USER MOD reduce.3.24.130724 H: found=0, std=0, add=870, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 866 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 22 ASN : amide:sc= 0.397 K(o=1.1,f=-1.7!) USER MOD Set 1.2: A 100 SER OG : rot -0:sc= 0.717 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 26:sc= 0.118 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0.024 USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 9 ASN : amide:sc= -0.0506 X(o=-0.051,f=-0.069) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 34:sc= 0.279 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 61:sc= 0.215 USER MOD Single : A 33 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 GLN : amide:sc= -0.173 X(o=-0.17,f=-0.006) USER MOD Single : A 41 GLN :FLIP amide:sc= -0.0208 F(o=-1.9,f=-0.021) USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 45 ASN : amide:sc= -0.018 K(o=-0.018,f=-1.5!) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 50 TYR OH : rot 14:sc= 1.11 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 ASN : amide:sc= -0.0179 K(o=-0.018,f=-1.3!) USER MOD Single : A 67 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 76 ASN : amide:sc= 0.103 K(o=0.1,f=-6.7!) USER MOD Single : A 78 GLN :FLIP amide:sc= -1.48 F(o=-2.3,f=-1.5) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 ASN : amide:sc= -0.723 X(o=-0.72,f=-0.31) USER MOD Single : A 85 HIS : no HD1:sc= 0 X(o=0,f=-0.0038) USER MOD Single : A 86 GLN : amide:sc= -0.0305 X(o=-0.03,f=0) USER MOD Single : A 94 ASN : amide:sc= 0 X(o=0,f=-0.072) USER MOD Single : A 97 TYR OH : rot 180:sc= -0.0386 USER MOD Single : A 104 GLN : amide:sc= -2.18 X(o=-2.2,f=-2) USER MOD Single : A 105 HIS : no HE2:sc= -0.85 K(o=-0.85,f=-2.9!) USER MOD Single : A 108 GLN : amide:sc= -0.294 X(o=-0.29,f=0) USER MOD Single : A 110 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 111 ASN : amide:sc= 0.378 K(o=0.38,f=-3.4!) USER MOD Single : A 115 SER OG : rot 180:sc= -0.0125 USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD Single : A 119 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -4.964 16.579 4.896 1.00 0.00 N ATOM 2 CA GLY A 1 -6.328 16.086 4.901 1.00 0.00 C ATOM 3 C GLY A 1 -7.201 16.784 3.877 1.00 0.00 C ATOM 4 O GLY A 1 -7.231 16.396 2.709 1.00 0.00 O ATOM 0 H1 GLY A 1 -4.408 16.070 5.613 1.00 0.00 H new ATOM 0 H2 GLY A 1 -4.543 16.425 3.958 1.00 0.00 H new ATOM 0 H3 GLY A 1 -4.962 17.596 5.114 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -6.324 15.015 4.701 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -6.757 16.223 5.894 1.00 0.00 H new ATOM 8 N SER A 2 -7.915 17.816 4.315 1.00 0.00 N ATOM 9 CA SER A 2 -8.797 18.566 3.429 1.00 0.00 C ATOM 10 C SER A 2 -8.552 20.066 3.562 1.00 0.00 C ATOM 11 O SER A 2 -8.524 20.606 4.667 1.00 0.00 O ATOM 12 CB SER A 2 -10.260 18.247 3.742 1.00 0.00 C ATOM 13 OG SER A 2 -10.574 18.558 5.088 1.00 0.00 O ATOM 0 H SER A 2 -7.900 18.152 5.278 1.00 0.00 H new ATOM 0 HA SER A 2 -8.579 18.269 2.403 1.00 0.00 H new ATOM 0 HB2 SER A 2 -10.910 18.813 3.074 1.00 0.00 H new ATOM 0 HB3 SER A 2 -10.453 17.191 3.555 1.00 0.00 H new ATOM 0 HG SER A 2 -9.967 19.255 5.413 1.00 0.00 H new ATOM 19 N SER A 3 -8.376 20.734 2.426 1.00 0.00 N ATOM 20 CA SER A 3 -8.130 22.171 2.414 1.00 0.00 C ATOM 21 C SER A 3 -9.432 22.946 2.589 1.00 0.00 C ATOM 22 O SER A 3 -9.572 23.745 3.514 1.00 0.00 O ATOM 23 CB SER A 3 -7.450 22.582 1.106 1.00 0.00 C ATOM 24 OG SER A 3 -6.101 22.150 1.075 1.00 0.00 O ATOM 0 H SER A 3 -8.399 20.303 1.502 1.00 0.00 H new ATOM 0 HA SER A 3 -7.471 22.409 3.249 1.00 0.00 H new ATOM 0 HB2 SER A 3 -7.991 22.155 0.261 1.00 0.00 H new ATOM 0 HB3 SER A 3 -7.491 23.666 0.996 1.00 0.00 H new ATOM 0 HG SER A 3 -5.689 22.423 0.229 1.00 0.00 H new ATOM 30 N GLY A 4 -10.383 22.704 1.692 1.00 0.00 N ATOM 31 CA GLY A 4 -11.662 23.387 1.764 1.00 0.00 C ATOM 32 C GLY A 4 -12.469 23.242 0.489 1.00 0.00 C ATOM 33 O GLY A 4 -12.377 24.077 -0.410 1.00 0.00 O ATOM 0 H GLY A 4 -10.291 22.047 0.917 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -12.236 22.989 2.601 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -11.495 24.445 1.966 1.00 0.00 H new ATOM 37 N SER A 5 -13.261 22.178 0.410 1.00 0.00 N ATOM 38 CA SER A 5 -14.084 21.923 -0.766 1.00 0.00 C ATOM 39 C SER A 5 -15.028 23.091 -1.033 1.00 0.00 C ATOM 40 O SER A 5 -15.720 23.563 -0.130 1.00 0.00 O ATOM 41 CB SER A 5 -14.889 20.634 -0.583 1.00 0.00 C ATOM 42 OG SER A 5 -15.752 20.411 -1.684 1.00 0.00 O ATOM 0 H SER A 5 -13.350 21.478 1.147 1.00 0.00 H new ATOM 0 HA SER A 5 -13.421 21.810 -1.624 1.00 0.00 H new ATOM 0 HB2 SER A 5 -14.209 19.789 -0.473 1.00 0.00 H new ATOM 0 HB3 SER A 5 -15.474 20.694 0.335 1.00 0.00 H new ATOM 0 HG SER A 5 -16.254 19.581 -1.544 1.00 0.00 H new ATOM 48 N SER A 6 -15.050 23.553 -2.279 1.00 0.00 N ATOM 49 CA SER A 6 -15.906 24.669 -2.665 1.00 0.00 C ATOM 50 C SER A 6 -17.262 24.170 -3.153 1.00 0.00 C ATOM 51 O SER A 6 -18.285 24.379 -2.501 1.00 0.00 O ATOM 52 CB SER A 6 -15.232 25.501 -3.758 1.00 0.00 C ATOM 53 OG SER A 6 -14.954 24.712 -4.901 1.00 0.00 O ATOM 0 H SER A 6 -14.485 23.172 -3.038 1.00 0.00 H new ATOM 0 HA SER A 6 -16.064 25.295 -1.787 1.00 0.00 H new ATOM 0 HB2 SER A 6 -15.878 26.334 -4.036 1.00 0.00 H new ATOM 0 HB3 SER A 6 -14.306 25.930 -3.374 1.00 0.00 H new ATOM 0 HG SER A 6 -14.525 25.267 -5.585 1.00 0.00 H new ATOM 59 N GLY A 7 -17.263 23.509 -4.307 1.00 0.00 N ATOM 60 CA GLY A 7 -18.498 22.990 -4.864 1.00 0.00 C ATOM 61 C GLY A 7 -18.279 21.743 -5.698 1.00 0.00 C ATOM 62 O GLY A 7 -18.960 21.532 -6.701 1.00 0.00 O ATOM 0 H GLY A 7 -16.430 23.324 -4.866 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -19.192 22.764 -4.054 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -18.966 23.758 -5.480 1.00 0.00 H new ATOM 66 N MET A 8 -17.326 20.915 -5.282 1.00 0.00 N ATOM 67 CA MET A 8 -17.020 19.683 -5.999 1.00 0.00 C ATOM 68 C MET A 8 -17.641 18.478 -5.299 1.00 0.00 C ATOM 69 O MET A 8 -18.173 18.596 -4.196 1.00 0.00 O ATOM 70 CB MET A 8 -15.505 19.497 -6.112 1.00 0.00 C ATOM 71 CG MET A 8 -14.867 20.354 -7.193 1.00 0.00 C ATOM 72 SD MET A 8 -15.572 20.053 -8.825 1.00 0.00 S ATOM 73 CE MET A 8 -14.707 18.558 -9.297 1.00 0.00 C ATOM 0 H MET A 8 -16.753 21.075 -4.453 1.00 0.00 H new ATOM 0 HA MET A 8 -17.446 19.759 -7.000 1.00 0.00 H new ATOM 0 HB2 MET A 8 -15.045 19.735 -5.153 1.00 0.00 H new ATOM 0 HB3 MET A 8 -15.290 18.448 -6.317 1.00 0.00 H new ATOM 0 HG2 MET A 8 -14.990 21.406 -6.937 1.00 0.00 H new ATOM 0 HG3 MET A 8 -13.795 20.157 -7.222 1.00 0.00 H new ATOM 0 HE1 MET A 8 -15.036 18.245 -10.288 1.00 0.00 H new ATOM 0 HE2 MET A 8 -13.634 18.749 -9.314 1.00 0.00 H new ATOM 0 HE3 MET A 8 -14.924 17.769 -8.577 1.00 0.00 H new ATOM 83 N ASN A 9 -17.569 17.320 -5.948 1.00 0.00 N ATOM 84 CA ASN A 9 -18.126 16.094 -5.387 1.00 0.00 C ATOM 85 C ASN A 9 -17.130 14.944 -5.499 1.00 0.00 C ATOM 86 O ASN A 9 -16.575 14.691 -6.567 1.00 0.00 O ATOM 87 CB ASN A 9 -19.428 15.727 -6.102 1.00 0.00 C ATOM 88 CG ASN A 9 -19.247 15.598 -7.602 1.00 0.00 C ATOM 89 OD1 ASN A 9 -18.999 14.508 -8.117 1.00 0.00 O ATOM 90 ND2 ASN A 9 -19.372 16.714 -8.311 1.00 0.00 N ATOM 0 H ASN A 9 -17.131 17.205 -6.862 1.00 0.00 H new ATOM 0 HA ASN A 9 -18.336 16.269 -4.332 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -19.806 14.786 -5.702 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -20.181 16.487 -5.894 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -19.262 16.689 -9.325 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -19.578 17.596 -7.842 1.00 0.00 H new ATOM 97 N GLY A 10 -16.909 14.250 -4.386 1.00 0.00 N ATOM 98 CA GLY A 10 -15.980 13.134 -4.381 1.00 0.00 C ATOM 99 C GLY A 10 -14.806 13.362 -3.449 1.00 0.00 C ATOM 100 O GLY A 10 -13.959 14.218 -3.705 1.00 0.00 O ATOM 0 H GLY A 10 -17.356 14.440 -3.489 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -16.507 12.228 -4.082 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -15.610 12.968 -5.393 1.00 0.00 H new ATOM 104 N ARG A 11 -14.756 12.596 -2.365 1.00 0.00 N ATOM 105 CA ARG A 11 -13.679 12.720 -1.390 1.00 0.00 C ATOM 106 C ARG A 11 -12.577 11.701 -1.665 1.00 0.00 C ATOM 107 O ARG A 11 -12.834 10.622 -2.198 1.00 0.00 O ATOM 108 CB ARG A 11 -14.220 12.532 0.028 1.00 0.00 C ATOM 109 CG ARG A 11 -13.447 13.305 1.083 1.00 0.00 C ATOM 110 CD ARG A 11 -13.508 14.804 0.832 1.00 0.00 C ATOM 111 NE ARG A 11 -13.396 15.571 2.070 1.00 0.00 N ATOM 112 CZ ARG A 11 -14.359 15.639 2.982 1.00 0.00 C ATOM 113 NH1 ARG A 11 -15.499 14.989 2.797 1.00 0.00 N ATOM 114 NH2 ARG A 11 -14.182 16.358 4.083 1.00 0.00 N ATOM 0 H ARG A 11 -15.449 11.882 -2.139 1.00 0.00 H new ATOM 0 HA ARG A 11 -13.256 13.721 -1.479 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -15.264 12.844 0.054 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -14.198 11.471 0.278 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -13.854 13.083 2.069 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -12.407 12.978 1.087 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -12.704 15.091 0.154 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -14.447 15.051 0.336 1.00 0.00 H new ATOM 0 HE ARG A 11 -12.531 16.082 2.244 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -15.639 14.435 1.952 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -16.237 15.043 3.499 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -13.306 16.859 4.229 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -14.922 16.410 4.783 1.00 0.00 H new ATOM 128 N VAL A 12 -11.348 12.052 -1.298 1.00 0.00 N ATOM 129 CA VAL A 12 -10.207 11.168 -1.504 1.00 0.00 C ATOM 130 C VAL A 12 -10.010 10.238 -0.312 1.00 0.00 C ATOM 131 O VAL A 12 -8.932 10.193 0.281 1.00 0.00 O ATOM 132 CB VAL A 12 -8.912 11.969 -1.736 1.00 0.00 C ATOM 133 CG1 VAL A 12 -9.055 12.878 -2.947 1.00 0.00 C ATOM 134 CG2 VAL A 12 -8.553 12.773 -0.496 1.00 0.00 C ATOM 0 H VAL A 12 -11.118 12.942 -0.857 1.00 0.00 H new ATOM 0 HA VAL A 12 -10.422 10.574 -2.392 1.00 0.00 H new ATOM 0 HB VAL A 12 -8.102 11.266 -1.933 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -8.130 13.436 -3.095 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -9.261 12.276 -3.832 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -9.877 13.575 -2.784 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -7.635 13.333 -0.678 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -9.361 13.467 -0.266 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -8.404 12.097 0.346 1.00 0.00 H new ATOM 144 N ASP A 13 -11.057 9.498 0.032 1.00 0.00 N ATOM 145 CA ASP A 13 -10.999 8.566 1.153 1.00 0.00 C ATOM 146 C ASP A 13 -10.962 7.123 0.659 1.00 0.00 C ATOM 147 O ASP A 13 -12.000 6.476 0.523 1.00 0.00 O ATOM 148 CB ASP A 13 -12.201 8.771 2.076 1.00 0.00 C ATOM 149 CG ASP A 13 -12.330 10.205 2.550 1.00 0.00 C ATOM 150 OD1 ASP A 13 -11.526 11.051 2.105 1.00 0.00 O ATOM 151 OD2 ASP A 13 -13.233 10.482 3.367 1.00 0.00 O ATOM 0 H ASP A 13 -11.956 9.525 -0.448 1.00 0.00 H new ATOM 0 HA ASP A 13 -10.084 8.764 1.711 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -13.112 8.482 1.551 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -12.108 8.113 2.940 1.00 0.00 H new ATOM 156 N TYR A 14 -9.759 6.627 0.391 1.00 0.00 N ATOM 157 CA TYR A 14 -9.586 5.262 -0.092 1.00 0.00 C ATOM 158 C TYR A 14 -8.854 4.408 0.939 1.00 0.00 C ATOM 159 O TYR A 14 -7.774 4.771 1.409 1.00 0.00 O ATOM 160 CB TYR A 14 -8.815 5.259 -1.413 1.00 0.00 C ATOM 161 CG TYR A 14 -7.599 6.158 -1.406 1.00 0.00 C ATOM 162 CD1 TYR A 14 -7.733 7.540 -1.468 1.00 0.00 C ATOM 163 CD2 TYR A 14 -6.318 5.626 -1.339 1.00 0.00 C ATOM 164 CE1 TYR A 14 -6.625 8.365 -1.463 1.00 0.00 C ATOM 165 CE2 TYR A 14 -5.204 6.444 -1.332 1.00 0.00 C ATOM 166 CZ TYR A 14 -5.363 7.812 -1.394 1.00 0.00 C ATOM 167 OH TYR A 14 -4.257 8.630 -1.388 1.00 0.00 O ATOM 0 H TYR A 14 -8.890 7.149 0.500 1.00 0.00 H new ATOM 0 HA TYR A 14 -10.575 4.834 -0.256 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -8.502 4.240 -1.639 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -9.483 5.572 -2.215 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -8.720 7.976 -1.521 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -6.190 4.555 -1.292 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -6.746 9.437 -1.513 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -4.215 6.014 -1.278 1.00 0.00 H new ATOM 0 HH TYR A 14 -3.446 8.083 -1.335 1.00 0.00 H new ATOM 177 N LEU A 15 -9.448 3.272 1.286 1.00 0.00 N ATOM 178 CA LEU A 15 -8.853 2.364 2.261 1.00 0.00 C ATOM 179 C LEU A 15 -7.795 1.481 1.608 1.00 0.00 C ATOM 180 O LEU A 15 -7.985 0.984 0.498 1.00 0.00 O ATOM 181 CB LEU A 15 -9.935 1.494 2.903 1.00 0.00 C ATOM 182 CG LEU A 15 -9.490 0.634 4.087 1.00 0.00 C ATOM 183 CD1 LEU A 15 -10.651 0.398 5.041 1.00 0.00 C ATOM 184 CD2 LEU A 15 -8.920 -0.690 3.600 1.00 0.00 C ATOM 0 H LEU A 15 -10.341 2.957 0.907 1.00 0.00 H new ATOM 0 HA LEU A 15 -8.372 2.964 3.034 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -10.745 2.143 3.235 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -10.347 0.837 2.137 1.00 0.00 H new ATOM 0 HG LEU A 15 -8.707 1.168 4.625 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -10.316 -0.216 5.877 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -11.014 1.355 5.416 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -11.456 -0.115 4.515 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -8.609 -1.289 4.456 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -9.682 -1.229 3.038 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -8.060 -0.501 2.957 1.00 0.00 H new ATOM 196 N VAL A 16 -6.680 1.287 2.305 1.00 0.00 N ATOM 197 CA VAL A 16 -5.593 0.460 1.795 1.00 0.00 C ATOM 198 C VAL A 16 -5.636 -0.939 2.399 1.00 0.00 C ATOM 199 O VAL A 16 -6.181 -1.143 3.485 1.00 0.00 O ATOM 200 CB VAL A 16 -4.220 1.093 2.091 1.00 0.00 C ATOM 201 CG1 VAL A 16 -3.977 2.290 1.184 1.00 0.00 C ATOM 202 CG2 VAL A 16 -4.124 1.495 3.555 1.00 0.00 C ATOM 0 H VAL A 16 -6.506 1.692 3.225 1.00 0.00 H new ATOM 0 HA VAL A 16 -5.728 0.391 0.716 1.00 0.00 H new ATOM 0 HB VAL A 16 -3.446 0.352 1.890 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -3.002 2.724 1.408 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -4.001 1.968 0.143 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -4.754 3.036 1.351 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -3.148 1.940 3.747 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -4.905 2.220 3.785 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -4.250 0.613 4.183 1.00 0.00 H new ATOM 212 N THR A 17 -5.058 -1.902 1.689 1.00 0.00 N ATOM 213 CA THR A 17 -5.030 -3.283 2.154 1.00 0.00 C ATOM 214 C THR A 17 -3.637 -3.885 2.008 1.00 0.00 C ATOM 215 O THR A 17 -3.071 -3.903 0.915 1.00 0.00 O ATOM 216 CB THR A 17 -6.038 -4.156 1.382 1.00 0.00 C ATOM 217 OG1 THR A 17 -5.697 -4.184 -0.009 1.00 0.00 O ATOM 218 CG2 THR A 17 -7.454 -3.627 1.552 1.00 0.00 C ATOM 0 H THR A 17 -4.603 -1.751 0.789 1.00 0.00 H new ATOM 0 HA THR A 17 -5.307 -3.267 3.208 1.00 0.00 H new ATOM 0 HB THR A 17 -5.994 -5.167 1.787 1.00 0.00 H new ATOM 0 HG1 THR A 17 -4.723 -4.146 -0.108 1.00 0.00 H new ATOM 0 HG21 THR A 17 -8.148 -4.260 0.998 1.00 0.00 H new ATOM 0 HG22 THR A 17 -7.721 -3.635 2.609 1.00 0.00 H new ATOM 0 HG23 THR A 17 -7.510 -2.607 1.171 1.00 0.00 H new ATOM 226 N GLU A 18 -3.091 -4.377 3.115 1.00 0.00 N ATOM 227 CA GLU A 18 -1.763 -4.980 3.108 1.00 0.00 C ATOM 228 C GLU A 18 -1.840 -6.463 2.757 1.00 0.00 C ATOM 229 O GLU A 18 -2.632 -7.207 3.336 1.00 0.00 O ATOM 230 CB GLU A 18 -1.091 -4.801 4.471 1.00 0.00 C ATOM 231 CG GLU A 18 -0.366 -3.474 4.624 1.00 0.00 C ATOM 232 CD GLU A 18 -0.157 -3.087 6.075 1.00 0.00 C ATOM 233 OE1 GLU A 18 0.868 -3.503 6.657 1.00 0.00 O ATOM 234 OE2 GLU A 18 -1.016 -2.370 6.628 1.00 0.00 O ATOM 0 H GLU A 18 -3.547 -4.370 4.027 1.00 0.00 H new ATOM 0 HA GLU A 18 -1.167 -4.476 2.348 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -1.846 -4.885 5.253 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -0.381 -5.613 4.626 1.00 0.00 H new ATOM 0 HG2 GLU A 18 0.601 -3.533 4.125 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -0.937 -2.693 4.122 1.00 0.00 H new ATOM 241 N GLU A 19 -1.013 -6.884 1.806 1.00 0.00 N ATOM 242 CA GLU A 19 -0.989 -8.277 1.377 1.00 0.00 C ATOM 243 C GLU A 19 0.437 -8.729 1.075 1.00 0.00 C ATOM 244 O GLU A 19 1.240 -7.966 0.541 1.00 0.00 O ATOM 245 CB GLU A 19 -1.869 -8.468 0.139 1.00 0.00 C ATOM 246 CG GLU A 19 -2.093 -9.925 -0.229 1.00 0.00 C ATOM 247 CD GLU A 19 -3.251 -10.547 0.527 1.00 0.00 C ATOM 248 OE1 GLU A 19 -4.409 -10.352 0.105 1.00 0.00 O ATOM 249 OE2 GLU A 19 -2.997 -11.229 1.542 1.00 0.00 O ATOM 0 H GLU A 19 -0.351 -6.281 1.318 1.00 0.00 H new ATOM 0 HA GLU A 19 -1.381 -8.888 2.190 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -2.835 -7.993 0.313 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -1.409 -7.955 -0.706 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -2.281 -10.000 -1.300 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -1.184 -10.491 -0.024 1.00 0.00 H new ATOM 256 N GLU A 20 0.742 -9.975 1.422 1.00 0.00 N ATOM 257 CA GLU A 20 2.071 -10.529 1.190 1.00 0.00 C ATOM 258 C GLU A 20 2.114 -11.309 -0.120 1.00 0.00 C ATOM 259 O GLU A 20 1.329 -12.234 -0.330 1.00 0.00 O ATOM 260 CB GLU A 20 2.480 -11.437 2.352 1.00 0.00 C ATOM 261 CG GLU A 20 3.981 -11.506 2.571 1.00 0.00 C ATOM 262 CD GLU A 20 4.360 -12.389 3.744 1.00 0.00 C ATOM 263 OE1 GLU A 20 3.714 -12.272 4.807 1.00 0.00 O ATOM 264 OE2 GLU A 20 5.301 -13.197 3.600 1.00 0.00 O ATOM 0 H GLU A 20 0.087 -10.620 1.865 1.00 0.00 H new ATOM 0 HA GLU A 20 2.775 -9.700 1.122 1.00 0.00 H new ATOM 0 HB2 GLU A 20 2.004 -11.080 3.266 1.00 0.00 H new ATOM 0 HB3 GLU A 20 2.102 -12.442 2.167 1.00 0.00 H new ATOM 0 HG2 GLU A 20 4.459 -11.884 1.667 1.00 0.00 H new ATOM 0 HG3 GLU A 20 4.366 -10.500 2.739 1.00 0.00 H new ATOM 271 N ILE A 21 3.036 -10.929 -0.998 1.00 0.00 N ATOM 272 CA ILE A 21 3.182 -11.593 -2.288 1.00 0.00 C ATOM 273 C ILE A 21 4.490 -12.375 -2.358 1.00 0.00 C ATOM 274 O ILE A 21 5.574 -11.793 -2.351 1.00 0.00 O ATOM 275 CB ILE A 21 3.138 -10.583 -3.449 1.00 0.00 C ATOM 276 CG1 ILE A 21 1.894 -9.698 -3.337 1.00 0.00 C ATOM 277 CG2 ILE A 21 3.157 -11.311 -4.785 1.00 0.00 C ATOM 278 CD1 ILE A 21 0.656 -10.317 -3.946 1.00 0.00 C ATOM 0 H ILE A 21 3.693 -10.165 -0.840 1.00 0.00 H new ATOM 0 HA ILE A 21 2.343 -12.282 -2.385 1.00 0.00 H new ATOM 0 HB ILE A 21 4.021 -9.946 -3.391 1.00 0.00 H new ATOM 0 HG12 ILE A 21 1.704 -9.484 -2.285 1.00 0.00 H new ATOM 0 HG13 ILE A 21 2.091 -8.744 -3.826 1.00 0.00 H new ATOM 0 HG21 ILE A 21 3.125 -10.584 -5.596 1.00 0.00 H new ATOM 0 HG22 ILE A 21 4.069 -11.903 -4.864 1.00 0.00 H new ATOM 0 HG23 ILE A 21 2.290 -11.969 -4.853 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -0.186 -9.635 -3.830 1.00 0.00 H new ATOM 0 HD12 ILE A 21 0.827 -10.506 -5.006 1.00 0.00 H new ATOM 0 HD13 ILE A 21 0.433 -11.257 -3.441 1.00 0.00 H new ATOM 290 N ASN A 22 4.379 -13.697 -2.429 1.00 0.00 N ATOM 291 CA ASN A 22 5.553 -14.560 -2.503 1.00 0.00 C ATOM 292 C ASN A 22 5.791 -15.033 -3.933 1.00 0.00 C ATOM 293 O ASN A 22 5.073 -15.895 -4.442 1.00 0.00 O ATOM 294 CB ASN A 22 5.385 -15.766 -1.576 1.00 0.00 C ATOM 295 CG ASN A 22 5.793 -15.459 -0.148 1.00 0.00 C ATOM 296 OD1 ASN A 22 6.869 -15.853 0.300 1.00 0.00 O ATOM 297 ND2 ASN A 22 4.931 -14.752 0.574 1.00 0.00 N ATOM 0 H ASN A 22 3.489 -14.195 -2.437 1.00 0.00 H new ATOM 0 HA ASN A 22 6.419 -13.981 -2.182 1.00 0.00 H new ATOM 0 HB2 ASN A 22 4.345 -16.091 -1.592 1.00 0.00 H new ATOM 0 HB3 ASN A 22 5.984 -16.596 -1.952 1.00 0.00 H new ATOM 0 HD21 ASN A 22 5.150 -14.515 1.542 1.00 0.00 H new ATOM 0 HD22 ASN A 22 4.050 -14.446 0.161 1.00 0.00 H new ATOM 304 N LEU A 23 6.805 -14.465 -4.577 1.00 0.00 N ATOM 305 CA LEU A 23 7.139 -14.829 -5.950 1.00 0.00 C ATOM 306 C LEU A 23 8.461 -15.588 -6.005 1.00 0.00 C ATOM 307 O LEU A 23 9.246 -15.560 -5.057 1.00 0.00 O ATOM 308 CB LEU A 23 7.221 -13.577 -6.825 1.00 0.00 C ATOM 309 CG LEU A 23 5.890 -12.893 -7.144 1.00 0.00 C ATOM 310 CD1 LEU A 23 6.118 -11.444 -7.546 1.00 0.00 C ATOM 311 CD2 LEU A 23 5.155 -13.645 -8.244 1.00 0.00 C ATOM 0 H LEU A 23 7.410 -13.751 -4.171 1.00 0.00 H new ATOM 0 HA LEU A 23 6.351 -15.479 -6.329 1.00 0.00 H new ATOM 0 HB2 LEU A 23 7.869 -12.854 -6.330 1.00 0.00 H new ATOM 0 HB3 LEU A 23 7.703 -13.846 -7.765 1.00 0.00 H new ATOM 0 HG LEU A 23 5.271 -12.906 -6.247 1.00 0.00 H new ATOM 0 HD11 LEU A 23 5.161 -10.973 -7.769 1.00 0.00 H new ATOM 0 HD12 LEU A 23 6.602 -10.911 -6.728 1.00 0.00 H new ATOM 0 HD13 LEU A 23 6.755 -11.408 -8.430 1.00 0.00 H new ATOM 0 HD21 LEU A 23 4.211 -13.145 -8.458 1.00 0.00 H new ATOM 0 HD22 LEU A 23 5.768 -13.663 -9.145 1.00 0.00 H new ATOM 0 HD23 LEU A 23 4.959 -14.666 -7.918 1.00 0.00 H new ATOM 323 N THR A 24 8.702 -16.266 -7.123 1.00 0.00 N ATOM 324 CA THR A 24 9.928 -17.032 -7.303 1.00 0.00 C ATOM 325 C THR A 24 10.840 -16.377 -8.335 1.00 0.00 C ATOM 326 O THR A 24 10.387 -15.958 -9.400 1.00 0.00 O ATOM 327 CB THR A 24 9.628 -18.477 -7.744 1.00 0.00 C ATOM 328 OG1 THR A 24 8.616 -19.046 -6.906 1.00 0.00 O ATOM 329 CG2 THR A 24 10.884 -19.334 -7.683 1.00 0.00 C ATOM 0 H THR A 24 8.063 -16.300 -7.918 1.00 0.00 H new ATOM 0 HA THR A 24 10.432 -17.052 -6.337 1.00 0.00 H new ATOM 0 HB THR A 24 9.274 -18.452 -8.775 1.00 0.00 H new ATOM 0 HG1 THR A 24 8.430 -19.964 -7.195 1.00 0.00 H new ATOM 0 HG21 THR A 24 10.647 -20.350 -7.999 1.00 0.00 H new ATOM 0 HG22 THR A 24 11.642 -18.916 -8.345 1.00 0.00 H new ATOM 0 HG23 THR A 24 11.264 -19.351 -6.661 1.00 0.00 H new ATOM 337 N ARG A 25 12.126 -16.292 -8.012 1.00 0.00 N ATOM 338 CA ARG A 25 13.101 -15.687 -8.911 1.00 0.00 C ATOM 339 C ARG A 25 13.224 -16.493 -10.201 1.00 0.00 C ATOM 340 O ARG A 25 13.347 -17.717 -10.171 1.00 0.00 O ATOM 341 CB ARG A 25 14.465 -15.588 -8.227 1.00 0.00 C ATOM 342 CG ARG A 25 15.430 -14.643 -8.924 1.00 0.00 C ATOM 343 CD ARG A 25 16.876 -15.058 -8.702 1.00 0.00 C ATOM 344 NE ARG A 25 17.348 -14.700 -7.367 1.00 0.00 N ATOM 345 CZ ARG A 25 18.628 -14.722 -7.010 1.00 0.00 C ATOM 346 NH1 ARG A 25 19.557 -15.083 -7.884 1.00 0.00 N ATOM 347 NH2 ARG A 25 18.980 -14.383 -5.777 1.00 0.00 N ATOM 0 H ARG A 25 12.517 -16.634 -7.134 1.00 0.00 H new ATOM 0 HA ARG A 25 12.754 -14.684 -9.161 1.00 0.00 H new ATOM 0 HB2 ARG A 25 14.323 -15.255 -7.199 1.00 0.00 H new ATOM 0 HB3 ARG A 25 14.912 -16.581 -8.181 1.00 0.00 H new ATOM 0 HG2 ARG A 25 15.216 -14.626 -9.993 1.00 0.00 H new ATOM 0 HG3 ARG A 25 15.280 -13.629 -8.552 1.00 0.00 H new ATOM 0 HD2 ARG A 25 16.970 -16.135 -8.843 1.00 0.00 H new ATOM 0 HD3 ARG A 25 17.509 -14.582 -9.450 1.00 0.00 H new ATOM 0 HE ARG A 25 16.658 -14.418 -6.671 1.00 0.00 H new ATOM 0 HH11 ARG A 25 19.290 -15.345 -8.833 1.00 0.00 H new ATOM 0 HH12 ARG A 25 20.539 -15.099 -7.607 1.00 0.00 H new ATOM 0 HH21 ARG A 25 18.268 -14.105 -5.102 1.00 0.00 H new ATOM 0 HH22 ARG A 25 19.963 -14.400 -5.504 1.00 0.00 H new ATOM 361 N GLY A 26 13.191 -15.797 -11.334 1.00 0.00 N ATOM 362 CA GLY A 26 13.300 -16.464 -12.618 1.00 0.00 C ATOM 363 C GLY A 26 14.727 -16.516 -13.126 1.00 0.00 C ATOM 364 O GLY A 26 15.685 -16.420 -12.359 1.00 0.00 O ATOM 0 H GLY A 26 13.091 -14.783 -11.385 1.00 0.00 H new ATOM 0 HA2 GLY A 26 12.912 -17.479 -12.531 1.00 0.00 H new ATOM 0 HA3 GLY A 26 12.677 -15.946 -13.347 1.00 0.00 H new ATOM 368 N PRO A 27 14.883 -16.672 -14.449 1.00 0.00 N ATOM 369 CA PRO A 27 16.201 -16.742 -15.087 1.00 0.00 C ATOM 370 C PRO A 27 16.929 -15.402 -15.061 1.00 0.00 C ATOM 371 O PRO A 27 18.143 -15.348 -14.863 1.00 0.00 O ATOM 372 CB PRO A 27 15.876 -17.145 -16.528 1.00 0.00 C ATOM 373 CG PRO A 27 14.482 -16.669 -16.750 1.00 0.00 C ATOM 374 CD PRO A 27 13.786 -16.793 -15.423 1.00 0.00 C ATOM 0 HA PRO A 27 16.866 -17.437 -14.574 1.00 0.00 H new ATOM 0 HB2 PRO A 27 16.568 -16.685 -17.233 1.00 0.00 H new ATOM 0 HB3 PRO A 27 15.952 -18.224 -16.664 1.00 0.00 H new ATOM 0 HG2 PRO A 27 14.473 -15.637 -17.100 1.00 0.00 H new ATOM 0 HG3 PRO A 27 13.982 -17.268 -17.511 1.00 0.00 H new ATOM 0 HD2 PRO A 27 13.039 -16.011 -15.286 1.00 0.00 H new ATOM 0 HD3 PRO A 27 13.268 -17.748 -15.329 1.00 0.00 H new ATOM 382 N SER A 28 16.180 -14.322 -15.261 1.00 0.00 N ATOM 383 CA SER A 28 16.755 -12.983 -15.263 1.00 0.00 C ATOM 384 C SER A 28 15.982 -12.058 -14.327 1.00 0.00 C ATOM 385 O SER A 28 15.273 -11.157 -14.773 1.00 0.00 O ATOM 386 CB SER A 28 16.756 -12.407 -16.681 1.00 0.00 C ATOM 387 OG SER A 28 15.463 -12.469 -17.257 1.00 0.00 O ATOM 0 H SER A 28 15.173 -14.349 -15.424 1.00 0.00 H new ATOM 0 HA SER A 28 17.783 -13.056 -14.907 1.00 0.00 H new ATOM 0 HB2 SER A 28 17.097 -11.372 -16.656 1.00 0.00 H new ATOM 0 HB3 SER A 28 17.461 -12.961 -17.301 1.00 0.00 H new ATOM 0 HG SER A 28 14.840 -11.936 -16.721 1.00 0.00 H new ATOM 393 N GLY A 29 16.125 -12.289 -13.026 1.00 0.00 N ATOM 394 CA GLY A 29 15.435 -11.470 -12.047 1.00 0.00 C ATOM 395 C GLY A 29 13.951 -11.770 -11.982 1.00 0.00 C ATOM 396 O GLY A 29 13.392 -12.374 -12.898 1.00 0.00 O ATOM 0 H GLY A 29 16.706 -13.029 -12.632 1.00 0.00 H new ATOM 0 HA2 GLY A 29 15.879 -11.632 -11.065 1.00 0.00 H new ATOM 0 HA3 GLY A 29 15.579 -10.418 -12.292 1.00 0.00 H new ATOM 400 N LEU A 30 13.311 -11.349 -10.897 1.00 0.00 N ATOM 401 CA LEU A 30 11.881 -11.578 -10.715 1.00 0.00 C ATOM 402 C LEU A 30 11.123 -11.350 -12.019 1.00 0.00 C ATOM 403 O LEU A 30 10.532 -12.274 -12.575 1.00 0.00 O ATOM 404 CB LEU A 30 11.332 -10.656 -9.625 1.00 0.00 C ATOM 405 CG LEU A 30 11.867 -10.894 -8.212 1.00 0.00 C ATOM 406 CD1 LEU A 30 11.659 -9.660 -7.348 1.00 0.00 C ATOM 407 CD2 LEU A 30 11.194 -12.107 -7.585 1.00 0.00 C ATOM 0 H LEU A 30 13.759 -10.847 -10.130 1.00 0.00 H new ATOM 0 HA LEU A 30 11.740 -12.615 -10.411 1.00 0.00 H new ATOM 0 HB2 LEU A 30 11.549 -9.625 -9.905 1.00 0.00 H new ATOM 0 HB3 LEU A 30 10.247 -10.758 -9.603 1.00 0.00 H new ATOM 0 HG LEU A 30 12.937 -11.090 -8.277 1.00 0.00 H new ATOM 0 HD11 LEU A 30 12.046 -9.848 -6.346 1.00 0.00 H new ATOM 0 HD12 LEU A 30 12.187 -8.814 -7.788 1.00 0.00 H new ATOM 0 HD13 LEU A 30 10.595 -9.432 -7.289 1.00 0.00 H new ATOM 0 HD21 LEU A 30 11.586 -12.262 -6.580 1.00 0.00 H new ATOM 0 HD22 LEU A 30 10.118 -11.940 -7.533 1.00 0.00 H new ATOM 0 HD23 LEU A 30 11.395 -12.989 -8.193 1.00 0.00 H new ATOM 419 N GLY A 31 11.148 -10.112 -12.503 1.00 0.00 N ATOM 420 CA GLY A 31 10.461 -9.785 -13.739 1.00 0.00 C ATOM 421 C GLY A 31 9.611 -8.536 -13.618 1.00 0.00 C ATOM 422 O GLY A 31 8.453 -8.521 -14.037 1.00 0.00 O ATOM 0 H GLY A 31 11.632 -9.330 -12.061 1.00 0.00 H new ATOM 0 HA2 GLY A 31 11.195 -9.646 -14.533 1.00 0.00 H new ATOM 0 HA3 GLY A 31 9.829 -10.623 -14.033 1.00 0.00 H new ATOM 426 N PHE A 32 10.185 -7.485 -13.041 1.00 0.00 N ATOM 427 CA PHE A 32 9.471 -6.226 -12.863 1.00 0.00 C ATOM 428 C PHE A 32 10.407 -5.140 -12.340 1.00 0.00 C ATOM 429 O PHE A 32 11.288 -5.405 -11.523 1.00 0.00 O ATOM 430 CB PHE A 32 8.298 -6.413 -11.898 1.00 0.00 C ATOM 431 CG PHE A 32 8.720 -6.803 -10.510 1.00 0.00 C ATOM 432 CD1 PHE A 32 9.177 -5.849 -9.616 1.00 0.00 C ATOM 433 CD2 PHE A 32 8.658 -8.125 -10.100 1.00 0.00 C ATOM 434 CE1 PHE A 32 9.566 -6.206 -8.339 1.00 0.00 C ATOM 435 CE2 PHE A 32 9.045 -8.488 -8.823 1.00 0.00 C ATOM 436 CZ PHE A 32 9.499 -7.527 -7.942 1.00 0.00 C ATOM 0 H PHE A 32 11.142 -7.480 -12.689 1.00 0.00 H new ATOM 0 HA PHE A 32 9.087 -5.913 -13.834 1.00 0.00 H new ATOM 0 HB2 PHE A 32 7.727 -5.486 -11.849 1.00 0.00 H new ATOM 0 HB3 PHE A 32 7.630 -7.178 -12.294 1.00 0.00 H new ATOM 0 HD1 PHE A 32 9.230 -4.814 -9.920 1.00 0.00 H new ATOM 0 HD2 PHE A 32 8.303 -8.881 -10.785 1.00 0.00 H new ATOM 0 HE1 PHE A 32 9.922 -5.453 -7.652 1.00 0.00 H new ATOM 0 HE2 PHE A 32 8.992 -9.522 -8.515 1.00 0.00 H new ATOM 0 HZ PHE A 32 9.801 -7.808 -6.944 1.00 0.00 H new ATOM 446 N ASN A 33 10.208 -3.916 -12.817 1.00 0.00 N ATOM 447 CA ASN A 33 11.034 -2.789 -12.400 1.00 0.00 C ATOM 448 C ASN A 33 10.420 -2.081 -11.195 1.00 0.00 C ATOM 449 O ASN A 33 9.199 -1.955 -11.093 1.00 0.00 O ATOM 450 CB ASN A 33 11.204 -1.799 -13.554 1.00 0.00 C ATOM 451 CG ASN A 33 12.331 -2.193 -14.491 1.00 0.00 C ATOM 452 OD1 ASN A 33 13.495 -1.875 -14.247 1.00 0.00 O ATOM 453 ND2 ASN A 33 11.987 -2.887 -15.569 1.00 0.00 N ATOM 0 H ASN A 33 9.482 -3.679 -13.493 1.00 0.00 H new ATOM 0 HA ASN A 33 12.012 -3.175 -12.114 1.00 0.00 H new ATOM 0 HB2 ASN A 33 10.272 -1.737 -14.116 1.00 0.00 H new ATOM 0 HB3 ASN A 33 11.400 -0.805 -13.151 1.00 0.00 H new ATOM 0 HD21 ASN A 33 12.701 -3.179 -16.236 1.00 0.00 H new ATOM 0 HD22 ASN A 33 11.009 -3.128 -15.730 1.00 0.00 H new ATOM 460 N ILE A 34 11.274 -1.621 -10.288 1.00 0.00 N ATOM 461 CA ILE A 34 10.816 -0.925 -9.092 1.00 0.00 C ATOM 462 C ILE A 34 11.402 0.481 -9.016 1.00 0.00 C ATOM 463 O ILE A 34 12.407 0.782 -9.659 1.00 0.00 O ATOM 464 CB ILE A 34 11.192 -1.696 -7.813 1.00 0.00 C ATOM 465 CG1 ILE A 34 12.680 -2.050 -7.824 1.00 0.00 C ATOM 466 CG2 ILE A 34 10.344 -2.952 -7.683 1.00 0.00 C ATOM 467 CD1 ILE A 34 13.220 -2.434 -6.464 1.00 0.00 C ATOM 0 H ILE A 34 12.287 -1.718 -10.358 1.00 0.00 H new ATOM 0 HA ILE A 34 9.730 -0.860 -9.161 1.00 0.00 H new ATOM 0 HB ILE A 34 10.996 -1.058 -6.951 1.00 0.00 H new ATOM 0 HG12 ILE A 34 12.844 -2.875 -8.517 1.00 0.00 H new ATOM 0 HG13 ILE A 34 13.245 -1.198 -8.203 1.00 0.00 H new ATOM 0 HG21 ILE A 34 10.622 -3.486 -6.774 1.00 0.00 H new ATOM 0 HG22 ILE A 34 9.291 -2.676 -7.634 1.00 0.00 H new ATOM 0 HG23 ILE A 34 10.511 -3.595 -8.547 1.00 0.00 H new ATOM 0 HD11 ILE A 34 14.280 -2.672 -6.548 1.00 0.00 H new ATOM 0 HD12 ILE A 34 13.088 -1.602 -5.772 1.00 0.00 H new ATOM 0 HD13 ILE A 34 12.681 -3.305 -6.091 1.00 0.00 H new ATOM 479 N VAL A 35 10.766 1.339 -8.224 1.00 0.00 N ATOM 480 CA VAL A 35 11.226 2.713 -8.060 1.00 0.00 C ATOM 481 C VAL A 35 11.347 3.080 -6.586 1.00 0.00 C ATOM 482 O VAL A 35 10.370 3.029 -5.840 1.00 0.00 O ATOM 483 CB VAL A 35 10.274 3.709 -8.749 1.00 0.00 C ATOM 484 CG1 VAL A 35 10.421 3.629 -10.261 1.00 0.00 C ATOM 485 CG2 VAL A 35 8.835 3.447 -8.330 1.00 0.00 C ATOM 0 H VAL A 35 9.931 1.107 -7.686 1.00 0.00 H new ATOM 0 HA VAL A 35 12.208 2.776 -8.529 1.00 0.00 H new ATOM 0 HB VAL A 35 10.542 4.718 -8.435 1.00 0.00 H new ATOM 0 HG11 VAL A 35 9.741 4.340 -10.731 1.00 0.00 H new ATOM 0 HG12 VAL A 35 11.447 3.870 -10.540 1.00 0.00 H new ATOM 0 HG13 VAL A 35 10.181 2.620 -10.597 1.00 0.00 H new ATOM 0 HG21 VAL A 35 8.176 4.160 -8.826 1.00 0.00 H new ATOM 0 HG22 VAL A 35 8.552 2.433 -8.614 1.00 0.00 H new ATOM 0 HG23 VAL A 35 8.744 3.560 -7.250 1.00 0.00 H new ATOM 495 N GLY A 36 12.555 3.451 -6.171 1.00 0.00 N ATOM 496 CA GLY A 36 12.783 3.822 -4.787 1.00 0.00 C ATOM 497 C GLY A 36 14.159 4.417 -4.565 1.00 0.00 C ATOM 498 O GLY A 36 14.957 4.519 -5.495 1.00 0.00 O ATOM 0 H GLY A 36 13.380 3.501 -6.769 1.00 0.00 H new ATOM 0 HA2 GLY A 36 12.025 4.542 -4.478 1.00 0.00 H new ATOM 0 HA3 GLY A 36 12.665 2.942 -4.154 1.00 0.00 H new ATOM 502 N GLY A 37 14.438 4.814 -3.327 1.00 0.00 N ATOM 503 CA GLY A 37 15.727 5.400 -3.008 1.00 0.00 C ATOM 504 C GLY A 37 15.624 6.870 -2.652 1.00 0.00 C ATOM 505 O GLY A 37 15.143 7.677 -3.448 1.00 0.00 O ATOM 0 H GLY A 37 13.794 4.740 -2.539 1.00 0.00 H new ATOM 0 HA2 GLY A 37 16.173 4.858 -2.174 1.00 0.00 H new ATOM 0 HA3 GLY A 37 16.397 5.282 -3.860 1.00 0.00 H new ATOM 509 N THR A 38 16.076 7.219 -1.452 1.00 0.00 N ATOM 510 CA THR A 38 16.031 8.601 -0.991 1.00 0.00 C ATOM 511 C THR A 38 16.543 9.556 -2.063 1.00 0.00 C ATOM 512 O THR A 38 16.166 10.727 -2.097 1.00 0.00 O ATOM 513 CB THR A 38 16.862 8.794 0.291 1.00 0.00 C ATOM 514 OG1 THR A 38 18.169 8.237 0.116 1.00 0.00 O ATOM 515 CG2 THR A 38 16.181 8.136 1.482 1.00 0.00 C ATOM 0 H THR A 38 16.478 6.564 -0.782 1.00 0.00 H new ATOM 0 HA THR A 38 14.987 8.827 -0.775 1.00 0.00 H new ATOM 0 HB THR A 38 16.946 9.863 0.485 1.00 0.00 H new ATOM 0 HG1 THR A 38 18.692 8.365 0.935 1.00 0.00 H new ATOM 0 HG21 THR A 38 16.787 8.286 2.376 1.00 0.00 H new ATOM 0 HG22 THR A 38 15.198 8.582 1.631 1.00 0.00 H new ATOM 0 HG23 THR A 38 16.070 7.068 1.293 1.00 0.00 H new ATOM 523 N ASP A 39 17.404 9.048 -2.939 1.00 0.00 N ATOM 524 CA ASP A 39 17.967 9.855 -4.014 1.00 0.00 C ATOM 525 C ASP A 39 17.106 9.764 -5.270 1.00 0.00 C ATOM 526 O ASP A 39 16.938 10.747 -5.991 1.00 0.00 O ATOM 527 CB ASP A 39 19.395 9.404 -4.325 1.00 0.00 C ATOM 528 CG ASP A 39 19.770 9.631 -5.777 1.00 0.00 C ATOM 529 OD1 ASP A 39 20.146 10.771 -6.121 1.00 0.00 O ATOM 530 OD2 ASP A 39 19.688 8.668 -6.568 1.00 0.00 O ATOM 0 H ASP A 39 17.727 8.081 -2.925 1.00 0.00 H new ATOM 0 HA ASP A 39 17.987 10.894 -3.684 1.00 0.00 H new ATOM 0 HB2 ASP A 39 20.091 9.944 -3.684 1.00 0.00 H new ATOM 0 HB3 ASP A 39 19.499 8.345 -4.087 1.00 0.00 H new ATOM 535 N GLN A 40 16.566 8.577 -5.526 1.00 0.00 N ATOM 536 CA GLN A 40 15.725 8.357 -6.697 1.00 0.00 C ATOM 537 C GLN A 40 14.248 8.359 -6.314 1.00 0.00 C ATOM 538 O GLN A 40 13.408 7.836 -7.045 1.00 0.00 O ATOM 539 CB GLN A 40 16.087 7.032 -7.370 1.00 0.00 C ATOM 540 CG GLN A 40 17.229 7.148 -8.366 1.00 0.00 C ATOM 541 CD GLN A 40 16.753 7.500 -9.762 1.00 0.00 C ATOM 542 OE1 GLN A 40 17.156 8.515 -10.330 1.00 0.00 O ATOM 543 NE2 GLN A 40 15.890 6.660 -10.322 1.00 0.00 N ATOM 0 H GLN A 40 16.696 7.753 -4.939 1.00 0.00 H new ATOM 0 HA GLN A 40 15.902 9.173 -7.398 1.00 0.00 H new ATOM 0 HB2 GLN A 40 16.357 6.306 -6.603 1.00 0.00 H new ATOM 0 HB3 GLN A 40 15.207 6.642 -7.882 1.00 0.00 H new ATOM 0 HG2 GLN A 40 17.930 7.909 -8.023 1.00 0.00 H new ATOM 0 HG3 GLN A 40 17.774 6.205 -8.399 1.00 0.00 H new ATOM 0 HE21 GLN A 40 15.583 5.830 -9.814 1.00 0.00 H new ATOM 0 HE22 GLN A 40 15.534 6.844 -11.260 1.00 0.00 H new ATOM 552 N GLN A 41 13.941 8.951 -5.164 1.00 0.00 N ATOM 553 CA GLN A 41 12.566 9.020 -4.684 1.00 0.00 C ATOM 554 C GLN A 41 11.597 9.250 -5.840 1.00 0.00 C ATOM 555 O GLN A 41 11.535 10.343 -6.403 1.00 0.00 O ATOM 556 CB GLN A 41 12.419 10.138 -3.651 1.00 0.00 C ATOM 557 CG GLN A 41 13.156 9.864 -2.350 1.00 0.00 C ATOM 558 CD GLN A 41 12.981 10.977 -1.335 1.00 0.00 C ATOM 559 OE1 GLN A 41 11.747 11.439 -1.169 1.00 0.00 O flip ATOM 560 NE2 GLN A 41 13.944 11.416 -0.706 1.00 0.00 N flip ATOM 0 H GLN A 41 14.626 9.389 -4.548 1.00 0.00 H new ATOM 0 HA GLN A 41 12.324 8.067 -4.214 1.00 0.00 H new ATOM 0 HB2 GLN A 41 12.790 11.069 -4.080 1.00 0.00 H new ATOM 0 HB3 GLN A 41 11.361 10.286 -3.435 1.00 0.00 H new ATOM 0 HG2 GLN A 41 12.796 8.928 -1.923 1.00 0.00 H new ATOM 0 HG3 GLN A 41 14.218 9.732 -2.559 1.00 0.00 H new ATOM 0 HE21 GLN A 41 14.875 11.032 -0.865 1.00 0.00 H new ATOM 0 HE22 GLN A 41 13.811 12.164 -0.026 1.00 0.00 H new ATOM 569 N TYR A 42 10.843 8.213 -6.188 1.00 0.00 N ATOM 570 CA TYR A 42 9.880 8.301 -7.278 1.00 0.00 C ATOM 571 C TYR A 42 9.221 9.676 -7.314 1.00 0.00 C ATOM 572 O TYR A 42 8.990 10.240 -8.385 1.00 0.00 O ATOM 573 CB TYR A 42 8.811 7.216 -7.131 1.00 0.00 C ATOM 574 CG TYR A 42 7.945 7.049 -8.359 1.00 0.00 C ATOM 575 CD1 TYR A 42 8.476 6.568 -9.549 1.00 0.00 C ATOM 576 CD2 TYR A 42 6.594 7.372 -8.328 1.00 0.00 C ATOM 577 CE1 TYR A 42 7.688 6.415 -10.673 1.00 0.00 C ATOM 578 CE2 TYR A 42 5.797 7.221 -9.447 1.00 0.00 C ATOM 579 CZ TYR A 42 6.349 6.742 -10.617 1.00 0.00 C ATOM 580 OH TYR A 42 5.560 6.590 -11.734 1.00 0.00 O ATOM 0 H TYR A 42 10.881 7.302 -5.731 1.00 0.00 H new ATOM 0 HA TYR A 42 10.416 8.150 -8.215 1.00 0.00 H new ATOM 0 HB2 TYR A 42 9.297 6.266 -6.908 1.00 0.00 H new ATOM 0 HB3 TYR A 42 8.176 7.457 -6.279 1.00 0.00 H new ATOM 0 HD1 TYR A 42 9.523 6.309 -9.596 1.00 0.00 H new ATOM 0 HD2 TYR A 42 6.159 7.748 -7.414 1.00 0.00 H new ATOM 0 HE1 TYR A 42 8.118 6.041 -11.591 1.00 0.00 H new ATOM 0 HE2 TYR A 42 4.748 7.476 -9.406 1.00 0.00 H new ATOM 0 HH TYR A 42 4.642 6.864 -11.526 1.00 0.00 H new ATOM 590 N VAL A 43 8.922 10.213 -6.136 1.00 0.00 N ATOM 591 CA VAL A 43 8.292 11.524 -6.030 1.00 0.00 C ATOM 592 C VAL A 43 8.789 12.275 -4.800 1.00 0.00 C ATOM 593 O VAL A 43 9.242 11.667 -3.830 1.00 0.00 O ATOM 594 CB VAL A 43 6.758 11.405 -5.961 1.00 0.00 C ATOM 595 CG1 VAL A 43 6.109 12.773 -6.111 1.00 0.00 C ATOM 596 CG2 VAL A 43 6.250 10.446 -7.027 1.00 0.00 C ATOM 0 H VAL A 43 9.106 9.760 -5.241 1.00 0.00 H new ATOM 0 HA VAL A 43 8.566 12.080 -6.926 1.00 0.00 H new ATOM 0 HB VAL A 43 6.486 11.005 -4.984 1.00 0.00 H new ATOM 0 HG11 VAL A 43 5.025 12.669 -6.060 1.00 0.00 H new ATOM 0 HG12 VAL A 43 6.449 13.427 -5.308 1.00 0.00 H new ATOM 0 HG13 VAL A 43 6.387 13.204 -7.073 1.00 0.00 H new ATOM 0 HG21 VAL A 43 5.164 10.374 -6.964 1.00 0.00 H new ATOM 0 HG22 VAL A 43 6.532 10.815 -8.013 1.00 0.00 H new ATOM 0 HG23 VAL A 43 6.689 9.461 -6.869 1.00 0.00 H new ATOM 606 N SER A 44 8.699 13.600 -4.846 1.00 0.00 N ATOM 607 CA SER A 44 9.142 14.435 -3.736 1.00 0.00 C ATOM 608 C SER A 44 8.510 13.977 -2.425 1.00 0.00 C ATOM 609 O SER A 44 9.134 14.041 -1.367 1.00 0.00 O ATOM 610 CB SER A 44 8.790 15.900 -4.000 1.00 0.00 C ATOM 611 OG SER A 44 9.571 16.430 -5.057 1.00 0.00 O ATOM 0 H SER A 44 8.323 14.118 -5.640 1.00 0.00 H new ATOM 0 HA SER A 44 10.224 14.338 -3.651 1.00 0.00 H new ATOM 0 HB2 SER A 44 7.732 15.984 -4.248 1.00 0.00 H new ATOM 0 HB3 SER A 44 8.953 16.485 -3.095 1.00 0.00 H new ATOM 0 HG SER A 44 9.326 17.367 -5.207 1.00 0.00 H new ATOM 617 N ASN A 45 7.267 13.514 -2.505 1.00 0.00 N ATOM 618 CA ASN A 45 6.549 13.045 -1.325 1.00 0.00 C ATOM 619 C ASN A 45 6.514 11.521 -1.280 1.00 0.00 C ATOM 620 O ASN A 45 5.903 10.930 -0.389 1.00 0.00 O ATOM 621 CB ASN A 45 5.123 13.600 -1.317 1.00 0.00 C ATOM 622 CG ASN A 45 5.079 15.076 -0.974 1.00 0.00 C ATOM 623 OD1 ASN A 45 6.026 15.622 -0.408 1.00 0.00 O ATOM 624 ND2 ASN A 45 3.975 15.730 -1.316 1.00 0.00 N ATOM 0 H ASN A 45 6.736 13.453 -3.374 1.00 0.00 H new ATOM 0 HA ASN A 45 7.077 13.405 -0.442 1.00 0.00 H new ATOM 0 HB2 ASN A 45 4.670 13.444 -2.296 1.00 0.00 H new ATOM 0 HB3 ASN A 45 4.524 13.044 -0.596 1.00 0.00 H new ATOM 0 HD21 ASN A 45 3.888 16.725 -1.111 1.00 0.00 H new ATOM 0 HD22 ASN A 45 3.214 15.237 -1.784 1.00 0.00 H new ATOM 631 N ASP A 46 7.173 10.891 -2.246 1.00 0.00 N ATOM 632 CA ASP A 46 7.219 9.435 -2.317 1.00 0.00 C ATOM 633 C ASP A 46 8.660 8.941 -2.403 1.00 0.00 C ATOM 