USER MOD reduce.3.24.130724 H: found=0, std=0, add=504, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 506 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: C 18 SER OG : rot -84:sc= 0.667 USER MOD Set 1.2: C 25 SER OG : rot 180:sc= 0.416 USER MOD Single : C 9 THR OG1 : rot 38:sc= 0.247 USER MOD Single : C 14 TYR OH : rot 180:sc= 0 USER MOD Single : C 16 TYR OH : rot 180:sc= -0.36 USER MOD Single : C 20 THR OG1 : rot 180:sc= -0.407 USER MOD Single : C 22 THR OG1 : rot 180:sc= -0.501 USER MOD Single : C 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 33 GLN : amide:sc= -1.6 K(o=-1.6,f=-6.7!) USER MOD Single : C 36 ASN : amide:sc= -1.03 K(o=-1,f=-3.5!) USER MOD Single : C 37 ASN : amide:sc= -1.22 K(o=-1.2,f=-0.26) USER MOD Single : C 38 THR OG1 : rot -47:sc= 0.975 USER MOD Single : C 46 HIS : no HE2:sc= -3.86 X(o=-3.9,f=-3.6) USER MOD Single : C 47 SER OG : rot 180:sc= -0.138 USER MOD Single : C 49 THR OG1 : rot 180:sc= -0.753 USER MOD Single : C 50 THR OG1 : rot 180:sc= 0 USER MOD Single : C 52 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : C 53 THR OG1 : rot 180:sc= -0.204 USER MOD Single : C 55 TYR OH : rot 180:sc= 0 USER MOD Single : C 58 SER OG : rot 180:sc= 0 USER MOD Single : C 59 ASN : amide:sc= -6.1! C(o=-6.1!,f=-7.9!) USER MOD Single : C 60 TYR OH : rot 5:sc= 1.17 USER MOD Single : C 64 SER OG : rot -70:sc= 1.07 USER MOD Single : R 79 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N THR C 9 6.341 3.761 -24.865 1.00 0.00 N ATOM 2 CA THR C 9 5.014 4.273 -24.422 1.00 0.00 C ATOM 3 C THR C 9 4.301 3.199 -23.598 1.00 0.00 C ATOM 4 O THR C 9 3.541 2.406 -24.119 1.00 0.00 O ATOM 5 CB THR C 9 4.167 4.621 -25.649 1.00 0.00 C ATOM 6 OG1 THR C 9 4.919 5.453 -26.521 1.00 0.00 O ATOM 7 CG2 THR C 9 2.901 5.357 -25.206 1.00 0.00 C ATOM 0 HA THR C 9 5.154 5.165 -23.811 1.00 0.00 H new ATOM 0 HB THR C 9 3.889 3.705 -26.170 1.00 0.00 H new ATOM 0 HG1 THR C 9 5.853 5.158 -26.530 1.00 0.00 H new ATOM 0 HG21 THR C 9 2.299 5.604 -26.080 1.00 0.00 H new ATOM 0 HG22 THR C 9 2.324 4.718 -24.537 1.00 0.00 H new ATOM 0 HG23 THR C 9 3.177 6.274 -24.684 1.00 0.00 H new ATOM 14 N PHE C 10 4.540 3.165 -22.316 1.00 0.00 N ATOM 15 CA PHE C 10 3.876 2.143 -21.459 1.00 0.00 C ATOM 16 C PHE C 10 2.445 2.592 -21.142 1.00 0.00 C ATOM 17 O PHE C 10 1.948 3.547 -21.708 1.00 0.00 O ATOM 18 CB PHE C 10 4.666 1.978 -20.163 1.00 0.00 C ATOM 19 CG PHE C 10 5.665 0.830 -20.325 1.00 0.00 C ATOM 20 CD1 PHE C 10 6.405 0.704 -21.486 1.00 0.00 C ATOM 21 CD2 PHE C 10 5.837 -0.097 -19.314 1.00 0.00 C ATOM 22 CE1 PHE C 10 7.302 -0.334 -21.634 1.00 0.00 C ATOM 23 CE2 PHE C 10 6.734 -1.133 -19.462 1.00 0.00 C ATOM 24 CZ PHE C 10 7.467 -1.252 -20.622 1.00 0.00 C ATOM 0 H PHE C 10 5.167 3.802 -21.824 1.00 0.00 H new ATOM 0 HA PHE C 10 3.844 1.189 -21.985 1.00 0.00 H new ATOM 0 HB2 PHE C 10 5.192 2.902 -19.923 1.00 0.00 H new ATOM 0 HB3 PHE C 10 3.989 1.772 -19.334 1.00 0.00 H new ATOM 0 HD1 PHE C 10 6.280 1.423 -22.282 1.00 0.00 H new ATOM 0 HD2 PHE C 10 5.265 -0.009 -18.402 1.00 0.00 H new ATOM 0 HE1 PHE C 10 7.875 -0.426 -22.545 1.00 0.00 H new ATOM 0 HE2 PHE C 10 6.862 -1.853 -18.667 1.00 0.00 H new ATOM 0 HZ PHE C 10 8.170 -2.064 -20.737 1.00 0.00 H new ATOM 34 N VAL C 11 1.783 1.927 -20.228 1.00 0.00 N ATOM 35 CA VAL C 11 0.385 2.330 -19.892 1.00 0.00 C ATOM 36 C VAL C 11 0.145 2.146 -18.394 1.00 0.00 C ATOM 37 O VAL C 11 0.200 1.047 -17.877 1.00 0.00 O ATOM 38 CB VAL C 11 -0.599 1.459 -20.675 1.00 0.00 C ATOM 39 CG1 VAL C 11 -2.014 1.675 -20.136 1.00 0.00 C ATOM 40 CG2 VAL C 11 -0.554 1.844 -22.155 1.00 0.00 C ATOM 0 H VAL C 11 2.147 1.130 -19.705 1.00 0.00 H new ATOM 0 HA VAL C 11 0.237 3.377 -20.157 1.00 0.00 H new ATOM 0 HB VAL C 11 -0.324 0.410 -20.563 1.00 0.00 H new ATOM 0 HG11 VAL C 11 -2.715 1.054 -20.694 1.00 0.00 H new ATOM 0 HG12 VAL C 11 -2.047 1.401 -19.081 1.00 0.00 H new ATOM 0 HG13 VAL C 11 -2.290 2.724 -20.248 1.00 0.00 H new ATOM 0 HG21 VAL C 11 -1.255 1.224 -22.714 1.00 0.00 H new ATOM 0 HG22 VAL C 11 -0.829 2.893 -22.267 1.00 0.00 H new ATOM 0 HG23 VAL C 11 0.454 1.690 -22.541 1.00 0.00 H new ATOM 50 N ALA C 12 -0.124 3.212 -17.694 1.00 0.00 N ATOM 51 CA ALA C 12 -0.367 3.103 -16.229 1.00 0.00 C ATOM 52 C ALA C 12 -1.516 2.127 -15.961 1.00 0.00 C ATOM 53 O ALA C 12 -2.281 1.789 -16.843 1.00 0.00 O ATOM 54 CB ALA C 12 -0.729 4.480 -15.669 1.00 0.00 C ATOM 0 H ALA C 12 -0.186 4.156 -18.074 1.00 0.00 H new ATOM 0 HA ALA C 12 0.537 2.735 -15.743 1.00 0.00 H new ATOM 0 HB1 ALA C 12 -0.907 4.401 -14.597 1.00 0.00 H new ATOM 0 HB2 ALA C 12 0.092 5.174 -15.851 1.00 0.00 H new ATOM 0 HB3 ALA C 12 -1.630 4.847 -16.160 1.00 0.00 H new ATOM 60 N LEU C 13 -1.638 1.676 -14.745 1.00 0.00 N ATOM 61 CA LEU C 13 -2.728 0.723 -14.396 1.00 0.00 C ATOM 62 C LEU C 13 -3.242 1.051 -12.998 1.00 0.00 C ATOM 63 O LEU C 13 -4.426 1.215 -12.779 1.00 0.00 O ATOM 64 CB LEU C 13 -2.189 -0.708 -14.397 1.00 0.00 C ATOM 65 CG LEU C 13 -1.643 -1.056 -15.781 1.00 0.00 C ATOM 66 CD1 LEU C 13 -0.724 -2.273 -15.668 1.00 0.00 C ATOM 67 CD2 LEU C 13 -2.807 -1.379 -16.721 1.00 0.00 C ATOM 0 H LEU C 13 -1.024 1.929 -13.971 1.00 0.00 H new ATOM 0 HA LEU C 13 -3.531 0.810 -15.128 1.00 0.00 H new ATOM 0 HB2 LEU C 13 -1.402 -0.810 -13.650 1.00 0.00 H new ATOM 0 HB3 LEU C 13 -2.981 -1.405 -14.123 1.00 0.00 H new ATOM 0 HG LEU C 13 -1.082 -0.210 -16.178 1.00 0.00 H new ATOM 0 HD11 LEU C 13 -0.332 -2.525 -16.653 1.00 0.00 H new ATOM 0 HD12 LEU C 13 0.103 -2.043 -14.996 1.00 0.00 H new ATOM 0 HD13 LEU C 13 -1.287 -3.119 -15.274 1.00 0.00 H new ATOM 0 HD21 LEU C 13 -2.419 -1.627 -17.709 1.00 0.00 H new ATOM 0 HD22 LEU C 13 -3.368 -2.227 -16.328 1.00 0.00 H new ATOM 0 HD23 LEU C 13 -3.465 -0.513 -16.797 1.00 0.00 H new ATOM 79 N TYR C 14 -2.352 1.151 -12.049 1.00 0.00 N ATOM 80 CA TYR C 14 -2.778 1.468 -10.661 1.00 0.00 C ATOM 81 C TYR C 14 -2.516 2.947 -10.377 1.00 0.00 C ATOM 82 O TYR C 14 -1.406 3.426 -10.496 1.00 0.00 O ATOM 83 CB TYR C 14 -1.989 0.600 -9.672 1.00 0.00 C ATOM 84 CG TYR C 14 -1.786 -0.805 -10.260 1.00 0.00 C ATOM 85 CD1 TYR C 14 -2.651 -1.303 -11.215 1.00 0.00 C ATOM 86 CD2 TYR C 14 -0.720 -1.584 -9.859 1.00 0.00 C ATOM 87 CE1 TYR C 14 -2.453 -2.552 -11.762 1.00 0.00 C ATOM 88 CE2 TYR C 14 -0.523 -2.837 -10.404 1.00 0.00 C ATOM 89 CZ TYR C 14 -1.387 -3.330 -11.361 1.00 0.00 C ATOM 90 OH TYR C 14 -1.189 -4.583 -11.906 1.00 0.00 O ATOM 0 H TYR C 14 -1.348 1.026 -12.177 1.00 0.00 H new ATOM 0 HA TYR C 14 -3.842 1.262 -10.548 1.00 0.00 H new ATOM 0 HB2 TYR C 14 -1.023 1.059 -9.461 1.00 0.00 H new ATOM 0 HB3 TYR C 14 -2.524 0.534 -8.725 1.00 0.00 H new ATOM 0 HD1 TYR C 14 -3.492 -0.707 -11.537 1.00 0.00 H new ATOM 0 HD2 TYR C 14 -0.034 -1.211 -9.113 1.00 0.00 H new ATOM 0 HE1 TYR C 14 -3.137 -2.924 -12.510 1.00 0.00 H new ATOM 0 HE2 TYR C 14 0.314 -3.437 -10.079 1.00 0.00 H new ATOM 0 HH TYR C 14 -0.391 -4.990 -11.509 1.00 0.00 H new ATOM 100 N ASP C 15 -3.532 3.672 -10.003 1.00 0.00 N ATOM 101 CA ASP C 15 -3.352 5.119 -9.711 1.00 0.00 C ATOM 102 C ASP C 15 -2.102 5.321 -8.855 1.00 0.00 C ATOM 103 O ASP C 15 -2.055 4.931 -7.705 1.00 0.00 O ATOM 104 CB ASP C 15 -4.578 5.639 -8.959 1.00 0.00 C ATOM 105 CG ASP C 15 -5.154 4.526 -8.080 1.00 0.00 C ATOM 106 OD1 ASP C 15 -4.511 4.178 -7.103 1.00 0.00 O ATOM 107 OD2 ASP C 15 -6.226 4.040 -8.400 1.00 0.00 O