USER MOD reduce.3.24.130724 H: found=0, std=0, add=706, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 706 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 41 TYR OH : rot -136:sc= 0.0238 USER MOD Set 1.2: A 67 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 62 GLN :FLIP amide:sc= -0.0614 F(o=-2.3!,f=0.98) USER MOD Set 2.2: A 63 GLN : amide:sc= 1.04 K(o=0.98,f=-7.1!) USER MOD Set 3.1: A 46 MET CE :methyl -129:sc= -1.27 (180deg=-1.3) USER MOD Set 3.2: A 50 LYS NZ :NH3+ 150:sc= 1.33 (180deg=0.549) USER MOD Set 4.1: A 10 GLN :FLIP amide:sc= 0.63 F(o=-0.22,f=1.3) USER MOD Set 4.2: A 26 CYS SG : rot 177:sc= 0.716 USER MOD Set 5.1: A 7 GLN : amide:sc= -0.358 X(o=-0.17,f=0.19) USER MOD Set 5.2: A 29 GLN : amide:sc= 0.192 K(o=-0.17,f=-2.5!) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ 178:sc= 2 (180deg=1.92) USER MOD Single : A 12 ASN : amide:sc= -0.242 X(o=-0.24,f=-0.34) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 GLN :FLIP amide:sc= 0 F(o=-1.2,f=0) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 27 TYR OH : rot 65:sc= 0.338 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 GLN :FLIP amide:sc= -0.382 F(o=-2.6!,f=-0.38) USER MOD Single : A 36 GLN :FLIP amide:sc= -0.0285 F(o=-0.83,f=-0.028) USER MOD Single : A 37 ASN : amide:sc= 0.785 K(o=0.78,f=-3.3!) USER MOD Single : A 42 SER OG : rot 50:sc= -2.3! USER MOD Single : A 43 ASN : amide:sc= -0.95 X(o=-0.95,f=-1.2) USER MOD Single : A 44 LYS NZ :NH3+ -177:sc= 1.23 (180deg=1.16) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0.0171 USER MOD Single : A 56 GLN :FLIP amide:sc= -0.0912 F(o=-1.6,f=-0.091) USER MOD Single : A 59 GLN : amide:sc= -0.161 X(o=-0.16,f=-0.15) USER MOD Single : A 60 MET CE :methyl 158:sc= -0.289 (180deg=-1.7) USER MOD Single : A 61 CYS SG : rot 78:sc= 0.00555 USER MOD Single : A 68 THR OG1 : rot 100:sc= -0.404 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 180:sc= -0.013 USER MOD Single : A 73 HIS : no HE2:sc= -1.72 K(o=-1.7,f=-2.7) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ -169:sc= -0.229! (180deg=-0.469!) USER MOD Single : A 81 GLN :FLIP amide:sc= -8.79! C(o=-9.7!,f=-8.8!) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 GLN : amide:sc= -0.807 X(o=-0.81,f=-0.59) USER MOD ----------------------------------------------------------------- ATOM 31 N PHE A 4 20.416 -6.599 -6.676 1.00 0.00 N ATOM 32 CA PHE A 4 19.341 -5.787 -7.234 1.00 0.00 C ATOM 33 C PHE A 4 19.985 -4.542 -7.800 1.00 0.00 C ATOM 34 O PHE A 4 19.622 -4.044 -8.860 1.00 0.00 O ATOM 35 CB PHE A 4 18.395 -5.375 -6.104 1.00 0.00 C ATOM 36 CG PHE A 4 17.358 -4.334 -6.472 1.00 0.00 C ATOM 37 CD1 PHE A 4 17.670 -2.962 -6.451 1.00 0.00 C ATOM 38 CD2 PHE A 4 16.064 -4.746 -6.820 1.00 0.00 C ATOM 39 CE1 PHE A 4 16.678 -2.013 -6.722 1.00 0.00 C ATOM 40 CE2 PHE A 4 15.074 -3.794 -7.102 1.00 0.00 C ATOM 41 CZ PHE A 4 15.381 -2.428 -7.038 1.00 0.00 C ATOM 0 HA PHE A 4 18.785 -6.334 -7.996 1.00 0.00 H new ATOM 0 HB2 PHE A 4 17.880 -6.265 -5.742 1.00 0.00 H new ATOM 0 HB3 PHE A 4 18.991 -4.993 -5.275 1.00 0.00 H new ATOM 0 HD1 PHE A 4 18.676 -2.641 -6.225 1.00 0.00 H new ATOM 0 HD2 PHE A 4 15.829 -5.799 -6.871 1.00 0.00 H new ATOM 0 HE1 PHE A 4 16.914 -0.960 -6.687 1.00 0.00 H new ATOM 0 HE2 PHE A 4 14.077 -4.113 -7.368 1.00 0.00 H new ATOM 0 HZ PHE A 4 14.613 -1.694 -7.233 1.00 0.00 H new ATOM 51 N GLU A 5 20.966 -4.052 -7.051 1.00 0.00 N ATOM 52 CA GLU A 5 21.738 -2.894 -7.404 1.00 0.00 C ATOM 53 C GLU A 5 22.357 -3.027 -8.782 1.00 0.00 C ATOM 54 O GLU A 5 22.182 -2.138 -9.598 1.00 0.00 O ATOM 55 CB GLU A 5 22.870 -2.766 -6.405 1.00 0.00 C ATOM 56 CG GLU A 5 22.357 -2.284 -5.048 1.00 0.00 C ATOM 57 CD GLU A 5 21.585 -3.363 -4.287 1.00 0.00 C ATOM 58 OE1 GLU A 5 21.924 -4.556 -4.457 1.00 0.00 O ATOM 59 OE2 GLU A 5 20.656 -2.983 -3.539 1.00 0.00 O ATOM 0 H GLU A 5 21.244 -4.468 -6.162 1.00 0.00 H new ATOM 0 HA GLU A 5 21.077 -2.027 -7.400 1.00 0.00 H new ATOM 0 HB2 GLU A 5 23.366 -3.729 -6.288 1.00 0.00 H new ATOM 0 HB3 GLU A 5 23.616 -2.067 -6.784 1.00 0.00 H new ATOM 0 HG2 GLU A 5 23.201 -1.953 -4.443 1.00 0.00 H new ATOM 0 HG3 GLU A 5 21.711 -1.418 -5.196 1.00 0.00 H new ATOM 66 N LYS A 6 23.080 -4.108 -9.078 1.00 0.00 N ATOM 67 CA LYS A 6 23.810 -4.115 -10.321 1.00 0.00 C ATOM 68 C LYS A 6 22.860 -4.121 -11.507 1.00 0.00 C ATOM 69 O LYS A 6 23.114 -3.463 -12.509 1.00 0.00 O ATOM 70 CB LYS A 6 24.706 -5.336 -10.371 1.00 0.00 C ATOM 71 CG LYS A 6 26.110 -4.973 -9.898 1.00 0.00 C ATOM 72 CD LYS A 6 26.139 -4.593 -8.419 1.00 0.00 C ATOM 73 CE LYS A 6 27.588 -4.336 -8.021 1.00 0.00 C ATOM 74 NZ LYS A 6 27.697 -3.968 -6.599 1.00 0.00 N ATOM 0 H LYS A 6 23.168 -4.944 -8.500 1.00 0.00 H new ATOM 0 HA LYS A 6 24.417 -3.211 -10.376 1.00 0.00 H new ATOM 0 HB2 LYS A 6 24.294 -6.125 -9.742 1.00 0.00 H new ATOM 0 HB3 LYS A 6 24.746 -5.727 -11.388 1.00 0.00 H new ATOM 0 HG2 LYS A 6 26.779 -5.817 -10.068 1.00 0.00 H new ATOM 0 HG3 LYS A 6 26.489 -4.142 -10.493 1.00 0.00 H new ATOM 0 HD2 LYS A 6 25.533 -3.704 -8.243 1.00 0.00 H new ATOM 0 HD3 LYS A 6 25.715 -5.393 -7.813 1.00 0.00 H new ATOM 0 HE2 LYS A 6 28.184 -5.228 -8.214 1.00 0.00 H new ATOM 0 HE3 LYS A 6 28.000 -3.537 -8.638 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 28.695 -3.800 -6.359 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 27.148 -3.103 -6.421 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 27.326 -4.741 -6.011 1.00 0.00 H new ATOM 88 N GLN A 7 21.759 -4.856 -11.398 1.00 0.00 N ATOM 89 CA GLN A 7 20.741 -4.900 -12.426 1.00 0.00 C ATOM 90 C GLN A 7 20.039 -3.549 -12.571 1.00 0.00 C ATOM 91 O GLN A 7 19.260 -3.358 -13.503 1.00 0.00 O ATOM 92 CB GLN A 7 19.772 -6.021 -12.071 1.00 0.00 C ATOM 93 CG GLN A 7 20.623 -7.276 -11.856 1.00 0.00 C ATOM 94 CD GLN A 7 19.772 -8.521 -11.877 1.00 0.00 C ATOM 95 OE1 GLN A 7 19.661 -9.234 -10.886 1.00 0.00 O ATOM 96 NE2 GLN A 7 19.161 -8.791 -13.020 1.00 0.00 N ATOM 0 H GLN A 7 21.552 -5.439 -10.587 1.00 0.00 H new ATOM 0 HA GLN A 7 21.190 -5.104 -13.398 1.00 0.00 H new ATOM 0 HB2 GLN A 7 19.207 -5.776 -11.171 1.00 0.00 H new ATOM 0 HB3 GLN A 7 19.047 -6.175 -12.870 1.00 0.00 H new ATOM 0 HG2 GLN A 7 21.385 -7.340 -12.633 1.00 0.00 H new ATOM 0 HG3 GLN A 7 21.146 -7.205 -10.902 1.00 0.00 H new ATOM 0 HE21 GLN A 7 19.280 -8.171 -13.821 1.00 0.00 H new ATOM 0 HE22 GLN A 7 18.571 -9.619 -13.100 1.00 0.00 H new ATOM 105 N LYS A 8 20.307 -2.606 -11.656 1.00 0.00 N ATOM 106 CA LYS A 8 19.742 -1.272 -11.706 1.00 0.00 C ATOM 107 C LYS A 8 20.798 -0.287 -12.179 1.00 0.00 C ATOM 108 O LYS A 8 20.535 0.551 -13.036 1.00 0.00 O ATOM 109 CB LYS A 8 19.302 -0.966 -10.282 1.00 0.00 C ATOM 110 CG LYS A 8 18.642 0.398 -10.146 1.00 0.00 C ATOM 111 CD LYS A 8 18.094 0.436 -8.723 1.00 0.00 C ATOM 112 CE LYS A 8 19.205 0.325 -7.681 1.00 0.00 C ATOM 113 NZ LYS A 8 20.069 1.522 -7.661 1.00 0.00 N ATOM 0 H LYS A 8 20.927 -2.760 -10.861 1.00 0.00 H new ATOM 0 HA LYS A 8 18.905 -1.197 -12.400 1.00 0.00 H new ATOM 0 HB2 LYS A 8 18.606 -1.736 -9.949 1.00 0.00 H new ATOM 0 HB3 LYS A 8 20.168 -1.012 -9.622 1.00 0.00 H new ATOM 0 HG2 LYS A 8 19.360 1.201 -10.313 1.00 0.00 H new ATOM 0 HG3 LYS A 8 17.845 0.525 -10.879 1.00 0.00 H new ATOM 0 HD2 LYS A 8 17.545 1.365 -8.570 1.00 0.00 H new ATOM 0 HD3 LYS A 8 17.385 -0.380 -8.585 1.00 0.00 H new ATOM 0 HE2 LYS A 8 18.764 0.181 -6.695 1.00 0.00 H new ATOM 0 HE3 LYS A 8 19.812 -0.556 -7.891 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 20.788 1.419 -6.917 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 20.538 1.627 -8.583 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 19.490 2.365 -7.469 1.00 0.00 H new ATOM 127 N GLU A 9 21.993 -0.405 -11.606 1.00 0.00 N ATOM 128 CA GLU A 9 23.142 0.459 -11.836 1.00 0.00 C ATOM 129 C GLU A 9 23.803 0.182 -13.176 1.00 0.00 C ATOM 130 O GLU A 9 24.409 1.072 -13.766 1.00 0.00 O ATOM 131 CB GLU A 9 24.148 0.215 -10.718 1.00 0.00 C ATOM 132 CG GLU A 9 23.470 0.529 -9.392 1.00 0.00 C ATOM 133 CD GLU A 9 23.295 2.027 -9.179 1.00 0.00 C ATOM 134 OE1 GLU A 9 24.323 2.708 -8.956 1.00 0.00 O ATOM 135 OE2 GLU A 9 22.128 2.474 -9.243 1.00 0.00 O ATOM 0 H GLU A 9 22.194 -1.146 -10.934 1.00 0.00 H new ATOM 0 HA GLU A 9 22.803 1.495 -11.847 1.00 0.00 H new ATOM 0 HB2 GLU A 9 24.491 -0.820 -10.734 1.00 0.00 H new ATOM 0 HB3 GLU A 9 25.027 0.844 -10.854 1.00 0.00 H new ATOM 0 HG2 GLU A 9 22.495 0.042 -9.359 1.00 0.00 H new ATOM 0 HG3 GLU A 9 24.061 0.114 -8.576 1.00 0.00 H new ATOM 142 N GLN A 10 23.696 -1.049 -13.672 1.00 0.00 N ATOM 143 CA GLN A 10 24.184 -1.328 -15.008 1.00 0.00 C ATOM 144 C GLN A 10 23.331 -0.567 -16.019 1.00 0.00 C ATOM 145 O GLN A 10 23.861 0.048 -16.945 1.00 0.00 O ATOM 146 CB GLN A 10 24.127 -2.831 -15.283 