634 O ASP A 46 9.394 9.297 -3.324 1.00 0.00 O ATOM 635 CB ASP A 46 6.422 8.936 -3.523 1.00 0.00 C ATOM 636 CG ASP A 46 5.887 7.531 -3.322 1.00 0.00 C ATOM 637 OD1 ASP A 46 5.891 7.054 -2.167 1.00 0.00 O ATOM 638 OD2 ASP A 46 5.462 6.911 -4.318 1.00 0.00 O ATOM 0 H ASP A 46 7.683 11.366 -2.991 1.00 0.00 H new ATOM 0 HA ASP A 46 6.771 9.037 -1.407 1.00 0.00 H new ATOM 0 HB2 ASP A 46 5.590 9.615 -3.711 1.00 0.00 H new ATOM 0 HB3 ASP A 46 7.057 8.957 -4.409 1.00 0.00 H new ATOM 643 N SER A 47 9.057 8.119 -1.437 1.00 0.00 N ATOM 644 CA SER A 47 10.411 7.579 -1.401 1.00 0.00 C ATOM 645 C SER A 47 10.388 6.055 -1.351 1.00 0.00 C ATOM 646 O SER A 47 11.336 5.393 -1.772 1.00 0.00 O ATOM 647 CB SER A 47 11.170 8.129 -0.192 1.00 0.00 C ATOM 648 OG SER A 47 10.351 8.138 0.964 1.00 0.00 O ATOM 0 H SER A 47 8.460 7.812 -0.669 1.00 0.00 H new ATOM 0 HA SER A 47 10.922 7.887 -2.313 1.00 0.00 H new ATOM 0 HB2 SER A 47 12.057 7.522 -0.009 1.00 0.00 H new ATOM 0 HB3 SER A 47 11.515 9.141 -0.405 1.00 0.00 H new ATOM 0 HG SER A 47 10.860 8.492 1.723 1.00 0.00 H new ATOM 654 N GLY A 48 9.295 5.503 -0.831 1.00 0.00 N ATOM 655 CA GLY A 48 9.167 4.060 -0.734 1.00 0.00 C ATOM 656 C GLY A 48 9.477 3.362 -2.043 1.00 0.00 C ATOM 657 O GLY A 48 9.770 4.012 -3.047 1.00 0.00 O ATOM 0 H GLY A 48 8.497 6.029 -0.476 1.00 0.00 H new ATOM 0 HA2 GLY A 48 9.839 3.690 0.040 1.00 0.00 H new ATOM 0 HA3 GLY A 48 8.153 3.808 -0.423 1.00 0.00 H new ATOM 661 N ILE A 49 9.415 2.034 -2.033 1.00 0.00 N ATOM 662 CA ILE A 49 9.692 1.248 -3.228 1.00 0.00 C ATOM 663 C ILE A 49 8.401 0.841 -3.930 1.00 0.00 C ATOM 664 O ILE A 49 7.633 0.027 -3.416 1.00 0.00 O ATOM 665 CB ILE A 49 10.502 -0.019 -2.893 1.00 0.00 C ATOM 666 CG1 ILE A 49 11.600 0.305 -1.878 1.00 0.00 C ATOM 667 CG2 ILE A 49 11.102 -0.614 -4.158 1.00 0.00 C ATOM 668 CD1 ILE A 49 12.558 1.379 -2.345 1.00 0.00 C ATOM 0 H ILE A 49 9.175 1.481 -1.210 1.00 0.00 H new ATOM 0 HA ILE A 49 10.280 1.881 -3.893 1.00 0.00 H new ATOM 0 HB ILE A 49 9.831 -0.755 -2.451 1.00 0.00 H new ATOM 0 HG12 ILE A 49 11.137 0.624 -0.944 1.00 0.00 H new ATOM 0 HG13 ILE A 49 12.163 -0.603 -1.662 1.00 0.00 H new ATOM 0 HG21 ILE A 49 11.671 -1.508 -3.905 1.00 0.00 H new ATOM 0 HG22 ILE A 49 10.303 -0.877 -4.851 1.00 0.00 H new ATOM 0 HG23 ILE A 49 11.762 0.116 -4.626 1.00 0.00 H new ATOM 0 HD11 ILE A 49 13.309 1.556 -1.575 1.00 0.00 H new ATOM 0 HD12 ILE A 49 13.049 1.055 -3.263 1.00 0.00 H new ATOM 0 HD13 ILE A 49 12.007 2.301 -2.534 1.00 0.00 H new ATOM 680 N TYR A 50 8.169 1.411 -5.107 1.00 0.00 N ATOM 681 CA TYR A 50 6.971 1.108 -5.880 1.00 0.00 C ATOM 682 C TYR A 50 7.322 0.348 -7.155 1.00 0.00 C ATOM 683 O TYR A 50 8.489 0.050 -7.413 1.00 0.00 O ATOM 684 CB TYR A 50 6.226 2.397 -6.230 1.00 0.00 C ATOM 685 CG TYR A 50 5.718 3.151 -5.022 1.00 0.00 C ATOM 686 CD1 TYR A 50 6.595 3.816 -4.174 1.00 0.00 C ATOM 687 CD2 TYR A 50 4.361 3.198 -4.728 1.00 0.00 C ATOM 688 CE1 TYR A 50 6.135 4.505 -3.069 1.00 0.00 C ATOM 689 CE2 TYR A 50 3.892 3.886 -3.625 1.00 0.00 C ATOM 690 CZ TYR A 50 4.783 4.537 -2.798 1.00 0.00 C ATOM 691 OH TYR A 50 4.321 5.224 -1.699 1.00 0.00 O ATOM 0 H TYR A 50 8.795 2.086 -5.547 1.00 0.00 H new ATOM 0 HA TYR A 50 6.325 0.477 -5.269 1.00 0.00 H new ATOM 0 HB2 TYR A 50 6.890 3.047 -6.800 1.00 0.00 H new ATOM 0 HB3 TYR A 50 5.383 2.155 -6.877 1.00 0.00 H new ATOM 0 HD1 TYR A 50 7.654 3.794 -4.383 1.00 0.00 H new ATOM 0 HD2 TYR A 50 3.660 2.688 -5.373 1.00 0.00 H new ATOM 0 HE1 TYR A 50 6.831 5.016 -2.420 1.00 0.00 H new ATOM 0 HE2 TYR A 50 2.834 3.914 -3.412 1.00 0.00 H new ATOM 0 HH TYR A 50 5.031 5.804 -1.353 1.00 0.00 H new ATOM 701 N VAL A 51 6.304 0.039 -7.952 1.00 0.00 N ATOM 702 CA VAL A 51 6.504 -0.685 -9.202 1.00 0.00 C ATOM 703 C VAL A 51 6.214 0.206 -10.405 1.00 0.00 C ATOM 704 O VAL A 51 5.122 0.759 -10.532 1.00 0.00 O ATOM 705 CB VAL A 51 5.608 -1.935 -9.276 1.00 0.00 C ATOM 706 CG1 VAL A 51 5.898 -2.726 -10.542 1.00 0.00 C ATOM 707 CG2 VAL A 51 5.800 -2.802 -8.040 1.00 0.00 C ATOM 0 H VAL A 51 5.332 0.279 -7.754 1.00 0.00 H new ATOM 0 HA VAL A 51 7.549 -0.994 -9.225 1.00 0.00 H new ATOM 0 HB VAL A 51 4.567 -1.613 -9.308 1.00 0.00 H new ATOM 0 HG11 VAL A 51 5.255 -3.606 -10.577 1.00 0.00 H new ATOM 0 HG12 VAL A 51 5.705 -2.101 -11.414 1.00 0.00 H new ATOM 0 HG13 VAL A 51 6.942 -3.039 -10.544 1.00 0.00 H new ATOM 0 HG21 VAL A 51 5.159 -3.681 -8.109 1.00 0.00 H new ATOM 0 HG22 VAL A 51 6.842 -3.117 -7.974 1.00 0.00 H new ATOM 0 HG23 VAL A 51 5.537 -2.230 -7.150 1.00 0.00 H new ATOM 717 N SER A 52 7.201 0.341 -11.285 1.00 0.00 N ATOM 718 CA SER A 52 7.054 1.167 -12.477 1.00 0.00 C ATOM 719 C SER A 52 6.423 0.372 -13.616 1.00 0.00 C ATOM 720 O SER A 52 5.402 0.772 -14.176 1.00 0.00 O ATOM 721 CB SER A 52 8.413 1.715 -12.915 1.00 0.00 C ATOM 722 OG SER A 52 8.391 2.106 -14.277 1.00 0.00 O ATOM 0 H SER A 52 8.111 -0.111 -11.195 1.00 0.00 H new ATOM 0 HA SER A 52 6.396 2.000 -12.231 1.00 0.00 H new ATOM 0 HB2 SER A 52 8.682 2.569 -12.293 1.00 0.00 H new ATOM 0 HB3 SER A 52 9.180 0.956 -12.764 1.00 0.00 H new ATOM 0 HG SER A 52 9.271 2.454 -14.532 1.00 0.00 H new ATOM 728 N ARG A 53 7.038 -0.757 -13.952 1.00 0.00 N ATOM 729 CA ARG A 53 6.538 -1.610 -15.024 1.00 0.00 C ATOM 730 C ARG A 53 6.835 -3.078 -14.735 1.00 0.00 C ATOM 731 O ARG A 53 7.947 -3.431 -14.342 1.00 0.00 O ATOM 732 CB ARG A 53 7.165 -1.206 -16.360 1.00 0.00 C ATOM 733 CG ARG A 53 6.308 -1.556 -17.566 1.00 0.00 C ATOM 734 CD ARG A 53 5.085 -0.657 -17.661 1.00 0.00 C ATOM 735 NE ARG A 53 4.070 -1.207 -18.555 1.00 0.00 N ATOM 736 CZ ARG A 53 2.996 -0.533 -18.950 1.00 0.00 C ATOM 737 NH1 ARG A 53 2.798 0.709 -18.531 1.00 0.00 N ATOM 738 NH2 ARG A 53 2.117 -1.101 -19.765 1.00 0.00 N ATOM 0 H ARG A 53 7.883 -1.103 -13.498 1.00 0.00 H new ATOM 0 HA ARG A 53 5.457 -1.481 -15.083 1.00 0.00 H new ATOM 0 HB2 ARG A 53 7.349 -0.132 -16.355 1.00 0.00 H new ATOM 0 HB3 ARG A 53 8.134 -1.695 -16.459 1.00 0.00 H new ATOM 0 HG2 ARG A 53 6.902 -1.461 -18.475 1.00 0.00 H new ATOM 0 HG3 ARG A 53 5.991 -2.597 -17.499 1.00 0.00 H new ATOM 0 HD2 ARG A 53 4.658 -0.520 -16.668 1.00 0.00 H new ATOM 0 HD3 ARG A 53 5.386 0.328 -18.017 1.00 0.00 H new ATOM 0 HE ARG A 53 4.193 -2.161 -18.895 1.00 0.00 H new ATOM 0 HH11 ARG A 53 3.471 1.149 -17.904 1.00 0.00 H new ATOM 0 HH12 ARG A 53 1.972 1.225 -18.836 1.00 0.00 H new ATOM 0 HH21 ARG A 53 2.265 -2.057 -20.089 1.00 0.00 H new ATOM 0 HH22 ARG A 53 1.293 -0.582 -20.068 1.00 0.00 H new ATOM 752 N ILE A 54 5.832 -3.928 -14.930 1.00 0.00 N ATOM 753 CA ILE A 54 5.986 -5.358 -14.690 1.00 0.00 C ATOM 754 C ILE A 54 6.124 -6.124 -16.001 1.00 0.00 C ATOM 755 O ILE A 54 5.365 -5.903 -16.945 1.00 0.00 O ATOM 756 CB ILE A 54 4.794 -5.928 -13.899 1.00 0.00 C ATOM 757 CG1 ILE A 54 4.749 -5.321 -12.495 1.00 0.00 C ATOM 758 CG2 ILE A 54 4.885 -7.444 -13.823 1.00 0.00 C ATOM 759 CD1 ILE A 54 3.521 -5.716 -11.705 1.00 0.00 C ATOM 0 H ILE A 54 4.905 -3.652 -15.253 1.00 0.00 H new ATOM 0 HA ILE A 54 6.895 -5.483 -14.102 1.00 0.00 H new ATOM 0 HB ILE A 54 3.873 -5.664 -14.419 1.00 0.00 H new ATOM 0 HG12 ILE A 54 5.639 -5.629 -11.946 1.00 0.00 H new ATOM 0 HG13 ILE A 54 4.785 -4.235 -12.576 1.00 0.00 H new ATOM 0 HG21 ILE A 54 4.035 -7.832 -13.261 1.00 0.00 H new ATOM 0 HG22 ILE A 54 4.874 -7.860 -14.830 1.00 0.00 H new ATOM 0 HG23 ILE A 54 5.811 -7.728 -13.323 1.00 0.00 H new ATOM 0 HD11 ILE A 54 3.556 -5.250 -10.720 1.00 0.00 H new ATOM 0 HD12 ILE A 54 2.627 -5.384 -12.232 1.00 0.00 H new ATOM 0 HD13 ILE A 54 3.494 -6.800 -11.592 1.00 0.00 H new ATOM 771 N LYS A 55 7.098 -7.026 -16.054 1.00 0.00 N ATOM 772 CA LYS A 55 7.335 -7.829 -17.248 1.00 0.00 C ATOM 773 C LYS A 55 6.041 -8.469 -17.739 1.00 0.00 C ATOM 774 O LYS A 55 5.046 -8.512 -17.015 1.00 0.00 O ATOM 775 CB LYS A 55 8.376 -8.913 -16.960 1.00 0.00 C ATOM 776 CG LYS A 55 9.794 -8.380 -16.848 1.00 0.00 C ATOM 777 CD LYS A 55 10.328 -7.925 -18.196 1.00 0.00 C ATOM 778 CE LYS A 55 11.807 -7.581 -18.122 1.00 0.00 C ATOM 779 NZ LYS A 55 12.028 -6.152 -17.767 1.00 0.00 N ATOM 0 H LYS A 55 7.737 -7.220 -15.283 1.00 0.00 H new ATOM 0 HA LYS A 55 7.713 -7.170 -18.030 1.00 0.00 H new ATOM 0 HB2 LYS A 55 8.113 -9.420 -16.032 1.00 0.00 H new ATOM 0 HB3 LYS A 55 8.339 -9.660 -17.753 1.00 0.00 H new ATOM 0 HG2 LYS A 55 9.815 -7.546 -16.147 1.00 0.00 H new ATOM 0 HG3 LYS A 55 10.444 -9.155 -16.441 1.00 0.00 H new ATOM 0 HD2 LYS A 55 10.173 -8.712 -18.934 1.00 0.00 H new ATOM 0 HD3 LYS A 55 9.767 -7.054 -18.536 1.00 0.00 H new ATOM 0 HE2 LYS A 55 12.291 -8.218 -17.382 1.00 0.00 H new ATOM 0 HE3 LYS A 55 12.278 -7.793 -19.082 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 13.049 -5.958 -17.727 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 11.588 -5.543 -18.487 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 11.601 -5.955 -16.839 1.00 0.00 H new ATOM 793 N GLU A 56 6.062 -8.967 -18.971 1.00 0.00 N ATOM 794 CA GLU A 56 4.890 -9.606 -19.557 1.00 0.00 C ATOM 795 C GLU A 56 4.926 -11.116 -19.336 1.00 0.00 C ATOM 796 O GLU A 56 3.949 -11.711 -18.883 1.00 0.00 O ATOM 797 CB GLU A 56 4.809 -9.301 -21.054 1.00 0.00 C ATOM 798 CG GLU A 56 3.466 -9.647 -21.674 1.00 0.00 C ATOM 799 CD GLU A 56 2.409 -8.594 -21.405 1.00 0.00 C ATOM 800 OE1 GLU A 56 2.548 -7.468 -21.927 1.00 0.00 O ATOM 801 OE2 GLU A 56 1.444 -8.894 -20.671 1.00 0.00 O ATOM 0 H GLU A 56 6.878 -8.940 -19.583 1.00 0.00 H new ATOM 0 HA GLU A 56 4.005 -9.204 -19.064 1.00 0.00 H new ATOM 0 HB2 GLU A 56 5.010 -8.241 -21.212 1.00 0.00 H new ATOM 0 HB3 GLU A 56 5.592 -9.855 -21.572 1.00 0.00 H new ATOM 0 HG2 GLU A 56 3.588 -9.767 -22.751 1.00 0.00 H new ATOM 0 HG3 GLU A 56 3.126 -10.606 -21.283 1.00 0.00 H new ATOM 808 N ASN A 57 6.060 -11.729 -19.661 1.00 0.00 N ATOM 809 CA ASN A 57 6.223 -13.169 -19.499 1.00 0.00 C ATOM 810 C ASN A 57 7.192 -13.482 -18.363 1.00 0.00 C ATOM 811 O ASN A 57 7.964 -14.438 -18.437 1.00 0.00 O ATOM 812 CB ASN A 57 6.727 -13.795 -20.801 1.00 0.00 C ATOM 813 CG ASN A 57 5.661 -13.822 -21.880 1.00 0.00 C ATOM 814 OD1 ASN A 57 4.466 -13.854 -21.586 1.00 0.00 O ATOM 815 ND2 ASN A 57 6.091 -13.809 -23.136 1.00 0.00 N ATOM 0 H ASN A 57 6.879 -11.251 -20.038 1.00 0.00 H new ATOM 0 HA ASN A 57 5.251 -13.595 -19.251 1.00 0.00 H new ATOM 0 HB2 ASN A 57 7.590 -13.234 -21.160 1.00 0.00 H new ATOM 0 HB3 ASN A 57 7.067 -14.812 -20.604 1.00 0.00 H new ATOM 0 HD21 ASN A 57 5.421 -13.826 -23.905 1.00 0.00 H new ATOM 0 HD22 ASN A 57 7.092 -13.782 -23.332 1.00 0.00 H new ATOM 822 N GLY A 58 7.145 -12.670 -17.311 1.00 0.00 N ATOM 823 CA GLY A 58 8.023 -12.878 -16.174 1.00 0.00 C ATOM 824 C GLY A 58 7.353 -13.655 -15.059 1.00 0.00 C ATOM 825 O GLY A 58 6.179 -14.010 -15.159 1.00 0.00 O ATOM 0 H GLY A 58 6.515 -11.872 -17.226 1.00 0.00 H new ATOM 0 HA2 GLY A 58 8.915 -13.413 -16.501 1.00 0.00 H new ATOM 0 HA3 GLY A 58 8.353 -11.912 -15.792 1.00 0.00 H new ATOM 829 N ALA A 59 8.101 -13.922 -13.994 1.00 0.00 N ATOM 830 CA ALA A 59 7.572 -14.663 -12.855 1.00 0.00 C ATOM 831 C ALA A 59 6.420 -13.910 -12.198 1.00 0.00 C ATOM 832 O ALA A 59 5.490 -14.519 -11.669 1.00 0.00 O ATOM 833 CB ALA A 59 8.675 -14.931 -11.842 1.00 0.00 C ATOM 0 H ALA A 59 9.075 -13.636 -13.896 1.00 0.00 H new ATOM 0 HA ALA A 59 7.188 -15.616 -13.219 1.00 0.00 H new ATOM 0 HB1 ALA A 59 8.266 -15.485 -10.997 1.00 0.00 H new ATOM 0 HB2 ALA A 59 9.466 -15.517 -12.311 1.00 0.00 H new ATOM 0 HB3 ALA A 59 9.085 -13.984 -11.491 1.00 0.00 H new ATOM 839 N ALA A 60 6.489 -12.583 -12.235 1.00 0.00 N ATOM 840 CA ALA A 60 5.450 -11.748 -11.644 1.00 0.00 C ATOM 841 C ALA A 60 4.200 -11.728 -12.517 1.00 0.00 C ATOM 842 O ALA A 60 3.079 -11.778 -12.012 1.00 0.00 O ATOM 843 CB ALA A 60 5.969 -10.334 -11.429 1.00 0.00 C ATOM 0 H ALA A 60 7.253 -12.064 -12.668 1.00 0.00 H new ATOM 0 HA ALA A 60 5.180 -12.175 -10.678 1.00 0.00 H new ATOM 0 HB1 ALA A 60 5.183 -9.721 -10.987 1.00 0.00 H new ATOM 0 HB2 ALA A 60 6.829 -10.360 -10.759 1.00 0.00 H new ATOM 0 HB3 ALA A 60 6.268 -9.907 -12.386 1.00 0.00 H new ATOM 849 N ALA A 61 4.401 -11.652 -13.829 1.00 0.00 N ATOM 850 CA ALA A 61 3.289 -11.626 -14.771 1.00 0.00 C ATOM 851 C ALA A 61 2.426 -12.876 -14.636 1.00 0.00 C ATOM 852 O ALA A 61 1.198 -12.791 -14.575 1.00 0.00 O ATOM 853 CB ALA A 61 3.808 -11.492 -16.195 1.00 0.00 C ATOM 0 H ALA A 61 5.323 -11.607 -14.263 1.00 0.00 H new ATOM 0 HA ALA A 61 2.668 -10.761 -14.539 1.00 0.00 H new ATOM 0 HB1 ALA A 61 2.967 -11.474 -16.888 1.00 0.00 H new ATOM 0 HB2 ALA A 61 4.376 -10.567 -16.290 1.00 0.00 H new ATOM 0 HB3 ALA A 61 4.453 -12.339 -16.429 1.00 0.00 H new ATOM 859 N LEU A 62 3.073 -14.035 -14.591 1.00 0.00 N ATOM 860 CA LEU A 62 2.364 -15.303 -14.464 1.00 0.00 C ATOM 861 C LEU A 62 1.628 -15.384 -13.131 1.00 0.00 C ATOM 862 O LEU A 62 0.439 -15.702 -13.085 