ATOM 0 H ASP C 15 -4.483 3.322 -9.887 1.00 0.00 H new ATOM 0 HA ASP C 15 -3.237 5.667 -10.646 1.00 0.00 H new ATOM 0 HB2 ASP C 15 -4.303 6.496 -8.344 1.00 0.00 H new ATOM 0 HB3 ASP C 15 -5.332 5.984 -9.667 1.00 0.00 H new ATOM 112 N TYR C 16 -1.088 5.928 -9.407 1.00 0.00 N ATOM 113 CA TYR C 16 0.159 6.156 -8.626 1.00 0.00 C ATOM 114 C TYR C 16 0.039 7.470 -7.855 1.00 0.00 C ATOM 115 O TYR C 16 0.040 8.541 -8.431 1.00 0.00 O ATOM 116 CB TYR C 16 1.354 6.233 -9.576 1.00 0.00 C ATOM 117 CG TYR C 16 2.624 6.526 -8.773 1.00 0.00 C ATOM 118 CD1 TYR C 16 2.781 6.018 -7.500 1.00 0.00 C ATOM 119 CD2 TYR C 16 3.629 7.303 -9.311 1.00 0.00 C ATOM 120 CE1 TYR C 16 3.927 6.283 -6.775 1.00 0.00 C ATOM 121 CE2 TYR C 16 4.774 7.569 -8.588 1.00 0.00 C ATOM 122 CZ TYR C 16 4.932 7.060 -7.314 1.00 0.00 C ATOM 123 OH TYR C 16 6.076 7.326 -6.591 1.00 0.00 O ATOM 0 H TYR C 16 -1.070 6.276 -10.366 1.00 0.00 H new ATOM 0 HA TYR C 16 0.305 5.332 -7.928 1.00 0.00 H new ATOM 0 HB2 TYR C 16 1.462 5.294 -10.119 1.00 0.00 H new ATOM 0 HB3 TYR C 16 1.192 7.014 -10.319 1.00 0.00 H new ATOM 0 HD1 TYR C 16 2.002 5.408 -7.067 1.00 0.00 H new ATOM 0 HD2 TYR C 16 3.519 7.707 -10.307 1.00 0.00 H new ATOM 0 HE1 TYR C 16 4.037 5.879 -5.779 1.00 0.00 H new ATOM 0 HE2 TYR C 16 5.552 8.180 -9.022 1.00 0.00 H new ATOM 0 HH TYR C 16 6.677 7.887 -7.124 1.00 0.00 H new ATOM 133 N GLU C 17 -0.067 7.399 -6.556 1.00 0.00 N ATOM 134 CA GLU C 17 -0.188 8.645 -5.749 1.00 0.00 C ATOM 135 C GLU C 17 1.180 9.003 -5.165 1.00 0.00 C ATOM 136 O GLU C 17 1.369 9.018 -3.965 1.00 0.00 O ATOM 137 CB GLU C 17 -1.185 8.419 -4.612 1.00 0.00 C ATOM 138 CG GLU C 17 -2.175 9.585 -4.562 1.00 0.00 C ATOM 139 CD GLU C 17 -2.744 9.708 -3.148 1.00 0.00 C ATOM 140 OE1 GLU C 17 -2.558 8.784 -2.373 1.00 0.00 O ATOM 141 OE2 GLU C 17 -3.358 10.723 -2.864 1.00 0.00 O ATOM 0 H GLU C 17 -0.075 6.532 -6.019 1.00 0.00 H new ATOM 0 HA GLU C 17 -0.539 9.460 -6.382 1.00 0.00 H new ATOM 0 HB2 GLU C 17 -1.719 7.481 -4.763 1.00 0.00 H new ATOM 0 HB3 GLU C 17 -0.657 8.335 -3.662 1.00 0.00 H new ATOM 0 HG2 GLU C 17 -1.677 10.512 -4.847 1.00 0.00 H new ATOM 0 HG3 GLU C 17 -2.981 9.423 -5.277 1.00 0.00 H new ATOM 148 N SER C 18 2.136 9.290 -6.006 1.00 0.00 N ATOM 149 CA SER C 18 3.492 9.646 -5.503 1.00 0.00 C ATOM 150 C SER C 18 3.373 10.751 -4.451 1.00 0.00 C ATOM 151 O SER C 18 2.289 11.158 -4.083 1.00 0.00 O ATOM 152 CB SER C 18 4.351 10.140 -6.669 1.00 0.00 C ATOM 153 OG SER C 18 4.163 11.537 -6.836 1.00 0.00 O ATOM 0 H SER C 18 2.036 9.293 -7.021 1.00 0.00 H new ATOM 0 HA SER C 18 3.957 8.768 -5.054 1.00 0.00 H new ATOM 0 HB2 SER C 18 5.402 9.924 -6.478 1.00 0.00 H new ATOM 0 HB3 SER C 18 4.079 9.614 -7.584 1.00 0.00 H new ATOM 0 HG SER C 18 3.363 11.697 -7.379 1.00 0.00 H new ATOM 159 N ARG C 19 4.480 11.239 -3.961 1.00 0.00 N ATOM 160 CA ARG C 19 4.429 12.317 -2.934 1.00 0.00 C ATOM 161 C ARG C 19 4.960 13.620 -3.534 1.00 0.00 C ATOM 162 O ARG C 19 5.287 14.552 -2.828 1.00 0.00 O ATOM 163 CB ARG C 19 5.292 11.920 -1.735 1.00 0.00 C ATOM 164 CG ARG C 19 4.390 11.603 -0.540 1.00 0.00 C ATOM 165 CD ARG C 19 4.789 12.484 0.645 1.00 0.00 C ATOM 166 NE ARG C 19 4.240 11.904 1.903 1.00 0.00 N ATOM 167 CZ ARG C 19 2.978 12.059 2.203 1.00 0.00 C ATOM 168 NH1 ARG C 19 2.191 12.729 1.404 1.00 0.00 N ATOM 169 NH2 ARG C 19 2.502 11.546 3.304 1.00 0.00 N ATOM 0 H ARG C 19 5.417 10.938 -4.228 1.00 0.00 H new ATOM 0 HA ARG C 19 3.398 12.460 -2.609 1.00 0.00 H new ATOM 0 HB2 ARG C 19 5.902 11.052 -1.984 1.00 0.00 H new ATOM 0 HB3 ARG C 19 5.977 12.729 -1.483 1.00 0.00 H new ATOM 0 HG2 ARG C 19 3.346 11.777 -0.802 1.00 0.00 H new ATOM 0 HG3 ARG C 19 4.480 10.550 -0.271 1.00 0.00 H new ATOM 0 HD2 ARG C 19 5.875 12.556 0.709 1.00 0.00 H new ATOM 0 HD3 ARG C 19 4.410 13.496 0.503 1.00 0.00 H new ATOM 0 HE ARG C 19 4.852 11.384 2.532 1.00 0.00 H new ATOM 0 HH11 ARG C 19 2.561 13.133 0.544 1.00 0.00 H new ATOM 0 HH12 ARG C 19 1.206 12.849 1.641 1.00 0.00 H new ATOM 0 HH21 ARG C 19 3.115 11.024 3.930 1.00 0.00 H new ATOM 0 HH22 ARG C 19 1.517 11.667 3.539 1.00 0.00 H new ATOM 183 N THR C 20 5.047 13.693 -4.836 1.00 0.00 N ATOM 184 CA THR C 20 5.556 14.936 -5.480 1.00 0.00 C ATOM 185 C THR C 20 7.077 15.004 -5.322 1.00 0.00 C ATOM 186 O THR C 20 7.684 16.042 -5.503 1.00 0.00 O ATOM 187 CB THR C 20 4.919 16.159 -4.814 1.00 0.00 C ATOM 188 OG1 THR C 20 3.570 15.862 -4.480 1.00 0.00 O ATOM 189 CG2 THR C 20 4.957 17.347 -5.777 1.00 0.00 C ATOM 0 H THR C 20 4.787 12.945 -5.480 1.00 0.00 H new ATOM 0 HA THR C 20 5.298 14.927 -6.539 1.00 0.00 H new ATOM 0 HB THR C 20 5.473 16.411 -3.910 1.00 0.00 H new ATOM 0 HG1 THR C 20 3.160 16.642 -4.052 1.00 0.00 H new ATOM 0 HG21 THR C 20 4.503 18.216 -5.301 1.00 0.00 H new ATOM 0 HG22 THR C 20 5.992 17.573 -6.035 1.00 0.00 H new ATOM 0 HG23 THR C 20 4.403 17.099 -6.683 1.00 0.00 H new ATOM 197 N GLU C 21 7.696 13.907 -4.981 1.00 0.00 N ATOM 198 CA GLU C 21 9.171 13.904 -4.811 1.00 0.00 C ATOM 199 C GLU C 21 9.842 13.665 -6.165 1.00 0.00 C ATOM 200 O GLU C 21 10.612 12.739 -6.331 1.00 0.00 O ATOM 201 CB GLU C 21 9.556 12.785 -3.845 1.00 0.00 C ATOM 202 CG GLU C 21 8.503 12.679 -2.740 1.00 0.00 C ATOM 203 CD GLU C 21 8.987 11.700 -1.668 1.00 0.00 C ATOM 204 OE1 GLU C 21 9.883 10.926 -1.962 1.00 0.00 O ATOM 205 OE2 GLU C 21 8.453 11.741 -0.572 1.00 0.00 O ATOM 0 H GLU C 21 7.239 13.011 -4.813 1.00 0.00 H new ATOM 0 HA GLU C 21 9.499 14.864 -4.413 1.00 0.00 H new ATOM 0 HB2 GLU C 21 9.633 11.839 -4.380 1.00 0.00 H new ATOM 0 HB3 GLU C 21 10.535 12.986 -3.411 1.00 0.00 H new ATOM 0 HG2 GLU C 21 8.324 13.659 -2.298 1.00 0.00 H new ATOM 0 HG3 GLU C 21 7.555 12.339 -3.157 1.00 0.00 H new ATOM 212 N THR C 22 9.556 14.491 -7.135 1.00 0.00 N ATOM 213 CA THR C 22 10.178 14.311 -8.477 1.00 0.00 C ATOM 214 C THR C 22 9.490 13.157 -9.210 1.00 0.00 C ATOM 215 O THR C 22 9.922 12.734 -10.263 1.00 0.00 O ATOM 216 CB THR C 22 11.666 13.993 -8.313 1.00 0.00 C ATOM 217 OG1 THR C 22 12.184 14.716 -7.205 1.00 0.00 O ATOM 218 CG2 THR C 22 12.418 14.393 -9.584 1.00 0.00 C ATOM 0 H THR C 22 8.918 15.283 -7.055 1.00 0.00 H new ATOM 0 HA THR C 22 10.063 15.229 -9.054 1.00 0.00 H new ATOM 0 HB THR C 22 11.793 12.924 -8.140 1.00 0.00 H new ATOM 0 HG1 THR C 22 13.137 14.512 -7.098 1.00 0.00 H new ATOM 0 HG21 THR C 22 13.478 14.166 -9.466 1.00 0.00 H new ATOM 0 HG22 THR C 22 12.020 13.837 -10.433 1.00 0.00 H new ATOM 0 HG23 THR C 22 12.293 15.461 -9.760 1.00 0.00 H new ATOM 226 N ASP C 23 8.422 12.645 -8.663 1.00 0.00 N ATOM 227 CA ASP C 23 7.711 11.519 -9.332 1.00 0.00 C ATOM 228 C ASP C 23 6.421 12.037 -9.972 1.00 0.00 C ATOM 229 O ASP C 23 5.697 12.820 -9.388 1.00 0.00 O ATOM 230 CB ASP C 23 7.373 10.441 -8.300 1.00 0.00 C ATOM 231 CG ASP C 23 8.497 10.354 -7.266 1.00 0.00 C ATOM 232 OD1 ASP C 23 9.427 9.598 -7.494 1.00 0.00 O ATOM 233 OD2 ASP C 23 8.407 11.043 -6.263 1.00 0.00 O ATOM 0 H ASP C 23 8.011 12.957 -7.783 1.00 0.00 H new ATOM 0 HA ASP C 23 8.353 11.093 -10.103 1.00 0.00 H new ATOM 0 HB2 ASP C 23 6.429 10.677 -7.808 1.00 0.00 H new ATOM 0 HB3 ASP C 23 7.243 9.478 -8.794 1.00 0.00 H new ATOM 238 N LEU C 24 6.128 11.609 -11.169 1.00 0.00 N ATOM 239 CA LEU C 24 4.885 12.076 -11.848 1.00 0.00 C ATOM 240 C LEU C 24 3.730 11.132 -11.512 1.00 0.00 C ATOM 241 O LEU C 24 3.604 10.066 -12.083 1.00 0.00 O ATOM 242 CB LEU C 24 