1.00 0.00 C ATOM 147 CG GLN A 10 25.012 -3.179 -16.474 1.00 0.00 C ATOM 148 CD GLN A 10 24.462 -4.391 -17.209 1.00 0.00 C ATOM 149 OE1 GLN A 10 23.454 -4.164 -18.050 1.00 0.00 O flip ATOM 150 NE2 GLN A 10 24.934 -5.510 -17.028 1.00 0.00 N flip ATOM 0 H GLN A 10 23.287 -1.844 -13.181 1.00 0.00 H new ATOM 0 HA GLN A 10 25.221 -1.004 -15.096 1.00 0.00 H new ATOM 0 HB2 GLN A 10 24.456 -3.383 -14.402 1.00 0.00 H new ATOM 0 HB3 GLN A 10 23.099 -3.133 -15.483 1.00 0.00 H new ATOM 0 HG2 GLN A 10 25.068 -2.329 -17.154 1.00 0.00 H new ATOM 0 HG3 GLN A 10 26.027 -3.383 -16.133 1.00 0.00 H new ATOM 0 HE21 GLN A 10 25.706 -5.638 -16.374 1.00 0.00 H new ATOM 0 HE22 GLN A 10 24.554 -6.311 -17.532 1.00 0.00 H new ATOM 159 N GLY A 11 22.007 -0.603 -15.843 1.00 0.00 N ATOM 160 CA GLY A 11 21.092 0.123 -16.707 1.00 0.00 C ATOM 161 C GLY A 11 21.190 1.626 -16.438 1.00 0.00 C ATOM 162 O GLY A 11 20.900 2.431 -17.318 1.00 0.00 O ATOM 0 H GLY A 11 21.549 -1.134 -15.102 1.00 0.00 H new ATOM 0 HA2 GLY A 11 21.326 -0.083 -17.751 1.00 0.00 H new ATOM 0 HA3 GLY A 11 20.071 -0.218 -16.536 1.00 0.00 H new ATOM 166 N ASN A 12 21.606 1.998 -15.221 1.00 0.00 N ATOM 167 CA ASN A 12 21.858 3.368 -14.787 1.00 0.00 C ATOM 168 C ASN A 12 22.985 4.017 -15.590 1.00 0.00 C ATOM 169 O ASN A 12 23.399 5.133 -15.290 1.00 0.00 O ATOM 170 CB ASN A 12 22.201 3.303 -13.307 1.00 0.00 C ATOM 171 CG ASN A 12 22.120 4.585 -12.500 1.00 0.00 C ATOM 172 OD1 ASN A 12 21.893 5.676 -13.014 1.00 0.00 O ATOM 173 ND2 ASN A 12 22.313 4.412 -11.196 1.00 0.00 N ATOM 0 H ASN A 12 21.783 1.317 -14.482 1.00 0.00 H new ATOM 0 HA ASN A 12 20.978 3.989 -14.955 1.00 0.00 H new ATOM 0 HB2 ASN A 12 21.538 2.573 -12.842 1.00 0.00 H new ATOM 0 HB3 ASN A 12 23.215 2.915 -13.216 1.00 0.00 H new ATOM 0 HD21 ASN A 12 22.276 5.212 -10.564 1.00 0.00 H new ATOM 0 HD22 ASN A 12 22.498 3.479 -10.827 1.00 0.00 H new ATOM 180 N SER A 13 23.487 3.321 -16.612 1.00 0.00 N ATOM 181 CA SER A 13 24.372 3.937 -17.589 1.00 0.00 C ATOM 182 C SER A 13 23.904 3.616 -19.006 1.00 0.00 C ATOM 183 O SER A 13 23.990 4.476 -19.876 1.00 0.00 O ATOM 184 CB SER A 13 25.806 3.493 -17.330 1.00 0.00 C ATOM 185 OG SER A 13 26.659 4.017 -18.325 1.00 0.00 O ATOM 0 H SER A 13 23.294 2.334 -16.780 1.00 0.00 H new ATOM 0 HA SER A 13 24.341 5.022 -17.487 1.00 0.00 H new ATOM 0 HB2 SER A 13 26.129 3.833 -16.346 1.00 0.00 H new ATOM 0 HB3 SER A 13 25.864 2.405 -17.326 1.00 0.00 H new ATOM 0 HG SER A 13 27.580 3.729 -18.152 1.00 0.00 H new ATOM 191 N LEU A 14 23.401 2.406 -19.264 1.00 0.00 N ATOM 192 CA LEU A 14 22.839 2.057 -20.558 1.00 0.00 C ATOM 193 C LEU A 14 21.722 3.026 -20.959 1.00 0.00 C ATOM 194 O LEU A 14 21.574 3.358 -22.132 1.00 0.00 O ATOM 195 CB LEU A 14 22.305 0.638 -20.445 1.00 0.00 C ATOM 196 CG LEU A 14 23.414 -0.379 -20.149 1.00 0.00 C ATOM 197 CD1 LEU A 14 23.103 -1.572 -21.015 1.00 0.00 C ATOM 198 CD2 LEU A 14 24.840 0.040 -20.514 1.00 0.00 C ATOM 0 H LEU A 14 23.375 1.649 -18.581 1.00 0.00 H new ATOM 0 HA LEU A 14 23.603 2.124 -21.332 1.00 0.00 H new ATOM 0 HB2 LEU A 14 21.556 0.596 -19.654 1.00 0.00 H new ATOM 0 HB3 LEU A 14 21.804 0.366 -21.374 1.00 0.00 H new ATOM 0 HG LEU A 14 23.412 -0.535 -19.070 1.00 0.00 H new ATOM 0 HD11 LEU A 14 23.857 -2.343 -20.856 1.00 0.00 H new ATOM 0 HD12 LEU A 14 22.121 -1.965 -20.753 1.00 0.00 H new ATOM 0 HD13 LEU A 14 23.106 -1.272 -22.063 1.00 0.00 H new ATOM 0 HD21 LEU A 14 25.532 -0.762 -20.257 1.00 0.00 H new ATOM 0 HD22 LEU A 14 24.898 0.240 -21.584 1.00 0.00 H new ATOM 0 HD23 LEU A 14 25.107 0.941 -19.961 1.00 0.00 H new ATOM 210 N PHE A 15 20.935 3.480 -19.982 1.00 0.00 N ATOM 211 CA PHE A 15 19.841 4.412 -20.202 1.00 0.00 C ATOM 212 C PHE A 15 20.384 5.785 -20.553 1.00 0.00 C ATOM 213 O PHE A 15 19.724 6.561 -21.243 1.00 0.00 O ATOM 214 CB PHE A 15 19.040 4.490 -18.901 1.00 0.00 C ATOM 215 CG PHE A 15 18.198 5.730 -18.699 1.00 0.00 C ATOM 216 CD1 PHE A 15 16.995 5.896 -19.398 1.00 0.00 C ATOM 217 CD2 PHE A 15 18.626 6.708 -17.792 1.00 0.00 C ATOM 218 CE1 PHE A 15 16.208 7.034 -19.171 1.00 0.00 C ATOM 219 CE2 PHE A 15 17.809 7.812 -17.523 1.00 0.00 C ATOM 220 CZ PHE A 15 16.610 7.983 -18.224 1.00 0.00 C ATOM 0 H PHE A 15 21.045 3.204 -19.006 1.00 0.00 H new ATOM 0 HA PHE A 15 19.213 4.075 -21.027 1.00 0.00 H new ATOM 0 HB2 PHE A 15 18.384 3.621 -18.852 1.00 0.00 H new ATOM 0 HB3 PHE A 15 19.737 4.411 -18.066 1.00 0.00 H new ATOM 0 HD1 PHE A 15 16.675 5.149 -20.110 1.00 0.00 H new ATOM 0 HD2 PHE A 15 19.583 6.610 -17.302 1.00 0.00 H new ATOM 0 HE1 PHE A 15 15.293 7.178 -19.726 1.00 0.00 H new ATOM 0 HE2 PHE A 15 18.104 8.532 -16.774 1.00 0.00 H new ATOM 0 HZ PHE A 15 15.993 8.849 -18.034 1.00 0.00 H new ATOM 230 N LYS A 16 21.591 6.089 -20.078 1.00 0.00 N ATOM 231 CA LYS A 16 22.196 7.387 -20.272 1.00 0.00 C ATOM 232 C LYS A 16 23.068 7.439 -21.534 1.00 0.00 C ATOM 233 O LYS A 16 23.575 8.504 -21.883 1.00 0.00 O ATOM 234 CB LYS A 16 23.026 7.712 -19.032 1.00 0.00 C ATOM 235 CG LYS A 16 22.229 7.340 -17.787 1.00 0.00 C ATOM 236 CD LYS A 16 22.985 7.715 -16.529 1.00 0.00 C ATOM 237 CE LYS A 16 22.923 9.222 -16.280 1.00 0.00 C ATOM 238 NZ LYS A 16 23.672 9.590 -15.064 1.00 0.00 N ATOM 0 H LYS A 16 22.169 5.436 -19.549 1.00 0.00 H new ATOM 0 HA LYS A 16 21.408 8.127 -20.413 1.00 0.00 H new ATOM 0 HB2 LYS A 16 23.967 7.162 -19.054 1.00 0.00 H new ATOM 0 HB3 LYS A 16 23.277 8.773 -19.015 1.00 0.00 H new ATOM 0 HG2 LYS A 16 21.265 7.849 -17.802 1.00 0.00 H new ATOM 0 HG3 LYS A 16 22.025 6.269 -17.788 1.00 0.00 H new ATOM 0 HD2 LYS A 16 22.563 7.184 -15.675 1.00 0.00 H new ATOM 0 HD3 LYS A 16 24.025 7.400 -16.618 1.00 0.00 H new ATOM 0 HE2 LYS A 16 23.334 9.753 -17.139 1.00 0.00 H new ATOM 0 HE3 LYS A 16 21.884 9.535 -16.179 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 23.614 10.618 -14.918 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 23.263 9.100 -14.243 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 24.668 9.312 -15.172 1.00 0.00 H new ATOM 252 N GLN A 17 23.250 6.299 -22.216 1.00 0.00 N ATOM 253 CA GLN A 17 24.090 6.189 -23.396 1.00 0.00 C ATOM 254 C GLN A 17 23.287 6.294 -24.690 1.00 0.00 C ATOM 255 O GLN A 17 23.845 6.657 -25.725 1.00 0.00 O ATOM 256 CB GLN A 17 24.779 4.825 -23.386 1.00 0.00 C ATOM 257 CG GLN A 17 25.962 4.838 -22.426 1.00 0.00 C ATOM 258 CD GLN A 17 26.801 3.577 -22.589 1.00 0.00 C ATOM 259 OE1 GLN A 17 26.230 2.428 -22.243 1.00 0.00 O flip ATOM 260 NE2 GLN A 17 27.950 3.631 -23.024 1.00 0.00 N flip ATOM 0 H GLN A 17 22.807 5.419 -21.951 1.00 0.00 H new ATOM 0 HA GLN A 17 24.807 7.010 -23.364 1.00 0.00 H new ATOM 0 HB2 GLN A 17 24.069 4.053 -23.089 1.00 0.00 H new ATOM 0 HB3 GLN A 17 25.120 4.575 -24.391 1.00 0.00 H new ATOM 0 HG2 GLN A 17 26.578 5.718 -22.612 1.00 0.00 H new ATOM 0 HG3 GLN A 17 25.603 4.912 -21.399 1.00 0.00 H new ATOM 0 HE21 GLN A 17 28.357 4.531 -23.280 1.00 0.00 H new ATOM 0 HE22 GLN A 17 28.496 2.776 -23.129 1.00 0.00 H new ATOM 269 N GLY A 18 21.989 5.988 -24.648 1.00 0.00 N ATOM 270 CA GLY A 18 21.177 5.994 -25.857 1.00 0.00 C ATOM 271 C GLY A 18 20.258 4.805 -25.980 1.00 0.00 C ATOM 272 O GLY A 18 19.256 4.839 -26.692 1.00 0.00 O ATOM 0 H GLY A 18 21.486 5.736 -23.797 1.00 0.00 H new ATOM 0 HA2 GLY A 18 20.580 6.906 -25.878 1.00 0.00 H new ATOM 0 HA3 GLY A 18 21.835 6.024 -26.725 1.00 0.00 H new ATOM 276 N LEU A 19 20.621 3.744 -25.272 1.00 0.00 N ATOM 277 CA LEU A 19 20.028 2.444 -25.449 1.00 0.00 C ATOM 278 C LEU A 19 19.116 2.122 -24.286 1.00 0.00 C ATOM 279 O LEU A 19 19.332 1.206 -23.495 1.00 0.00 O ATOM 280 CB LEU A 19 21.106 1.420 -25.762 1.00 0.00 C ATOM 281 CG LEU A 19 22.496 1.626 -25.138 1.00 0.00 C ATOM 282 CD1 LEU A 19 22.569 0.844 -23.834 1.00 0.00 C ATOM 283 CD2 LEU A 19 23.587 1.087 -26.058 1.00 0.00 C ATOM 0 H LEU A 19 21.344 3.772 -24.553 1.00 0.00 H new ATOM 0 HA LEU A 19 19.371 2.424 -26.318 1.00 0.00 H new ATOM 0 HB2 LEU A 19 20.740 0.442 -25.448 1.00 0.00 H new ATOM 0 HB3 LEU A 19 21.228 1.382 -26.845 1.00 0.00 H new ATOM 0 HG LEU A 19 22.646 2.693 -24.976 1.00 0.00 H new ATOM 0 HD11 LEU A 19 23.551 0.982 -23.381 1.00 0.00 H new ATOM 0 HD12 LEU A 19 21.800 1.204 -23.150 1.00 0.00 H new ATOM 0 HD13 LEU A 19 22.408 -0.215 -24.035 1.00 0.00 H new ATOM 0 HD21 LEU A 19 24.562 1.243 -25.597 1.00 0.00 H new ATOM 0 HD22 LEU A 19 23.430 0.021 -26.223 1.00 0.00 H new ATOM 0 HD23 LEU A 19 23.549 1.611 -27.013 1.00 0.00 H new ATOM 295 N TYR A 20 18.069 2.940 -24.223 1.00 0.00 N ATOM 296 CA TYR A 20 17.041 2.910 -23.212 1.00 0.00 C ATOM 297 C TYR A 20 16.517 1.503 -23.012 1.00 0.00 C ATOM 298 O TYR A 20 16.302 1.101 -21.876 1.00 0.00 O ATOM 299 CB TYR A 20 15.943 3.848 -23.702 1.00 0.00 C ATOM 300 CG TYR A 20 16.528 5.163 -24.171 1.00 0.00 C ATOM 