1.00 0.00 O ATOM 863 CB LEU A 62 3.343 -16.472 -14.591 1.00 0.00 C ATOM 864 CG LEU A 62 4.190 -16.503 -15.864 1.00 0.00 C ATOM 865 CD1 LEU A 62 5.409 -17.391 -15.672 1.00 0.00 C ATOM 866 CD2 LEU A 62 3.360 -16.982 -17.046 1.00 0.00 C ATOM 0 H LEU A 62 4.088 -14.123 -14.641 1.00 0.00 H new ATOM 0 HA LEU A 62 1.630 -15.363 -15.267 1.00 0.00 H new ATOM 0 HB2 LEU A 62 4.014 -16.453 -13.732 1.00 0.00 H new ATOM 0 HB3 LEU A 62 2.777 -17.402 -14.532 1.00 0.00 H new ATOM 0 HG LEU A 62 4.533 -15.490 -16.074 1.00 0.00 H new ATOM 0 HD11 LEU A 62 6.000 -17.401 -16.588 1.00 0.00 H new ATOM 0 HD12 LEU A 62 6.016 -17.004 -14.853 1.00 0.00 H new ATOM 0 HD13 LEU A 62 5.087 -18.405 -15.437 1.00 0.00 H new ATOM 0 HD21 LEU A 62 3.979 -16.998 -17.943 1.00 0.00 H new ATOM 0 HD22 LEU A 62 2.987 -17.986 -16.845 1.00 0.00 H new ATOM 0 HD23 LEU A 62 2.519 -16.306 -17.198 1.00 0.00 H new ATOM 878 N ASP A 63 2.341 -15.092 -12.049 1.00 0.00 N ATOM 879 CA ASP A 63 1.754 -15.129 -10.714 1.00 0.00 C ATOM 880 C ASP A 63 0.414 -14.400 -10.689 1.00 0.00 C ATOM 881 O ASP A 63 -0.552 -14.877 -10.097 1.00 0.00 O ATOM 882 CB ASP A 63 2.709 -14.502 -9.697 1.00 0.00 C ATOM 883 CG ASP A 63 2.421 -14.953 -8.278 1.00 0.00 C ATOM 884 OD1 ASP A 63 2.149 -16.156 -8.081 1.00 0.00 O ATOM 885 OD2 ASP A 63 2.468 -14.102 -7.365 1.00 0.00 O ATOM 0 H ASP A 63 3.326 -14.827 -12.070 1.00 0.00 H new ATOM 0 HA ASP A 63 1.584 -16.172 -10.447 1.00 0.00 H new ATOM 0 HB2 ASP A 63 3.735 -14.763 -9.957 1.00 0.00 H new ATOM 0 HB3 ASP A 63 2.633 -13.416 -9.753 1.00 0.00 H new ATOM 890 N GLY A 64 0.366 -13.239 -11.336 1.00 0.00 N ATOM 891 CA GLY A 64 -0.859 -12.462 -11.375 1.00 0.00 C ATOM 892 C GLY A 64 -1.067 -11.645 -10.115 1.00 0.00 C ATOM 893 O GLY A 64 -1.550 -10.514 -10.174 1.00 0.00 O ATOM 0 H GLY A 64 1.153 -12.823 -11.833 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -0.836 -11.795 -12.237 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -1.707 -13.133 -11.514 1.00 0.00 H new ATOM 897 N ARG A 65 -0.704 -12.218 -8.973 1.00 0.00 N ATOM 898 CA ARG A 65 -0.857 -11.536 -7.693 1.00 0.00 C ATOM 899 C ARG A 65 -0.299 -10.118 -7.764 1.00 0.00 C ATOM 900 O ARG A 65 -1.010 -9.146 -7.504 1.00 0.00 O ATOM 901 CB ARG A 65 -0.149 -12.320 -6.586 1.00 0.00 C ATOM 902 CG ARG A 65 -0.521 -13.793 -6.549 1.00 0.00 C ATOM 903 CD ARG A 65 -0.214 -14.411 -5.194 1.00 0.00 C ATOM 904 NE ARG A 65 -0.882 -13.702 -4.105 1.00 0.00 N ATOM 905 CZ ARG A 65 -0.778 -14.051 -2.828 1.00 0.00 C ATOM 906 NH1 ARG A 65 -0.036 -15.094 -2.481 1.00 0.00 N ATOM 907 NH2 ARG A 65 -1.416 -13.356 -1.895 1.00 0.00 N ATOM 0 H ARG A 65 -0.302 -13.153 -8.907 1.00 0.00 H new ATOM 0 HA ARG A 65 -1.921 -11.478 -7.464 1.00 0.00 H new ATOM 0 HB2 ARG A 65 0.929 -12.230 -6.721 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -0.389 -11.869 -5.623 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -1.582 -13.907 -6.770 1.00 0.00 H new ATOM 0 HG3 ARG A 65 0.026 -14.327 -7.326 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -0.527 -15.455 -5.193 1.00 0.00 H new ATOM 0 HD3 ARG A 65 0.863 -14.401 -5.026 1.00 0.00 H new ATOM 0 HE ARG A 65 -1.460 -12.895 -4.338 1.00 0.00 H new ATOM 0 HH11 ARG A 65 0.456 -15.630 -3.196 1.00 0.00 H new ATOM 0 HH12 ARG A 65 0.042 -15.360 -1.499 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -1.987 -12.553 -2.158 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -1.336 -13.625 -0.914 1.00 0.00 H new ATOM 921 N LEU A 66 0.977 -10.006 -8.116 1.00 0.00 N ATOM 922 CA LEU A 66 1.631 -8.706 -8.220 1.00 0.00 C ATOM 923 C LEU A 66 1.047 -7.893 -9.371 1.00 0.00 C ATOM 924 O LEU A 66 0.660 -8.447 -10.400 1.00 0.00 O ATOM 925 CB LEU A 66 3.137 -8.885 -8.419 1.00 0.00 C ATOM 926 CG LEU A 66 4.018 -7.724 -7.958 1.00 0.00 C ATOM 927 CD1 LEU A 66 4.230 -7.780 -6.453 1.00 0.00 C ATOM 928 CD2 LEU A 66 5.353 -7.744 -8.688 1.00 0.00 C ATOM 0 H LEU A 66 1.579 -10.800 -8.334 1.00 0.00 H new ATOM 0 HA LEU A 66 1.456 -8.163 -7.291 1.00 0.00 H new ATOM 0 HB2 LEU A 66 3.449 -9.784 -7.888 1.00 0.00 H new ATOM 0 HB3 LEU A 66 3.325 -9.059 -9.478 1.00 0.00 H new ATOM 0 HG LEU A 66 3.510 -6.790 -8.198 1.00 0.00 H new ATOM 0 HD11 LEU A 66 4.859 -6.946 -6.143 1.00 0.00 H new ATOM 0 HD12 LEU A 66 3.267 -7.715 -5.947 1.00 0.00 H new ATOM 0 HD13 LEU A 66 4.716 -8.719 -6.189 1.00 0.00 H new ATOM 0 HD21 LEU A 66 5.967 -6.910 -8.347 1.00 0.00 H new ATOM 0 HD22 LEU A 66 5.867 -8.682 -8.480 1.00 0.00 H new ATOM 0 HD23 LEU A 66 5.182 -7.654 -9.761 1.00 0.00 H new ATOM 940 N GLN A 67 0.988 -6.578 -9.190 1.00 0.00 N ATOM 941 CA GLN A 67 0.453 -5.689 -10.215 1.00 0.00 C ATOM 942 C GLN A 67 1.090 -4.307 -10.123 1.00 0.00 C ATOM 943 O GLN A 67 1.303 -3.784 -9.030 1.00 0.00 O ATOM 944 CB GLN A 67 -1.066 -5.575 -10.078 1.00 0.00 C ATOM 945 CG GLN A 67 -1.512 -4.916 -8.782 1.00 0.00 C ATOM 946 CD GLN A 67 -2.997 -4.613 -8.763 1.00 0.00 C ATOM 947 OE1 GLN A 67 -3.754 -5.205 -7.994 1.00 0.00 O ATOM 948 NE2 GLN A 67 -3.423 -3.685 -9.613 1.00 0.00 N ATOM 0 H GLN A 67 1.304 -6.104 -8.344 1.00 0.00 H new ATOM 0 HA GLN A 67 0.691 -6.114 -11.190 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -1.457 -5.003 -10.920 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -1.504 -6.571 -10.139 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -1.267 -5.569 -7.944 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -0.954 -3.991 -8.639 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -2.761 -3.219 -10.233 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -4.412 -3.439 -9.645 1.00 0.00 H new ATOM 957 N GLU A 68 1.390 -3.721 -11.278 1.00 0.00 N ATOM 958 CA GLU A 68 2.003 -2.399 -11.326 1.00 0.00 C ATOM 959 C GLU A 68 1.367 -1.466 -10.300 1.00 0.00 C ATOM 960 O GLU A 68 0.277 -1.731 -9.795 1.00 0.00 O ATOM 961 CB GLU A 68 1.868 -1.800 -12.728 1.00 0.00 C ATOM 962 CG GLU A 68 3.020 -2.152 -13.654 1.00 0.00 C ATOM 963 CD GLU A 68 2.844 -1.581 -15.047 1.00 0.00 C ATOM 964 OE1 GLU A 68 2.846 -0.340 -15.185 1.00 0.00 O ATOM 965 OE2 GLU A 68 2.705 -2.375 -16.001 1.00 0.00 O ATOM 0 H GLU A 68 1.219 -4.140 -12.192 1.00 0.00 H new ATOM 0 HA GLU A 68 3.060 -2.509 -11.085 1.00 0.00 H new ATOM 0 HB2 GLU A 68 0.936 -2.147 -13.174 1.00 0.00 H new ATOM 0 HB3 GLU A 68 1.798 -0.715 -12.645 1.00 0.00 H new ATOM 0 HG2 GLU A 68 3.951 -1.779 -13.227 1.00 0.00 H new ATOM 0 HG3 GLU A 68 3.111 -3.236 -13.719 1.00 0.00 H new ATOM 972 N GLY A 69 2.058 -0.371 -9.995 1.00 0.00 N ATOM 973 CA GLY A 69 1.546 0.584 -9.029 1.00 0.00 C ATOM 974 C GLY A 69 1.615 0.064 -7.607 1.00 0.00 C ATOM 975 O GLY A 69 1.288 0.781 -6.661 1.00 0.00 O ATOM 0 H GLY A 69 2.962 -0.129 -10.399 1.00 0.00 H new ATOM 0 HA2 GLY A 69 2.116 1.511 -9.102 1.00 0.00 H new ATOM 0 HA3 GLY A 69 0.512 0.825 -9.274 1.00 0.00 H new ATOM 979 N ASP A 70 2.039 -1.185 -7.455 1.00 0.00 N ATOM 980 CA ASP A 70 2.148 -1.801 -6.138 1.00 0.00 C ATOM 981 C ASP A 70 3.322 -1.215 -5.360 1.00 0.00 C ATOM 982 O ASP A 70 4.395 -0.980 -5.917 1.00 0.00 O ATOM 983 CB ASP A 70 2.315 -3.316 -6.271 1.00 0.00 C ATOM 984 CG ASP A 70 0.991 -4.029 -6.464 1.00 0.00 C ATOM 985 OD1 ASP A 70 -0.055 -3.346 -6.475 1.00 0.00 O ATOM 986 OD2 ASP A 70 1.000 -5.270 -6.604 1.00 0.00 O ATOM 0 H ASP A 70 2.313 -1.791 -8.228 1.00 0.00 H new ATOM 0 HA ASP A 70 1.230 -1.591 -5.590 1.00 0.00 H new ATOM 0 HB2 ASP A 70 2.968 -3.534 -7.116 1.00 0.00 H new ATOM 0 HB3 ASP A 70 2.807 -3.704 -5.379 1.00 0.00 H new ATOM 991 N LYS A 71 3.111 -0.978 -4.070 1.00 0.00 N ATOM 992 CA LYS A 71 4.151 -0.419 -3.214 1.00 0.00 C ATOM 993 C LYS A 71 4.676 -1.469 -2.239 1.00 0.00 C ATOM 994 O LYS A 71 4.000 -1.825 -1.273 1.00 0.00 O ATOM 995 CB LYS A 71 3.610 0.786 -2.440 1.00 0.00 C ATOM 996 CG LYS A 71 4.643 1.445 -1.543 1.00 0.00 C ATOM 997 CD LYS A 71 3.999 2.061 -0.312 1.00 0.00 C ATOM 998 CE LYS A 71 5.041 2.662 0.620 1.00 0.00 C ATOM 999 NZ LYS A 71 4.421 3.246 1.841 1.00 0.00 N ATOM 0 H LYS A 71 2.228 -1.164 -3.594 1.00 0.00 H new ATOM 0 HA LYS A 71 4.975 -0.095 -3.850 1.00 0.00 H new ATOM 0 HB2 LYS A 71 3.233 1.523 -3.149 1.00 0.00 H new ATOM 0 HB3 LYS A 71 2.764 0.467 -1.832 1.00 0.00 H new ATOM 0 HG2 LYS A 71 5.384 0.707 -1.236 1.00 0.00 H new ATOM 0 HG3 LYS A 71 5.173 2.216 -2.102 1.00 0.00 H new ATOM 0 HD2 LYS A 71 3.293 2.834 -0.617 1.00 0.00 H new ATOM 0 HD3 LYS A 71 3.428 1.300 0.221 1.00 0.00 H new ATOM 0 HE2 LYS A 71 5.757 1.893 0.909 1.00 0.00 H new ATOM 0 HE3 LYS A 71 5.599 3.434 0.091 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 5.163 3.645 2.450 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 3.756 3.998 1.567 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 3.910 2.504 2.360 1.00 0.00 H new ATOM 1013 N ILE A 72 5.884 -1.958 -2.497 1.00 0.00 N ATOM 1014 CA ILE A 72 6.499 -2.964 -1.640 1.00 0.00 C ATOM 1015 C ILE A 72 6.873 -2.376 -0.284 1.00 0.00 C ATOM 1016 O ILE A 72 7.929 -1.759 -0.132 1.00 0.00 O ATOM 1017 CB ILE A 72 7.758 -3.565 -2.293 1.00 0.00 C ATOM 1018 CG1 ILE A 72 7.421 -4.141 -3.669 1.00 0.00 C ATOM 1019 CG2 ILE A 72 8.359 -4.637 -1.396 1.00 0.00 C ATOM 1020 CD1 ILE A 72 8.636 -4.391 -4.534 1.00 0.00 C ATOM 0 H ILE A 72 6.456 -1.674 -3.292 1.00 0.00 H new ATOM 0 HA ILE A 72 5.761 -3.754 -1.499 1.00 0.00 H new ATOM 0 HB ILE A 72 8.495 -2.773 -2.423 1.00 0.00 H new ATOM 0 HG12 ILE A 72 6.879 -5.078 -3.539 1.00 0.00 H new ATOM 0 HG13 ILE A 72 6.751 -3.455 -4.187 1.00 0.00 H new ATOM 0 HG21 ILE A 72 9.248 -5.052 -1.871 1.00 0.00 H new ATOM 0 HG22 ILE A 72 8.632 -4.198 -0.437 1.00 0.00 H new ATOM 0 HG23 ILE A 72 7.628 -5.430 -1.237 1.00 0.00 H new ATOM 0 HD11 ILE A 72 8.321 -4.799 -5.494 1.00 0.00 H new ATOM 0 HD12 ILE A 72 9.167 -3.453 -4.695 1.00 0.00 H new ATOM 0 HD13 ILE A 72 9.297 -5.101 -4.037 1.00 0.00 H new ATOM 1032 N LEU A 73 6.003 -2.574 0.700 1.00 0.00 N ATOM 1033 CA LEU A 73 6.243 -2.065 2.046 1.00 0.00 C ATOM 1034 C LEU A 73 7.462 -2.734 2.672 1.00 0.00 C ATOM 1035 O LEU A 73 8.403 -2.062 3.096 1.00 0.00 O ATOM 1036 CB LEU A 73 5.013 -2.295 2.926 1.00 0.00 C ATOM 1037 CG LEU A 73 3.673 -1.857 2.334 1.00 0.00 C ATOM 1038 CD1 LEU A 73 2.545 -2.728 2.864 1.00 0.00 C ATOM 1039 CD2 LEU A 73 3.407 -0.391 2.642 1.00 0.00 C ATOM 0 H LEU A 73 5.126 -3.083 0.591 1.00 0.00 H new ATOM 0 HA LEU A 73 6.436 -0.995 1.974 1.00 0.00 H new ATOM 0 HB2 LEU A 73 4.953 -3.357 3.162 1.00 0.00 H new ATOM 0 HB3 LEU A 73 5.161 -1.767 3.868 1.00 0.00 H new ATOM 0 HG LEU A 73 3.720 -1.977 1.252 1.00 0.00 H new ATOM 0 HD11 LEU A 73 1.599 -2.401 2.432 1.00 0.00 H new ATOM 0 HD12 LEU A 73 2.729 -3.767 2.591 1.00 0.00 H new ATOM 0 HD13 LEU A 73 2.497 -2.641 3.949 1.00 0.00 H new ATOM 0 HD21 LEU A 73 2.449 -0.097 2.213 1.00 0.00 H new ATOM 0 HD22 LEU A 73 3.381 -0.245 3.722 1.00 0.00 H new ATOM 0 HD23 LEU A 73 4.200 0.221 2.212 1.00 0.00 H new ATOM 1051 N SER A 74 7.440 -4.062 2.725 1.00 0.00 N ATOM 1052 CA SER A 74 8.543 -4.823 3.301 1.00 0.00 C ATOM 1053 C SER A 74 8.958 -5.963 2.376 1.00 0.00 C ATOM 1054 O SER A 74 8.283 -6.253 1.388 1.00 0.00 O ATOM 1055 CB SER A 74 8.147 -5.380 4.669 1.00 0.00 C ATOM 1056 OG SER A 74 7.658 -4.354 5.516 1.00 0.00 O ATOM 0 H SER A 74 6.670 -4.633 2.376 1.00 0.00 H new ATOM 0 HA SER A 74 9.391 -4.150 3.423 1.00 0.00 H new ATOM 0 HB2 SER A 74 7.384 -6.148 4.545 1.00 0.00 H new ATOM 0 HB3 SER A 74 9.009 -5.859 5.133 1.00 0.00 H new ATOM 0 HG SER A 74 7.410 -4.736 6.384 1.00 0.00 H new ATOM 1062 N VAL A 75 10.074 -6.606 2.703 1.00 0.00 N ATOM 1063 CA VAL A 75 10.580 -7.716 1.903 1.00 0.00 C ATOM 1064 C VAL A 75 11.380 -8.690 2.760 1.00 0.00 C ATOM 1065 O VAL A 75 12.349 -8.307 3.414 1.00 0.00 O ATOM 1066 CB VAL A 75 11.467 -7.216 0.748 1.00 0.00 C ATOM 1067 CG1 VAL A 75 12.409 -6.124 1.232 1.00 0.00 C ATOM 1068 CG2 VAL A 75 12.246 -8.371 0.137 1.00 0.00 C ATOM 0 H VAL A 75 10.645 -6.378 3.516 1.00 0.00 H new ATOM 0 HA VAL A 75 9.713 -8.230 1.488 1.00 0.00 H new ATOM 0 HB VAL A 75 10.824 -6.792 -0.024 1.00 0.00 H new ATOM 0 HG11 VAL A 75 13.028 -5.783 0.402 1.00 0.00 H new ATOM 0 HG12 VAL A 75 11.828 -5.287 1.619 1.00 0.00 H new ATOM 0 HG13 VAL A 75 13.047 -6.518 2.023 1.00 0.00 H new ATOM 0 HG21 VAL A 75 12.868 -8.000 -0.678 1.00 0.00 H new ATOM 0 HG22 VAL A 75 12.879 -8.826 0.899 1.00 0.00 H new ATOM 0 HG23 VAL A 75 11.550 -9.116 -0.248 1.00 0.00 H new ATOM 1078 N ASN A 76 10.968 -9.954 2.750 1.00 0.00 N ATOM 1079 CA ASN A 76 11.647 -10.985 3.527 1.00 0.00 C ATOM 1080 C ASN A 76 11.899 -10.513 4.955 1.00 0.00 C ATOM 1081 O ASN A 76 12.987 -10.698 5.499 1.00 0.00 O ATOM 1082 CB ASN A 76 12.972 -11.364 2.862 1.00 0.00 C ATOM 1083 CG ASN A 76 12.771 -12.075 1.537 1.00 0.00 C ATOM 1084 OD1 ASN A 76 11.856 -11.754 0.780 1.00 0.00 O ATOM 1085 ND2 ASN A 76 13.629 -13.048 1.252 1.00 0.00 N ATOM 0 H ASN A 76 10.168 -10.289 2.213 1.00 0.00 H new ATOM 0 HA ASN A 76 11.001 -11.862 3.562 1.00 0.00 H new ATOM 0 HB2 ASN A 76 13.566 -10.464 2.702 1.00 0.00 H new ATOM 0 HB3 ASN A 76 13.542 -12.006 3.533 1.00 0.00 H new ATOM 0 HD21 ASN A 76 13.544 -13.563 0.375 1.00 0.00 H new ATOM 0 HD22 ASN A 76 14.373 -13.281 1.910 1.00 0.00 H new ATOM 1092 N GLY A 77 10.884 -9.902 5.559 1.00 0.00 N ATOM 1093 CA GLY A 77 11.016 -9.413 6.919 1.00 0.00 C ATOM 1094 C GLY A 77 11.964 -8.235 7.022 1.00 0.00 C ATOM 1095 O GLY A 77 12.487 -7.944 8.098 1.00 0.00 O ATOM 0 H GLY A 77 9.973 -9.737 5.131 1.00 0.00 H new ATOM 0 HA2 GLY A 77 10.035 -9.120 7.293 1.00 0.00 H new ATOM 0 HA3 GLY A 77 11.373 -10.220 7.559 1.00 0.00 H new ATOM 1099 N GLN A 78 12.188 -7.557 5.901 1.00 0.00 N ATOM 1100 CA GLN A 78 13.082 -6.406 5.871 1.00 0.00 C ATOM 1101 C GLN A 78 12.324 -5.137 5.495 1.00 0.00 C ATOM 1102 O GLN A 78 12.076 -4.875 4.318 1.00 0.00 O ATOM 1103 CB GLN A 78 14.222 -6.645 4.880 1.00 0.00 C ATOM 1104 CG GLN A 78 15.002 -7.922 5.146 1.00 0.00 C ATOM 1105 CD GLN A 78 16.120 -8.143 4.146 1.00 0.00 C ATOM 1106 OE1 GLN A 78 15.808 -8.825 3.050 1.00 0.00 O flip ATOM 1107 NE2 GLN A 78 17.252 -7.705 4.355 1.00 0.00 N flip ATOM 0 H GLN A 78 11.763 -7.785 5.002 1.00 0.00 H new ATOM 0 HA GLN A 78 13.499 -6.276 6.870 1.00 0.00 H new ATOM 0 HB2 GLN A 78 13.813 -6.683 3.870 1.00 0.00 H new ATOM 0 HB3 GLN A 78 14.906 -5.797 4.915 1.00 0.00 H new ATOM 0 HG2 GLN A 78 15.421 -7.884 6.151 1.00 0.00 H new ATOM 0 HG3 GLN A 78 14.320 -8.772 5.117 1.00 0.00 H new ATOM 0 HE21 GLN A 78 17.448 -7.186 5.211 1.00 0.00 H new ATOM 0 HE22 GLN A 78 17.993 -7.861 3.672 1.00 0.00 H new ATOM 1116 N ASP A 79 11.958 -4.352 6.503 1.00 0.00 N ATOM 1117 CA ASP A 79 11.228 -3.110 6.279 1.00 0.00 C ATOM 1118 C ASP A 79 12.052 -2.140 5.438 1.00 0.00 C ATOM 1119 O ASP A 79 13.078 -1.628 5.889 1.00 0.00 O ATOM 1120 CB ASP A 79 10.860 -2.462 7.614 1.00 0.00 C ATOM 1121 CG ASP A 79 10.646 -3.483 8.714 1.00 0.00 C ATOM 1122 OD1 ASP A 79 11.639 -4.101 9.151 1.00 0.00 O ATOM 1123 OD2 ASP A 79 9.486 -3.663 9.139 1.00 0.00 O ATOM 0 H ASP A 79 12.155 -4.554 7.483 1.00 0.00 H new ATOM 0 HA ASP A 79 10.313 -3.348 5.736 1.00 0.00 H new ATOM 0 HB2 ASP A 79 11.651 -1.773 7.911 1.00 0.00 H new ATOM 0 HB3 ASP A 79 9.953 -1.871 7.490 1.00 0.00 H new ATOM 1128 N LEU A 80 11.598 -1.892 4.215 1.00 0.00 N ATOM 1129 CA LEU A 80 12.293 -0.984 3.310 1.00 0.00 C ATOM 1130 C LEU A 80 11.968 0.469 3.640 1.00 0.00 C ATOM 1131 O LEU A 80 10.841 0.924 3.445 1.00 0.00 O ATOM 1132 CB LEU A 80 11.913 -1.286 1.859 1.00 0.00 C ATOM 1133 CG LEU A 80 12.098 -2.734 1.405 1.00 0.00 C ATOM 1134 CD1 LEU A 80 11.111 -3.078 0.301 1.00 0.00 C ATOM 1135 CD2 LEU A 80 13.527 -2.967 0.936 1.00 0.00 C ATOM 0 H LEU A 80 10.751 -2.307 3.827 1.00 0.00 H new ATOM 0 HA LEU A 80 13.365 -1.136 3.437 1.00 0.00 H new ATOM 0 HB2 LEU A 80 10.868 -1.011 1.713 1.00 0.00 H new ATOM 0 HB3 LEU A 80 12.506 -0.643 1.208 1.00 0.00 H new ATOM 0 HG LEU A 80 11.904 -3.388 2.255 1.00 0.00 H new ATOM 0 HD11 LEU A 80 11.258 -4.113 -0.009 1.00 0.00 H new ATOM 0 HD12 LEU A 80 10.093 -2.951 0.670 1.00 0.00 H new ATOM 0 HD13 LEU A 80 11.273 -2.417 -0.551 1.00 0.00 H new ATOM 0 HD21 LEU A 80 13.641 -4.003 0.617 1.00 0.00 H new ATOM 0 HD22 LEU A 80 13.748 -2.303 0.100 1.00 0.00 H new ATOM 0 HD23 LEU A 80 14.217 -2.762 1.755 1.00 0.00 H new ATOM 1147 N LYS A 81 12.963 1.194 4.139 1.00 0.00 N ATOM 1148 CA LYS A 81 12.785 2.597 4.494 1.00 0.00 C ATOM 1149 C LYS A 81 14.122 3.243 4.846 1.00 0.00 C ATOM 1150 O LYS A 81 14.923 2.671 5.583 1.00 0.00 O ATOM 1151 CB LYS A 81 11.818 2.728 5.672 1.00 0.00 C ATOM 1152 CG LYS A 81 12.370 2.179 6.976 1.00 0.00 C ATOM 1153 CD LYS A 81 11.424 2.442 8.137 1.00 0.00 C ATOM 1154 CE LYS A 81 10.227 1.504 8.103 1.00 0.00 C ATOM 1155 NZ LYS A 81 9.366 1.661 9.308 1.00 0.00 N ATOM 0 H LYS A 81 13.902 0.833 4.307 1.00 0.00 H new ATOM 0 HA LYS A 81 12.367 3.114 3.630 1.00 0.00 H new ATOM 0 HB2 LYS A 81 11.565 3.779 5.808 1.00 0.00 H new ATOM 0 HB3 LYS A 81 10.892 2.206 5.431 1.00 0.00 H new ATOM 0 HG2 LYS A 81 12.538 1.106 6.878 1.00 0.00 H new ATOM 0 HG3 LYS A 81 13.338 2.636 7.183 1.00 0.00 H new ATOM 0 HD2 LYS A 81 11.959 2.318 9.079 1.00 0.00 H new ATOM 0 HD3 LYS A 81 11.079 3.475 8.100 1.00 0.00 H new ATOM 0 HE2 LYS A 81 9.637 1.700 7.207 1.00 0.00 H new ATOM 0 HE3 LYS A 81 10.575 0.473 8.037 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 8.561 1.005 9.248 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 9.921 1.450 10.161 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 9.013 2.638 9.358 1.00 0.00 H new ATOM 1169 N ASN A 82 14.354 4.439 4.314 1.00 0.00 N ATOM 1170 CA ASN A 82 15.593 5.163 4.573 1.00 0.00 C ATOM 1171 C ASN A 82 16.772 4.493 3.873 1.00 0.00 C ATOM 1172 O ASN A 82 17.843 4.326 4.458 1.00 0.00 O ATOM 1173 CB ASN A 82 15.858 5.241 6.078 1.00 0.00 C ATOM 1174 CG ASN A 82 14.613 5.604 6.866 1.00 0.00 C ATOM 1175 OD1 ASN A 82 13.930 6.579 6.554 1.00 0.00 O ATOM 1176 ND2 ASN A 82 14.313 4.817 7.893 1.00 0.00 N ATOM 0 H ASN A 82 13.700 4.927 3.701 1.00 0.00 H new ATOM 0 HA ASN A 82 15.483 6.172 4.177 1.00 0.00 H new ATOM 0 HB2 ASN A 82 16.239 4.281 6.427 1.00 0.00 H new ATOM 0 HB3 ASN A 82 16.635 5.981 6.270 1.00 0.00 H new ATOM 0 HD21 ASN A 82 13.487 5.010 8.460 1.00 0.00 H new ATOM 0 HD22 ASN A 82 14.908 4.019 8.115 1.00 0.00 H new ATOM 1183 N LEU A 83 16.567 4.111 2.618 1.00 0.00 N ATOM 1184 CA LEU A 83 17.612 3.459 1.836 1.00 0.00 C ATOM 1185 C LEU A 83 17.671 4.029 0.422 1.00 0.00 C ATOM 1186 O LEU A 83 16.796 4.795 0.013 1.00 0.00 O ATOM 1187 CB LEU A 83 17.368 1.950 1.780 1.00 0.00 C ATOM 1188 CG LEU A 83 15.938 1.512 1.463 1.00 0.00 C ATOM 1189 CD1 LEU A 83 15.589 1.833 0.018 1.00 0.00 C ATOM 1190 CD2 LEU A 83 15.761 0.026 1.739 1.00 0.00 C ATOM 0 H LEU A 83 15.687 4.241 2.119 1.00 0.00 H new ATOM 0 HA LEU A 83 18.568 3.649 2.324 1.00 0.00 H new ATOM 0 HB2 LEU A 83 18.032 1.523 1.029 1.00 0.00 H new ATOM 0 HB3 LEU A 83 17.654 1.520 2.740 1.00 0.00 H new ATOM 0 HG LEU A 83 15.258 2.065 2.111 1.00 0.00 H new ATOM 0 HD11 LEU A 83 14.567 1.514 -0.189 1.00 0.00 H new ATOM 0 HD12 LEU A 83 15.674 2.907 -0.147 1.00 0.00 H new ATOM 0 HD13 LEU A 83 16.275 1.308 -0.647 1.00 0.00 H new ATOM 0 HD21 LEU A 83 14.737 -0.268 1.508 1.00 0.00 H new ATOM 0 HD22 LEU A 83 16.451 -0.544 1.117 1.00 0.00 H new ATOM 0 HD23 LEU A 83 15.968 -0.176 2.790 1.00 0.00 H new ATOM 1202 N LEU A 84 18.704 3.649 -0.321 1.00 0.00 N ATOM 1203 CA LEU A 84 18.876 4.121 -1.691 1.00 0.00 C ATOM 1204 C LEU A 84 18.277 3.132 -2.686 1.00 0.00 C ATOM 1205 O LEU A 84 17.864 2.033 -2.313 1.00 0.00 O ATOM 1206 CB LEU A 84 20.360 4.333 -1.996 1.00 0.00 C ATOM 1207 CG LEU A 84 21.115 5.260 -1.043 1.00 0.00 C ATOM 1208 CD1 LEU A 84 22.594 4.907 -1.014 1.00 0.00 C ATOM 1209 CD2 LEU A 84 20.919 6.714 -1.447 1.00 0.00 C ATOM 0 H LEU A 84 19.435 3.015 0.002 1.00 0.00 H new ATOM 0 HA LEU A 84 18.352 5.071 -1.790 1.00 0.00 H new ATOM 0 HB2 LEU A 84 20.854 3.361 -1.993 1.00 0.00 H new ATOM 0 HB3 LEU A 84 20.449 4.732 -3.006 1.00 0.00 H new ATOM 0 HG LEU A 84 20.711 5.125 -0.040 1.00 0.00 H new ATOM 0 HD11 LEU A 84 23.115 5.577 -0.330 1.00 0.00 H new ATOM 0 HD12 LEU A 84 22.716 3.878 -0.676 1.00 0.00 H new ATOM 0 HD13 LEU A 84 23.013 5.012 -2.015 1.00 0.00 H new ATOM 0 HD21 LEU A 84 21.463 7.360 -0.758 1.00 0.00 H new ATOM 0 HD22 LEU A 84 21.295 6.864 -2.459 1.00 0.00 H new ATOM 0 HD23 LEU A 84 19.858 6.961 -1.414 1.00 0.00 H new ATOM 1221 N HIS A 85 18.235 3.529 -3.954 1.00 0.00 N ATOM 1222 CA HIS A 85 17.689 2.676 -5.004 1.00 0.00 C ATOM 1223 C HIS A 85 18.446 1.354 -5.079 1.00 0.00 C ATOM 1224 O HIS A 85 17.842 0.288 -5.195 1.00 0.00 O ATOM 1225 CB HIS A 85 17.752 3.390 -6.354 1.00 0.00 C ATOM 1226 CG HIS A 85 17.190 2.584 -7.485 1.00 0.00 C ATOM 1227 ND1 HIS A 85 15.857 2.246 -7.578 1.00 0.00 N ATOM 1228 CD2 HIS A 85 17.790 2.050 -8.575 1.00 0.00 C ATOM 1229 CE1 HIS A 85 15.660 1.537 -8.676 1.00 0.00 C ATOM 1230 NE2 HIS A 85 16.818 1.405 -9.299 1.00 0.00 N ATOM 0 H HIS A 85 18.572 4.435 -4.279 1.00 0.00 H new ATOM 0 HA HIS A 85 16.648 2.465 -4.761 1.00 0.00 H new ATOM 0 HB2 HIS A 85 17.207 4.331 -6.284 1.00 0.00 H new ATOM 0 HB3 HIS A 85 18.790 3.638 -6.576 1.00 0.00 H new ATOM 0 HD2 HIS A 85 18.838 2.119 -8.828 1.00 0.00 H new ATOM 0 HE1 HIS A 85 14.714 1.134 -9.007 1.00 0.00 H new ATOM 0 HE2 HIS A 85 16.966 0.905 -10.176 1.00 0.00 H new ATOM 1238 N GLN A 86 19.771 1.432 -5.012 1.00 0.00 N ATOM 1239 CA GLN A 86 20.610 0.241 -5.074 1.00 0.00 C ATOM 1240 C GLN A 86 20.402 -0.636 -3.844 1.00 0.00 C ATOM 1241 O GLN A 86 20.455 -1.863 -3.928 1.00 0.00 O ATOM 1242 CB GLN A 86 22.084 0.635 -5.190 1.00 0.00 C ATOM 1243 CG GLN A 86 23.035 -0.550 -5.150 1.00 0.00 C ATOM 1244 CD GLN A 86 23.034 -1.343 -6.443 1.00 0.00 C ATOM 1245 OE1 GLN A 86 23.723 -0.991 -7.401 1.00 0.00 O ATOM 1246 NE2 GLN A 86 22.259 -2.421 -6.476 1.00 0.00 N ATOM 0 H GLN A 86 20.286 2.307 -4.915 1.00 0.00 H new ATOM 0 HA GLN A 86 20.323 -0.329 -5.957 1.00 0.00 H new ATOM 0 HB2 GLN A 86 22.234 1.179 -6.122 1.00 0.00 H new ATOM 0 HB3 GLN A 86 22.334 1.318 -4.378 1.00 0.00 H new ATOM 0 HG2 GLN A 86 24.045 -0.194 -4.947 1.00 0.00 H new ATOM 0 HG3 GLN A 86 22.757 -1.206 -4.325 1.00 0.00 H new ATOM 0 HE21 GLN A 86 21.705 -2.676 -5.659 1.00 0.00 H new ATOM 0 HE22 GLN A 86 22.218 -2.994 -7.319 1.00 0.00 H new ATOM 1255 N ASP A 87 20.165 0.001 -2.702 1.00 0.00 N ATOM 1256 CA ASP A 87 19.948 -0.722 -1.454 1.00 0.00 C ATOM 1257 C ASP A 87 18.776 -1.690 -1.584 1.00 0.00 C ATOM 1258 O ASP A 87 18.872 -2.851 -1.187 1.00 0.00 O ATOM 1259 CB ASP A 87 19.690 0.260 -0.310 1.00 0.00 C ATOM 1260 CG ASP A 87 20.973 0.785 0.302 1.00 0.00 C ATOM 1261 OD1 ASP A 87 21.506 1.793 -0.209 1.00 0.00 O ATOM 1262 OD2 ASP A 87 21.445 0.190 1.293 1.00 0.00 O ATOM 0 H ASP A 87 20.118 1.016 -2.615 1.00 0.00 H new ATOM 0 HA ASP A 87 20.848 -1.296 -1.234 1.00 0.00 H new ATOM 0 HB2 ASP A 87 19.098 1.097 -0.680 1.00 0.00 H new ATOM 0 HB3 ASP A 87 19.098 -0.233 0.461 1.00 0.00 H new ATOM 1267 N ALA A 88 17.672 -1.204 -2.141 1.00 0.00 N ATOM 1268 CA ALA A 88 16.483 -2.027 -2.323 1.00 0.00 C ATOM 1269 C ALA A 88 16.703 -3.078 -3.405 1.00 0.00 C ATOM 1270 O ALA A 88 16.480 -4.268 -3.183 1.00 0.00 O ATOM 1271 CB ALA A 88 15.285 -1.154 -2.669 1.00 0.00 C ATOM 0 H ALA A 88 17.576 -0.245 -2.474 1.00 0.00 H new ATOM 0 HA ALA A 88 16.283 -2.545 -1.385 1.00 0.00 H new ATOM 0 HB1 ALA A 88 14.404 -1.782 -2.802 1.00 0.00 H new ATOM 0 HB2 ALA A 88 15.106 -0.444 -1.861 1.00 0.00 H new ATOM 0 HB3 ALA A 88 15.486 -0.610 -3.592 1.00 0.00 H new ATOM 1277 N VAL A 89 17.142 -2.631 -4.578 1.00 0.00 N ATOM 1278 CA VAL A 89 17.393 -3.534 -5.695 1.00 0.00 C ATOM 1279 C VAL A 89 18.288 -4.693 -5.274 1.00 0.00 C ATOM 1280 O VAL A 89 18.001 -5.853 -5.572 1.00 0.00 O ATOM 1281 CB VAL A 89 18.049 -2.795 -6.877 1.00 0.00 C ATOM 1282 CG1 VAL A 89 18.359 -3.765 -8.007 1.00 0.00 C ATOM 1283 CG2 VAL A 89 17.154 -1.666 -7.363 1.00 0.00 C ATOM 0 H VAL A 89 17.331 -1.649 -4.779 1.00 0.00 H new ATOM 0 HA VAL A 89 16.425 -3.923 -6.012 1.00 0.00 H new ATOM 0 HB VAL A 89 18.988 -2.361 -6.535 1.00 0.00 H new ATOM 0 HG11 VAL A 89 18.822 -3.225 -8.833 1.00 0.00 H new ATOM 0 HG12 VAL A 89 19.042 -4.535 -7.648 1.00 0.00 H new ATOM 0 HG13 VAL A 89 17.435 -4.231 -8.350 1.00 0.00 H new ATOM 0 HG21 VAL A 89 17.634 -1.155 -8.198 1.00 0.00 H new ATOM 0 HG22 VAL A 89 16.197 -2.075 -7.689 1.00 0.00 H new ATOM 0 HG23 VAL A 89 16.989 -0.958 -6.551 1.00 0.00 H new ATOM 1293 N ASP A 90 19.374 -4.373 -4.579 1.00 0.00 N ATOM 1294 CA ASP A 90 20.312 -5.388 -4.115 1.00 0.00 C ATOM 1295 C ASP A 90 19.641 -6.336 -3.125 1.00 0.00 C ATOM 1296 O ASP A 90 19.602 -7.548 -3.339 1.00 0.00 O ATOM 1297 CB ASP A 90 21.529 -4.730 -3.463 1.00 0.00 C ATOM 1298 CG ASP A 90 22.798 -5.536 -3.660 1.00 0.00 C ATOM 1299 OD1 ASP A 90 23.167 -5.787 -4.826 1.00 0.00 O ATOM 1300 OD2 ASP A 90 23.422 -5.915 -2.647 1.00 0.00 O ATOM 0 H ASP A 90 19.626 -3.418 -4.325 1.00 0.00 H new ATOM 0 HA ASP A 90 20.640 -5.965 -4.979 1.00 0.00 H new ATOM 0 HB2 ASP A 90 21.667 -3.733 -3.881 1.00 0.00 H new ATOM 0 HB3 ASP A 90 21.343 -4.605 -2.396 1.00 0.00 H new ATOM 1305 N LEU A 91 19.115 -5.776 -2.042 1.00 0.00 N ATOM 1306 CA LEU A 91 18.446 -6.571 -1.018 1.00 0.00 C ATOM 1307 C LEU A 91 17.602 -7.673 -1.649 1.00 0.00 C ATOM 1308 O LEU A 91 17.644 -8.826 -1.218 1.00 0.00 O ATOM 1309 CB LEU A 91 17.565 -5.676 -0.144 1.00 0.00 C ATOM 1310 CG LEU A 91 16.732 -6.389 0.922 1.00 0.00 C ATOM 1311 CD1 LEU A 91 16.544 -5.497 2.139 1.00 0.00 C ATOM 1312 CD2 LEU A 91 15.384 -6.809 0.353 1.00 0.00 C ATOM 0 H LEU A 91 19.139 -4.775 -1.850 1.00 0.00 H new ATOM 0 HA LEU A 91 19.211 -7.036 -0.397 1.00 0.00 H new ATOM 0 HB2 LEU A 91 18.203 -4.945 0.352 1.00 0.00 H new ATOM 0 HB3 LEU