5.103 12.092 -13.362 1.00 0.00 C ATOM 243 CG LEU C 24 5.622 13.465 -13.790 1.00 0.00 C ATOM 244 CD1 LEU C 24 6.022 13.421 -15.267 1.00 0.00 C ATOM 245 CD2 LEU C 24 4.523 14.510 -13.592 1.00 0.00 C ATOM 0 H LEU C 24 6.696 10.955 -11.707 1.00 0.00 H new ATOM 0 HA LEU C 24 4.644 13.082 -11.504 1.00 0.00 H new ATOM 0 HB2 LEU C 24 5.816 11.318 -13.645 1.00 0.00 H new ATOM 0 HB3 LEU C 24 4.169 11.868 -13.877 1.00 0.00 H new ATOM 0 HG LEU C 24 6.489 13.730 -13.185 1.00 0.00 H new ATOM 0 HD11 LEU C 24 6.392 14.399 -15.573 1.00 0.00 H new ATOM 0 HD12 LEU C 24 6.805 12.676 -15.410 1.00 0.00 H new ATOM 0 HD13 LEU C 24 5.154 13.156 -15.871 1.00 0.00 H new ATOM 0 HD21 LEU C 24 4.893 15.489 -13.897 1.00 0.00 H new ATOM 0 HD22 LEU C 24 3.656 14.245 -14.197 1.00 0.00 H new ATOM 0 HD23 LEU C 24 4.236 14.542 -12.541 1.00 0.00 H new ATOM 257 N SER C 25 2.886 11.511 -10.593 1.00 0.00 N ATOM 258 CA SER C 25 1.742 10.630 -10.229 1.00 0.00 C ATOM 259 C SER C 25 0.829 10.473 -11.447 1.00 0.00 C ATOM 260 O SER C 25 0.853 11.279 -12.355 1.00 0.00 O ATOM 261 CB SER C 25 0.954 11.257 -9.076 1.00 0.00 C ATOM 262 OG SER C 25 1.704 12.321 -8.509 1.00 0.00 O ATOM 0 H SER C 25 2.939 12.391 -10.079 1.00 0.00 H new ATOM 0 HA SER C 25 2.115 9.654 -9.917 1.00 0.00 H new ATOM 0 HB2 SER C 25 -0.006 11.627 -9.437 1.00 0.00 H new ATOM 0 HB3 SER C 25 0.740 10.505 -8.317 1.00 0.00 H new ATOM 0 HG SER C 25 1.197 12.722 -7.772 1.00 0.00 H new ATOM 268 N PHE C 26 0.026 9.444 -11.480 1.00 0.00 N ATOM 269 CA PHE C 26 -0.878 9.257 -12.650 1.00 0.00 C ATOM 270 C PHE C 26 -2.062 8.372 -12.258 1.00 0.00 C ATOM 271 O PHE C 26 -2.205 7.973 -11.120 1.00 0.00 O ATOM 272 CB PHE C 26 -0.106 8.596 -13.795 1.00 0.00 C ATOM 273 CG PHE C 26 0.609 7.345 -13.283 1.00 0.00 C ATOM 274 CD1 PHE C 26 -0.040 6.126 -13.273 1.00 0.00 C ATOM 275 CD2 PHE C 26 1.916 7.415 -12.834 1.00 0.00 C ATOM 276 CE1 PHE C 26 0.606 4.992 -12.822 1.00 0.00 C ATOM 277 CE2 PHE C 26 2.562 6.282 -12.383 1.00 0.00 C ATOM 278 CZ PHE C 26 1.906 5.070 -12.377 1.00 0.00 C ATOM 0 H PHE C 26 -0.043 8.731 -10.754 1.00 0.00 H new ATOM 0 HA PHE C 26 -1.248 10.230 -12.973 1.00 0.00 H new ATOM 0 HB2 PHE C 26 -0.790 8.331 -14.601 1.00 0.00 H new ATOM 0 HB3 PHE C 26 0.619 9.297 -14.209 1.00 0.00 H new ATOM 0 HD1 PHE C 26 -1.060 6.059 -13.621 1.00 0.00 H new ATOM 0 HD2 PHE C 26 2.434 8.363 -12.837 1.00 0.00 H new ATOM 0 HE1 PHE C 26 0.091 4.043 -12.818 1.00 0.00 H new ATOM 0 HE2 PHE C 26 3.582 6.345 -12.035 1.00 0.00 H new ATOM 0 HZ PHE C 26 2.411 4.183 -12.024 1.00 0.00 H new ATOM 288 N LYS C 27 -2.914 8.067 -13.199 1.00 0.00 N ATOM 289 CA LYS C 27 -4.094 7.210 -12.894 1.00 0.00 C ATOM 290 C LYS C 27 -4.158 6.057 -13.898 1.00 0.00 C ATOM 291 O LYS C 27 -3.293 5.904 -14.738 1.00 0.00 O ATOM 292 CB LYS C 27 -5.371 8.047 -12.996 1.00 0.00 C ATOM 293 CG LYS C 27 -6.326 7.662 -11.865 1.00 0.00 C ATOM 294 CD LYS C 27 -7.503 8.638 -11.836 1.00 0.00 C ATOM 295 CE LYS C 27 -8.809 7.868 -12.045 1.00 0.00 C ATOM 296 NZ LYS C 27 -9.790 8.262 -10.995 1.00 0.00 N ATOM 0 H LYS C 27 -2.843 8.376 -14.169 1.00 0.00 H new ATOM 0 HA LYS C 27 -4.002 6.809 -11.885 1.00 0.00 H new ATOM 0 HB2 LYS C 27 -5.129 9.108 -12.936 1.00 0.00 H new ATOM 0 HB3 LYS C 27 -5.849 7.883 -13.962 1.00 0.00 H new ATOM 0 HG2 LYS C 27 -6.688 6.644 -12.011 1.00 0.00 H new ATOM 0 HG3 LYS C 27 -5.801 7.680 -10.910 1.00 0.00 H new ATOM 0 HD2 LYS C 27 -7.528 9.166 -10.883 1.00 0.00 H new ATOM 0 HD3 LYS C 27 -7.384 9.391 -12.615 1.00 0.00 H new ATOM 0 HE2 LYS C 27 -9.214 8.080 -13.034 1.00 0.00 H new ATOM 0 HE3 LYS C 27 -8.623 6.795 -12.000 1.00 0.00 H new ATOM 0 HZ1 LYS C 27 -10.678 7.739 -11.136 1.00 0.00 H new ATOM 0 HZ2 LYS C 27 -9.402 8.039 -10.056 1.00 0.00 H new ATOM 0 HZ3 LYS C 27 -9.976 9.283 -11.059 1.00 0.00 H new ATOM 310 N LYS C 28 -5.177 5.245 -13.822 1.00 0.00 N ATOM 311 CA LYS C 28 -5.291 4.104 -14.775 1.00 0.00 C ATOM 312 C LYS C 28 -5.826 4.610 -16.117 1.00 0.00 C ATOM 313 O LYS C 28 -6.963 5.024 -16.227 1.00 0.00 O ATOM 314 CB LYS C 28 -6.251 3.056 -14.207 1.00 0.00 C ATOM 315 CG LYS C 28 -6.386 1.899 -15.199 1.00 0.00 C ATOM 316 CD LYS C 28 -7.313 0.830 -14.617 1.00 0.00 C ATOM 317 CE LYS C 28 -8.691 1.438 -14.351 1.00 0.00 C ATOM 318 NZ LYS C 28 -9.727 0.368 -14.418 1.00 0.00 N ATOM 0 H LYS C 28 -5.934 5.322 -13.143 1.00 0.00 H new ATOM 0 HA LYS C 28 -4.308 3.655 -14.921 1.00 0.00 H new ATOM 0 HB2 LYS C 28 -5.880 2.688 -13.250 1.00 0.00 H new ATOM 0 HB3 LYS C 28 -7.227 3.504 -14.019 1.00 0.00 H new ATOM 0 HG2 LYS C 28 -6.784 2.263 -16.146 1.00 0.00 H new ATOM 0 HG3 LYS C 28 -5.406 1.470 -15.409 1.00 0.00 H new ATOM 0 HD2 LYS C 28 -7.401 -0.007 -15.310 1.00 0.00 H new ATOM 0 HD3 LYS C 28 -6.894 0.435 -13.692 1.00 0.00 H new ATOM 0 HE2 LYS C 28 -8.707 1.914 -13.371 1.00 0.00 H new ATOM 0 HE3 LYS C 28 -8.906 2.214 -15.086 1.00 0.00 H new ATOM 0 HZ1 LYS C 28 -10.664 0.781 -14.237 1.00 0.00 H new ATOM 0 HZ2 LYS C 28 -9.716 -0.067 -15.363 1.00 0.00 H new ATOM 0 HZ3 LYS C 28 -9.524 -0.357 -13.701 1.00 0.00 H new ATOM 332 N GLY C 29 -5.016 4.580 -17.141 1.00 0.00 N ATOM 333 CA GLY C 29 -5.481 5.059 -18.473 1.00 0.00 C ATOM 334 C GLY C 29 -4.518 6.124 -19.003 1.00 0.00 C ATOM 335 O GLY C 29 -4.603 6.538 -20.143 1.00 0.00 O ATOM 0 H GLY C 29 -4.053 4.245 -17.112 1.00 0.00 H new ATOM 0 HA2 GLY C 29 -5.536 4.224 -19.172 1.00 0.00 H new ATOM 0 HA3 GLY C 29 -6.486 5.472 -18.391 1.00 0.00 H new ATOM 339 N GLU C 30 -3.601 6.571 -18.189 1.00 0.00 N ATOM 340 CA GLU C 30 -2.637 7.607 -18.653 1.00 0.00 C ATOM 341 C GLU C 30 -1.407 6.930 -19.257 1.00 0.00 C ATOM 342 O GLU C 30 -0.827 6.036 -18.671 1.00 0.00 O ATOM 343 CB GLU C 30 -2.210 8.475 -17.467 1.00 0.00 C ATOM 344 CG GLU C 30 -1.131 9.459 -17.922 1.00 0.00 C ATOM 345 CD GLU C 30 -0.904 10.508 -16.832 1.00 0.00 C ATOM 346 OE1 GLU C 30 -1.868 11.140 -16.435 1.00 0.00 O ATOM 347 OE2 GLU C 30 0.231 10.661 -16.411 1.00 0.00 O ATOM 0 H GLU C 30 -3.478 6.264 -17.224 1.00 0.00 H new ATOM 0 HA GLU C 30 -3.114 8.231 -19.408 1.00 0.00 H new ATOM 0 HB2 GLU C 30 -3.069 9.017 -17.071 1.00 0.00 H new ATOM 0 HB3 GLU C 30 -1.829 7.848 -16.661 1.00 0.00 H new ATOM 0 HG2 GLU C 30 -0.202 8.927 -18.128 1.00 0.00 H new ATOM 0 HG3 GLU C 30 -1.434 9.943 -18.850 1.00 0.00 H new ATOM 354 N ARG C 31 -1.003 7.347 -20.426 1.00 0.00 N ATOM 355 CA ARG C 31 0.190 6.726 -21.068 1.00 0.00 C ATOM 356 C ARG C 31 1.461 7.299 -20.436 1.00 0.00 C ATOM 357 O ARG C 31 1.479 8.420 -19.965 1.00 0.00 O ATOM 358 CB ARG C 31 0.182 7.036 -22.566 1.00 0.00 C ATOM 359 CG ARG C 31 -1.017 6.349 -23.222 1.00 0.00 C ATOM 360 CD ARG C 31 -2.047 7.402 -23.635 1.00 0.00 C ATOM 361 NE ARG C 31 -2.851 6.888 -24.779 1.00 0.00 N ATOM 362 CZ ARG C 31 -3.893 7.553 -25.201 1.00 0.00 C ATOM 363 NH1 ARG C 31 -4.238 8.672 -24.622 1.00 0.00 N ATOM 364 NH2 ARG C 31 -4.593 7.097 -26.205 1.00 0.00 N ATOM 0 H ARG C 31 -1.448 8.091 -20.964 1.00 0.00 H new ATOM 0 HA ARG C 31 0.163 5.646 -20.921 1.00 0.00 H new ATOM 0 HB2 ARG C 31 0.130 8.113 -22.725 1.00 0.00 H new ATOM 0 HB3 ARG C 31 1.109 6.691 -23.025 1.00 0.00 H new ATOM 0 HG2 ARG C 31 -0.692 5.782 -24.094 1.00 0.00 H new ATOM 0 HG3 ARG C 31 -1.466 5.638 -22.529 1.00 0.00 H new ATOM 0 HD2 ARG C 31 -2.700 7.637 -22.794 1.00 0.00 H new ATOM 0 HD3 ARG C 31 -1.544 8.327 -23.917 1.00 0.00 H new ATOM 0 HE ARG C 31 -2.587 6.014 -25.234 1.00 0.00 H