301 CD1 TYR A 20 17.403 5.869 -23.330 1.00 0.00 C ATOM 302 CD2 TYR A 20 16.222 5.661 -25.446 1.00 0.00 C ATOM 303 CE1 TYR A 20 17.982 7.071 -23.764 1.00 0.00 C ATOM 304 CE2 TYR A 20 16.793 6.864 -25.887 1.00 0.00 C ATOM 305 CZ TYR A 20 17.677 7.574 -25.045 1.00 0.00 C ATOM 306 OH TYR A 20 18.239 8.741 -25.468 1.00 0.00 O ATOM 0 H TYR A 20 17.916 3.674 -24.914 1.00 0.00 H new ATOM 0 HA TYR A 20 17.425 3.229 -22.243 1.00 0.00 H new ATOM 0 HB2 TYR A 20 15.394 3.378 -24.518 1.00 0.00 H new ATOM 0 HB3 TYR A 20 15.228 4.029 -22.899 1.00 0.00 H new ATOM 0 HD1 TYR A 20 17.631 5.486 -22.346 1.00 0.00 H new ATOM 0 HD2 TYR A 20 15.546 5.117 -26.089 1.00 0.00 H new ATOM 0 HE1 TYR A 20 18.660 7.610 -23.118 1.00 0.00 H new ATOM 0 HE2 TYR A 20 16.557 7.247 -26.869 1.00 0.00 H new ATOM 0 HH TYR A 20 17.925 8.946 -26.374 1.00 0.00 H new ATOM 316 N ARG A 21 16.311 0.751 -24.099 1.00 0.00 N ATOM 317 CA ARG A 21 15.722 -0.575 -24.007 1.00 0.00 C ATOM 318 C ARG A 21 16.707 -1.516 -23.343 1.00 0.00 C ATOM 319 O ARG A 21 16.311 -2.303 -22.492 1.00 0.00 O ATOM 320 CB ARG A 21 15.434 -1.068 -25.426 1.00 0.00 C ATOM 321 CG ARG A 21 14.212 -1.977 -25.498 1.00 0.00 C ATOM 322 CD ARG A 21 14.121 -3.022 -24.385 1.00 0.00 C ATOM 323 NE ARG A 21 12.996 -3.936 -24.609 1.00 0.00 N ATOM 324 CZ ARG A 21 11.713 -3.639 -24.380 1.00 0.00 C ATOM 325 NH1 ARG A 21 11.356 -2.444 -23.912 1.00 0.00 N ATOM 326 NH2 ARG A 21 10.772 -4.546 -24.623 1.00 0.00 N ATOM 0 H ARG A 21 16.545 1.044 -25.048 1.00 0.00 H new ATOM 0 HA ARG A 21 14.803 -0.542 -23.421 1.00 0.00 H new ATOM 0 HB2 ARG A 21 15.282 -0.210 -26.080 1.00 0.00 H new ATOM 0 HB3 ARG A 21 16.304 -1.606 -25.803 1.00 0.00 H new ATOM 0 HG2 ARG A 21 13.315 -1.358 -25.470 1.00 0.00 H new ATOM 0 HG3 ARG A 21 14.215 -2.491 -26.459 1.00 0.00 H new ATOM 0 HD2 ARG A 21 15.051 -3.589 -24.338 1.00 0.00 H new ATOM 0 HD3 ARG A 21 14.003 -2.524 -23.423 1.00 0.00 H new ATOM 0 HE ARG A 21 13.208 -4.868 -24.966 1.00 0.00 H new ATOM 0 HH11 ARG A 21 12.067 -1.737 -23.722 1.00 0.00 H new ATOM 0 HH12 ARG A 21 10.372 -2.236 -23.743 1.00 0.00 H new ATOM 0 HH21 ARG A 21 11.030 -5.465 -24.983 1.00 0.00 H new ATOM 0 HH22 ARG A 21 9.792 -4.323 -24.449 1.00 0.00 H new ATOM 340 N GLU A 22 17.980 -1.433 -23.727 1.00 0.00 N ATOM 341 CA GLU A 22 19.007 -2.285 -23.141 1.00 0.00 C ATOM 342 C GLU A 22 19.126 -1.999 -21.647 1.00 0.00 C ATOM 343 O GLU A 22 19.569 -2.850 -20.877 1.00 0.00 O ATOM 344 CB GLU A 22 20.349 -2.037 -23.831 1.00 0.00 C ATOM 345 CG GLU A 22 20.249 -2.328 -25.328 1.00 0.00 C ATOM 346 CD GLU A 22 21.599 -2.233 -26.037 1.00 0.00 C ATOM 347 OE1 GLU A 22 22.600 -2.707 -25.458 1.00 0.00 O ATOM 348 OE2 GLU A 22 21.617 -1.682 -27.161 1.00 0.00 O ATOM 0 H GLU A 22 18.321 -0.787 -24.438 1.00 0.00 H new ATOM 0 HA GLU A 22 18.727 -3.329 -23.282 1.00 0.00 H new ATOM 0 HB2 GLU A 22 20.657 -1.003 -23.676 1.00 0.00 H new ATOM 0 HB3 GLU A 22 21.116 -2.669 -23.383 1.00 0.00 H new ATOM 0 HG2 GLU A 22 19.836 -3.326 -25.473 1.00 0.00 H new ATOM 0 HG3 GLU A 22 19.553 -1.625 -25.785 1.00 0.00 H new ATOM 355 N ALA A 23 18.725 -0.792 -21.238 1.00 0.00 N ATOM 356 CA ALA A 23 18.724 -0.404 -19.842 1.00 0.00 C ATOM 357 C ALA A 23 17.548 -1.058 -19.114 1.00 0.00 C ATOM 358 O ALA A 23 17.695 -1.503 -17.976 1.00 0.00 O ATOM 359 CB ALA A 23 18.634 1.118 -19.772 1.00 0.00 C ATOM 0 H ALA A 23 18.394 -0.064 -21.871 1.00 0.00 H new ATOM 0 HA ALA A 23 19.639 -0.738 -19.353 1.00 0.00 H new ATOM 0 HB1 ALA A 23 18.632 1.435 -18.729 1.00 0.00 H new ATOM 0 HB2 ALA A 23 19.491 1.557 -20.283 1.00 0.00 H new ATOM 0 HB3 ALA A 23 17.715 1.451 -20.254 1.00 0.00 H new ATOM 365 N VAL A 24 16.377 -1.120 -19.760 1.00 0.00 N ATOM 366 CA VAL A 24 15.177 -1.670 -19.183 1.00 0.00 C ATOM 367 C VAL A 24 15.298 -3.171 -19.082 1.00 0.00 C ATOM 368 O VAL A 24 14.727 -3.834 -18.224 1.00 0.00 O ATOM 369 CB VAL A 24 13.949 -1.329 -20.017 1.00 0.00 C ATOM 370 CG1 VAL A 24 14.002 0.000 -20.738 1.00 0.00 C ATOM 371 CG2 VAL A 24 13.387 -2.449 -20.865 1.00 0.00 C ATOM 0 H VAL A 24 16.251 -0.780 -20.713 1.00 0.00 H new ATOM 0 HA VAL A 24 15.057 -1.233 -18.192 1.00 0.00 H new ATOM 0 HB VAL A 24 13.200 -1.192 -19.237 1.00 0.00 H new ATOM 0 HG11 VAL A 24 13.080 0.145 -21.302 1.00 0.00 H new ATOM 0 HG12 VAL A 24 14.113 0.804 -20.011 1.00 0.00 H new ATOM 0 HG13 VAL A 24 14.851 0.009 -21.422 1.00 0.00 H new ATOM 0 HG21 VAL A 24 12.516 -2.089 -21.413 1.00 0.00 H new ATOM 0 HG22 VAL A 24 14.146 -2.787 -21.571 1.00 0.00 H new ATOM 0 HG23 VAL A 24 13.093 -3.279 -20.223 1.00 0.00 H new ATOM 381 N HIS A 25 16.080 -3.681 -20.016 1.00 0.00 N ATOM 382 CA HIS A 25 16.369 -5.080 -20.167 1.00 0.00 C ATOM 383 C HIS A 25 17.085 -5.661 -18.944 1.00 0.00 C ATOM 384 O HIS A 25 17.293 -6.869 -18.864 1.00 0.00 O ATOM 385 CB HIS A 25 17.210 -5.231 -21.423 1.00 0.00 C ATOM 386 CG HIS A 25 16.776 -6.362 -22.307 1.00 0.00 C ATOM 387 ND1 HIS A 25 16.518 -7.680 -21.922 1.00 0.00 N ATOM 388 CD2 HIS A 25 16.543 -6.220 -23.639 1.00 0.00 C ATOM 389 CE1 HIS A 25 16.117 -8.290 -23.051 1.00 0.00 C ATOM 390 NE2 HIS A 25 16.137 -7.446 -24.096 1.00 0.00 N ATOM 0 H HIS A 25 16.546 -3.101 -20.714 1.00 0.00 H new ATOM 0 HA HIS A 25 15.439 -5.642 -20.254 1.00 0.00 H new ATOM 0 HB2 HIS A 25 17.169 -4.301 -21.991 1.00 0.00 H new ATOM 0 HB3 HIS A 25 18.251 -5.384 -21.137 1.00 0.00 H new ATOM 0 HD2 HIS A 25 16.656 -5.318 -24.222 1.00 0.00 H new ATOM 0 HE1 HIS A 25 15.817 -9.326 -23.110 1.00 0.00 H new ATOM 0 HE2 HIS A 25 15.893 -7.677 -25.059 1.00 0.00 H new ATOM 398 N CYS A 26 17.454 -4.794 -17.998 1.00 0.00 N ATOM 399 CA CYS A 26 18.050 -5.181 -16.727 1.00 0.00 C ATOM 400 C CYS A 26 17.195 -4.625 -15.585 1.00 0.00 C ATOM 401 O CYS A 26 17.123 -5.211 -14.507 1.00 0.00 O ATOM 402 CB CYS A 26 19.483 -4.653 -16.657 1.00 0.00 C ATOM 403 SG CYS A 26 20.447 -5.360 -18.018 1.00 0.00 S ATOM 0 H CYS A 26 17.343 -3.785 -18.101 1.00 0.00 H new ATOM 0 HA CYS A 26 18.084 -6.267 -16.637 1.00 0.00 H new ATOM 0 HB2 CYS A 26 19.486 -3.565 -16.721 1.00 0.00 H new ATOM 0 HB3 CYS A 26 19.934 -4.917 -15.701 1.00 0.00 H new ATOM 0 HG CYS A 26 21.647 -4.860 -18.006 1.00 0.00 H new ATOM 409 N TYR A 27 16.543 -3.486 -15.841 1.00 0.00 N ATOM 410 CA TYR A 27 15.544 -2.889 -14.970 1.00 0.00 C ATOM 411 C TYR A 27 14.387 -3.851 -14.737 1.00 0.00 C ATOM 412 O TYR A 27 13.805 -3.867 -13.658 1.00 0.00 O ATOM 413 CB TYR A 27 14.975 -1.687 -15.716 1.00 0.00 C ATOM 414 CG TYR A 27 15.873 -0.486 -15.900 1.00 0.00 C ATOM 415 CD1 TYR A 27 17.113 -0.379 -15.249 1.00 0.00 C ATOM 416 CD2 TYR A 27 15.426 0.548 -16.732 1.00 0.00 C ATOM 417 CE1 TYR A 27 17.884 0.782 -15.410 1.00 0.00 C ATOM 418 CE2 TYR A 27 16.182 1.713 -16.889 1.00 0.00 C ATOM 419 CZ TYR A 27 17.418 1.832 -16.228 1.00 0.00 C ATOM 420 OH TYR A 27 18.160 2.964 -16.375 1.00 0.00 O ATOM 0 H TYR A 27 16.706 -2.943 -16.689 1.00 0.00 H new ATOM 0 HA TYR A 27 15.999 -2.629 -14.014 1.00 0.00 H new ATOM 0 HB2 TYR A 27 14.659 -2.024 -16.703 1.00 0.00 H new ATOM 0 HB3 TYR A 27 14.079 -1.358 -15.189 1.00 0.00 H new ATOM 0 HD1 TYR A 27 17.471 -1.186 -14.628 1.00 0.00 H new ATOM 0 HD2 TYR A 27 14.488 0.444 -17.257 1.00 0.00 H new ATOM 0 HE1 TYR A 27 18.835 0.872 -14.907 1.00 0.00 H new ATOM 0 HE2 TYR A 27 15.820 2.516 -17.513 1.00 0.00 H new ATOM 0 HH TYR A 27 18.998 2.749 -16.836 1.00 0.00 H new ATOM 430 N ASP A 28 14.050 -4.654 -15.749 1.00 0.00 N ATOM 431 CA ASP A 28 12.928 -5.564 -15.692 1.00 0.00 C ATOM 432 C ASP A 28 13.150 -6.629 -14.624 1.00 0.00 C ATOM 433 O ASP A 28 12.191 -7.164 -14.071 1.00 0.00 O ATOM 434 CB ASP A 28 12.735 -6.189 -17.073 1.00 0.00 C ATOM 435 CG ASP A 28 11.441 -6.994 -17.144 1.00 0.00 C ATOM 436 OD1 ASP A 28 10.369 -6.350 -17.192 1.00 0.00 O ATOM 437 OD2 ASP A 28 11.539 -8.241 -17.147 1.00 0.00 O ATOM 0 H ASP A 28 14.558 -4.683 -16.633 1.00 0.00 H new ATOM 0 HA ASP A 28 12.024 -5.021 -15.416 1.00 0.00 H new ATOM 0 HB2 ASP A 28 12.719 -5.405 -17.830 1.00 0.00 H new ATOM 0 HB3 ASP A 28 13.581 -6.837 -17.302 1.00 0.00 H new ATOM 442 N GLN A 29 14.416 -6.946 -14.321 1.00 0.00 N ATOM 443 CA GLN A 29 14.714 -7.891 -13.265 1.00 0.00 C ATOM 444 C GLN A 29 14.604 -7.257 -11.881 1.00 0.00 C ATOM 445 O GLN A 29 14.571 -7.978 -10.889 1.00 0.00 O ATOM 446 CB GLN A 29 16.106 -8.484 -13.450 1.00 0.00 C ATOM 447 CG GLN A 29 16.160 -9.367 -14.698 1.00 0.00 C ATOM 448 CD GLN A 29 16.752 -8.640 -15.897 1.00 0.00 C ATOM 449 OE1 GLN A 29 17.954 -8.398 -15.938 1.00 0.00 O ATOM 450 NE2 GLN A 29 15.918 -8.296 -16.876 1.00 0.00 N ATOM 0 H GLN A 29 15.234 -6.561 -14.793 1.00 0.00 H new ATOM 0 HA GLN A 29 13.971 -8.685 -13.331 1.00 0.00 H new ATOM 0 HB2 GLN A 29 16.839 -7.682 -13.535 1.00 0.00 H new ATOM 0 HB3 GLN A 29 16.376 -9.071 -12.572 1.00 0.00 H new ATOM 0 HG2 GLN