A 91 16.889 -5.121 -0.794 1.00 0.00 H new ATOM 0 HG LEU A 91 17.268 -7.285 1.234 1.00 0.00 H new ATOM 0 HD11 LEU A 91 15.949 -6.022 2.886 1.00 0.00 H new ATOM 0 HD12 LEU A 91 17.518 -5.247 2.561 1.00 0.00 H new ATOM 0 HD13 LEU A 91 16.031 -4.582 1.844 1.00 0.00 H new ATOM 0 HD21 LEU A 91 14.805 -7.315 1.125 1.00 0.00 H new ATOM 0 HD22 LEU A 91 14.842 -5.927 0.012 1.00 0.00 H new ATOM 0 HD23 LEU A 91 15.539 -7.487 -0.487 1.00 0.00 H new ATOM 1324 N PHE A 92 16.837 -7.312 -2.674 1.00 0.00 N ATOM 1325 CA PHE A 92 15.984 -8.271 -3.367 1.00 0.00 C ATOM 1326 C PHE A 92 16.793 -9.471 -3.849 1.00 0.00 C ATOM 1327 O PHE A 92 16.450 -10.619 -3.567 1.00 0.00 O ATOM 1328 CB PHE A 92 15.287 -7.601 -4.553 1.00 0.00 C ATOM 1329 CG PHE A 92 14.198 -6.648 -4.149 1.00 0.00 C ATOM 1330 CD1 PHE A 92 14.085 -6.222 -2.836 1.00 0.00 C ATOM 1331 CD2 PHE A 92 13.289 -6.179 -5.083 1.00 0.00 C ATOM 1332 CE1 PHE A 92 13.084 -5.345 -2.461 1.00 0.00 C ATOM 1333 CE2 PHE A 92 12.287 -5.302 -4.715 1.00 0.00 C ATOM 1334 CZ PHE A 92 12.184 -4.885 -3.402 1.00 0.00 C ATOM 0 H PHE A 92 16.790 -6.362 -3.043 1.00 0.00 H new ATOM 0 HA PHE A 92 15.230 -8.624 -2.663 1.00 0.00 H new ATOM 0 HB2 PHE A 92 16.029 -7.063 -5.143 1.00 0.00 H new ATOM 0 HB3 PHE A 92 14.864 -8.371 -5.198 1.00 0.00 H new ATOM 0 HD1 PHE A 92 14.787 -6.579 -2.097 1.00 0.00 H new ATOM 0 HD2 PHE A 92 13.364 -6.503 -6.111 1.00 0.00 H new ATOM 0 HE1 PHE A 92 13.006 -5.020 -1.434 1.00 0.00 H new ATOM 0 HE2 PHE A 92 11.585 -4.943 -5.453 1.00 0.00 H new ATOM 0 HZ PHE A 92 11.401 -4.200 -3.112 1.00 0.00 H new ATOM 1344 N ARG A 93 17.870 -9.196 -4.578 1.00 0.00 N ATOM 1345 CA ARG A 93 18.728 -10.252 -5.101 1.00 0.00 C ATOM 1346 C ARG A 93 19.123 -11.229 -3.997 1.00 0.00 C ATOM 1347 O ARG A 93 19.171 -12.439 -4.214 1.00 0.00 O ATOM 1348 CB ARG A 93 19.983 -9.651 -5.737 1.00 0.00 C ATOM 1349 CG ARG A 93 19.688 -8.702 -6.887 1.00 0.00 C ATOM 1350 CD ARG A 93 20.890 -7.829 -7.211 1.00 0.00 C ATOM 1351 NE ARG A 93 21.899 -8.551 -7.981 1.00 0.00 N ATOM 1352 CZ ARG A 93 21.732 -8.924 -9.245 1.00 0.00 C ATOM 1353 NH1 ARG A 93 20.601 -8.644 -9.878 1.00 0.00 N ATOM 1354 NH2 ARG A 93 22.697 -9.578 -9.878 1.00 0.00 N ATOM 0 H ARG A 93 18.169 -8.251 -4.820 1.00 0.00 H new ATOM 0 HA ARG A 93 18.168 -10.796 -5.862 1.00 0.00 H new ATOM 0 HB2 ARG A 93 20.548 -9.117 -4.972 1.00 0.00 H new ATOM 0 HB3 ARG A 93 20.620 -10.459 -6.098 1.00 0.00 H new ATOM 0 HG2 ARG A 93 19.405 -9.275 -7.770 1.00 0.00 H new ATOM 0 HG3 ARG A 93 18.837 -8.071 -6.630 1.00 0.00 H new ATOM 0 HD2 ARG A 93 20.562 -6.955 -7.773 1.00 0.00 H new ATOM 0 HD3 ARG A 93 21.333 -7.464 -6.284 1.00 0.00 H new ATOM 0 HE ARG A 93 22.781 -8.782 -7.523 1.00 0.00 H new ATOM 0 HH11 ARG A 93 19.857 -8.141 -9.394 1.00 0.00 H new ATOM 0 HH12 ARG A 93 20.475 -8.931 -10.849 1.00 0.00 H new ATOM 0 HH21 ARG A 93 23.568 -9.795 -9.394 1.00 0.00 H new ATOM 0 HH22 ARG A 93 22.568 -9.864 -10.849 1.00 0.00 H new ATOM 1368 N ASN A 94 19.404 -10.694 -2.813 1.00 0.00 N ATOM 1369 CA ASN A 94 19.796 -11.518 -1.676 1.00 0.00 C ATOM 1370 C ASN A 94 18.671 -12.470 -1.281 1.00 0.00 C ATOM 1371 O ASN A 94 18.912 -13.632 -0.956 1.00 0.00 O ATOM 1372 CB ASN A 94 20.173 -10.635 -0.485 1.00 0.00 C ATOM 1373 CG ASN A 94 20.445 -11.441 0.770 1.00 0.00 C ATOM 1374 OD1 ASN A 94 21.108 -12.478 0.724 1.00 0.00 O ATOM 1375 ND2 ASN A 94 19.932 -10.968 1.900 1.00 0.00 N ATOM 0 H ASN A 94 19.367 -9.694 -2.616 1.00 0.00 H new ATOM 0 HA ASN A 94 20.663 -12.110 -1.970 1.00 0.00 H new ATOM 0 HB2 ASN A 94 21.057 -10.049 -0.736 1.00 0.00 H new ATOM 0 HB3 ASN A 94 19.367 -9.927 -0.291 1.00 0.00 H new ATOM 0 HD21 ASN A 94 20.081 -11.468 2.776 1.00 0.00 H new ATOM 0 HD22 ASN A 94 19.389 -10.105 1.891 1.00 0.00 H new ATOM 1382 N ALA A 95 17.440 -11.968 -1.312 1.00 0.00 N ATOM 1383 CA ALA A 95 16.278 -12.774 -0.960 1.00 0.00 C ATOM 1384 C ALA A 95 16.470 -14.228 -1.377 1.00 0.00 C ATOM 1385 O ALA A 95 16.252 -15.145 -0.587 1.00 0.00 O ATOM 1386 CB ALA A 95 15.024 -12.200 -1.603 1.00 0.00 C ATOM 0 H ALA A 95 17.223 -11.007 -1.577 1.00 0.00 H new ATOM 0 HA ALA A 95 16.163 -12.747 0.124 1.00 0.00 H new ATOM 0 HB1 ALA A 95 14.163 -12.812 -1.332 1.00 0.00 H new ATOM 0 HB2 ALA A 95 14.869 -11.180 -1.252 1.00 0.00 H new ATOM 0 HB3 ALA A 95 15.140 -12.197 -2.687 1.00 0.00 H new ATOM 1392 N GLY A 96 16.881 -14.431 -2.625 1.00 0.00 N ATOM 1393 CA GLY A 96 17.095 -15.776 -3.126 1.00 0.00 C ATOM 1394 C GLY A 96 15.887 -16.321 -3.861 1.00 0.00 C ATOM 1395 O GLY A 96 15.049 -15.558 -4.343 1.00 0.00 O ATOM 0 H GLY A 96 17.070 -13.688 -3.298 1.00 0.00 H new ATOM 0 HA2 GLY A 96 17.955 -15.778 -3.796 1.00 0.00 H new ATOM 0 HA3 GLY A 96 17.338 -16.436 -2.293 1.00 0.00 H new ATOM 1399 N TYR A 97 15.796 -17.643 -3.949 1.00 0.00 N ATOM 1400 CA TYR A 97 14.683 -18.289 -4.634 1.00 0.00 C ATOM 1401 C TYR A 97 13.353 -17.673 -4.213 1.00 0.00 C ATOM 1402 O TYR A 97 12.700 -16.984 -4.996 1.00 0.00 O ATOM 1403 CB TYR A 97 14.679 -19.791 -4.341 1.00 0.00 C ATOM 1404 CG TYR A 97 13.659 -20.562 -5.148 1.00 0.00 C ATOM 1405 CD1 TYR A 97 13.715 -20.584 -6.536 1.00 0.00 C ATOM 1406 CD2 TYR A 97 12.638 -21.268 -4.522 1.00 0.00 C ATOM 1407 CE1 TYR A 97 12.785 -21.287 -7.278 1.00 0.00 C ATOM 1408 CE2 TYR A 97 11.705 -21.974 -5.256 1.00 0.00 C ATOM 1409 CZ TYR A 97 11.782 -21.981 -6.633 1.00 0.00 C ATOM 1410 OH TYR A 97 10.853 -22.682 -7.367 1.00 0.00 O ATOM 0 H TYR A 97 16.480 -18.289 -3.554 1.00 0.00 H new ATOM 0 HA TYR A 97 14.810 -18.135 -5.706 1.00 0.00 H new ATOM 0 HB2 TYR A 97 15.671 -20.195 -4.544 1.00 0.00 H new ATOM 0 HB3 TYR A 97 14.483 -19.945 -3.280 1.00 0.00 H new ATOM 0 HD1 TYR A 97 14.499 -20.042 -7.044 1.00 0.00 H new ATOM 0 HD2 TYR A 97 12.573 -21.264 -3.444 1.00 0.00 H new ATOM 0 HE1 TYR A 97 12.843 -21.293 -8.356 1.00 0.00 H new ATOM 0 HE2 TYR A 97 10.919 -22.518 -4.754 1.00 0.00 H new ATOM 0 HH TYR A 97 10.216 -23.115 -6.761 1.00 0.00 H new ATOM 1420 N ALA A 98 12.957 -17.928 -2.970 1.00 0.00 N ATOM 1421 CA ALA A 98 11.707 -17.397 -2.442 1.00 0.00 C ATOM 1422 C ALA A 98 11.852 -15.928 -2.060 1.00 0.00 C ATOM 1423 O ALA A 98 12.580 -15.587 -1.128 1.00 0.00 O ATOM 1424 CB ALA A 98 11.251 -18.214 -1.242 1.00 0.00 C ATOM 0 H ALA A 98 13.485 -18.499 -2.310 1.00 0.00 H new ATOM 0 HA ALA A 98 10.952 -17.469 -3.225 1.00 0.00 H new ATOM 0 HB1 ALA A 98 10.316 -17.806 -0.858 1.00 0.00 H new ATOM 0 HB2 ALA A 98 11.098 -19.250 -1.544 1.00 0.00 H new ATOM 0 HB3 ALA A 98 12.012 -18.172 -0.463 1.00 0.00 H new ATOM 1430 N VAL A 99 11.154 -15.060 -2.786 1.00 0.00 N ATOM 1431 CA VAL A 99 11.205 -13.627 -2.523 1.00 0.00 C ATOM 1432 C VAL A 99 9.867 -13.117 -1.997 1.00 0.00 C ATOM 1433 O VAL A 99 8.898 -13.001 -2.747 1.00 0.00 O ATOM 1434 CB VAL A 99 11.581 -12.837 -3.790 1.00 0.00 C ATOM 1435 CG1 VAL A 99 11.848 -11.378 -3.450 1.00 0.00 C ATOM 1436 CG2 VAL A 99 12.788 -13.464 -4.470 1.00 0.00 C ATOM 0 H VAL A 99 10.546 -15.325 -3.561 1.00 0.00 H new ATOM 0 HA VAL A 99 11.973 -13.471 -1.766 1.00 0.00 H new ATOM 0 HB VAL A 99 10.741 -12.876 -4.484 1.00 0.00 H new ATOM 0 HG11 VAL A 99 12.112 -10.835 -4.358 1.00 0.00 H new ATOM 0 HG12 VAL A 99 10.953 -10.937 -3.011 1.00 0.00 H new ATOM 0 HG13 VAL A 99 12.670 -11.315 -2.737 1.00 0.00 H new ATOM 0 HG21 VAL A 99 13.040 -12.893 -5.364 1.00 0.00 H new ATOM 0 HG22 VAL A 99 13.636 -13.458 -3.785 1.00 0.00 H new ATOM 0 HG23 VAL A 99 12.555 -14.491 -4.750 1.00 0.00 H new ATOM 1446 N SER A 100 9.823 -12.814 -0.704 1.00 0.00 N ATOM 1447 CA SER A 100 8.603 -12.320 -0.076 1.00 0.00 C ATOM 1448 C SER A 100 8.525 -10.799 -0.166 1.00 0.00 C ATOM 1449 O SER A 100 9.429 -10.091 0.279 1.00 0.00 O ATOM 1450 CB SER A 100 8.544 -12.759 1.388 1.00 0.00 C ATOM 1451 OG SER A 100 8.121 -14.107 1.499 1.00 0.00 O ATOM 0 H SER A 100 10.618 -12.902 -0.071 1.00 0.00 H new ATOM 0 HA SER A 100 7.752 -12.743 -0.609 1.00 0.00 H new ATOM 0 HB2 SER A 100 9.527 -12.644 1.845 1.00 0.00 H new ATOM 0 HB3 SER A 100 7.859 -12.113 1.937 1.00 0.00 H new ATOM 0 HG SER A 100 7.949 -14.471 0.605 1.00 0.00 H new ATOM 1457 N LEU A 101 7.437 -10.302 -0.745 1.00 0.00 N ATOM 1458 CA LEU A 101 7.238 -8.865 -0.895 1.00 0.00 C ATOM 1459 C LEU A 101 5.855 -8.452 -0.402 1.00 0.00 C ATOM 1460 O LEU A 101 4.839 -8.827 -0.988 1.00 0.00 O ATOM 1461 CB LEU A 101 7.414 -8.455 -2.358 1.00 0.00 C ATOM 1462 CG LEU A 101 8.580 -9.107 -3.102 1.00 0.00 C ATOM 1463 CD1 LEU A 101 8.360 -9.037 -4.605 1.00 0.00 C ATOM 1464 CD2 LEU A 101 9.894 -8.442 -2.722 1.00 0.00 C ATOM 0 H LEU A 101 6.679 -10.874 -1.118 1.00 0.00 H new ATOM 0 HA LEU A 101 7.987 -8.355 -0.289 1.00 0.00 H new ATOM 0 HB2 LEU A 101 6.493 -8.687 -2.893 1.00 0.00 H new ATOM 0 HB3 LEU A 101 7.543 -7.373 -2.398 1.00 0.00 H new ATOM 0 HG LEU A 101 8.630 -10.156 -2.811 1.00 0.00 H new ATOM 0 HD11 LEU A 101 9.200 -9.506 -5.118 1.00 0.00 H new ATOM 0 HD12 LEU A 101 7.439 -9.561 -4.863 1.00 0.00 H new ATOM 0 HD13 LEU A 101 8.283 -7.994 -4.913 1.00 0.00 H new ATOM 0 HD21 LEU A 101 10.712 -8.919 -3.261 1.00 0.00 H new ATOM 0 HD22 LEU A 101 9.855 -7.384 -2.983 1.00 0.00 H new ATOM 0 HD23 LEU A 101 10.057 -8.545 -1.649 1.00 0.00 H new ATOM 1476 N ARG A 102 5.823 -7.678 0.678 1.00 0.00 N ATOM 1477 CA ARG A 102 4.565 -7.213 1.248 1.00 0.00 C ATOM 1478 C ARG A 102 4.163 -5.866 0.656 1.00 0.00 C ATOM 1479 O ARG A 102 4.677 -4.821 1.057 1.00 0.00 O ATOM 1480 CB ARG A 102 4.682 -7.099 2.769 1.00 0.00 C ATOM 1481 CG ARG A 102 3.341 -6.993 3.477 1.00 0.00 C ATOM 1482 CD ARG A 102 3.515 -6.724 4.964 1.00 0.00 C ATOM 1483 NE ARG A 102 3.614 -7.960 5.736 1.00 0.00 N ATOM 1484 CZ ARG A 102 4.007 -8.005 7.004 1.00 0.00 C ATOM 1485 NH1 ARG A 102 4.336 -6.889 7.639 1.00 0.00 N ATOM 1486 NH2 ARG A 102 4.071 -9.168 7.639 1.00 0.00 N ATOM 0 H ARG A 102 6.655 -7.360 1.176 1.00 0.00 H new ATOM 0 HA ARG A 102 3.793 -7.942 1.002 1.00 0.00 H new ATOM 0 HB2 ARG A 102 5.217 -7.969 3.150 1.00 0.00 H new ATOM 0 HB3 ARG A 102 5.283 -6.223 3.014 1.00 0.00 H new ATOM 0 HG2 ARG A 102 2.754 -6.192 3.028 1.00 0.00 H new ATOM 0 HG3 ARG A 102 2.780 -7.917 3.337 1.00 0.00 H new ATOM 0 HD2 ARG A 102 4.412 -6.125 5.122 1.00 0.00 H new ATOM 0 HD3 ARG A 102 2.672 -6.136 5.327 1.00 0.00 H new ATOM 0 HE ARG A 102 3.368 -8.837 5.276 1.00 0.00 H new ATOM 0 HH11 ARG A 102 4.288 -5.993 7.154 1.00 0.00 H new ATOM 0 HH12 ARG A 102 4.637 -6.926 8.613 1.00 0.00 H new ATOM 0 HH21 ARG A 102 3.818 -10.029 7.154 1.00 0.00 H new ATOM 0 HH22 ARG A 102 4.373 -9.201 8.613 1.00 0.00 H new ATOM 1500 N VAL A 103 3.242 -5.897 -0.302 1.00 0.00 N ATOM 1501 CA VAL A 103 2.771 -4.679 -0.950 1.00 0.00 C ATOM 1502 C VAL A 103 1.413 -4.256 -0.404 1.00 0.00 C ATOM 1503 O VAL A 103 0.695 -5.060 0.191 1.00 0.00 O ATOM 1504 CB VAL A 103 2.665 -4.860 -2.476 1.00 0.00 C ATOM 1505 CG1 VAL A 103 3.998 -5.309 -3.055 1.00 0.00 C ATOM 1506 CG2 VAL A 103 1.564 -5.852 -2.819 1.00 0.00 C ATOM 0 H VAL A 103 2.807 -6.753 -0.647 1.00 0.00 H new ATOM 0 HA VAL A 103 3.504 -3.902 -0.734 1.00 0.00 H new ATOM 0 HB VAL A 103 2.409 -3.899 -2.921 1.00 0.00 H new ATOM 0 HG11 VAL A 103 3.903 -5.432 -4.134 1.00 0.00 H new ATOM 0 HG12 VAL A 103 4.759 -4.559 -2.840 1.00 0.00 H new ATOM 0 HG13 VAL A 103 4.288 -6.259 -2.606 1.00 0.00 H new ATOM 0 HG21 VAL A 103 1.503 -5.968 -3.901 1.00 0.00 H new ATOM 0 HG22 VAL A 103 1.788 -6.816 -2.363 1.00 0.00 H new ATOM 0 HG23 VAL A 103 0.611 -5.484 -2.439 1.00 0.00 H new ATOM 1516 N GLN A 104 1.066 -2.989 -0.609 1.00 0.00 N ATOM 1517 CA GLN A 104 -0.207 -2.459 -0.136 1.00 0.00 C ATOM 1518 C GLN A 104 -1.084 -2.025 -1.306 1.00 0.00 C ATOM 1519 O GLN A 104 -0.667 -1.224 -2.144 1.00 0.00 O ATOM 1520 CB GLN A 104 0.027 -1.279 0.808 1.00 0.00 C ATOM 1521 CG GLN A 104 -1.244 -0.762 1.462 1.00 0.00 C ATOM 1522 CD GLN A 104 -0.993 -0.159 2.830 1.00 0.00 C ATOM 1523 OE1 GLN A 104 -1.817 -0.284 3.737 1.00 0.00 O ATOM 1524 NE2 GLN A 104 0.150 0.499 2.987 1.00 0.00 N ATOM 0 H GLN A 104 1.649 -2.311 -1.100 1.00 0.00 H new ATOM 0 HA GLN A 104 -0.723 -3.251 0.406 1.00 0.00 H new ATOM 0 HB2 GLN A 104 0.729 -1.580 1.585 1.00 0.00 H new ATOM 0 HB3 GLN A 104 0.496 -0.467 0.252 1.00 0.00 H new ATOM 0 HG2 GLN A 104 -1.701 -0.012 0.817 1.00 0.00 H new ATOM 0 HG3 GLN A 104 -1.959 -1.580 1.555 1.00 0.00 H new ATOM 0 HE21 GLN A 104 0.804 0.578 2.208 1.00 0.00 H new ATOM 0 HE22 GLN A 104 0.374 0.925 3.886 1.00 0.00 H new ATOM 1533 N HIS A 105 -2.301 -2.557 -1.357 1.00 0.00 N ATOM 1534 CA HIS A 105 -3.237 -2.224 -2.425 1.00 0.00 C ATOM 1535 C HIS A 105 -4.242 -1.175 -1.958 1.00 0.00 C ATOM 1536 O HIS A 105 -4.933 -1.366 -0.957 1.00 0.00 O ATOM 1537 CB HIS A 105 -3.973 -3.478 -2.897 1.00 0.00 C ATOM 1538 CG HIS A 105 -3.100 -4.693 -2.968 1.00 0.00 C ATOM 1539 ND1 HIS A 105 -2.302 -4.983 -4.054 1.00 0.00 N ATOM 1540 CD2 HIS A 105 -2.902 -5.694 -2.079 1.00 0.00 C ATOM 