new ATOM 0 HH11 ARG C 31 -3.693 9.029 -23.837 1.00 0.00 H new ATOM 0 HH12 ARG C 31 -5.052 9.188 -24.955 1.00 0.00 H new ATOM 0 HH21 ARG C 31 -4.326 6.223 -26.658 1.00 0.00 H new ATOM 0 HH22 ARG C 31 -5.407 7.615 -26.536 1.00 0.00 H new ATOM 378 N LEU C 32 2.525 6.543 -20.422 1.00 0.00 N ATOM 379 CA LEU C 32 3.790 7.054 -19.820 1.00 0.00 C ATOM 380 C LEU C 32 4.939 6.871 -20.811 1.00 0.00 C ATOM 381 O LEU C 32 5.054 5.850 -21.460 1.00 0.00 O ATOM 382 CB LEU C 32 4.094 6.277 -18.537 1.00 0.00 C ATOM 383 CG LEU C 32 3.047 6.616 -17.475 1.00 0.00 C ATOM 384 CD1 LEU C 32 3.237 5.701 -16.262 1.00 0.00 C ATOM 385 CD2 LEU C 32 3.210 8.075 -17.044 1.00 0.00 C ATOM 0 H LEU C 32 2.574 5.597 -20.800 1.00 0.00 H new ATOM 0 HA LEU C 32 3.679 8.113 -19.587 1.00 0.00 H new ATOM 0 HB2 LEU C 32 4.090 5.206 -18.738 1.00 0.00 H new ATOM 0 HB3 LEU C 32 5.090 6.529 -18.174 1.00 0.00 H new ATOM 0 HG LEU C 32 2.049 6.470 -17.889 1.00 0.00 H new ATOM 0 HD11 LEU C 32 2.491 5.942 -15.504 1.00 0.00 H new ATOM 0 HD12 LEU C 32 3.120 4.662 -16.569 1.00 0.00 H new ATOM 0 HD13 LEU C 32 4.235 5.848 -15.848 1.00 0.00 H new ATOM 0 HD21 LEU C 32 2.464 8.316 -16.287 1.00 0.00 H new ATOM 0 HD22 LEU C 32 4.207 8.223 -16.630 1.00 0.00 H new ATOM 0 HD23 LEU C 32 3.075 8.727 -17.907 1.00 0.00 H new ATOM 397 N GLN C 33 5.793 7.851 -20.939 1.00 0.00 N ATOM 398 CA GLN C 33 6.932 7.724 -21.892 1.00 0.00 C ATOM 399 C GLN C 33 8.115 7.056 -21.188 1.00 0.00 C ATOM 400 O GLN C 33 9.080 7.701 -20.829 1.00 0.00 O ATOM 401 CB GLN C 33 7.347 9.113 -22.380 1.00 0.00 C ATOM 402 CG GLN C 33 7.733 9.039 -23.858 1.00 0.00 C ATOM 403 CD GLN C 33 8.397 10.351 -24.278 1.00 0.00 C ATOM 404 OE1 GLN C 33 9.010 11.021 -23.471 1.00 0.00 O ATOM 405 NE2 GLN C 33 8.299 10.750 -25.517 1.00 0.00 N ATOM 0 H GLN C 33 5.751 8.732 -20.426 1.00 0.00 H new ATOM 0 HA GLN C 33 6.626 7.116 -22.744 1.00 0.00 H new ATOM 0 HB2 GLN C 33 6.528 9.819 -22.242 1.00 0.00 H new ATOM 0 HB3 GLN C 33 8.187 9.481 -21.791 1.00 0.00 H new ATOM 0 HG2 GLN C 33 8.414 8.205 -24.026 1.00 0.00 H new ATOM 0 HG3 GLN C 33 6.848 8.856 -24.467 1.00 0.00 H new ATOM 0 HE21 GLN C 33 7.784 10.188 -26.195 1.00 0.00 H new ATOM 0 HE22 GLN C 33 8.737 11.624 -25.807 1.00 0.00 H new ATOM 414 N ILE C 34 8.050 5.767 -20.990 1.00 0.00 N ATOM 415 CA ILE C 34 9.171 5.060 -20.310 1.00 0.00 C ATOM 416 C ILE C 34 10.506 5.559 -20.867 1.00 0.00 C ATOM 417 O ILE C 34 10.627 5.861 -22.038 1.00 0.00 O ATOM 418 CB ILE C 34 9.049 3.555 -20.554 1.00 0.00 C ATOM 419 CG1 ILE C 34 7.749 3.039 -19.936 1.00 0.00 C ATOM 420 CG2 ILE C 34 10.237 2.837 -19.909 1.00 0.00 C ATOM 421 CD1 ILE C 34 7.692 3.445 -18.462 1.00 0.00 C ATOM 0 H ILE C 34 7.269 5.174 -21.270 1.00 0.00 H new ATOM 0 HA ILE C 34 9.127 5.260 -19.239 1.00 0.00 H new ATOM 0 HB ILE C 34 9.043 3.362 -21.627 1.00 0.00 H new ATOM 0 HG12 ILE C 34 6.892 3.448 -20.471 1.00 0.00 H new ATOM 0 HG13 ILE C 34 7.695 1.954 -20.028 1.00 0.00 H new ATOM 0 HG21 ILE C 34 10.151 1.764 -20.082 1.00 0.00 H new ATOM 0 HG22 ILE C 34 11.165 3.203 -20.348 1.00 0.00 H new ATOM 0 HG23 ILE C 34 10.242 3.032 -18.837 1.00 0.00 H new ATOM 0 HD11 ILE C 34 6.766 3.078 -18.019 1.00 0.00 H new ATOM 0 HD12 ILE C 34 8.542 3.015 -17.933 1.00 0.00 H new ATOM 0 HD13 ILE C 34 7.727 4.532 -18.382 1.00 0.00 H new ATOM 433 N VAL C 35 11.507 5.649 -20.036 1.00 0.00 N ATOM 434 CA VAL C 35 12.835 6.128 -20.516 1.00 0.00 C ATOM 435 C VAL C 35 13.911 5.098 -20.167 1.00 0.00 C ATOM 436 O VAL C 35 14.895 4.954 -20.866 1.00 0.00 O ATOM 437 CB VAL C 35 13.170 7.460 -19.841 1.00 0.00 C ATOM 438 CG1 VAL C 35 14.517 7.969 -20.356 1.00 0.00 C ATOM 439 CG2 VAL C 35 12.079 8.483 -20.166 1.00 0.00 C ATOM 0 H VAL C 35 11.464 5.412 -19.045 1.00 0.00 H new ATOM 0 HA VAL C 35 12.801 6.263 -21.597 1.00 0.00 H new ATOM 0 HB VAL C 35 13.226 7.317 -18.762 1.00 0.00 H new ATOM 0 HG11 VAL C 35 14.755 8.918 -19.875 1.00 0.00 H new ATOM 0 HG12 VAL C 35 15.294 7.240 -20.125 1.00 0.00 H new ATOM 0 HG13 VAL C 35 14.463 8.113 -21.435 1.00 0.00 H new ATOM 0 HG21 VAL C 35 12.316 9.433 -19.686 1.00 0.00 H new ATOM 0 HG22 VAL C 35 12.024 8.626 -21.245 1.00 0.00 H new ATOM 0 HG23 VAL C 35 11.119 8.120 -19.799 1.00 0.00 H new ATOM 449 N ASN C 36 13.732 4.380 -19.092 1.00 0.00 N ATOM 450 CA ASN C 36 14.746 3.359 -18.703 1.00 0.00 C ATOM 451 C ASN C 36 14.051 2.178 -18.023 1.00 0.00 C ATOM 452 O ASN C 36 13.371 2.335 -17.028 1.00 0.00 O ATOM 453 CB ASN C 36 15.751 3.985 -17.734 1.00 0.00 C ATOM 454 CG ASN C 36 17.161 3.497 -18.073 1.00 0.00 C ATOM 455 OD1 ASN C 36 17.325 2.474 -18.710 1.00 0.00 O ATOM 456 ND2 ASN C 36 18.192 4.188 -17.671 1.00 0.00 N ATOM 0 H ASN C 36 12.929 4.456 -18.467 1.00 0.00 H new ATOM 0 HA ASN C 36 15.267 3.008 -19.594 1.00 0.00 H new ATOM 0 HB2 ASN C 36 15.706 5.072 -17.799 1.00 0.00 H new ATOM 0 HB3 ASN C 36 15.499 3.716 -16.708 1.00 0.00 H new ATOM 0 HD21 ASN C 36 19.136 3.870 -17.891 1.00 0.00 H new ATOM 0 HD22 ASN C 36 18.054 5.046 -17.137 1.00 0.00 H new ATOM 463 N ASN C 37 14.217 0.996 -18.550 1.00 0.00 N ATOM 464 CA ASN C 37 13.566 -0.194 -17.934 1.00 0.00 C ATOM 465 C ASN C 37 14.639 -1.122 -17.361 1.00 0.00 C ATOM 466 O ASN C 37 14.346 -2.049 -16.632 1.00 0.00 O ATOM 467 CB ASN C 37 12.761 -0.941 -18.999 1.00 0.00 C ATOM 468 CG ASN C 37 13.687 -1.337 -20.151 1.00 0.00 C ATOM 469 OD1 ASN C 37 13.669 -0.724 -21.199 1.00 0.00 O ATOM 470 ND2 ASN C 37 14.502 -2.345 -19.999 1.00 0.00 N ATOM 0 H ASN C 37 14.776 0.803 -19.381 1.00 0.00 H new ATOM 0 HA ASN C 37 12.900 0.128 -17.134 1.00 0.00 H new ATOM 0 HB2 ASN C 37 12.301 -1.829 -18.566 1.00 0.00 H new ATOM 0 HB3 ASN C 37 11.952 -0.310 -19.368 1.00 0.00 H new ATOM 0 HD21 ASN C 37 15.124 -2.618 -20.760 1.00 0.00 H new ATOM 0 HD22 ASN C 37 14.517 -2.860 -19.119 1.00 0.00 H new ATOM 477 N THR C 38 15.878 -0.882 -17.687 1.00 0.00 N ATOM 478 CA THR C 38 16.969 -1.750 -17.162 1.00 0.00 C ATOM 479 C THR C 38 17.468 -1.197 -15.826 1.00 0.00 C ATOM 480 O THR C 38 18.619 -1.351 -15.471 1.00 0.00 O ATOM 481 CB THR C 38 18.124 -1.779 -18.165 1.00 0.00 C ATOM 482 OG1 THR C 38 19.138 -2.654 -17.693 1.00 0.00 O ATOM 483 CG2 THR C 38 18.698 -0.371 -18.327 1.00 0.00 C ATOM 0 H THR C 38 16.183 -0.122 -18.295 1.00 0.00 H new ATOM 0 HA THR C 38 16.588 -2.761 -17.015 1.00 0.00 H new ATOM 0 HB THR C 38 17.758 -2.133 -19.129 1.00 0.00 H new ATOM 0 HG1 THR C 38 19.321 -2.464 -16.749 1.00 0.00 H new ATOM 0 HG21 THR C 38 19.521 -0.393 -19.042 1.00 0.00 H new ATOM 0 HG22 THR C 38 17.920 0.300 -18.691 1.00 0.00 H new ATOM 0 HG23 THR C 38 19.064 -0.014 -17.364 1.00 0.00 H new ATOM 491 N GLU C 39 16.611 -0.554 -15.080 1.00 0.00 N ATOM 492 CA GLU C 39 17.041 0.006 -13.768 1.00 0.00 C ATOM 493 C GLU C 39 16.649 -0.956 -12.648 1.00 0.00 C ATOM 494 O GLU C 39 17.489 -1.479 -11.942 1.00 0.00 O ATOM 495 CB GLU C 39 16.357 1.357 -13.542 1.00 0.00 C ATOM 496 CG GLU C 39 17.413 2.461 -13.498 1.00 0.00 C ATOM 497 CD GLU C 39 16.758 3.775 -13.065 1.00 0.00 C ATOM 498 OE1 GLU C 39 15.924 4.270 -13.805 1.00 0.00 O ATOM 499 OE2 GLU C 39 17.101 4.261 -12.001 1.00 0.00 O ATOM 0 H GLU C 39 15.633 -0.393 -15.322 1.00 0.00 H new ATOM 0 HA GLU C 39 18.123 0.140 -13.768 1.00 0.00 H new ATOM 0 HB2 GLU C 39 15.643 1.554 -14.342 1.00 0.00 H new ATOM 0 HB3 GLU C 39 15.794 1.340 -12.609 1.00 0.00 H new ATOM 0 HG2 GLU C 39 18.208 2.192 -12.802 1.00 0.00 H