3.195 1.541 17.008 1.00 0.00 C ATOM 2187 C GLU A 138 2.390 0.591 17.897 1.00 0.00 C ATOM 2188 O GLU A 138 1.723 1.027 18.834 1.00 0.00 O ATOM 2189 CB GLU A 138 2.433 2.845 16.768 1.00 0.00 C ATOM 2190 CG GLU A 138 3.378 4.048 16.806 1.00 0.00 C ATOM 2191 CD GLU A 138 3.216 4.831 18.111 1.00 0.00 C ATOM 2192 OE1 GLU A 138 2.102 5.357 18.322 1.00 0.00 O ATOM 2193 OE2 GLU A 138 4.210 4.887 18.866 1.00 0.00 O ATOM 0 H GLU A 138 2.823 0.990 15.021 1.00 0.00 H new ATOM 0 HA GLU A 138 4.123 1.791 17.523 1.00 0.00 H new ATOM 0 HB2 GLU A 138 1.930 2.804 15.802 1.00 0.00 H new ATOM 0 HB3 GLU A 138 1.659 2.962 17.526 1.00 0.00 H new ATOM 0 HG2 GLU A 138 4.409 3.708 16.707 1.00 0.00 H new ATOM 0 HG3 GLU A 138 3.175 4.702 15.958 1.00 0.00 H new