1541 CE1 HIS A 105 -1.652 -6.111 -3.831 1.00 0.00 C ATOM 1542 NE2 HIS A 105 -1.998 -6.563 -2.639 1.00 0.00 N ATOM 0 H HIS A 105 -2.662 -3.220 -0.671 1.00 0.00 H new ATOM 0 HA HIS A 105 -2.668 -1.812 -3.258 1.00 0.00 H new ATOM 0 HB2 HIS A 105 -4.805 -3.677 -2.221 1.00 0.00 H new ATOM 0 HB3 HIS A 105 -4.400 -3.290 -3.882 1.00 0.00 H new ATOM 0 HD1 HIS A 105 -2.225 -4.415 -4.898 1.00 0.00 H new ATOM 0 HD2 HIS A 105 -3.368 -5.791 -1.110 1.00 0.00 H new ATOM 0 HE1 HIS A 105 -0.956 -6.583 -4.508 1.00 0.00 H new ATOM 1550 N ARG A 106 -4.317 -0.068 -2.689 1.00 0.00 N ATOM 1551 CA ARG A 106 -5.236 1.012 -2.348 1.00 0.00 C ATOM 1552 C ARG A 106 -6.575 0.830 -3.057 1.00 0.00 C ATOM 1553 O ARG A 106 -6.630 0.713 -4.282 1.00 0.00 O ATOM 1554 CB ARG A 106 -4.628 2.365 -2.722 1.00 0.00 C ATOM 1555 CG ARG A 106 -3.111 2.396 -2.636 1.00 0.00 C ATOM 1556 CD ARG A 106 -2.471 2.177 -3.997 1.00 0.00 C ATOM 1557 NE ARG A 106 -2.115 0.777 -4.216 1.00 0.00 N ATOM 1558 CZ ARG A 106 -1.986 0.231 -5.419 1.00 0.00 C ATOM 1559 NH1 ARG A 106 -2.183 0.962 -6.508 1.00 0.00 N ATOM 1560 NH2 ARG A 106 -1.660 -1.050 -5.537 1.00 0.00 N ATOM 0 H ARG A 106 -3.753 0.105 -3.521 1.00 0.00 H new ATOM 0 HA ARG A 106 -5.407 0.984 -1.272 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -4.931 2.622 -3.737 1.00 0.00 H new ATOM 0 HB3 ARG A 106 -5.036 3.132 -2.064 1.00 0.00 H new ATOM 0 HG2 ARG A 106 -2.788 3.355 -2.231 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -2.769 1.626 -1.944 1.00 0.00 H new ATOM 0 HD2 ARG A 106 -3.159 2.502 -4.778 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -1.578 2.796 -4.081 1.00 0.00 H new ATOM 0 HE ARG A 106 -1.957 0.187 -3.399 1.00 0.00 H new ATOM 0 HH11 ARG A 106 -2.434 1.947 -6.423 1.00 0.00 H new ATOM 0 HH12 ARG A 106 -2.083 0.539 -7.431 1.00 0.00 H new ATOM 0 HH21 ARG A 106 -1.508 -1.617 -4.703 1.00 0.00 H new ATOM 0 HH22 ARG A 106 -1.561 -1.468 -6.462 1.00 0.00 H new ATOM 1574 N LEU A 107 -7.652 0.807 -2.280 1.00 0.00 N ATOM 1575 CA LEU A 107 -8.991 0.639 -2.833 1.00 0.00 C ATOM 1576 C LEU A 107 -9.859 1.859 -2.538 1.00 0.00 C ATOM 1577 O LEU A 107 -9.936 2.316 -1.398 1.00 0.00 O ATOM 1578 CB LEU A 107 -9.647 -0.618 -2.259 1.00 0.00 C ATOM 1579 CG LEU A 107 -9.169 -1.949 -2.840 1.00 0.00 C ATOM 1580 CD1 LEU A 107 -9.834 -2.216 -4.181 1.00 0.00 C ATOM 1581 CD2 LEU A 107 -7.654 -1.955 -2.984 1.00 0.00 C ATOM 0 H LEU A 107 -7.624 0.903 -1.265 1.00 0.00 H new ATOM 0 HA LEU A 107 -8.900 0.533 -3.914 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -9.478 -0.633 -1.182 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -10.724 -0.544 -2.411 1.00 0.00 H new ATOM 0 HG LEU A 107 -9.452 -2.746 -2.152 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -9.481 -3.168 -4.579 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -10.915 -2.256 -4.049 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -9.583 -1.416 -4.877 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -7.332 -2.910 -3.399 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -7.349 -1.148 -3.650 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -7.195 -1.811 -2.006 1.00 0.00 H new ATOM 1593 N GLN A 108 -10.511 2.378 -3.573 1.00 0.00 N ATOM 1594 CA GLN A 108 -11.375 3.544 -3.424 1.00 0.00 C ATOM 1595 C GLN A 108 -12.660 3.178 -2.689 1.00 0.00 C ATOM 1596 O GLN A 108 -13.360 2.240 -3.070 1.00 0.00 O ATOM 1597 CB GLN A 108 -11.707 4.137 -4.794 1.00 0.00 C ATOM 1598 CG GLN A 108 -12.698 5.288 -4.734 1.00 0.00 C ATOM 1599 CD GLN A 108 -12.991 5.877 -6.100 1.00 0.00 C ATOM 1600 OE1 GLN A 108 -12.245 6.720 -6.598 1.00 0.00 O ATOM 1601 NE2 GLN A 108 -14.083 5.435 -6.714 1.00 0.00 N ATOM 0 H GLN A 108 -10.458 2.010 -4.523 1.00 0.00 H new ATOM 0 HA GLN A 108 -10.841 4.289 -2.834 1.00 0.00 H new ATOM 0 HB2 GLN A 108 -10.787 4.485 -5.263 1.00 0.00 H new ATOM 0 HB3 GLN A 108 -12.113 3.352 -5.432 1.00 0.00 H new ATOM 0 HG2 GLN A 108 -13.628 4.939 -4.286 1.00 0.00 H new ATOM 0 HG3 GLN A 108 -12.304 6.068 -4.083 1.00 0.00 H new ATOM 0 HE21 GLN A 108 -14.673 4.735 -6.264 1.00 0.00 H new ATOM 0 HE22 GLN A 108 -14.331 5.795 -7.635 1.00 0.00 H new ATOM 1610 N VAL A 109 -12.965 3.925 -1.632 1.00 0.00 N ATOM 1611 CA VAL A 109 -14.166 3.681 -0.844 1.00 0.00 C ATOM 1612 C VAL A 109 -15.223 4.747 -1.108 1.00 0.00 C ATOM 1613 O VAL A 109 -15.261 5.777 -0.434 1.00 0.00 O ATOM 1614 CB VAL A 109 -13.852 3.647 0.663 1.00 0.00 C ATOM 1615 CG1 VAL A 109 -15.125 3.443 1.470 1.00 0.00 C ATOM 1616 CG2 VAL A 109 -12.836 2.558 0.971 1.00 0.00 C ATOM 0 H VAL A 109 -12.396 4.705 -1.302 1.00 0.00 H new ATOM 0 HA VAL A 109 -14.552 2.708 -1.149 1.00 0.00 H new ATOM 0 HB VAL A 109 -13.420 4.606 0.948 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -14.883 3.422 2.533 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -15.817 4.262 1.272 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -15.589 2.499 1.185 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -12.626 2.548 2.041 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -13.238 1.590 0.671 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -11.915 2.754 0.422 1.00 0.00 H new ATOM 1626 N GLN A 110 -16.080 4.493 -2.092 1.00 0.00 N ATOM 1627 CA GLN A 110 -17.138 5.432 -2.445 1.00 0.00 C ATOM 1628 C GLN A 110 -18.201 5.489 -1.353 1.00 0.00 C ATOM 1629 O GLN A 110 -18.589 6.568 -0.907 1.00 0.00 O ATOM 1630 CB GLN A 110 -17.778 5.036 -3.776 1.00 0.00 C ATOM 1631 CG GLN A 110 -16.799 5.012 -4.939 1.00 0.00 C ATOM 1632 CD GLN A 110 -17.491 5.068 -6.286 1.00 0.00 C ATOM 1633 OE1 GLN A 110 -17.824 6.144 -6.782 1.00 0.00 O ATOM 1634 NE2 GLN A 110 -17.711 3.904 -6.887 1.00 0.00 N ATOM 0 H GLN A 110 -16.062 3.645 -2.659 1.00 0.00 H new ATOM 0 HA GLN A 110 -16.692 6.422 -2.545 1.00 0.00 H new ATOM 0 HB2 GLN A 110 -18.231 4.050 -3.673 1.00 0.00 H new ATOM 0 HB3 GLN A 110 -18.583 5.734 -4.004 1.00 0.00 H new ATOM 0 HG2 GLN A 110 -16.115 5.856 -4.851 1.00 0.00 H new ATOM 0 HG3 GLN A 110 -16.196 4.106 -4.882 1.00 0.00 H new ATOM 0 HE21 GLN A 110 -17.418 3.036 -6.439 1.00 0.00 H new ATOM 0 HE22 GLN A 110 -18.173 3.879 -7.796 1.00 0.00 H new ATOM 1643 N ASN A 111 -18.669 4.320 -0.928 1.00 0.00 N ATOM 1644 CA ASN A 111 -19.689 4.238 0.112 1.00 0.00 C ATOM 1645 C ASN A 111 -19.345 5.149 1.285 1.00 0.00 C ATOM 1646 O ASN A 111 -18.199 5.201 1.730 1.00 0.00 O ATOM 1647 CB ASN A 111 -19.835 2.794 0.598 1.00 0.00 C ATOM 1648 CG ASN A 111 -20.158 1.834 -0.530 1.00 0.00 C ATOM 1649 OD1 ASN A 111 -19.369 1.662 -1.459 1.00 0.00 O ATOM 1650 ND2 ASN A 111 -21.324 1.202 -0.453 1.00 0.00 N ATOM 0 H ASN A 111 -18.359 3.417 -1.287 1.00 0.00 H new ATOM 0 HA ASN A 111 -20.636 4.569 -0.315 1.00 0.00 H new ATOM 0 HB2 ASN A 111 -18.910 2.482 1.084 1.00 0.00 H new ATOM 0 HB3 ASN A 111 -20.622 2.745 1.350 1.00 0.00 H new ATOM 0 HD21 ASN A 111 -21.596 0.543 -1.183 1.00 0.00 H new ATOM 0 HD22 ASN A 111 -21.947 1.376 0.336 1.00 0.00 H new ATOM 1657 N GLY A 112 -20.347 5.868 1.784 1.00 0.00 N ATOM 1658 CA GLY A 112 -20.131 6.768 2.901 1.00 0.00 C ATOM 1659 C GLY A 112 -21.105 7.928 2.908 1.00 0.00 C ATOM 1660 O GLY A 112 -22.252 7.807 2.475 1.00 0.00 O ATOM 0 H GLY A 112 -21.305 5.843 1.434 1.00 0.00 H new ATOM 0 HA2 GLY A 112 -20.225 6.213 3.834 1.00 0.00 H new ATOM 0 HA3 GLY A 112 -19.112 7.153 2.861 1.00 0.00 H new ATOM 1664 N PRO A 113 -20.650 9.085 3.411 1.00 0.00 N ATOM 1665 CA PRO A 113 -21.475 10.295 3.486 1.00 0.00 C ATOM 1666 C PRO A 113 -21.757 10.891 2.111 1.00 0.00 C ATOM 1667 O PRO A 113 -20.899 10.870 1.228 1.00 0.00 O ATOM 1668 CB PRO A 113 -20.622 11.255 4.320 1.00 0.00 C ATOM 1669 CG PRO A 113 -19.221 10.795 4.111 1.00 0.00 C ATOM 1670 CD PRO A 113 -19.295 9.302 3.945 1.00 0.00 C ATOM 0 HA PRO A 113 -22.457 10.093 3.915 1.00 0.00 H new ATOM 0 HB2 PRO A 113 -20.753 12.287 3.993 1.00 0.00 H new ATOM 0 HB3 PRO A 113 -20.898 11.217 5.374 1.00 0.00 H new ATOM 0 HG2 PRO A 113 -18.784 11.264 3.230 1.00 0.00 H new ATOM 0 HG3 PRO A 113 -18.592 11.062 4.960 1.00 0.00 H new ATOM 0 HD2 PRO A 113 -18.530 8.935 3.261 1.00 0.00 H new ATOM 0 HD3 PRO A 113 -19.149 8.785 4.893 1.00 0.00 H new ATOM 1678 N ILE A 114 -22.963 11.420 1.936 1.00 0.00 N ATOM 1679 CA ILE A 114 -23.356 12.023 0.669 1.00 0.00 C ATOM 1680 C ILE A 114 -23.628 13.514 0.830 1.00 0.00 C ATOM 1681 O ILE A 114 -24.139 13.955 1.860 1.00 0.00 O ATOM 1682 CB ILE A 114 -24.610 11.343 0.087 1.00 0.00 C ATOM 1683 CG1 ILE A 114 -24.376 9.839 -0.067 1.00 0.00 C ATOM 1684 CG2 ILE A 114 -24.978 11.967 -1.250 1.00 0.00 C ATOM 1685 CD1 ILE A 114 -23.501 9.481 -1.247 1.00 0.00 C ATOM 0 H ILE A 114 -23.685 11.443 2.656 1.00 0.00 H new ATOM 0 HA ILE A 114 -22.523 11.881 -0.020 1.00 0.00 H new ATOM 0 HB ILE A 114 -25.440 11.494 0.777 1.00 0.00 H new ATOM 0 HG12 ILE A 114 -23.917 9.456 0.844 1.00 0.00 H new ATOM 0 HG13 ILE A 114 -25.339 9.339 -0.174 1.00 0.00 H new ATOM 0 HG21 ILE A 114 -25.866 11.476 -1.649 1.00 0.00 H new ATOM 0 HG22 ILE A 114 -25.182 13.029 -1.112 1.00 0.00 H new ATOM 0 HG23 ILE A 114 -24.151 11.844 -1.949 1.00 0.00 H new ATOM 0 HD11 ILE A 114 -23.378 8.399 -1.294 1.00 0.00 H new ATOM 0 HD12 ILE A 114 -23.968 9.834 -2.167 1.00 0.00 H new ATOM 0 HD13 ILE A 114 -22.525 9.952 -1.132 1.00 0.00 H new ATOM 1697 N SER A 115 -23.285 14.287 -0.196 1.00 0.00 N ATOM 1698 CA SER A 115 -23.491 15.731 -0.167 1.00 0.00 C ATOM 1699 C SER A 115 -23.192 16.349 -1.530 1.00 0.00 C ATOM 1700 O SER A 115 -22.606 15.706 -2.400 1.00 0.00 O ATOM 1701 CB SER A 115 -22.605 16.372 0.902 1.00 0.00 C ATOM 1702 OG SER A 115 -22.984 17.717 1.140 1.00 0.00 O ATOM 0 H SER A 115 -22.864 13.938 -1.057 1.00 0.00 H new ATOM 0 HA SER A 115 -24.536 15.920 0.077 1.00 0.00 H new ATOM 0 HB2 SER A 115 -22.677 15.802 1.828 1.00 0.00 H new ATOM 0 HB3 SER A 115 -21.563 16.335 0.585 1.00 0.00 H new ATOM 0 HG SER A 115 -22.403 18.104 1.828 1.00 0.00 H new ATOM 1708 N GLY A 116 -23.600 17.602 -1.706 1.00 0.00 N ATOM 1709 CA GLY A 116 -23.367 18.287 -2.964 1.00 0.00 C ATOM 1710 C GLY A 116 -24.306 19.460 -3.168 1.00 0.00 C ATOM 1711 O GLY A 116 -25.339 19.349 -3.828 1.00 0.00 O ATOM 0 H GLY A 116 -24.087 18.155 -1.001 1.00 0.00 H new ATOM 0 HA2 GLY A 116 -22.336 18.641 -2.996 1.00 0.00 H new ATOM 0 HA3 GLY A 116 -23.488 17.582 -3.786 1.00 0.00 H new ATOM 1715 N PRO A 117 -23.948 20.616 -2.589 1.00 0.00 N ATOM 1716 CA PRO A 117 -24.754 21.836 -2.695 1.00 0.00 C ATOM 1717 C PRO A 117 -24.736 22.422 -4.103 1.00 0.00 C ATOM 1718 O PRO A 117 -25.736 22.965 -4.572 1.00 0.00 O ATOM 1719 CB PRO A 117 -24.079 22.793 -1.709 1.00 0.00 C ATOM 1720 CG PRO A 117 -22.671 22.314 -1.619 1.00 0.00 C ATOM 1721 CD PRO A 117 -22.731 20.821 -1.787 1.00 0.00 C ATOM 0 HA PRO A 117 -25.806 21.650 -2.478 1.00 0.00 H new ATOM 0 HB2 PRO A 117 -24.125 23.823 -2.063 1.00 0.00 H new ATOM 0 HB3 PRO A 117 -24.568 22.768 -0.735 1.00 0.00 H new ATOM 0 HG2 PRO A 117 -22.053 22.769 -2.393 1.00 0.00 H new ATOM 0 HG3 PRO A 117 -22.228 22.581 -0.660 1.00 0.00 H new ATOM 0 HD2 PRO A 117 -21.846 20.438 -2.295 1.00 0.00 H new ATOM 0 HD3 PRO A 117 -22.793 20.311 -0.826 1.00 0.00 H new ATOM 1729 N SER A 118 -23.593 22.309 -4.771 1.00 0.00 N ATOM 1730 CA SER A 118 -23.444 22.830 -6.125 1.00 0.00 C ATOM 1731 C SER A 118 -22.787 21.798 -7.036 1.00 0.00 C ATOM 1732 O SER A 118 -21.568 21.631 -7.027 1.00 0.00 O ATOM 1733 CB SER A 118 -22.614 24.115 -6.110 1.00 0.00 C ATOM 1734 OG SER A 118 -23.363 25.201 -5.592 1.00 0.00 O ATOM 0 H SER A 118 -22.756 21.861 -4.397 1.00 0.00 H new ATOM 0 HA SER A 118 -24.438 23.051 -6.514 1.00 0.00 H new ATOM 0 HB2 SER A 118 -21.719 23.966 -5.506 1.00 0.00 H new ATOM 0 HB3 SER A 118 -22.281 24.348 -7.121 1.00 0.00 H new ATOM 0 HG SER A 118 -22.809 26.010 -5.592 1.00 0.00 H new ATOM 1740 N SER A 119 -23.606 21.106 -7.822 1.00 0.00 N ATOM 1741 CA SER A 119 -23.107 20.086 -8.737 1.00 0.00 C ATOM 1742 C SER A 119 -23.655 20.304 -10.144 1.00 0.00 C ATOM 1743 O SER A 119 -24.847 20.130 -10.392 1.00 0.00 O ATOM 1744 CB SER A 119 -23.490 18.691 -8.239 1.00 0.00 C ATOM 1745 OG SER A 119 -22.567 17.716 -8.691 1.00 0.00 O ATOM 0 H SER A 119 -24.618 21.233 -7.843 1.00 0.00 H new ATOM 0 HA SER A 119 -22.020 20.165 -8.772 1.00 0.00 H new ATOM 0 HB2 SER A 119 -23.523 18.687 -7.150 1.00 0.00 H new ATOM 0 HB3 SER A 119 -24.491 18.439 -8.589 1.00 0.00 H new ATOM 0 HG SER A 119 -22.834 16.834 -8.358 1.00 0.00 H new ATOM 1751 N GLY A 120 -22.773 20.686 -11.064 1.00 0.00 N ATOM 1752 CA GLY A 120 -23.186 20.921 -12.435 1.00 0.00 C ATOM 1753 C GLY A 120 -23.857 22.269 -12.615 1.00 0.00 C ATOM 1754 O GLY A 120 -23.498 23.033 -13.511 1.00 0.00 O ATOM 0 H GLY A 120 -21.780 20.837 -10.884 1.00 0.00 H new ATOM 0 HA2 GLY A 120 -22.316 20.861 -13.089 1.00 0.00 H new ATOM 0 HA3 GLY A 120 -23.872 20.133 -12.745 1.00 0.00 H new TER 1758 GLY A 120