new ATOM 0 HG3 GLU C 39 17.874 2.578 -14.479 1.00 0.00 H new ATOM 506 N GLY C 40 15.381 -1.193 -12.482 1.00 0.00 N ATOM 507 CA GLY C 40 14.929 -2.121 -11.408 1.00 0.00 C ATOM 508 C GLY C 40 13.408 -2.048 -11.275 1.00 0.00 C ATOM 509 O GLY C 40 12.684 -2.186 -12.242 1.00 0.00 O ATOM 0 H GLY C 40 14.635 -0.784 -13.044 1.00 0.00 H new ATOM 0 HA2 GLY C 40 15.235 -3.141 -11.642 1.00 0.00 H new ATOM 0 HA3 GLY C 40 15.400 -1.855 -10.462 1.00 0.00 H new ATOM 513 N ASP C 41 12.917 -1.834 -10.086 1.00 0.00 N ATOM 514 CA ASP C 41 11.441 -1.753 -9.894 1.00 0.00 C ATOM 515 C ASP C 41 10.979 -0.310 -10.108 1.00 0.00 C ATOM 516 O ASP C 41 9.853 0.042 -9.817 1.00 0.00 O ATOM 517 CB ASP C 41 11.086 -2.199 -8.475 1.00 0.00 C ATOM 518 CG ASP C 41 11.146 -3.726 -8.389 1.00 0.00 C ATOM 519 OD1 ASP C 41 10.499 -4.370 -9.198 1.00 0.00 O ATOM 520 OD2 ASP C 41 11.840 -4.223 -7.518 1.00 0.00 O ATOM 0 H ASP C 41 13.473 -1.712 -9.240 1.00 0.00 H new ATOM 0 HA ASP C 41 10.944 -2.404 -10.613 1.00 0.00 H new ATOM 0 HB2 ASP C 41 11.779 -1.756 -7.759 1.00 0.00 H new ATOM 0 HB3 ASP C 41 10.088 -1.848 -8.211 1.00 0.00 H new ATOM 525 N TRP C 42 11.841 0.528 -10.616 1.00 0.00 N ATOM 526 CA TRP C 42 11.454 1.948 -10.850 1.00 0.00 C ATOM 527 C TRP C 42 12.056 2.429 -12.172 1.00 0.00 C ATOM 528 O TRP C 42 13.201 2.160 -12.476 1.00 0.00 O ATOM 529 CB TRP C 42 11.980 2.815 -9.706 1.00 0.00 C ATOM 530 CG TRP C 42 11.068 2.660 -8.487 1.00 0.00 C ATOM 531 CD1 TRP C 42 11.188 1.702 -7.553 1.00 0.00 C ATOM 532 CD2 TRP C 42 10.038 3.453 -8.198 1.00 0.00 C ATOM 533 NE1 TRP C 42 10.191 1.963 -6.707 1.00 0.00 N ATOM 534 CE2 TRP C 42 9.425 3.036 -7.032 1.00 0.00 C ATOM 535 CE3 TRP C 42 9.553 4.552 -8.876 1.00 0.00 C ATOM 536 CZ2 TRP C 42 8.328 3.718 -6.547 1.00 0.00 C ATOM 537 CZ3 TRP C 42 8.456 5.234 -8.390 1.00 0.00 C ATOM 538 CH2 TRP C 42 7.844 4.817 -7.227 1.00 0.00 C ATOM 0 H TRP C 42 12.797 0.290 -10.879 1.00 0.00 H new ATOM 0 HA TRP C 42 10.368 2.026 -10.895 1.00 0.00 H new ATOM 0 HB2 TRP C 42 12.998 2.521 -9.451 1.00 0.00 H new ATOM 0 HB3 TRP C 42 12.018 3.860 -10.015 1.00 0.00 H new ATOM 0 HD1 TRP C 42 11.919 0.909 -7.500 1.00 0.00 H new ATOM 0 HE1 TRP C 42 10.016 1.398 -5.876 1.00 0.00 H new ATOM 0 HE3 TRP C 42 10.032 4.879 -9.787 1.00 0.00 H new ATOM 0 HZ2 TRP C 42 7.848 3.392 -5.636 1.00 0.00 H new ATOM 0 HZ3 TRP C 42 8.077 6.095 -8.921 1.00 0.00 H new ATOM 0 HH2 TRP C 42 6.985 5.351 -6.848 1.00 0.00 H new ATOM 549 N TRP C 43 11.295 3.139 -12.958 1.00 0.00 N ATOM 550 CA TRP C 43 11.827 3.634 -14.258 1.00 0.00 C ATOM 551 C TRP C 43 11.537 5.129 -14.394 1.00 0.00 C ATOM 552 O TRP C 43 10.753 5.690 -13.654 1.00 0.00 O ATOM 553 CB TRP C 43 11.148 2.887 -15.408 1.00 0.00 C ATOM 554 CG TRP C 43 11.343 1.379 -15.233 1.00 0.00 C ATOM 555 CD1 TRP C 43 12.458 0.795 -14.762 1.00 0.00 C ATOM 556 CD2 TRP C 43 10.436 0.454 -15.534 1.00 0.00 C ATOM 557 NE1 TRP C 43 12.167 -0.508 -14.799 1.00 0.00 N ATOM 558 CE2 TRP C 43 10.930 -0.809 -15.265 1.00 0.00 C ATOM 559 CE3 TRP C 43 9.162 0.602 -16.043 1.00 0.00 C ATOM 560 CZ2 TRP C 43 10.147 -1.921 -15.507 1.00 0.00 C ATOM 561 CZ3 TRP C 43 8.381 -0.510 -16.284 1.00 0.00 C ATOM 562 CH2 TRP C 43 8.874 -1.771 -16.016 1.00 0.00 C ATOM 0 H TRP C 43 10.329 3.397 -12.757 1.00 0.00 H new ATOM 0 HA TRP C 43 12.903 3.463 -14.293 1.00 0.00 H new ATOM 0 HB2 TRP C 43 10.085 3.125 -15.431 1.00 0.00 H new ATOM 0 HB3 TRP C 43 11.568 3.209 -16.361 1.00 0.00 H new ATOM 0 HD1 TRP C 43 13.372 1.267 -14.432 1.00 0.00 H new ATOM 0 HE1 TRP C 43 12.828 -1.225 -14.498 1.00 0.00 H new ATOM 0 HE3 TRP C 43 8.776 1.589 -16.253 1.00 0.00 H new ATOM 0 HZ2 TRP C 43 10.532 -2.908 -15.298 1.00 0.00 H new ATOM 0 HZ3 TRP C 43 7.384 -0.393 -16.682 1.00 0.00 H new ATOM 0 HH2 TRP C 43 8.262 -2.641 -16.205 1.00 0.00 H new ATOM 573 N LEU C 44 12.165 5.778 -15.335 1.00 0.00 N ATOM 574 CA LEU C 44 11.928 7.235 -15.524 1.00 0.00 C ATOM 575 C LEU C 44 11.010 7.429 -16.728 1.00 0.00 C ATOM 576 O LEU C 44 11.354 7.083 -17.840 1.00 0.00 O ATOM 577 CB LEU C 44 13.260 7.944 -15.776 1.00 0.00 C ATOM 578 CG LEU C 44 13.022 9.450 -15.896 1.00 0.00 C ATOM 579 CD1 LEU C 44 14.348 10.188 -15.715 1.00 0.00 C ATOM 580 CD2 LEU C 44 12.448 9.771 -17.277 1.00 0.00 C ATOM 0 H LEU C 44 12.834 5.360 -15.982 1.00 0.00 H new ATOM 0 HA LEU C 44 11.465 7.655 -14.631 1.00 0.00 H new ATOM 0 HB2 LEU C 44 13.953 7.739 -14.960 1.00 0.00 H new ATOM 0 HB3 LEU C 44 13.719 7.564 -16.688 1.00 0.00 H new ATOM 0 HG LEU C 44 12.317 9.768 -15.128 1.00 0.00 H new ATOM 0 HD11 LEU C 44 14.181 11.262 -15.800 1.00 0.00 H new ATOM 0 HD12 LEU C 44 14.759 9.961 -14.731 1.00 0.00 H new ATOM 0 HD13 LEU C 44 15.051 9.868 -16.484 1.00 0.00 H new ATOM 0 HD21 LEU C 44 12.279 10.845 -17.360 1.00 0.00 H new ATOM 0 HD22 LEU C 44 13.152 9.454 -18.046 1.00 0.00 H new ATOM 0 HD23 LEU C 44 11.503 9.244 -17.410 1.00 0.00 H new ATOM 592 N ALA C 45 9.847 7.979 -16.526 1.00 0.00 N ATOM 593 CA ALA C 45 8.925 8.183 -17.675 1.00 0.00 C ATOM 594 C ALA C 45 8.633 9.671 -17.856 1.00 0.00 C ATOM 595 O ALA C 45 8.565 10.425 -16.906 1.00 0.00 O ATOM 596 CB ALA C 45 7.617 7.434 -17.418 1.00 0.00 C ATOM 0 H ALA C 45 9.497 8.294 -15.621 1.00 0.00 H new ATOM 0 HA ALA C 45 9.395 7.800 -18.581 1.00 0.00 H new ATOM 0 HB1 ALA C 45 6.941 7.583 -18.260 1.00 0.00 H new ATOM 0 HB2 ALA C 45 7.824 6.370 -17.303 1.00 0.00 H new ATOM 0 HB3 ALA C 45 7.153 7.814 -16.508 1.00 0.00 H new ATOM 602 N HIS C 46 8.463 10.097 -19.077 1.00 0.00 N ATOM 603 CA HIS C 46 8.175 11.533 -19.336 1.00 0.00 C ATOM 604 C HIS C 46 6.704 11.688 -19.727 1.00 0.00 C ATOM 605 O HIS C 46 6.179 10.928 -20.516 1.00 0.00 O ATOM 606 CB HIS C 46 9.063 12.034 -20.477 1.00 0.00 C ATOM 607 CG HIS C 46 8.565 13.401 -20.950 1.00 0.00 C ATOM 608 ND1 HIS C 46 8.682 14.485 -20.302 1.00 0.00 N ATOM 609 CD2 HIS C 46 7.914 13.752 -22.118 1.00 0.00 C ATOM 610 CE1 HIS C 46 8.168 15.458 -20.955 1.00 0.00 C ATOM 611 NE2 HIS C 46 7.663 15.072 -22.115 1.00 0.00 N ATOM 0 H HIS C 46 8.512 9.509 -19.909 1.00 0.00 H new ATOM 0 HA HIS C 46 8.379 12.116 -18.438 1.00 0.00 H new ATOM 0 HB2 HIS C 46 10.097 12.108 -20.141 1.00 0.00 H new ATOM 0 HB3 HIS C 46 9.047 11.323 -21.303 1.00 0.00 H new ATOM 0 HD1 HIS C 46 9.125 14.569 -19.387 1.00 0.00 H new ATOM 0 HD2 HIS C 46 7.648 13.070 -22.912 1.00 0.00 H new ATOM 0 HE1 HIS C 46 8.149 16.478 -20.600 1.00 0.00 H new ATOM 619 N SER C 47 6.034 12.663 -19.178 1.00 0.00 N ATOM 620 CA SER C 47 4.598 12.866 -19.518 1.00 0.00 C ATOM 621 C SER C 47 4.491 13.785 -20.737 1.00 0.00 C ATOM 622 O SER C 47 5.165 14.792 -20.827 1.00 0.00 O ATOM 623 CB SER C 47 3.877 13.506 -18.329 1.00 0.00 C ATOM 624 OG SER C 47 3.412 12.490 -17.455 1.00 0.00 O ATOM 0 H SER C 47 6.419 13.329 -18.508 1.00 0.00 H new ATOM 0 HA SER C 47 4.137 11.905 -19.745 1.00 0.00 H new ATOM 0 HB2 SER C 47 4.553 14.176 -17.798 1.00 0.00 H new ATOM 0 HB3 SER C 47 3.040 14.110 -18.680 1.00 0.00 H new ATOM 0 HG SER C 47 2.952 12.900 -16.693 1.00 0.00 H new ATOM 630 N LEU C 48 3.650 13.446 -21.676 1.00 0.00 N ATOM 631 CA LEU C 48 3.503 14.303 -22.885 1.00 0.00 C ATOM 632 C LEU C 48 2.428 15.362 -22.636 1.00 0.00 C ATOM 633 O LEU C 48 1.901 15.954 -23.558 1.00 0.00 O ATOM 634 CB LEU C 48 3.097 13.434 -24.078 1.00 0.00 C ATOM 635 CG LEU C 48 4.025 12.221 -24.165 1.00 0.00 C ATOM 636 CD1 LEU C 48 3.780 11.485 -25.483 1.00 0.00 C