A 29 16.754 -10.256 -14.486 1.00 0.00 H new ATOM 0 HG3 GLN A 29 15.154 -9.707 -14.943 1.00 0.00 H new ATOM 0 HE21 GLN A 29 14.925 -8.517 -16.801 1.00 0.00 H new ATOM 0 HE22 GLN A 29 16.272 -7.812 -17.701 1.00 0.00 H new ATOM 459 N LEU A 30 14.538 -5.924 -11.785 1.00 0.00 N ATOM 460 CA LEU A 30 14.294 -5.271 -10.502 1.00 0.00 C ATOM 461 C LEU A 30 12.873 -5.586 -10.069 1.00 0.00 C ATOM 462 O LEU A 30 12.603 -5.737 -8.878 1.00 0.00 O ATOM 463 CB LEU A 30 14.450 -3.758 -10.641 1.00 0.00 C ATOM 464 CG LEU A 30 15.796 -3.359 -11.221 1.00 0.00 C ATOM 465 CD1 LEU A 30 15.989 -1.851 -11.138 1.00 0.00 C ATOM 466 CD2 LEU A 30 16.951 -4.050 -10.500 1.00 0.00 C ATOM 0 H LEU A 30 14.649 -5.286 -12.573 1.00 0.00 H new ATOM 0 HA LEU A 30 15.011 -5.633 -9.765 1.00 0.00 H new ATOM 0 HB2 LEU A 30 13.655 -3.372 -11.279 1.00 0.00 H new ATOM 0 HB3 LEU A 30 14.328 -3.293 -9.663 1.00 0.00 H new ATOM 0 HG LEU A 30 15.799 -3.675 -12.264 1.00 0.00 H new ATOM 0 HD11 LEU A 30 16.959 -1.585 -11.558 1.00 0.00 H new ATOM 0 HD12 LEU A 30 15.200 -1.352 -11.701 1.00 0.00 H new ATOM 0 HD13 LEU A 30 15.946 -1.536 -10.096 1.00 0.00 H new ATOM 0 HD21 LEU A 30 17.896 -3.738 -10.945 1.00 0.00 H new ATOM 0 HD22 LEU A 30 16.938 -3.775 -9.445 1.00 0.00 H new ATOM 0 HD23 LEU A 30 16.845 -5.131 -10.595 1.00 0.00 H new ATOM 478 N ILE A 31 11.966 -5.684 -11.040 1.00 0.00 N ATOM 479 CA ILE A 31 10.587 -6.021 -10.748 1.00 0.00 C ATOM 480 C ILE A 31 10.466 -7.517 -10.500 1.00 0.00 C ATOM 481 O ILE A 31 9.669 -7.953 -9.686 1.00 0.00 O ATOM 482 CB ILE A 31 9.665 -5.608 -11.896 1.00 0.00 C ATOM 483 CG1 ILE A 31 9.834 -4.146 -12.307 1.00 0.00 C ATOM 484 CG2 ILE A 31 8.254 -5.741 -11.364 1.00 0.00 C ATOM 485 CD1 ILE A 31 10.581 -4.026 -13.626 1.00 0.00 C ATOM 0 H ILE A 31 12.167 -5.534 -12.029 1.00 0.00 H new ATOM 0 HA ILE A 31 10.282 -5.476 -9.854 1.00 0.00 H new ATOM 0 HB ILE A 31 9.892 -6.230 -12.762 1.00 0.00 H new ATOM 0 HG12 ILE A 31 8.855 -3.676 -12.397 1.00 0.00 H new ATOM 0 HG13 ILE A 31 10.376 -3.608 -11.529 1.00 0.00 H new ATOM 0 HG21 ILE A 31 7.544 -5.459 -12.141 1.00 0.00 H new ATOM 0 HG22 ILE A 31 8.074 -6.774 -11.065 1.00 0.00 H new ATOM 0 HG23 ILE A 31 8.127 -5.087 -10.502 1.00 0.00 H new ATOM 0 HD11 ILE A 31 10.685 -2.974 -13.891 1.00 0.00 H new ATOM 0 HD12 ILE A 31 11.569 -4.475 -13.526 1.00 0.00 H new ATOM 0 HD13 ILE A 31 10.025 -4.544 -14.408 1.00 0.00 H new ATOM 497 N THR A 32 11.242 -8.340 -11.188 1.00 0.00 N ATOM 498 CA THR A 32 11.152 -9.772 -10.961 1.00 0.00 C ATOM 499 C THR A 32 11.878 -10.177 -9.676 1.00 0.00 C ATOM 500 O THR A 32 11.515 -11.173 -9.057 1.00 0.00 O ATOM 501 CB THR A 32 11.775 -10.467 -12.175 1.00 0.00 C ATOM 502 OG1 THR A 32 10.974 -10.251 -13.316 1.00 0.00 O ATOM 503 CG2 THR A 32 11.977 -11.966 -11.990 1.00 0.00 C ATOM 0 H THR A 32 11.924 -8.051 -11.890 1.00 0.00 H new ATOM 0 HA THR A 32 10.110 -10.067 -10.840 1.00 0.00 H new ATOM 0 HB THR A 32 12.764 -10.025 -12.299 1.00 0.00 H new ATOM 0 HG1 THR A 32 11.379 -10.697 -14.089 1.00 0.00 H new ATOM 0 HG21 THR A 32 12.422 -12.387 -12.891 1.00 0.00 H new ATOM 0 HG22 THR A 32 12.639 -12.142 -11.142 1.00 0.00 H new ATOM 0 HG23 THR A 32 11.015 -12.443 -11.804 1.00 0.00 H new ATOM 511 N ALA A 33 12.897 -9.420 -9.259 1.00 0.00 N ATOM 512 CA ALA A 33 13.603 -9.718 -8.025 1.00 0.00 C ATOM 513 C ALA A 33 12.862 -9.089 -6.851 1.00 0.00 C ATOM 514 O ALA A 33 12.930 -9.585 -5.725 1.00 0.00 O ATOM 515 CB ALA A 33 15.014 -9.139 -8.095 1.00 0.00 C ATOM 0 H ALA A 33 13.245 -8.602 -9.760 1.00 0.00 H new ATOM 0 HA ALA A 33 13.655 -10.798 -7.889 1.00 0.00 H new ATOM 0 HB1 ALA A 33 15.545 -9.362 -7.170 1.00 0.00 H new ATOM 0 HB2 ALA A 33 15.548 -9.582 -8.936 1.00 0.00 H new ATOM 0 HB3 ALA A 33 14.958 -8.059 -8.230 1.00 0.00 H new ATOM 521 N GLN A 34 12.155 -7.989 -7.118 1.00 0.00 N ATOM 522 CA GLN A 34 11.394 -7.257 -6.134 1.00 0.00 C ATOM 523 C GLN A 34 10.142 -6.687 -6.793 1.00 0.00 C ATOM 524 O GLN A 34 10.027 -5.491 -7.047 1.00 0.00 O ATOM 525 CB GLN A 34 12.308 -6.163 -5.613 1.00 0.00 C ATOM 526 CG GLN A 34 12.165 -5.876 -4.122 1.00 0.00 C ATOM 527 CD GLN A 34 13.253 -4.864 -3.796 1.00 0.00 C ATOM 528 OE1 GLN A 34 14.455 -5.145 -4.291 1.00 0.00 O flip ATOM 529 NE2 GLN A 34 13.025 -3.863 -3.124 1.00 0.00 N flip ATOM 0 H GLN A 34 12.102 -7.582 -8.052 1.00 0.00 H new ATOM 0 HA GLN A 34 11.063 -7.887 -5.308 1.00 0.00 H new ATOM 0 HB2 GLN A 34 13.341 -6.442 -5.819 1.00 0.00 H new ATOM 0 HB3 GLN A 34 12.109 -5.246 -6.167 1.00 0.00 H new ATOM 0 HG2 GLN A 34 11.177 -5.477 -3.892 1.00 0.00 H new ATOM 0 HG3 GLN A 34 12.286 -6.786 -3.534 1.00 0.00 H new ATOM 0 HE21 GLN A 34 12.085 -3.692 -2.767 1.00 0.00 H new ATOM 0 HE22 GLN A 34 13.775 -3.202 -2.923 1.00 0.00 H new ATOM 538 N PRO A 35 9.187 -7.566 -7.079 1.00 0.00 N ATOM 539 CA PRO A 35 7.956 -7.230 -7.775 1.00 0.00 C ATOM 540 C PRO A 35 7.074 -6.369 -6.899 1.00 0.00 C ATOM 541 O PRO A 35 6.061 -5.825 -7.330 1.00 0.00 O ATOM 542 CB PRO A 35 7.334 -8.564 -8.129 1.00 0.00 C ATOM 543 CG PRO A 35 8.090 -9.635 -7.342 1.00 0.00 C ATOM 544 CD PRO A 35 9.283 -8.959 -6.711 1.00 0.00 C ATOM 0 HA PRO A 35 8.117 -6.637 -8.675 1.00 0.00 H new ATOM 0 HB2 PRO A 35 6.274 -8.575 -7.874 1.00 0.00 H new ATOM 0 HB3 PRO A 35 7.406 -8.750 -9.201 1.00 0.00 H new ATOM 0 HG2 PRO A 35 7.449 -10.077 -6.579 1.00 0.00 H new ATOM 0 HG3 PRO A 35 8.408 -10.444 -7.999 1.00 0.00 H new ATOM 0 HD2 PRO A 35 9.272 -9.079 -5.628 1.00 0.00 H new ATOM 0 HD3 PRO A 35 10.215 -9.395 -7.071 1.00 0.00 H new ATOM 552 N GLN A 36 7.511 -6.271 -5.653 1.00 0.00 N ATOM 553 CA GLN A 36 6.988 -5.338 -4.675 1.00 0.00 C ATOM 554 C GLN A 36 7.915 -4.146 -4.443 1.00 0.00 C ATOM 555 O GLN A 36 8.090 -3.703 -3.309 1.00 0.00 O ATOM 556 CB GLN A 36 6.632 -6.044 -3.369 1.00 0.00 C ATOM 557 CG GLN A 36 5.731 -7.263 -3.571 1.00 0.00 C ATOM 558 CD GLN A 36 6.484 -8.535 -3.215 1.00 0.00 C ATOM 559 OE1 GLN A 36 7.219 -9.079 -4.179 1.00 0.00 O flip ATOM 560 NE2 GLN A 36 6.412 -9.021 -2.091 1.00 0.00 N flip ATOM 0 H GLN A 36 8.261 -6.857 -5.287 1.00 0.00 H new ATOM 0 HA GLN A 36 6.067 -4.929 -5.092 1.00 0.00 H new ATOM 0 HB2 GLN A 36 7.549 -6.357 -2.870 1.00 0.00 H new ATOM 0 HB3 GLN A 36 6.134 -5.337 -2.705 1.00 0.00 H new ATOM 0 HG2 GLN A 36 4.840 -7.173 -2.950 1.00 0.00 H new ATOM 0 HG3 GLN A 36 5.394 -7.308 -4.607 1.00 0.00 H new ATOM 0 HE21 GLN A 36 5.837 -8.573 -1.378 1.00 0.00 H new ATOM 0 HE22 GLN A 36 6.928 -9.873 -1.870 1.00 0.00 H new ATOM 569 N ASN A 37 8.512 -3.624 -5.518 1.00 0.00 N ATOM 570 CA ASN A 37 9.368 -2.447 -5.456 1.00 0.00 C ATOM 571 C ASN A 37 9.081 -1.541 -6.644 1.00 0.00 C ATOM 572 O ASN A 37 8.747 -2.006 -7.733 1.00 0.00 O ATOM 573 CB ASN A 37 10.840 -2.872 -5.416 1.00 0.00 C ATOM 574 CG ASN A 37 11.580 -2.469 -6.676 1.00 0.00 C ATOM 575 OD1 ASN A 37 12.277 -1.462 -6.709 1.00 0.00 O ATOM 576 ND2 ASN A 37 11.415 -3.267 -7.719 1.00 0.00 N ATOM 0 H ASN A 37 8.412 -4.011 -6.457 1.00 0.00 H new ATOM 0 HA ASN A 37 9.158 -1.887 -4.545 1.00 0.00 H new ATOM 0 HB2 ASN A 37 11.325 -2.420 -4.550 1.00 0.00 H new ATOM 0 HB3 ASN A 37 10.902 -3.953 -5.288 1.00 0.00 H new ATOM 0 HD21 ASN A 37 11.879 -3.055 -8.602 1.00 0.00 H new ATOM 0 HD22 ASN A 37 10.824 -4.094 -7.640 1.00 0.00 H new ATOM 583 N PRO A 38 9.218 -0.235 -6.417 1.00 0.00 N ATOM 584 CA PRO A 38 8.822 0.790 -7.347 1.00 0.00 C ATOM 585 C PRO A 38 9.935 1.216 -8.290 1.00 0.00 C ATOM 586 O PRO A 38 9.637 1.384 -9.469 1.00 0.00 O ATOM 587 CB PRO A 38 8.424 1.900 -6.401 1.00 0.00 C ATOM 588 CG PRO A 38 9.437 1.833 -5.270 1.00 0.00 C ATOM 589 CD PRO A 38 9.712 0.340 -5.175 1.00 0.00 C ATOM 0 HA PRO A 38 8.038 0.471 -8.033 1.00 0.00 H new ATOM 0 HB2 PRO A 38 8.450 2.870 -6.897 1.00 0.00 H new ATOM 0 HB3 PRO A 38 7.409 1.758 -6.031 1.00 0.00 H new ATOM 0 HG2 PRO A 38 10.340 2.400 -5.498 1.00 0.00 H new ATOM 0 HG3 PRO A 38 9.035 2.233 -4.339 1.00 0.00 H new ATOM 0 HD2 PRO A 38 10.777 0.146 -5.051 1.00 0.00 H new ATOM 0 HD3 PRO A 38 9.206 -0.097 -4.314 1.00 0.00 H new ATOM 597 N VAL A 39 11.193 1.401 -7.858 1.00 0.00 N ATOM 598 CA VAL A 39 12.255 1.647 -8.814 1.00 0.00 C ATOM 599 C VAL A 39 12.205 0.691 -9.989 1.00 0.00 C ATOM 600 O VAL A 39 12.547 1.050 -11.109 1.00 0.00 O ATOM 601 CB VAL A 39 13.627 1.580 -8.162 1.00 0.00 C ATOM 602 CG1 VAL A 39 13.718 1.836 -6.668 1.00 0.00 C ATOM 603 CG2 VAL A 39 14.474 0.415 -8.641 1.00 0.00 C ATOM 0 H VAL A 39 11.483 1.384 -6.880 1.00 0.00 H new ATOM 0 HA VAL A 39 12.091 2.658 -9.188 1.00 0.00 H new ATOM 0 HB VAL A 39 14.091 2.485 -8.553 1.00 0.00 H new ATOM 0 HG11 VAL A 39 14.757 1.754 -6.347 1.00 0.00 H new ATOM 0 HG12 VAL A 39 13.348 2.837 -6.447 1.00 0.00 H new ATOM 0 HG13 VAL A 39 13.115 1.101 -6.135 1.00 0.00 H new ATOM 0 HG21 VAL A 39 15.438 0.433 -8.132 1.00 0.00 