ATOM 637 CD2 LEU C 48 5.481 12.687 -24.103 1.00 0.00 C ATOM 0 H LEU C 48 3.060 12.614 -21.658 1.00 0.00 H new ATOM 0 HA LEU C 48 4.452 14.795 -23.098 1.00 0.00 H new ATOM 0 HB2 LEU C 48 2.063 13.107 -23.968 1.00 0.00 H new ATOM 0 HB3 LEU C 48 3.152 14.014 -24.999 1.00 0.00 H new ATOM 0 HG LEU C 48 3.823 11.549 -23.331 1.00 0.00 H new ATOM 0 HD11 LEU C 48 4.441 10.621 -25.545 1.00 0.00 H new ATOM 0 HD12 LEU C 48 2.743 11.153 -25.527 1.00 0.00 H new ATOM 0 HD13 LEU C 48 3.981 12.157 -26.318 1.00 0.00 H new ATOM 0 HD21 LEU C 48 6.143 11.823 -24.165 1.00 0.00 H new ATOM 0 HD22 LEU C 48 5.684 13.360 -24.936 1.00 0.00 H new ATOM 0 HD23 LEU C 48 5.656 13.211 -23.163 1.00 0.00 H new ATOM 649 N THR C 49 2.099 15.608 -21.397 1.00 0.00 N ATOM 650 CA THR C 49 1.057 16.630 -21.095 1.00 0.00 C ATOM 651 C THR C 49 1.682 18.026 -21.169 1.00 0.00 C ATOM 652 O THR C 49 1.585 18.706 -22.171 1.00 0.00 O ATOM 653 CB THR C 49 0.497 16.394 -19.689 1.00 0.00 C ATOM 654 OG1 THR C 49 1.144 15.272 -19.104 1.00 0.00 O ATOM 655 CG2 THR C 49 -1.007 16.128 -19.774 1.00 0.00 C ATOM 0 H THR C 49 2.505 15.147 -20.583 1.00 0.00 H new ATOM 0 HA THR C 49 0.249 16.552 -21.822 1.00 0.00 H new ATOM 0 HB THR C 49 0.674 17.277 -19.076 1.00 0.00 H new ATOM 0 HG1 THR C 49 0.787 15.121 -18.204 1.00 0.00 H new ATOM 0 HG21 THR C 49 -1.404 15.960 -18.773 1.00 0.00 H new ATOM 0 HG22 THR C 49 -1.504 16.989 -20.222 1.00 0.00 H new ATOM 0 HG23 THR C 49 -1.186 15.245 -20.388 1.00 0.00 H new ATOM 663 N THR C 50 2.324 18.458 -20.119 1.00 0.00 N ATOM 664 CA THR C 50 2.954 19.809 -20.134 1.00 0.00 C ATOM 665 C THR C 50 4.393 19.692 -20.640 1.00 0.00 C ATOM 666 O THR C 50 4.881 20.545 -21.354 1.00 0.00 O ATOM 667 CB THR C 50 2.953 20.390 -18.717 1.00 0.00 C ATOM 668 OG1 THR C 50 3.266 21.775 -18.775 1.00 0.00 O ATOM 669 CG2 THR C 50 3.994 19.666 -17.863 1.00 0.00 C ATOM 0 H THR C 50 2.440 17.934 -19.251 1.00 0.00 H new ATOM 0 HA THR C 50 2.389 20.468 -20.794 1.00 0.00 H new ATOM 0 HB THR C 50 1.967 20.257 -18.272 1.00 0.00 H new ATOM 0 HG1 THR C 50 3.264 22.149 -17.869 1.00 0.00 H new ATOM 0 HG21 THR C 50 3.991 20.082 -16.855 1.00 0.00 H new ATOM 0 HG22 THR C 50 3.753 18.604 -17.818 1.00 0.00 H new ATOM 0 HG23 THR C 50 4.982 19.795 -18.306 1.00 0.00 H new ATOM 677 N GLY C 51 5.073 18.641 -20.276 1.00 0.00 N ATOM 678 CA GLY C 51 6.480 18.466 -20.734 1.00 0.00 C ATOM 679 C GLY C 51 7.406 18.419 -19.517 1.00 0.00 C ATOM 680 O GLY C 51 8.233 19.286 -19.321 1.00 0.00 O ATOM 0 H GLY C 51 4.715 17.894 -19.680 1.00 0.00 H new ATOM 0 HA2 GLY C 51 6.574 17.547 -21.313 1.00 0.00 H new ATOM 0 HA3 GLY C 51 6.766 19.288 -21.391 1.00 0.00 H new ATOM 684 N GLN C 52 7.275 17.411 -18.698 1.00 0.00 N ATOM 685 CA GLN C 52 8.149 17.311 -17.495 1.00 0.00 C ATOM 686 C GLN C 52 8.514 15.846 -17.246 1.00 0.00 C ATOM 687 O GLN C 52 7.878 14.943 -17.752 1.00 0.00 O ATOM 688 CB GLN C 52 7.405 17.864 -16.277 1.00 0.00 C ATOM 689 CG GLN C 52 7.150 19.359 -16.471 1.00 0.00 C ATOM 690 CD GLN C 52 7.463 20.102 -15.171 1.00 0.00 C ATOM 691 OE1 GLN C 52 6.566 20.544 -14.480 1.00 0.00 O ATOM 692 NE2 GLN C 52 8.706 20.260 -14.807 1.00 0.00 N ATOM 0 H GLN C 52 6.601 16.653 -18.810 1.00 0.00 H new ATOM 0 HA GLN C 52 9.059 17.888 -17.660 1.00 0.00 H new ATOM 0 HB2 GLN C 52 6.460 17.337 -16.145 1.00 0.00 H new ATOM 0 HB3 GLN C 52 7.991 17.698 -15.373 1.00 0.00 H new ATOM 0 HG2 GLN C 52 7.771 19.743 -17.280 1.00 0.00 H new ATOM 0 HG3 GLN C 52 6.112 19.528 -16.758 1.00 0.00 H new ATOM 0 HE21 GLN C 52 9.458 19.889 -15.387 1.00 0.00 H new ATOM 0 HE22 GLN C 52 8.925 20.755 -13.942 1.00 0.00 H new ATOM 701 N THR C 53 9.533 15.604 -16.468 1.00 0.00 N ATOM 702 CA THR C 53 9.939 14.200 -16.185 1.00 0.00 C ATOM 703 C THR C 53 9.304 13.754 -14.860 1.00 0.00 C ATOM 704 O THR C 53 8.927 14.564 -14.038 1.00 0.00 O ATOM 705 CB THR C 53 11.482 14.122 -16.128 1.00 0.00 C ATOM 706 OG1 THR C 53 11.939 13.232 -17.136 1.00 0.00 O ATOM 707 CG2 THR C 53 11.975 13.625 -14.760 1.00 0.00 C ATOM 0 H THR C 53 10.102 16.319 -16.016 1.00 0.00 H new ATOM 0 HA THR C 53 9.593 13.531 -16.973 1.00 0.00 H new ATOM 0 HB THR C 53 11.878 15.125 -16.288 1.00 0.00 H new ATOM 0 HG1 THR C 53 12.917 13.179 -17.107 1.00 0.00 H new ATOM 0 HG21 THR C 53 13.064 13.584 -14.759 1.00 0.00 H new ATOM 0 HG22 THR C 53 11.637 14.309 -13.981 1.00 0.00 H new ATOM 0 HG23 THR C 53 11.574 12.630 -14.568 1.00 0.00 H new ATOM 715 N GLY C 54 9.184 12.472 -14.649 1.00 0.00 N ATOM 716 CA GLY C 54 8.575 11.985 -13.381 1.00 0.00 C ATOM 717 C GLY C 54 8.890 10.499 -13.194 1.00 0.00 C ATOM 718 O GLY C 54 8.638 9.686 -14.061 1.00 0.00 O ATOM 0 H GLY C 54 9.481 11.743 -15.298 1.00 0.00 H new ATOM 0 HA2 GLY C 54 8.961 12.557 -12.538 1.00 0.00 H new ATOM 0 HA3 GLY C 54 7.496 12.138 -13.402 1.00 0.00 H new ATOM 722 N TYR C 55 9.444 10.140 -12.069 1.00 0.00 N ATOM 723 CA TYR C 55 9.776 8.714 -11.819 1.00 0.00 C ATOM 724 C TYR C 55 8.485 7.932 -11.567 1.00 0.00 C ATOM 725 O TYR C 55 7.764 8.197 -10.627 1.00 0.00 O ATOM 726 CB TYR C 55 10.680 8.619 -10.588 1.00 0.00 C ATOM 727 CG TYR C 55 12.073 9.172 -10.914 1.00 0.00 C ATOM 728 CD1 TYR C 55 12.308 9.850 -12.095 1.00 0.00 C ATOM 729 CD2 TYR C 55 13.114 9.002 -10.025 1.00 0.00 C ATOM 730 CE1 TYR C 55 13.563 10.349 -12.378 1.00 0.00 C ATOM 731 CE2 TYR C 55 14.368 9.501 -10.308 1.00 0.00 C ATOM 732 CZ TYR C 55 14.603 10.179 -11.487 1.00 0.00 C ATOM 733 OH TYR C 55 15.857 10.678 -11.771 1.00 0.00 O ATOM 0 H TYR C 55 9.681 10.778 -11.310 1.00 0.00 H new ATOM 0 HA TYR C 55 10.291 8.296 -12.684 1.00 0.00 H new ATOM 0 HB2 TYR C 55 10.242 9.179 -9.761 1.00 0.00 H new ATOM 0 HB3 TYR C 55 10.759 7.581 -10.264 1.00 0.00 H new ATOM 0 HD1 TYR C 55 11.503 9.990 -12.802 1.00 0.00 H new ATOM 0 HD2 TYR C 55 12.945 8.473 -9.099 1.00 0.00 H new ATOM 0 HE1 TYR C 55 13.733 10.877 -13.305 1.00 0.00 H new ATOM 0 HE2 TYR C 55 15.173 9.360 -9.601 1.00 0.00 H new ATOM 0 HH TYR C 55 16.467 10.468 -11.033 1.00 0.00 H new ATOM 743 N ILE C 56 8.187 6.970 -12.398 1.00 0.00 N ATOM 744 CA ILE C 56 6.942 6.177 -12.200 1.00 0.00 C ATOM 745 C ILE C 56 7.310 4.742 -11.797 1.00 0.00 C ATOM 746 O ILE C 56 8.248 4.178 -12.324 1.00 0.00 O ATOM 747 CB ILE C 56 6.147 6.148 -13.506 1.00 0.00 C ATOM 748 CG1 ILE C 56 7.061 5.702 -14.648 1.00 0.00 C ATOM 749 CG2 ILE C 56 5.608 7.550 -13.803 1.00 0.00 C ATOM 750 CD1 ILE C 56 6.349 4.638 -15.485 1.00 0.00 C ATOM 0 H ILE C 56 8.751 6.700 -13.204 1.00 0.00 H new ATOM 0 HA ILE C 56 6.340 6.634 -11.415 1.00 0.00 H new ATOM 0 HB ILE C 56 5.315 5.450 -13.412 1.00 0.00 H new ATOM 0 HG12 ILE C 56 7.323 6.556 -15.273 1.00 0.00 H new ATOM 0 HG13 ILE C 56 7.992 5.302 -14.247 1.00 0.00 H new ATOM 0 HG21 ILE C 56 5.041 7.532 -14.734 1.00 0.00 H new ATOM 0 HG22 ILE C 56 4.959 7.870 -12.988 1.00 0.00 H new ATOM 0 HG23 ILE C 56 6.440 8.247 -13.899 1.00 0.00 H new ATOM 0 HD11 ILE C 56 7.000 4.320 -16.299 1.00 0.00 H new ATOM 0 HD12 ILE C 56 6.109 3.781 -14.856 1.00 0.00 H new ATOM 0 HD13 ILE C 56 5.430 5.054 -15.897 1.00 0.00 H new ATOM 762 N PRO C 57 6.559 4.193 -10.872 1.00 0.00 N ATOM 763 CA PRO C 57 6.796 2.822 -10.387 1.00 0.00 C ATOM 764 C PRO C 57 6.584 1.821 -11.527 1.00 0.00 C ATOM 765 O PRO C 57 5.860 2.082 -12.467 1.00 0.00 O ATOM 766 CB PRO C 57 5.754 2.610 -9.281 1.00 0.00 C ATOM 767 CG PRO C 57 4.880 3.888 -9.206 1.00 0.00 C ATOM 768 CD PRO C 57 5.427 4.890 -10.236 1.00 0.00 C ATOM 0 HA PRO C 57 7.812 2.678 -10.021 1.00 0.00 H new ATOM 0 HB2 PRO C 57 5.138 1.737 -9.498 1.00 0.00 H new ATOM 0 HB3 PRO C 57 6.243 2.425 -8.325 1.00 0.00 H new ATOM 0 HG2 PRO C 57 3.838 3.651 -9.419 1.00 0.00 H new ATOM 0 HG3 PRO C 57 4.912 4.315 -8.203 1.00 0.00 H new ATOM 0 HD2 PRO C 57 4.666 5.160 -10.968 1.00 0.00 H new ATOM 0 HD3 PRO C 57 5.750 5.814 -9.757 1.00 0.00 H new ATOM 776 N SER C 58 7.208 0.678 -11.451 1.00 0.00 N ATOM 777 CA SER C 58 7.040 -0.335 -12.530 1.00 0.00 C ATOM 778 C SER C 58 5.860 -1.251 -12.194 1.00 0.00 C ATOM 779 O SER C 58 5.192 -1.765 -13.070 1.00 0.00 O ATOM 780 CB SER C 58 8.324 -1.163 -12.653 1.00 0.00 C ATOM 781 OG SER C 58 8.071 -2.508 -12.270 1.00 0.00 O ATOM 0 H SER C 58 7.827 0.402 -10.689 1.00 0.00 H new ATOM 0 HA SER C 58 6.843 0.168 -13.477 1.00 0.00 H new ATOM 0 HB2 SER C 58 8.691 -1.131 -13.679 1.00 0.00 H new ATOM 0 HB3 SER C 58 9.104 -0.737 -12.022 1.00 0.00 H new ATOM 0 HG SER C 58 8.895 -3.032 -12.352 1.00 0.00 H new ATOM 787 N ASN C 59 5.597 -1.460 -10.933 1.00 0.00 N ATOM 788 CA ASN C 59 4.461 -2.344 -10.545 1.00 0.00 C ATOM 789 C ASN C 59 3.136 -1.611 -10.768 1.00 0.00 C ATOM 790 O ASN C 59 2.074 -2.197 -10.706 1.00 0.00 O ATOM 791 CB ASN C 59 4.589 -2.719 -9.067 1.00 0.00 C ATOM 792 CG ASN C 59 5.747 -3.704 -8.890 1.00 0.00 C ATOM 793 OD1 ASN C 59 6.585 -3.525 -8.030 1.00 0.00 O ATOM 794 ND2 ASN C 59 5.827 -4.744 -9.674 1.00 0.00 N ATOM 0 H ASN C 59 6.119 -1.057 -10.155 1.00 0.00 H new ATOM 0 HA ASN C 59 4.483 -3.246 -11.156 1.00 0.00 H new ATOM 0 HB2 ASN C 59 4.763 -1.825 -8.468 1.00 0.00 H new ATOM 0 HB3 ASN C 59 3.660 -3.165 -8.712 1.00 0.00 H new ATOM 0 HD21 ASN C 59 6.594 -5.407 -9.565 1.00 0.00 H new ATOM 0 HD22 ASN C 59 5.122 -4.894 -10.396 1.00 0.00 H new ATOM 801 N TYR C 60 3.188 -0.334 -11.030 1.00 0.00 N ATOM 802 CA TYR C 60 1.928 0.428 -11.255 1.00 0.00 C ATOM 803 C TYR C 60 1.689 0.601 -12.756 1.00 0.00 C ATOM 804 O TYR C 60 0.711 1.185 -13.171 1.00 0.00 O ATOM 805 CB TYR C 60 2.040 1.807 -10.595 1.00 0.00 C ATOM 806 CG TYR C 60 1.544 1.727 -9.147 1.00 0.00 C ATOM 807 CD1 TYR C 60 1.430 0.510 -8.509 1.00 0.00 C ATOM 808 CD2 TYR C 60 1.210 2.876 -8.459 1.00 0.00 C ATOM 809 CE1 TYR C 60 0.988 0.441 -7.203 1.00 0.00 C ATOM 810 CE2 TYR C 60 0.768 2.807 -7.153 1.00 0.00 C ATOM 811 CZ TYR C 60 0.654 1.589 -6.515 1.00 0.00 C ATOM 812 OH TYR C 60 0.212 1.520 -5.210 1.00 0.00 O ATOM 0 H TYR C 60 4.046 0.213 -11.098 1.00 0.00 H new ATOM 0 HA TYR C 60 1.094 -0.120 -10.818 1.00 0.00 H new ATOM 0 HB2 TYR C 60 3.075 2.149 -10.617 1.00 0.00 H new ATOM 0 HB3 TYR C 60 1.452 2.536 -11.152 1.00 0.00 H new ATOM 0 HD1 TYR C 60 1.689 -0.397 -9.035 1.00 0.00 H new ATOM 0 HD2 TYR C 60 1.295 3.836 -8.946 1.00 0.00 H new ATOM 0 HE1 TYR C 60 0.903 -0.519 -6.716 1.00 0.00 H new ATOM 0 HE2 TYR C 60 0.509 3.714 -6.626 1.00 0.00 H new ATOM 0 HH TYR C 60 0.272 0.595 -4.893 1.00 0.00 H new ATOM 822 N VAL C 61 2.572 0.097 -13.577 1.00 0.00 N ATOM 823 CA VAL C 61 2.378 0.242 -15.048 1.00 0.00 C ATOM 824 C VAL C 61 2.480 -1.130 -15.720 1.00 0.00 C ATOM 825 O VAL C 61 2.505 -2.156 -15.071 1.00 0.00 O ATOM 826 CB VAL C 61 3.445 1.196 -15.616 1.00 0.00 C ATOM 827 CG1 VAL C 61 4.733 0.432 -15.946 1.00 0.00 C ATOM 828 CG2 VAL C 61 2.910 1.877 -16.873 1.00 0.00 C ATOM 0 H VAL C 61 3.414 -0.405 -13.295 1.00 0.00 H new ATOM 0 HA VAL C 61 1.390 0.657 -15.247 1.00 0.00 H new ATOM 0 HB VAL C 61 3.674 1.951 -14.863 1.00 0.00 H new ATOM 0 HG11 VAL C 61 5.474 1.124 -16.346 1.00 0.00 H new ATOM 0 HG12 VAL C 61 5.122 -0.033 -15.040 1.00 0.00 H new ATOM 0 HG13 VAL C 61 4.519 -0.339 -16.687 1.00 0.00 H new ATOM 0 HG21 VAL C 61 3.668 2.551 -17.272 1.00 0.00 H new ATOM 0 HG22 VAL C 61 2.666 1.122 -17.620 1.00 0.00 H new ATOM 0 HG23 VAL C 61 2.013 2.445 -16.625 1.00 0.00 H new ATOM 838 N ALA C 62 2.538 -1.144 -17.019 1.00 0.00 N ATOM 839 CA ALA C 62 2.639 -2.434 -17.755 1.00 0.00 C ATOM 840 C ALA C 62 2.665 -2.156 -19.262 1.00 0.00 C ATOM 841 O ALA C 62 2.104 -1.178 -19.720 1.00 0.00 O ATOM 842 CB ALA C 62 1.432 -3.312 -17.418 1.00 0.00 C ATOM 0 H ALA C 62 2.520 -0.312 -17.608 1.00 0.00 H new ATOM 0 HA ALA C 62 3.553 -2.950 -17.463 1.00 0.00 H new ATOM 0 HB1 ALA C 62 1.507 -4.256 -17.957 1.00 0.00 H new ATOM 0 HB2 ALA C 62 1.412 -3.507 -16.346 1.00 0.00 H new ATOM 0 HB3 ALA C 62 0.516 -2.799 -17.710 1.00 0.00 H new ATOM 848 N PRO C 63 3.329 -3.023 -19.986 1.00 0.00 N ATOM 849 CA PRO C 63 3.448 -2.898 -21.449 1.00 0.00 C ATOM 850 C PRO C 63 2.071 -3.034 -22.104 1.00 0.00 C ATOM 851 O PRO C 63 1.694 -4.094 -22.565 1.00 0.00 O ATOM 852 CB PRO C 63 4.358 -4.061 -21.870 1.00 0.00 C ATOM 853 CG PRO C 63 4.713 -4.868 -20.593 1.00 0.00 C ATOM 854 CD PRO C 63 4.029 -4.183 -19.401 1.00 0.00 C ATOM 0 HA PRO C 63 3.851 -1.931 -21.751 1.00 0.00 H new ATOM 0 HB2 PRO C 63 3.854 -4.698 -22.597 1.00 0.00 H new ATOM 0 HB3 PRO C 63 5.262 -3.685 -22.349 1.00 0.00 H new ATOM 0 HG2 PRO C 63 4.375 -5.900 -20.687 1.00 0.00 H new ATOM 0 HG3 PRO C 63 5.793 -4.899 -20.448 1.00 0.00 H new ATOM 0 HD2 PRO C 63 3.331 -4.857 -18.904 1.00 0.00 H new ATOM 0 HD3 PRO C 63 4.757 -3.870 -18.653 1.00 0.00 H new ATOM 862 N SER C 64 1.315 -1.972 -22.149 1.00 0.00 N ATOM 863 CA SER C 64 -0.036 -2.045 -22.774 1.00 0.00 C ATOM 864 C SER C 64 -0.887 -3.076 -22.030 1.00 0.00 C ATOM 865 O SER C 64 -1.555 -2.693 -21.083 1.00 0.00 O ATOM 866 CB SER C 64 0.104 -2.460 -24.240 1.00 0.00 C ATOM 867 OG SER C 64 -1.053 -3.181 -24.640 1.00 0.00 O ATOM 868 OXT SER C 64 -0.858 -4.232 -22.420 1.00 0.00 O ATOM 0 H SER C 64 1.574 -1.057 -21.780 1.00 0.00 H new ATOM 0 HA SER C 64 -0.517 -1.069 -22.717 1.00 0.00 H new ATOM 0 HB2 SER C 64 0.232 -1.578 -24.868 1.00 0.00 H new ATOM 0 HB3 SER C 64 0.993 -3.076 -24.371 1.00 0.00 H new ATOM 0 HG SER C 64 -1.062 -4.056 -24.199 1.00 0.00 H new TER 874 SER C 64 ATOM 875 N ARG R 71 13.993 2.843 -2.110 1.00 0.00 N ATOM 876 CA ARG R 71 12.765 3.140 -2.899 1.00 0.00 C ATOM 877 C ARG R 71 11.767 1.989 -2.741 1.00 0.00 C ATOM 878 O ARG R 71 11.612 1.166 -3.621 1.00 0.00 O ATOM 879 CB ARG R 71 13.132 3.297 -4.376 1.00 0.00 C ATOM 880 CG ARG R 71 11.969 3.954 -5.124 1.00 0.00 C ATOM 881 CD ARG R 71 12.360 5.378 -5.526 1.00 0.00 C ATOM 882 NE ARG R 71 11.287 6.324 -5.109 1.00 0.00 N ATOM 883 CZ ARG R 71 11.355 7.584 -5.450 1.00 0.00 C ATOM 884 NH1 ARG R 71 12.364 8.019 -6.158 1.00 0.00 N ATOM 885 NH2 ARG R 71 10.413 8.409 -5.083 1.00 0.00 N ATOM 0 HA ARG R 71 12.315 4.064 -2.537 1.00 0.00 H new ATOM 0 HB2 ARG R 71 14.032 3.904 -4.476 1.00 0.00 H new ATOM 0 HB3 ARG R 71 13.355 2.323 -4.812 1.00 0.00 H new ATOM 0 HG2 ARG R 71 11.717 3.371 -6.010 1.00 0.00 H new ATOM 0 HG3 ARG R 71 11.081 3.974 -4.492 1.00 0.00 H new ATOM 0 HD2 ARG R 71 13.305 5.653 -5.057 1.00 0.00 H new ATOM 0 HD3 ARG R 71 12.511 5.435 -6.604 1.00 0.00 H new ATOM 0 HE ARG R 71 10.498 5.988 -4.557 1.00 0.00 H new ATOM 0 HH11 ARG R 71 13.101 7.375 -6.446 1.00 0.00 H new ATOM 0 HH12 ARG R 71 12.415 9.003 -6.423 1.00 0.00 H new ATOM 0 HH21 ARG R 71 9.625 8.070 -4.531 1.00 0.00 H new ATOM 0 HH22 ARG R 71 10.465 9.393 -5.348 1.00 0.00 H new ATOM 901 N ALA R 72 11.090 1.926 -1.627 1.00 0.00 N ATOM 902 CA ALA R 72 10.105 0.829 -1.415 1.00 0.00 C ATOM 903 C ALA R 72 8.962 0.966 -2.423 1.00 0.00 C ATOM 904 O ALA R 72 8.232 1.938 -2.421 1.00 0.00 O