H new ATOM 0 HG22 VAL A 39 13.963 -0.522 -8.419 1.00 0.00 H new ATOM 0 HG23 VAL A 39 14.630 0.497 -9.717 1.00 0.00 H new ATOM 613 N GLY A 40 11.769 -0.530 -9.703 1.00 0.00 N ATOM 614 CA GLY A 40 11.610 -1.558 -10.721 1.00 0.00 C ATOM 615 C GLY A 40 10.799 -0.989 -11.877 1.00 0.00 C ATOM 616 O GLY A 40 11.250 -1.009 -13.022 1.00 0.00 O ATOM 0 H GLY A 40 11.517 -0.833 -8.762 1.00 0.00 H new ATOM 0 HA2 GLY A 40 12.586 -1.892 -11.074 1.00 0.00 H new ATOM 0 HA3 GLY A 40 11.107 -2.429 -10.301 1.00 0.00 H new ATOM 620 N TYR A 41 9.610 -0.474 -11.579 1.00 0.00 N ATOM 621 CA TYR A 41 8.763 0.177 -12.551 1.00 0.00 C ATOM 622 C TYR A 41 9.370 1.510 -12.976 1.00 0.00 C ATOM 623 O TYR A 41 9.188 1.934 -14.110 1.00 0.00 O ATOM 624 CB TYR A 41 7.431 0.429 -11.858 1.00 0.00 C ATOM 625 CG TYR A 41 6.720 -0.832 -11.444 1.00 0.00 C ATOM 626 CD1 TYR A 41 5.963 -1.551 -12.382 1.00 0.00 C ATOM 627 CD2 TYR A 41 6.834 -1.286 -10.125 1.00 0.00 C ATOM 628 CE1 TYR A 41 5.329 -2.745 -12.004 1.00 0.00 C ATOM 629 CE2 TYR A 41 6.206 -2.477 -9.740 1.00 0.00 C ATOM 630 CZ TYR A 41 5.453 -3.211 -10.678 1.00 0.00 C ATOM 631 OH TYR A 41 4.842 -4.372 -10.305 1.00 0.00 O ATOM 0 H TYR A 41 9.210 -0.502 -10.641 1.00 0.00 H new ATOM 0 HA TYR A 41 8.648 -0.440 -13.442 1.00 0.00 H new ATOM 0 HB2 TYR A 41 7.601 1.047 -10.976 1.00 0.00 H new ATOM 0 HB3 TYR A 41 6.785 0.998 -12.526 1.00 0.00 H new ATOM 0 HD1 TYR A 41 5.868 -1.186 -13.394 1.00 0.00 H new ATOM 0 HD2 TYR A 41 7.405 -0.719 -9.405 1.00 0.00 H new ATOM 0 HE1 TYR A 41 4.750 -3.304 -12.724 1.00 0.00 H new ATOM 0 HE2 TYR A 41 6.299 -2.833 -8.725 1.00 0.00 H new ATOM 0 HH TYR A 41 4.414 -4.250 -9.432 1.00 0.00 H new ATOM 641 N SER A 42 10.091 2.174 -12.068 1.00 0.00 N ATOM 642 CA SER A 42 10.540 3.547 -12.271 1.00 0.00 C ATOM 643 C SER A 42 11.682 3.650 -13.269 1.00 0.00 C ATOM 644 O SER A 42 11.772 4.634 -13.999 1.00 0.00 O ATOM 645 CB SER A 42 10.978 4.161 -10.942 1.00 0.00 C ATOM 646 OG SER A 42 9.998 3.897 -9.971 1.00 0.00 O ATOM 0 H SER A 42 10.377 1.773 -11.175 1.00 0.00 H new ATOM 0 HA SER A 42 9.692 4.095 -12.680 1.00 0.00 H new ATOM 0 HB2 SER A 42 11.936 3.744 -10.633 1.00 0.00 H new ATOM 0 HB3 SER A 42 11.119 5.236 -11.052 1.00 0.00 H new ATOM 0 HG SER A 42 9.771 2.944 -9.986 1.00 0.00 H new ATOM 652 N ASN A 43 12.558 2.646 -13.310 1.00 0.00 N ATOM 653 CA ASN A 43 13.686 2.662 -14.216 1.00 0.00 C ATOM 654 C ASN A 43 13.193 2.270 -15.610 1.00 0.00 C ATOM 655 O ASN A 43 13.463 2.966 -16.588 1.00 0.00 O ATOM 656 CB ASN A 43 14.742 1.678 -13.710 1.00 0.00 C ATOM 657 CG ASN A 43 15.515 2.166 -12.490 1.00 0.00 C ATOM 658 OD1 ASN A 43 16.739 2.228 -12.521 1.00 0.00 O ATOM 659 ND2 ASN A 43 14.827 2.516 -11.408 1.00 0.00 N ATOM 0 H ASN A 43 12.500 1.814 -12.722 1.00 0.00 H new ATOM 0 HA ASN A 43 14.134 3.654 -14.266 1.00 0.00 H new ATOM 0 HB2 ASN A 43 14.255 0.734 -13.464 1.00 0.00 H new ATOM 0 HB3 ASN A 43 15.447 1.473 -14.515 1.00 0.00 H new ATOM 0 HD21 ASN A 43 15.317 2.846 -10.577 1.00 0.00 H new ATOM 0 HD22 ASN A 43 13.809 2.455 -11.409 1.00 0.00 H new ATOM 666 N LYS A 44 12.460 1.155 -15.694 1.00 0.00 N ATOM 667 CA LYS A 44 11.827 0.680 -16.922 1.00 0.00 C ATOM 668 C LYS A 44 10.907 1.768 -17.474 1.00 0.00 C ATOM 669 O LYS A 44 10.762 1.887 -18.683 1.00 0.00 O ATOM 670 CB LYS A 44 11.059 -0.590 -16.563 1.00 0.00 C ATOM 671 CG LYS A 44 10.357 -1.220 -17.767 1.00 0.00 C ATOM 672 CD LYS A 44 9.739 -2.547 -17.335 1.00 0.00 C ATOM 673 CE LYS A 44 9.066 -3.220 -18.529 1.00 0.00 C ATOM 674 NZ LYS A 44 8.484 -4.520 -18.149 1.00 0.00 N ATOM 0 H LYS A 44 12.289 0.548 -14.893 1.00 0.00 H new ATOM 0 HA LYS A 44 12.558 0.456 -17.699 1.00 0.00 H new ATOM 0 HB2 LYS A 44 11.748 -1.315 -16.130 1.00 0.00 H new ATOM 0 HB3 LYS A 44 10.319 -0.357 -15.798 1.00 0.00 H new ATOM 0 HG2 LYS A 44 9.586 -0.550 -18.148 1.00 0.00 H new ATOM 0 HG3 LYS A 44 11.068 -1.381 -18.577 1.00 0.00 H new ATOM 0 HD2 LYS A 44 10.509 -3.200 -16.925 1.00 0.00 H new ATOM 0 HD3 LYS A 44 9.009 -2.378 -16.543 1.00 0.00 H new ATOM 0 HE2 LYS A 44 8.285 -2.570 -18.924 1.00 0.00 H new ATOM 0 HE3 LYS A 44 9.794 -3.364 -19.327 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 8.078 -4.978 -18.990 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 9.226 -5.128 -17.748 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 7.737 -4.372 -17.441 1.00 0.00 H new ATOM 688 N ALA A 45 10.287 2.566 -16.593 1.00 0.00 N ATOM 689 CA ALA A 45 9.362 3.615 -17.012 1.00 0.00 C ATOM 690 C ALA A 45 10.097 4.799 -17.628 1.00 0.00 C ATOM 691 O ALA A 45 9.759 5.212 -18.734 1.00 0.00 O ATOM 692 CB ALA A 45 8.553 4.103 -15.809 1.00 0.00 C ATOM 0 H ALA A 45 10.414 2.500 -15.583 1.00 0.00 H new ATOM 0 HA ALA A 45 8.700 3.189 -17.766 1.00 0.00 H new ATOM 0 HB1 ALA A 45 7.864 4.886 -16.127 1.00 0.00 H new ATOM 0 HB2 ALA A 45 7.988 3.271 -15.389 1.00 0.00 H new ATOM 0 HB3 ALA A 45 9.230 4.501 -15.053 1.00 0.00 H new ATOM 698 N MET A 46 11.098 5.355 -16.933 1.00 0.00 N ATOM 699 CA MET A 46 11.833 6.499 -17.447 1.00 0.00 C ATOM 700 C MET A 46 12.429 6.193 -18.824 1.00 0.00 C ATOM 701 O MET A 46 12.564 7.083 -19.662 1.00 0.00 O ATOM 702 CB MET A 46 12.931 6.891 -16.458 1.00 0.00 C ATOM 703 CG MET A 46 13.014 8.409 -16.262 1.00 0.00 C ATOM 704 SD MET A 46 13.482 9.376 -17.716 1.00 0.00 S ATOM 705 CE MET A 46 11.860 9.915 -18.314 1.00 0.00 C ATOM 0 H MET A 46 11.410 5.027 -16.019 1.00 0.00 H new ATOM 0 HA MET A 46 11.144 7.335 -17.563 1.00 0.00 H new ATOM 0 HB2 MET A 46 12.742 6.412 -15.498 1.00 0.00 H new ATOM 0 HB3 MET A 46 13.891 6.519 -16.816 1.00 0.00 H new ATOM 0 HG2 MET A 46 12.044 8.763 -15.913 1.00 0.00 H new ATOM 0 HG3 MET A 46 13.733 8.613 -15.468 1.00 0.00 H new ATOM 0 HE1 MET A 46 11.767 9.682 -19.375 1.00 0.00 H new ATOM 0 HE2 MET A 46 11.077 9.398 -17.759 1.00 0.00 H new ATOM 0 HE3 MET A 46 11.757 10.990 -18.168 1.00 0.00 H new ATOM 715 N ALA A 47 12.784 4.926 -19.063 1.00 0.00 N ATOM 716 CA ALA A 47 13.316 4.510 -20.346 1.00 0.00 C ATOM 717 C ALA A 47 12.222 4.427 -21.407 1.00 0.00 C ATOM 718 O ALA A 47 12.465 4.778 -22.558 1.00 0.00 O ATOM 719 CB ALA A 47 13.978 3.150 -20.172 1.00 0.00 C ATOM 0 H ALA A 47 12.709 4.176 -18.376 1.00 0.00 H new ATOM 0 HA ALA A 47 14.042 5.249 -20.686 1.00 0.00 H new ATOM 0 HB1 ALA A 47 14.385 2.819 -21.127 1.00 0.00 H new ATOM 0 HB2 ALA A 47 14.783 3.228 -19.442 1.00 0.00 H new ATOM 0 HB3 ALA A 47 13.240 2.428 -19.822 1.00 0.00 H new ATOM 725 N LEU A 48 11.016 3.973 -21.040 1.00 0.00 N ATOM 726 CA LEU A 48 9.914 3.899 -21.989 1.00 0.00 C ATOM 727 C LEU A 48 9.531 5.277 -22.512 1.00 0.00 C ATOM 728 O LEU A 48 9.002 5.377 -23.614 1.00 0.00 O ATOM 729 CB LEU A 48 8.701 3.233 -21.338 1.00 0.00 C ATOM 730 CG LEU A 48 8.889 1.723 -21.186 1.00 0.00 C ATOM 731 CD1 LEU A 48 7.771 1.171 -20.305 1.00 0.00 C ATOM 732 CD2 LEU A 48 8.851 1.013 -22.534 1.00 0.00 C ATOM 0 H LEU A 48 10.787 3.655 -20.098 1.00 0.00 H new ATOM 0 HA LEU A 48 10.246 3.299 -22.836 1.00 0.00 H new ATOM 0 HB2 LEU A 48 8.526 3.677 -20.358 1.00 0.00 H new ATOM 0 HB3 LEU A 48 7.813 3.429 -21.940 1.00 0.00 H new ATOM 0 HG LEU A 48 9.865 1.546 -20.735 1.00 0.00 H new ATOM 0 HD11 LEU A 48 7.896 0.094 -20.190 1.00 0.00 H new ATOM 0 HD12 LEU A 48 7.811 1.647 -19.325 1.00 0.00 H new ATOM 0 HD13 LEU A 48 6.807 1.377 -20.769 1.00 0.00 H new ATOM 0 HD21 LEU A 48 8.988 -0.058 -22.385 1.00 0.00 H new ATOM 0 HD22 LEU A 48 7.888 1.193 -23.013 1.00 0.00 H new ATOM 0 HD23 LEU A 48 9.649 1.396 -23.170 1.00 0.00 H new ATOM 744 N ILE A 49 9.788 6.342 -21.751 1.00 0.00 N ATOM 745 CA ILE A 49 9.541 7.691 -22.233 1.00 0.00 C ATOM 746 C ILE A 49 10.569 8.029 -23.301 1.00 0.00 C ATOM 747 O ILE A 49 10.221 8.533 -24.370 1.00 0.00 O ATOM 748 CB ILE A 49 9.658 8.678 -21.061 1.00 0.00 C ATOM 749 CG1 ILE A 49 8.340 8.812 -20.298 1.00 0.00 C ATOM 750 CG2 ILE A 49 10.068 10.068 -21.556 1.00 0.00 C ATOM 751 CD1 ILE A 49 8.041 7.585 -19.450 1.00 0.00 C ATOM 0 H ILE A 49 10.165 6.292 -20.805 1.00 0.00 H new ATOM 0 HA ILE A 49 8.540 7.760 -22.658 1.00 0.00 H new ATOM 0 HB ILE A 49 10.421 8.277 -20.394 1.00 0.00 H new ATOM 0 HG12 ILE A 49 8.381 9.693 -19.658 1.00 0.00 H new ATOM 0 HG13 ILE A 49 7.526 8.970 -21.006 1.00 0.00 H new ATOM 0 HG21 ILE A 49 10.144 10.748 -20.708 1.00 0.00 H new ATOM 0 HG22 ILE A 49 11.033 10.005 -22.059 1.00 0.00 H new ATOM 0 HG23 ILE A 49 9.319 10.441 -22.254 1.00 0.00 H new ATOM 0 HD11 ILE A 49 7.095 7.726 -18.927 1.00 0.00 H new ATOM 0 HD12 ILE A 49 7.973 6.707 -20.092 1.00 0.00 H new ATOM 0 HD13 ILE A 49 8.840 7.442 -18.723 1.00 0.00 H new ATOM 763 N LYS A 50 11.840 7.745 -23.010 1.00 0.00 N ATOM 764 CA LYS A 50 12.920 7.906 -23.953 1.00 0.00 C ATOM 765 C LYS A 50 12.784 6.966 -25.159 1.00 0.00 C ATOM 766 O LYS A 50 13.543 7.087 -26.121 1.00 0.00 O ATOM 767 CB LYS A 50 14.215 7.671 -23.191 1.00 0.00 C ATOM 768 CG LYS A 50 15.047 8.946 -23.191 1.00 0.00 C ATOM 769 CD LYS A 50 14.395 10.031 -22.336 1.00 0.00 C ATOM 770 CE LYS A 50 14.587 9.719 -20.858 1.00 0.00 C ATOM 771 NZ LYS A 50 14.563 10.962 -20.061 1.00 0.00 N ATOM 0 H LYS A 50 12.139 7.394 -22.100 1.00 0.00 H new ATOM 0 HA LYS A 50 12.904 8.911 -24.375 1.00 0.00 H new ATOM 0 HB2 LYS A 50 13.996 7.368 -22.167 1.00 0.00 H new ATOM 0 HB3 LYS A 50 14.777 6.858 -23.651 1.00 0.00 H new ATOM 0 HG2 LYS A 50 16.046 8.731 -22.811 1.00 0.00 H new ATOM 0 HG3 LYS A 50 15.165 9.306 -24.213 1.00 0.00 H new ATOM 0 HD2 LYS A 50 14.832 11.001 -22.571 1.00 0.00 H new ATOM 0 HD3 LYS A 50 13.332 10.097 -22.567 1.00 0.00 H new ATOM 0 HE2 LYS A 50 13.800 9.046 -20.517 1.00 0.00 H new ATOM 0 HE3 LYS A 50 15.535 9.203 -20.709 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 14.192 10.758 -19.111 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 15.528 11.342 -19.981 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 13.953 11.662 -20.528 1.00 0.00 H new ATOM 785 N LEU A 51 11.822 6.034 -25.111 1.00 0.00 N ATOM 786 CA LEU A 51 11.491 5.140 -26.207 1.00 0.00 C ATOM 787 C LEU A 51 10.159 5.580 -26.824 1.00 0.00 C ATOM 788 O LEU A 51 9.783 5.116 -27.900 1.00 0.00 O ATOM 789 CB LEU A 51 11.380 3.717 -25.659 1.00 0.00 C ATOM 790 CG LEU A 51 12.735 3.117 -25.258 1.00 0.00 C ATOM 791 CD1 LEU A 51 12.506 1.804 -24.512 1.00 0.00 C ATOM 792 CD2 LEU A 51 13.600 2.829 -26.481 1.00 0.00 C ATOM 0 H LEU A 51 11.244 5.885 -24.284 1.00 0.00 H new ATOM 0 HA LEU A 51 12.263 5.170 -26.976 1.00 0.00 H new ATOM 0 HB2 LEU A 51 10.720 3.719 -24.792 1.00 0.00 H new ATOM 0 HB3 LEU A 51 10.916 3.080 -26.412 1.00 0.00 H new ATOM 0 HG LEU A 51 13.248 3.841 -24.625 1.00 0.00 H new ATOM 0 HD11 LEU A 51 13.467 1.376 -24.226 1.00 0.00 H new ATOM 0 HD12 LEU A 51 11.912 1.992 -23.618 1.00 0.00 H new ATOM 0 HD13 LEU A 51 11.976 1.106 -25.159 1.00 0.00 H new ATOM 0 HD21 LEU A 51 14.552 2.405 -26.162 1.00 0.00 H new ATOM 0 HD22 LEU A 51 13.087 2.120 -27.131 1.00 0.00 H new ATOM 0 HD23 LEU A 51 13.780 3.756 -27.026 1.00 0.00 H new ATOM 804 N GLY A 52 9.454 6.479 -26.129 1.00 0.00 N ATOM 805 CA GLY A 52 8.162 7.018 -26.509 1.00 0.00 C ATOM 806 C GLY A 52 7.062 5.967 -26.417 1.00 0.00 C ATOM 807 O GLY A 52 5.970 6.143 -26.954 1.00 0.00 O ATOM 0 H GLY A 52 9.792 6.863 -25.247 1.00 0.00 H new ATOM 0 HA2 GLY A 52 7.915 7.860 -25.863 1.00 0.00 H new ATOM 0 HA3 GLY A 52 8.214 7.402 -27.528 1.00 0.00 H new ATOM 811 N GLU A 53 7.364 4.868 -25.722 1.00 0.00 N ATOM 812 CA GLU A 53 6.446 3.790 -25.405 1.00 0.00 C ATOM 813 C GLU A 53 5.684 4.163 -24.156 1.00 0.00 C ATOM 814 O GLU A 53 5.481 3.370 -23.237 1.00 0.00 O ATOM 815 CB GLU A 53 7.238 2.493 -25.271 1.00 0.00 C ATOM 816 CG GLU A 53 7.919 2.149 -26.597 1.00 0.00 C ATOM 817 CD GLU A 53 6.914 1.610 -27.611 1.00 0.00 C ATOM 818 OE1 GLU A 53 6.633 0.390 -27.556 1.00 0.00 O ATOM 819 OE2 GLU A 53 6.428 2.417 -28.436 1.00 0.00 O ATOM 0 H GLU A 53 8.300 4.705 -25.351 1.00 0.00 H new ATOM 0 HA GLU A 53 5.712 3.631 -26.195 1.00 0.00 H new ATOM 0 HB2 GLU A 53 7.987 2.595 -24.485 1.00 0.00 H new ATOM 0 HB3 GLU A 53 6.573 1.682 -24.974 1.00 0.00 H new ATOM 0 HG2 GLU A 53 8.405 3.037 -27.000 1.00 0.00 H new ATOM 0 HG3 GLU A 53 8.700 1.408 -26.426 1.00 0.00 H new ATOM 826 N TYR A 54 5.269 5.425 -24.169 1.00 0.00 N ATOM 827 CA TYR A 54 4.480 6.051 -23.153 1.00 0.00 C ATOM 828 C TYR A 54 3.293 5.190 -22.752 1.00 0.00 C ATOM 829 O TYR A 54 2.948 5.145 -21.578 1.00 0.00 O ATOM 830 CB TYR A 54 3.960 7.333 -23.770 1.00 0.00 C ATOM 831 CG TYR A 54 5.002 8.290 -24.294 1.00 0.00 C ATOM 832 CD1 TYR A 54 6.115 8.627 -23.514 1.00 0.00 C ATOM 833 CD2 TYR A 54 4.865 8.834 -25.578 1.00 0.00 C ATOM 834 CE1 TYR A 54 7.086 9.503 -24.021 1.00 0.00 C ATOM 835 CE2 TYR A 54 5.846 9.683 -26.103 1.00 0.00 C ATOM 836 CZ TYR A 54 6.957 10.038 -25.313 1.00 0.00 C ATOM 837 OH TYR A 54 7.903 10.891 -25.799 1.00 0.00 O ATOM 0 H TYR A 54 5.494 6.059 -24.936 1.00 0.00 H new ATOM 0 HA TYR A 54 5.080 6.216 -22.258 1.00 0.00 H new ATOM 0 HB2 TYR A 54 3.291 7.072 -24.590 1.00 0.00 H new ATOM 0 HB3 TYR A 54 3.361 7.854 -23.023 1.00 0.00 H new ATOM 0 HD1 TYR A 54 6.226 8.213 -22.523 1.00 0.00 H new ATOM 0 HD2 TYR A 54 3.993 8.596 -26.169 1.00 0.00 H new ATOM 0 HE1 TYR A 54 7.939 9.768 -23.414 1.00 0.00 H new ATOM 0 HE2 TYR A 54 5.752 10.064 -27.109 1.00 0.00 H new ATOM 0 HH TYR A 54 7.660 11.166 -26.708 1.00 0.00 H new ATOM 847 N THR A 55 2.661 4.498 -23.709 1.00 0.00 N ATOM 848 CA THR A 55 1.476 3.707 -23.402 1.00 0.00 C ATOM 849 C THR A 55 1.787 2.729 -22.286 1.00 0.00 C ATOM 850 O THR A 55 0.959 2.477 -21.413 1.00 0.00 O ATOM 851 CB THR A 55 1.015 2.910 -24.620 1.00 0.00 C ATOM 852 OG1 THR A 55 1.192 3.629 -25.816 1.00 0.00 O ATOM 853 CG2 THR A 55 -0.460 2.582 -24.431 1.00 0.00 C ATOM 0 H THR A 55 2.950 4.473 -24.687 1.00 0.00 H new ATOM 0 HA THR A 55 0.686 4.395 -23.102 1.00 0.00 H new ATOM 0 HB THR A 55 1.615 2.003 -24.699 1.00 0.00 H new ATOM 0 HG1 THR A 55 0.887 3.086 -26.573 1.00 0.00 H new ATOM 0 HG21 THR A 55 -0.819 2.011 -25.288 1.00 0.00 H new ATOM 0 HG22 THR A 55 -0.588 1.993 -23.523 1.00 0.00 H new ATOM 0 HG23 THR A 55 -1.031 3.507 -24.347 1.00 0.00 H new ATOM 861 N GLN A 56 3.002 2.181 -22.330 1.00 0.00 N ATOM 862 CA GLN A 56 3.479 1.221 -21.353 1.00 0.00 C ATOM 863 C GLN A 56 4.006 1.942 -20.120 1.00 0.00 C ATOM 864 O GLN A 56 3.807 1.495 -18.995 1.00 0.00 O ATOM 865 CB GLN A 56 4.598 0.404 -21.995 1.00 0.00 C ATOM 866 CG GLN A 56 4.161 -0.210 -23.326 1.00 0.00 C ATOM 867 CD GLN A 56 2.897 -1.045 -23.177 1.00 0.00 C ATOM 868 OE1 GLN A 56 1.747 -0.414 -23.384 1.00 0.00 O flip ATOM 869 NE2 GLN A 56 2.950 -2.235 -22.881 1.00 0.00 N flip ATOM 0 H GLN A 56 3.685 2.398 -23.056 1.00 0.00 H new ATOM 0 HA GLN A 56 2.663 0.568 -21.044 1.00 0.00 H new ATOM 0 HB2 GLN A 56 5.467 1.042 -22.157 1.00 0.00 H new ATOM 0 HB3 GLN A 56 4.907 -0.388 -21.313 1.00 0.00 H new ATOM 0 HG2 GLN A 56 3.988 0.584 -24.053 1.00 0.00 H new ATOM 0 HG3 GLN A 56 4.964 -0.833 -23.719 1.00 0.00 H new ATOM 0 HE21 GLN A 56 3.854 -2.683 -22.730 1.00 0.00 H new ATOM 0 HE22 GLN A 56 2.090 -2.776 -22.786 1.00 0.00 H new ATOM 878 N ALA A 57 4.684 3.069 -20.343 1.00 0.00 N ATOM 879 CA ALA A 57 5.223 3.903 -19.285 1.00 0.00 C ATOM 880 C ALA A 57 4.154 4.344 -18.289 1.00 0.00 C ATOM 881 O ALA A 57 4.407 4.378 -17.087 1.00 0.00 O ATOM 882 CB ALA A 57 5.830 5.137 -19.941 1.00 0.00 C ATOM 0 H ALA A 57 4.873 3.427 -21.279 1.00 0.00 H new ATOM 0 HA ALA A 57 5.963 3.328 -18.728 1.00 0.00 H new ATOM 0 HB1 ALA A 57 6.246 5.789 -19.174 1.00 0.00 H new ATOM 0 HB2 ALA A 57 6.621 4.833 -20.627 1.00 0.00 H new ATOM 0 HB3 ALA A 57 5.058 5.673 -20.493 1.00 0.00 H new ATOM 888 N ILE A 58 2.964 4.682 -18.791 1.00 0.00 N ATOM 889 CA ILE A 58 1.851 5.116 -17.957 1.00 0.00 C ATOM 890 C ILE A 58 1.468 3.991 -17.005 1.00 0.00 C ATOM 891 O ILE A 58 1.104 4.248 -15.860 1.00 0.00 O ATOM 892 CB ILE A 58 0.676 5.481 -18.868 1.00 0.00 C ATOM 893 CG1 ILE A 58 1.060 6.640 -19.786 1.00 0.00 C ATOM 894 CG2 ILE A 58 -0.570 5.901 -18.090 1.00 0.00 C ATOM 895 CD1 ILE A 58 0.246 6.551 -21.073 1.00 0.00 C ATOM 0 H ILE A 58 2.749 4.661 -19.788 1.00 0.00 H new ATOM 0 HA ILE A 58 2.130 5.988 -17.365 1.00 0.00 H new ATOM 0 HB ILE A 58 0.446 4.581 -19.438 1.00 0.00 H new ATOM 0 HG12 ILE A 58 0.873 7.591 -19.288 1.00 0.00 H new ATOM 0 HG13 ILE A 58 2.126 6.603 -20.012 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -1.369 6.148 -18.789 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -0.891 5.082 -17.447 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -0.340 6.774 -17.479 1.00 0.00 H new ATOM 0 HD11 ILE A 58 0.516 7.376 -21.732 1.00 0.00 H new ATOM 0 HD12 ILE A 58 0.456 5.605 -21.572 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -0.816 6.609 -20.836 1.00 0.00 H new ATOM 907 N GLN A 59 1.552 2.740 -17.475 1.00 0.00 N ATOM 908 CA GLN A 59 1.227 1.589 -16.661 1.00 0.00 C ATOM 909 C GLN A 59 2.286 1.361 -15.590 1.00 0.00 C ATOM 910 O GLN A 59 1.964 0.934 -14.484 1.00 0.00 O ATOM 911 CB GLN A 59 1.158 0.362 -17.559 1.00 0.00 C ATOM 912 CG GLN A 59 0.177 0.521 -18.713 1.00 0.00 C ATOM 913 CD GLN A 59 -1.129 1.140 -18.260 1.00 0.00 C ATOM 914 OE1 GLN A 59 -1.821 0.611 -17.394 1.00 0.00 O ATOM 915 NE2 GLN A 59 -1.474 2.275 -18.854 1.00 0.00 N ATOM 0 H GLN A 59 1.846 2.511 -18.424 1.00 0.00 H new ATOM 0 HA GLN A 59 0.270 1.764 -16.169 1.00 0.00 H new ATOM 0 HB2 GLN A 59 2.151 0.156 -17.959 1.00 0.00 H new ATOM 0 HB3 GLN A 59 0.870 -0.503 -16.961 1.00 0.00 H new ATOM 0 HG2 GLN A 59 0.625 1.144 -19.488 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -0.019 -0.453 -19.161 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -0.870 2.681 -19.569 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -2.343 2.742 -18.596 1.00 0.00 H new ATOM 924 N MET A 60 3.552 1.643 -15.910 1.00 0.00 N ATOM 925 CA MET A 60 4.647 1.467 -14.964 1.00 0.00 C ATOM 926 C MET A 60 4.555 2.485 -13.834 1.00 0.00 C ATOM 927 O MET A 60 4.696 2.126 -12.669 1.00 0.00 O ATOM 928 CB MET A 60 5.992 1.664 -15.668 1.00 0.00 C ATOM 929 CG MET A 60 6.287 0.704 -16.820 1.00 0.00 C ATOM 930 SD MET A 60 6.202 -1.067 -16.435 1.00 0.00 S ATOM 931 CE MET A 60 4.467 -1.345 -16.863 1.00 0.00 C ATOM 0 H MET A 60 3.840 1.996 -16.823 1.00 0.00 H new ATOM 0 HA MET A 60 4.573 0.457 -14.560 1.00 0.00 H new ATOM 0 HB2 MET A 60 6.035 2.684 -16.050 1.00 0.00 H new ATOM 0 HB3 MET A 60 6.786 1.568 -14.927 1.00 0.00 H new ATOM 0 HG2 MET A 60 5.585 0.912 -17.627 1.00 0.00 H new ATOM 0 HG3 MET A 60 7.284 0.923 -17.201 1.00 0.00 H new ATOM 0 HE1 MET A 60 4.309 -2.403 -17.073 1.00 0.00 H new ATOM 0 HE2 MET A 60 3.834 -1.042 -16.029 1.00 0.00 H new ATOM 0 HE3 MET A 60 4.211 -0.758 -17.745 1.00 0.00 H new ATOM 941 N CYS A 61 4.320 3.755 -14.170 1.00 0.00 N ATOM 942 CA CYS A 61 4.354 4.819 -13.180 1.00 0.00 C ATOM 943 C CYS A 61 3.244 4.615 -12.143 1.00 0.00 C ATOM 944 O CYS A 61 3.496 4.598 -10.944 1.00 0.00 O ATOM 945 CB CYS A 61 4.227 6.159 -13.896 1.00 0.00 C ATOM 946 SG CYS A 61 5.646 6.377 -14.998 1.00 0.00 S ATOM 0 H CYS A 61 4.105 4.065 -15.118 1.00 0.00 H new ATOM 0 HA CYS A 61 5.301 4.803 -12.640 1.00 0.00 H new ATOM 0 HB2 CYS A 61 3.299 6.194 -14.466 1.00 0.00 H new ATOM 0 HB3 CYS A 61 4.186 6.971 -13.170 1.00 0.00 H new ATOM 0 HG CYS A 61 5.476 5.662 -16.071 1.00 0.00 H new ATOM 952 N GLN A 62 1.996 4.453 -12.576 1.00 0.00 N ATOM 953 CA GLN A 62 0.905 4.206 -11.647 1.00 0.00 C ATOM 954 C GLN A 62 1.067 2.919 -10.816 1.00 0.00 C ATOM 955 O GLN A 62 0.568 2.865 -9.695 1.00 0.00 O ATOM 956 CB GLN A 62 -0.422 4.229 -12.400 1.00 0.00 C ATOM 957 CG GLN A 62 -0.488 3.179 -13.511 1.00 0.00 C ATOM 958 CD GLN A 62 -1.446 2.044 -13.170 1.00 0.00 C ATOM 959 OE1 GLN A 62 -1.392 1.543 -11.939 1.00 0.00 O flip ATOM 960 NE2 GLN A 62 -2.233 1.616 -14.010 1.00 0.00 N flip ATOM 0 H GLN A 62 1.720 4.489 -13.557 1.00 0.00 H new ATOM 0 HA GLN A 62 0.923 5.011 -10.913 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -1.237 4.060 -11.697 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -0.573 5.219 -12.831 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -0.805 3.654 -14.440 1.00 0.00 H new ATOM 0 HG3 GLN A 62 0.508 2.772 -13.685 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -2.250 2.021 -14.946 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -2.869 0.855 -13.772 1.00 0.00 H new ATOM 969 N GLN A 63 1.746 1.886 -11.330 1.00 0.00 N ATOM 970 CA GLN A 63 2.038 0.679 -10.565 1.00 0.00 C ATOM 971 C GLN A 63 3.059 0.966 -9.476 1.00 0.00 C ATOM 972 O GLN A 63 2.883 0.491 -8.365 1.00 0.00 O ATOM 973 CB GLN A 63 2.610 -0.384 -11.506 1.00 0.00 C ATOM 974 CG GLN A 63 1.687 -1.590 -11.675 1.00 0.00 C ATOM 975 CD GLN A 63 0.278 -1.211 -12.104 1.00 0.00 C ATOM 976 OE1 GLN A 63 -0.660 -1.305 -11.316 1.00 0.00 O ATOM 977 NE2 GLN A 63 0.103 -0.782 -13.348 1.00 0.00 N ATOM 0 H GLN A 63 2.105 1.868 -12.285 1.00 0.00 H new ATOM 0 HA GLN A 63 1.115 0.328 -10.103 1.00 0.00 H new ATOM 0 HB2 GLN A 63 2.795 0.064 -12.482 1.00 0.00 H new ATOM 0 HB3 GLN A 63 3.573 -0.721 -11.122 1.00 0.00 H new ATOM 0 HG2 GLN A 63 2.115 -2.266 -12.415 1.00 0.00 H new ATOM 0 HG3 GLN A 63 1.638 -2.137 -10.733 1.00 0.00 H new ATOM 0 HE21 GLN A 63 0.900 -0.714 -13.981 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -0.828 -0.520 -13.671 1.00 0.00 H new ATOM 986 N GLY A 64 4.116 1.728 -9.760 1.00 0.00 N ATOM 987 CA GLY A 64 5.099 2.055 -8.740 1.00 0.00 C ATOM 988 C GLY A 64 4.446 2.561 -7.450 1.00 0.00 C ATOM 989 O GLY A 64 4.973 2.321 -6.368 1.00 0.00 O ATOM 0 H GLY A 64 4.308 2.124 -10.680 1.00 0.00 H new ATOM 0 HA2 GLY A 64 5.699 1.172 -8.520 1.00 0.00 H new ATOM 0 HA3 GLY A 64 5.779 2.815 -9.124 1.00 0.00 H new ATOM 993 N LEU A 65 3.306 3.252 -7.551 1.00 0.00 N ATOM 994 CA LEU A 65 2.613 3.834 -6.402 1.00 0.00 C ATOM 995 C LEU A 65 1.983 2.787 -5.488 1.00 0.00 C ATOM 996 O LEU A 65 1.454 3.118 -4.428 1.00 0.00 O ATOM 997 CB LEU A 65 1.537 4.799 -6.905 1.00 0.00 C ATOM 998 CG LEU A 65 2.206 5.935 -7.673 1.00 0.00 C ATOM 999 CD1 LEU A 65 1.168 6.698 -8.483 1.00 0.00 C ATOM 1000 CD2 LEU A 65 2.903 6.886 -6.700 1.00 0.00 C ATOM 0 H LEU A 65 2.836 3.423 -8.440 1.00 0.00 H new ATOM 0 HA LEU A 65 3.358 4.360 -5.804 1.00 0.00 H new ATOM 0 HB2 LEU A 65 0.832 4.274 -7.549 1.00 0.00 H new ATOM 0 HB3 LEU A 65 0.967 5.197 -6.066 1.00 0.00 H new ATOM 0 HG LEU A 65 2.948 5.512 -8.351 1.00 0.00 H new ATOM 0 HD11 LEU A 65 1.654 7.507 -9.028 1.00 0.00 H new ATOM 0 HD12 LEU A 65 0.689 6.021 -9.190 1.00 0.00 H new ATOM 0 HD13 LEU A 65 0.416 7.113 -7.812 1.00 0.00 H new ATOM 0 HD21 LEU A 65 3.378 7.693 -7.258 1.00 0.00 H new ATOM 0 HD22 LEU A 65 2.169 7.303 -6.011 1.00 0.00 H new ATOM 0 HD23 LEU A 65 3.660 6.340 -6.137 1.00 0.00 H new ATOM 1012 N ARG A 66 2.035 1.519 -5.895 1.00 0.00 N ATOM 1013 CA ARG A 66 1.536 0.389 -5.145 1.00 0.00 C ATOM 1014 C ARG A 66 2.638 -0.088 -4.210 1.00 0.00 C ATOM 1015 O ARG A 66 2.407 -0.850 -3.274 1.00 0.00 O ATOM 1016 CB ARG A 66 1.235 -0.680 -6.185 1.00 0.00 C ATOM 1017 CG ARG A 66 0.120 -0.198 -7.107 1.00 0.00 C ATOM 1018 CD ARG A 66 -0.167 -1.268 -8.149 1.00 0.00 C ATOM 1019 NE ARG A 66 -0.741 -2.477 -7.550 1.00 0.00 N ATOM 1020 CZ ARG A 66 -1.390 -3.422 -8.235 1.00 0.00 C ATOM 1021 NH1 ARG A 66 -1.563 -3.314 -9.551 1.00 0.00 N ATOM 1022 NH2 ARG A 66 -1.873 -4.489 -7.606 1.00 0.00 N ATOM 0 H ARG A 66 2.443 1.251 -6.791 1.00 0.00 H new ATOM 0 HA ARG A 66 0.654 0.626 -4.550 1.00 0.00 H new ATOM 0 HB2 ARG A 66 2.131 -0.899 -6.765 1.00 0.00 H new ATOM 0 HB3 ARG A 66 0.939 -1.607 -5.693 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -0.780 0.014 -6.529 1.00 0.00 H new ATOM 0 HG3 ARG A 66 0.412 0.732 -7.595 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -0.855 -0.872 -8.896 1.00 0.00 H new ATOM 0 HD3 ARG A 66 0.756 -1.524 -8.670 1.00 0.00 H new ATOM 0 HE ARG A 66 -0.638 -2.605 -6.543 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -1.198 -2.502 -10.048 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -2.061 -4.043 -10.062 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -1.748 -4.587 -6.598 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -2.368 -5.210 -8.131 1.00 0.00 H new ATOM 1036 N TYR A 67 3.841 0.395 -4.512 1.00 0.00 N ATOM 1037 CA TYR A 67 5.094 0.043 -3.876 1.00 0.00 C ATOM 1038 C TYR A 67 5.838 1.235 -3.269 1.00 0.00 C ATOM 1039 O TYR A 67 7.056 1.177 -3.123 1.00 0.00 O ATOM 1040 CB TYR A 67 5.910 -0.612 -4.977 1.00 0.00 C ATOM 1041 CG TYR A 67 5.107 -1.684 -5.667 1.00 0.00 C ATOM 1042 CD1 TYR A 67 4.846 -2.911 -5.048 1.00 0.00 C ATOM 1043 CD2 TYR A 67 4.580 -1.420 -6.934 1.00 0.00 C ATOM 1044 CE1 TYR A 67 4.077 -3.882 -5.708 1.00 0.00 C ATOM 1045 CE2 TYR A 67 3.790 -2.364 -7.593 1.00 0.00 C ATOM 1046 CZ TYR A 67 3.536 -3.608 -6.982 1.00 0.00 C ATOM 1047 OH TYR A 67 2.771 -4.541 -7.617 1.00 0.00 O ATOM 0 H TYR A 67 3.967 1.084 -5.253 1.00 0.00 H new ATOM 0 HA TYR A 67 4.918 -0.613 -3.024 1.00 0.00 H new ATOM 0 HB2 TYR A 67 6.222 0.140 -5.702 1.00 0.00 H new ATOM 0 HB3 TYR A 67 6.818 -1.044 -4.556 1.00 0.00 H new ATOM 0 HD1 TYR A 67 5.237 -3.111 -4.061 1.00 0.00 H new ATOM 0 HD2 TYR A 67 4.787 -0.473 -7.410 1.00 0.00 H new ATOM 0 HE1 TYR A 67 3.899 -4.839 -5.241 1.00 0.00 H new ATOM 0 HE2 TYR A 67 3.376 -2.142 -8.565 1.00 0.00 H new ATOM 0 HH TYR A 67 2.478 -4.189 -8.484 1.00 0.00 H new ATOM 1057 N THR A 68 5.134 2.316 -2.914 1.00 0.00 N ATOM 1058 CA THR A 68 5.756 3.509 -2.331 1.00 0.00 C ATOM 1059 C THR A 68 5.099 3.870 -1.000 1.00 0.00 C ATOM 1060 O THR A 68 5.123 5.027 -0.583 1.00 0.00 O ATOM 1061 CB THR A 68 5.695 4.692 -3.301 1.00 0.00 C ATOM 1062 OG1 THR A 68 4.373 4.892 -3.743 1.00 0.00 O ATOM 1063 CG2 THR A 68 6.600 4.468 -4.507 1.00 0.00 C ATOM 0 H THR A 68 4.122 2.388 -3.022 1.00 0.00 H new ATOM 0 HA THR A 68 6.805 3.280 -2.143 1.00 0.00 H new ATOM 0 HB THR A 68 6.042 5.576 -2.765 1.00 0.00 H new ATOM 0 HG1 THR A 68 3.966 5.626 -3.236 1.00 0.00 H new ATOM 0 HG21 THR A 68 6.534 5.326 -5.176 1.00 0.00 H new ATOM 0 HG22 THR A 68 7.630 4.348 -4.172 1.00 0.00 H new ATOM 0 HG23 THR A 68 6.284 3.569 -5.037 1.00 0.00 H new ATOM 1071 N SER A 69 4.505 2.879 -0.330 1.00 0.00 N ATOM 1072 CA SER A 69 3.841 3.040 0.960 1.00 0.00 C ATOM 1073 C SER A 69 4.798 3.408 2.100 1.00 0.00 C ATOM 1074 O SER A 69 4.388 3.458 3.258 1.00 0.00 O ATOM 1075 CB SER A 69 3.158 1.725 