ATOM 905 CB ALA R 72 9.544 0.913 0.005 1.00 0.00 C ATOM 0 H ALA R 72 11.177 2.587 -0.855 1.00 0.00 H new ATOM 0 HA ALA R 72 10.599 -0.133 -1.554 1.00 0.00 H new ATOM 0 HB1 ALA R 72 8.823 0.110 0.160 1.00 0.00 H new ATOM 0 HB2 ALA R 72 10.357 0.814 0.724 1.00 0.00 H new ATOM 0 HB3 ALA R 72 9.051 1.875 0.145 1.00 0.00 H new ATOM 911 N LEU R 73 8.800 0.000 -3.286 1.00 0.00 N ATOM 912 CA LEU R 73 7.703 0.076 -4.292 1.00 0.00 C ATOM 913 C LEU R 73 6.392 0.445 -3.591 1.00 0.00 C ATOM 914 O LEU R 73 6.219 0.167 -2.421 1.00 0.00 O ATOM 915 CB LEU R 73 7.548 -1.282 -4.983 1.00 0.00 C ATOM 916 CG LEU R 73 8.587 -1.407 -6.099 1.00 0.00 C ATOM 917 CD1 LEU R 73 8.717 -2.873 -6.513 1.00 0.00 C ATOM 918 CD2 LEU R 73 8.144 -0.575 -7.302 1.00 0.00 C ATOM 0 H LEU R 73 9.379 -0.838 -3.338 1.00 0.00 H new ATOM 0 HA LEU R 73 7.944 0.836 -5.035 1.00 0.00 H new ATOM 0 HB2 LEU R 73 7.677 -2.087 -4.260 1.00 0.00 H new ATOM 0 HB3 LEU R 73 6.543 -1.381 -5.394 1.00 0.00 H new ATOM 0 HG LEU R 73 9.551 -1.044 -5.741 1.00 0.00 H new ATOM 0 HD11 LEU R 73 9.457 -2.962 -7.308 1.00 0.00 H new ATOM 0 HD12 LEU R 73 9.033 -3.467 -5.655 1.00 0.00 H new ATOM 0 HD13 LEU R 73 7.754 -3.237 -6.871 1.00 0.00 H new ATOM 0 HD21 LEU R 73 8.884 -0.663 -8.098 1.00 0.00 H new ATOM 0 HD22 LEU R 73 7.181 -0.938 -7.660 1.00 0.00 H new ATOM 0 HD23 LEU R 73 8.051 0.470 -7.007 1.00 0.00 H new ATOM 930 N PRO R 74 5.507 1.064 -4.331 1.00 0.00 N ATOM 931 CA PRO R 74 4.199 1.485 -3.800 1.00 0.00 C ATOM 932 C PRO R 74 3.376 0.259 -3.387 1.00 0.00 C ATOM 933 O PRO R 74 3.487 -0.791 -3.988 1.00 0.00 O ATOM 934 CB PRO R 74 3.524 2.222 -4.958 1.00 0.00 C ATOM 935 CG PRO R 74 4.459 2.124 -6.191 1.00 0.00 C ATOM 936 CD PRO R 74 5.738 1.393 -5.749 1.00 0.00 C ATOM 0 HA PRO R 74 4.293 2.115 -2.915 1.00 0.00 H new ATOM 0 HB2 PRO R 74 2.553 1.779 -5.179 1.00 0.00 H new ATOM 0 HB3 PRO R 74 3.346 3.265 -4.695 1.00 0.00 H new ATOM 0 HG2 PRO R 74 3.969 1.583 -7.001 1.00 0.00 H new ATOM 0 HG3 PRO R 74 4.698 3.118 -6.570 1.00 0.00 H new ATOM 0 HD2 PRO R 74 5.906 0.494 -6.342 1.00 0.00 H new ATOM 0 HD3 PRO R 74 6.618 2.025 -5.871 1.00 0.00 H new ATOM 944 N PRO R 75 2.570 0.431 -2.370 1.00 0.00 N ATOM 945 CA PRO R 75 1.714 -0.651 -1.853 1.00 0.00 C ATOM 946 C PRO R 75 0.734 -1.112 -2.936 1.00 0.00 C ATOM 947 O PRO R 75 -0.062 -0.341 -3.435 1.00 0.00 O ATOM 948 CB PRO R 75 0.958 -0.027 -0.673 1.00 0.00 C ATOM 949 CG PRO R 75 1.407 1.453 -0.554 1.00 0.00 C ATOM 950 CD PRO R 75 2.449 1.716 -1.654 1.00 0.00 C ATOM 0 HA PRO R 75 2.289 -1.527 -1.552 1.00 0.00 H new ATOM 0 HB2 PRO R 75 -0.118 -0.088 -0.833 1.00 0.00 H new ATOM 0 HB3 PRO R 75 1.174 -0.567 0.249 1.00 0.00 H new ATOM 0 HG2 PRO R 75 0.554 2.122 -0.668 1.00 0.00 H new ATOM 0 HG3 PRO R 75 1.834 1.645 0.431 1.00 0.00 H new ATOM 0 HD2 PRO R 75 2.126 2.513 -2.323 1.00 0.00 H new ATOM 0 HD3 PRO R 75 3.404 2.024 -1.229 1.00 0.00 H new ATOM 958 N LEU R 76 0.784 -2.363 -3.301 1.00 0.00 N ATOM 959 CA LEU R 76 -0.146 -2.871 -4.350 1.00 0.00 C ATOM 960 C LEU R 76 -1.539 -3.063 -3.745 1.00 0.00 C ATOM 961 O LEU R 76 -1.684 -3.143 -2.541 1.00 0.00 O ATOM 962 CB LEU R 76 0.372 -4.209 -4.882 1.00 0.00 C ATOM 963 CG LEU R 76 1.501 -3.956 -5.882 1.00 0.00 C ATOM 964 CD1 LEU R 76 2.187 -5.281 -6.221 1.00 0.00 C ATOM 965 CD2 LEU R 76 0.925 -3.338 -7.158 1.00 0.00 C ATOM 0 H LEU R 76 1.428 -3.056 -2.919 1.00 0.00 H new ATOM 0 HA LEU R 76 -0.203 -2.153 -5.168 1.00 0.00 H new ATOM 0 HB2 LEU R 76 0.732 -4.825 -4.058 1.00 0.00 H new ATOM 0 HB3 LEU R 76 -0.437 -4.760 -5.362 1.00 0.00 H new ATOM 0 HG LEU R 76 2.228 -3.272 -5.444 1.00 0.00 H new ATOM 0 HD11 LEU R 76 2.992 -5.102 -6.934 1.00 0.00 H new ATOM 0 HD12 LEU R 76 2.598 -5.721 -5.312 1.00 0.00 H new ATOM 0 HD13 LEU R 76 1.460 -5.965 -6.659 1.00 0.00 H new ATOM 0 HD21 LEU R 76 1.730 -3.158 -7.870 1.00 0.00 H new ATOM 0 HD22 LEU R 76 0.198 -4.021 -7.597 1.00 0.00 H new ATOM 0 HD23 LEU R 76 0.436 -2.394 -6.917 1.00 0.00 H new ATOM 977 N PRO R 77 -2.528 -3.131 -4.602 1.00 0.00 N ATOM 978 CA PRO R 77 -3.926 -3.313 -4.173 1.00 0.00 C ATOM 979 C PRO R 77 -4.078 -4.629 -3.406 1.00 0.00 C ATOM 980 O PRO R 77 -3.113 -5.312 -3.128 1.00 0.00 O ATOM 981 CB PRO R 77 -4.736 -3.348 -5.476 1.00 0.00 C ATOM 982 CG PRO R 77 -3.743 -3.176 -6.654 1.00 0.00 C ATOM 983 CD PRO R 77 -2.332 -3.038 -6.061 1.00 0.00 C ATOM 0 HA PRO R 77 -4.262 -2.520 -3.505 1.00 0.00 H new ATOM 0 HB2 PRO R 77 -5.276 -4.291 -5.565 1.00 0.00 H new ATOM 0 HB3 PRO R 77 -5.481 -2.552 -5.485 1.00 0.00 H new ATOM 0 HG2 PRO R 77 -3.793 -4.034 -7.325 1.00 0.00 H new ATOM 0 HG3 PRO R 77 -3.998 -2.295 -7.243 1.00 0.00 H new ATOM 0 HD2 PRO R 77 -1.672 -3.826 -6.423 1.00 0.00 H new ATOM 0 HD3 PRO R 77 -1.877 -2.088 -6.340 1.00 0.00 H new ATOM 991 N ARG R 78 -5.285 -4.990 -3.063 1.00 0.00 N ATOM 992 CA ARG R 78 -5.498 -6.261 -2.315 1.00 0.00 C ATOM 993 C ARG R 78 -4.650 -7.370 -2.940 1.00 0.00 C ATOM 994 O ARG R 78 -3.504 -7.561 -2.586 1.00 0.00 O ATOM 995 CB ARG R 78 -6.978 -6.648 -2.380 1.00 0.00 C ATOM 996 CG ARG R 78 -7.658 -6.294 -1.054 1.00 0.00 C ATOM 997 CD ARG R 78 -9.105 -6.807 -1.048 1.00 0.00 C ATOM 998 NE ARG R 78 -9.253 -7.941 -2.007 1.00 0.00 N ATOM 999 CZ ARG R 78 -9.469 -7.710 -3.278 1.00 0.00 C ATOM 1000 NH1 ARG R 78 -9.535 -6.483 -3.726 1.00 0.00 N ATOM 1001 NH2 ARG R 78 -9.615 -8.709 -4.104 1.00 0.00 N ATOM 0 H ARG R 78 -6.132 -4.460 -3.268 1.00 0.00 H new ATOM 0 HA ARG R 78 -5.204 -6.125 -1.274 1.00 0.00 H new ATOM 0 HB2 ARG R 78 -7.466 -6.124 -3.202 1.00 0.00 H new ATOM 0 HB3 ARG R 78 -7.077 -7.715 -2.578 1.00 0.00 H new ATOM 0 HG2 ARG R 78 -7.105 -6.734 -0.224 1.00 0.00 H new ATOM 0 HG3 ARG R 78 -7.647 -5.214 -0.908 1.00 0.00 H new ATOM 0 HD2 ARG R 78 -9.379 -7.132 -0.044 1.00 0.00 H new ATOM 0 HD3 ARG R 78 -9.786 -6.000 -1.319 1.00 0.00 H new ATOM 0 HE ARG R 78 -9.186 -8.902 -1.671 1.00 0.00 H new ATOM 0 HH11 ARG R 78 -9.418 -5.699 -3.084 1.00 0.00 H new ATOM 0 HH12 ARG R 78 -9.703 -6.310 -4.717 1.00 0.00 H new ATOM 0 HH21 ARG R 78 -9.561 -9.668 -3.760 1.00 0.00 H new ATOM 0 HH22 ARG R 78 -9.783 -8.532 -5.094 1.00 0.00 H new ATOM 1015 N TYR R 79 -5.202 -8.100 -3.870 1.00 0.00 N ATOM 1016 CA TYR R 79 -4.426 -9.195 -4.517 1.00 0.00 C ATOM 1017 C TYR R 79 -3.654 -9.976 -3.452 1.00 0.00 C ATOM 1018 O TYR R 79 -4.206 -10.189 -2.384 1.00 0.00 O ATOM 1019 CB TYR R 79 -3.443 -8.595 -5.523 1.00 0.00 C ATOM 1020 CG TYR R 79 -4.118 -8.493 -6.893 1.00 0.00 C ATOM 1021 CD1 TYR R 79 -5.202 -7.661 -7.079 1.00 0.00 C ATOM 1022 CD2 TYR R 79 -3.652 -9.232 -7.961 1.00 0.00 C ATOM 1023 CE1 TYR R 79 -5.811 -7.569 -8.314 1.00 0.00 C ATOM 1024 CE2 TYR R 79 -4.261 -9.140 -9.195 1.00 0.00 C ATOM 1025 CZ TYR R 79 -5.345 -8.308 -9.382 1.00 0.00 C ATOM 1026 OH TYR R 79 -5.954 -8.215 -10.617 1.00 0.00 O ATOM 1027 OXT TYR R 79 -2.524 -10.348 -3.720 1.00 0.00 O ATOM 0 H TYR R 79 -6.157 -7.985 -4.210 1.00 0.00 H new ATOM 0 HA TYR R 79 -5.110 -9.868 -5.033 1.00 0.00 H new ATOM 0 HB2 TYR R 79 -3.121 -7.609 -5.190 1.00 0.00 H new ATOM 0 HB3 TYR R 79 -2.550 -9.216 -5.591 1.00 0.00 H new ATOM 0 HD1 TYR R 79 -5.577 -7.077 -6.252 1.00 0.00 H new ATOM 0 HD2 TYR R 79 -2.804 -9.888 -7.830 1.00 0.00 H new ATOM 0 HE1 TYR R 79 -6.659 -6.913 -8.446 1.00 0.00 H new ATOM 0 HE2 TYR R 79 -3.886 -9.725 -10.022 1.00 0.00 H new ATOM 0 HH TYR R 79 -5.495 -8.803 -11.253 1.00 0.00 H new TER 1037 TYR R 79