1.312 1.00 0.00 C ATOM 1076 OG SER A 69 2.126 1.451 0.386 1.00 0.00 O ATOM 0 H SER A 69 4.473 1.921 -0.680 1.00 0.00 H new ATOM 0 HA SER A 69 3.134 3.863 0.858 1.00 0.00 H new ATOM 0 HB2 SER A 69 3.887 0.915 1.306 1.00 0.00 H new ATOM 0 HB3 SER A 69 2.748 1.778 2.321 1.00 0.00 H new ATOM 0 HG SER A 69 1.694 0.603 0.619 1.00 0.00 H new ATOM 1082 N THR A 70 6.068 3.663 1.782 1.00 0.00 N ATOM 1083 CA THR A 70 7.105 3.949 2.764 1.00 0.00 C ATOM 1084 C THR A 70 8.014 5.088 2.296 1.00 0.00 C ATOM 1085 O THR A 70 8.125 5.361 1.099 1.00 0.00 O ATOM 1086 CB THR A 70 7.908 2.671 3.030 1.00 0.00 C ATOM 1087 OG1 THR A 70 8.987 2.958 3.891 1.00 0.00 O ATOM 1088 CG2 THR A 70 8.443 2.076 1.728 1.00 0.00 C ATOM 0 H THR A 70 6.406 3.676 0.820 1.00 0.00 H new ATOM 0 HA THR A 70 6.638 4.278 3.692 1.00 0.00 H new ATOM 0 HB THR A 70 7.244 1.943 3.496 1.00 0.00 H new ATOM 0 HG1 THR A 70 9.497 2.139 4.060 1.00 0.00 H new ATOM 0 HG21 THR A 70 9.009 1.170 1.947 1.00 0.00 H new ATOM 0 HG22 THR A 70 7.609 1.833 1.070 1.00 0.00 H new ATOM 0 HG23 THR A 70 9.093 2.800 1.237 1.00 0.00 H new ATOM 1096 N ALA A 71 8.663 5.761 3.252 1.00 0.00 N ATOM 1097 CA ALA A 71 9.461 6.950 2.994 1.00 0.00 C ATOM 1098 C ALA A 71 10.827 6.651 2.368 1.00 0.00 C ATOM 1099 O ALA A 71 11.539 7.584 1.998 1.00 0.00 O ATOM 1100 CB ALA A 71 9.634 7.726 4.299 1.00 0.00 C ATOM 0 H ALA A 71 8.645 5.488 4.234 1.00 0.00 H new ATOM 0 HA ALA A 71 8.922 7.546 2.258 1.00 0.00 H new ATOM 0 HB1 ALA A 71 10.231 8.619 4.115 1.00 0.00 H new ATOM 0 HB2 ALA A 71 8.656 8.016 4.682 1.00 0.00 H new ATOM 0 HB3 ALA A 71 10.139 7.097 5.032 1.00 0.00 H new ATOM 1106 N GLU A 72 11.220 5.380 2.232 1.00 0.00 N ATOM 1107 CA GLU A 72 12.417 5.048 1.472 1.00 0.00 C ATOM 1108 C GLU A 72 12.130 5.133 -0.021 1.00 0.00 C ATOM 1109 O GLU A 72 13.054 5.169 -0.830 1.00 0.00 O ATOM 1110 CB GLU A 72 12.884 3.636 1.816 1.00 0.00 C ATOM 1111 CG GLU A 72 11.792 2.595 1.593 1.00 0.00 C ATOM 1112 CD GLU A 72 12.238 1.223 2.090 1.00 0.00 C ATOM 1113 OE1 GLU A 72 13.038 0.582 1.374 1.00 0.00 O ATOM 1114 OE2 GLU A 72 11.779 0.823 3.186 1.00 0.00 O ATOM 0 H GLU A 72 10.732 4.580 2.633 1.00 0.00 H new ATOM 0 HA GLU A 72 13.200 5.761 1.731 1.00 0.00 H new ATOM 0 HB2 GLU A 72 13.752 3.384 1.207 1.00 0.00 H new ATOM 0 HB3 GLU A 72 13.205 3.605 2.857 1.00 0.00 H new ATOM 0 HG2 GLU A 72 10.884 2.897 2.114 1.00 0.00 H new ATOM 0 HG3 GLU A 72 11.547 2.540 0.532 1.00 0.00 H new ATOM 1121 N HIS A 73 10.842 5.166 -0.380 1.00 0.00 N ATOM 1122 CA HIS A 73 10.398 5.097 -1.760 1.00 0.00 C ATOM 1123 C HIS A 73 9.622 6.350 -2.155 1.00 0.00 C ATOM 1124 O HIS A 73 9.059 6.412 -3.246 1.00 0.00 O ATOM 1125 CB HIS A 73 9.557 3.837 -1.956 1.00 0.00 C ATOM 1126 CG HIS A 73 10.352 2.554 -1.962 1.00 0.00 C ATOM 1127 ND1 HIS A 73 9.804 1.269 -2.008 1.00 0.00 N ATOM 1128 CD2 HIS A 73 11.711 2.454 -1.941 1.00 0.00 C ATOM 1129 CE1 HIS A 73 10.854 0.433 -2.045 1.00 0.00 C ATOM 1130 NE2 HIS A 73 12.012 1.114 -1.997 1.00 0.00 N ATOM 0 H HIS A 73 10.078 5.242 0.292 1.00 0.00 H new ATOM 0 HA HIS A 73 11.270 5.046 -2.412 1.00 0.00 H new ATOM 0 HB2 HIS A 73 8.811 3.785 -1.163 1.00 0.00 H new ATOM 0 HB3 HIS A 73 9.015 3.919 -2.898 1.00 0.00 H new ATOM 0 HD1 HIS A 73 8.815 1.019 -2.013 1.00 0.00 H new ATOM 0 HD2 HIS A 73 12.416 3.271 -1.890 1.00 0.00 H new ATOM 0 HE1 HIS A 73 10.778 -0.643 -2.105 1.00 0.00 H new ATOM 1138 N VAL A 74 9.581 7.357 -1.280 1.00 0.00 N ATOM 1139 CA VAL A 74 8.963 8.639 -1.595 1.00 0.00 C ATOM 1140 C VAL A 74 9.652 9.280 -2.799 1.00 0.00 C ATOM 1141 O VAL A 74 9.035 10.027 -3.557 1.00 0.00 O ATOM 1142 CB VAL A 74 9.067 9.555 -0.376 1.00 0.00 C ATOM 1143 CG1 VAL A 74 10.520 9.835 0.007 1.00 0.00 C ATOM 1144 CG2 VAL A 74 8.401 10.885 -0.679 1.00 0.00 C ATOM 0 H VAL A 74 9.974 7.304 -0.340 1.00 0.00 H new ATOM 0 HA VAL A 74 7.914 8.484 -1.846 1.00 0.00 H new ATOM 0 HB VAL A 74 8.575 9.045 0.452 1.00 0.00 H new ATOM 0 HG11 VAL A 74 10.547 10.490 0.878 1.00 0.00 H new ATOM 0 HG12 VAL A 74 11.021 8.896 0.243 1.00 0.00 H new ATOM 0 HG13 VAL A 74 11.029 10.319 -0.827 1.00 0.00 H new ATOM 0 HG21 VAL A 74 8.476 11.536 0.192 1.00 0.00 H new ATOM 0 HG22 VAL A 74 8.897 11.355 -1.528 1.00 0.00 H new ATOM 0 HG23 VAL A 74 7.351 10.720 -0.919 1.00 0.00 H new ATOM 1154 N ALA A 75 10.940 8.971 -2.959 1.00 0.00 N ATOM 1155 CA ALA A 75 11.769 9.455 -4.045 1.00 0.00 C ATOM 1156 C ALA A 75 11.146 9.103 -5.385 1.00 0.00 C ATOM 1157 O ALA A 75 11.120 9.896 -6.324 1.00 0.00 O ATOM 1158 CB ALA A 75 13.094 8.708 -3.964 1.00 0.00 C ATOM 0 H ALA A 75 11.441 8.360 -2.315 1.00 0.00 H new ATOM 0 HA ALA A 75 11.884 10.536 -3.963 1.00 0.00 H new ATOM 0 HB1 ALA A 75 13.750 9.043 -4.767 1.00 0.00 H new ATOM 0 HB2 ALA A 75 13.566 8.908 -3.002 1.00 0.00 H new ATOM 0 HB3 ALA A 75 12.915 7.638 -4.065 1.00 0.00 H new ATOM 1164 N ILE A 76 10.649 7.875 -5.429 1.00 0.00 N ATOM 1165 CA ILE A 76 10.102 7.240 -6.600 1.00 0.00 C ATOM 1166 C ILE A 76 8.654 7.643 -6.794 1.00 0.00 C ATOM 1167 O ILE A 76 8.197 7.826 -7.917 1.00 0.00 O ATOM 1168 CB ILE A 76 10.185 5.753 -6.322 1.00 0.00 C ATOM 1169 CG1 ILE A 76 11.649 5.348 -6.283 1.00 0.00 C ATOM 1170 CG2 ILE A 76 9.407 4.995 -7.373 1.00 0.00 C ATOM 1171 CD1 ILE A 76 12.192 5.000 -7.659 1.00 0.00 C ATOM 0 H ILE A 76 10.619 7.274 -4.606 1.00 0.00 H new ATOM 0 HA ILE A 76 10.643 7.525 -7.502 1.00 0.00 H new ATOM 0 HB ILE A 76 9.739 5.512 -5.357 1.00 0.00 H new ATOM 0 HG12 ILE A 76 12.237 6.162 -5.859 1.00 0.00 H new ATOM 0 HG13 ILE A 76 11.768 4.490 -5.621 1.00 0.00 H new ATOM 0 HG21 ILE A 76 9.468 3.926 -7.171 1.00 0.00 H new ATOM 0 HG22 ILE A 76 8.364 5.309 -7.350 1.00 0.00 H new ATOM 0 HG23 ILE A 76 9.827 5.203 -8.357 1.00 0.00 H new ATOM 0 HD11 ILE A 76 13.241 4.718 -7.575 1.00 0.00 H new ATOM 0 HD12 ILE A 76 11.624 4.167 -8.074 1.00 0.00 H new ATOM 0 HD13 ILE A 76 12.100 5.865 -8.316 1.00 0.00 H new ATOM 1183 N ARG A 77 7.936 7.785 -5.682 1.00 0.00 N ATOM 1184 CA ARG A 77 6.557 8.230 -5.696 1.00 0.00 C ATOM 1185 C ARG A 77 6.447 9.568 -6.416 1.00 0.00 C ATOM 1186 O ARG A 77 5.413 9.903 -6.987 1.00 0.00 O ATOM 1187 CB ARG A 77 6.112 8.350 -4.250 1.00 0.00 C ATOM 1188 CG ARG A 77 4.604 8.551 -4.166 1.00 0.00 C ATOM 1189 CD ARG A 77 4.348 9.178 -2.805 1.00 0.00 C ATOM 1190 NE ARG A 77 4.588 8.226 -1.714 1.00 0.00 N ATOM 1191 CZ ARG A 77 4.725 8.573 -0.433 1.00 0.00 C ATOM 1192 NH1 ARG A 77 4.632 9.844 -0.054 1.00 0.00 N ATOM 1193 NH2 ARG A 77 4.958 7.645 0.489 1.00 0.00 N ATOM 0 H ARG A 77 8.300 7.593 -4.749 1.00 0.00 H new ATOM 0 HA ARG A 77 5.920 7.523 -6.228 1.00 0.00 H new ATOM 0 HB2 ARG A 77 6.395 7.452 -3.701 1.00 0.00 H new ATOM 0 HB3 ARG A 77 6.623 9.188 -3.775 1.00 0.00 H new ATOM 0 HG2 ARG A 77 4.250 9.198 -4.968 1.00 0.00 H new ATOM 0 HG3 ARG A 77 4.076 7.602 -4.266 1.00 0.00 H new ATOM 0 HD2 ARG A 77 4.993 10.047 -2.678 1.00 0.00 H new ATOM 0 HD3 ARG A 77 3.319 9.535 -2.757 1.00 0.00 H new ATOM 0 HE ARG A 77 4.654 7.236 -1.950 1.00 0.00 H new ATOM 0 HH11 ARG A 77 4.453 10.571 -0.747 1.00 0.00 H new ATOM 0 HH12 ARG A 77 4.739 10.092 0.930 1.00 0.00 H new ATOM 0 HH21 ARG A 77 5.033 6.664 0.218 1.00 0.00 H new ATOM 0 HH22 ARG A 77 5.062 7.913 1.468 1.00 0.00 H new ATOM 1207 N SER A 78 7.542 10.323 -6.374 1.00 0.00 N ATOM 1208 CA SER A 78 7.661 11.619 -7.014 1.00 0.00 C ATOM 1209 C SER A 78 7.844 11.468 -8.524 1.00 0.00 C ATOM 1210 O SER A 78 7.475 12.359 -9.285 1.00 0.00 O ATOM 1211 CB SER A 78 8.899 12.303 -6.421 1.00 0.00 C ATOM 1212 OG SER A 78 8.972 13.650 -6.839 1.00 0.00 O ATOM 0 H SER A 78 8.388 10.039 -5.881 1.00 0.00 H new ATOM 0 HA SER A 78 6.757 12.204 -6.843 1.00 0.00 H new ATOM 0 HB2 SER A 78 8.861 12.256 -5.333 1.00 0.00 H new ATOM 0 HB3 SER A 78 9.798 11.771 -6.731 1.00 0.00 H new ATOM 0 HG SER A 78 9.767 14.071 -6.450 1.00 0.00 H new ATOM 1218 N LYS A 79 8.408 10.340 -8.965 1.00 0.00 N ATOM 1219 CA LYS A 79 8.669 10.088 -10.376 1.00 0.00 C ATOM 1220 C LYS A 79 7.457 9.448 -11.040 1.00 0.00 C ATOM 1221 O LYS A 79 7.144 9.750 -12.189 1.00 0.00 O ATOM 1222 CB LYS A 79 9.869 9.147 -10.478 1.00 0.00 C ATOM 1223 CG LYS A 79 11.099 9.804 -9.850 1.00 0.00 C ATOM 1224 CD LYS A 79 12.305 8.875 -9.959 1.00 0.00 C ATOM 1225 CE LYS A 79 13.504 9.601 -9.366 1.00 0.00 C ATOM 1226 NZ LYS A 79 14.742 8.832 -9.558 1.00 0.00 N ATOM 0 H LYS A 79 8.695 9.579 -8.350 1.00 0.00 H new ATOM 0 HA LYS A 79 8.876 11.030 -10.884 1.00 0.00 H new ATOM 0 HB2 LYS A 79 9.649 8.207 -9.972 1.00 0.00 H new ATOM 0 HB3 LYS A 79 10.067 8.908 -11.523 1.00 0.00 H new ATOM 0 HG2 LYS A 79 11.312 10.748 -10.351 1.00 0.00 H new ATOM 0 HG3 LYS A 79 10.902 10.036 -8.803 1.00 0.00 H new ATOM 0 HD2 LYS A 79 12.119 7.943 -9.425 1.00 0.00 H new ATOM 0 HD3 LYS A 79 12.493 8.613 -11.000 1.00 0.00 H new ATOM 0 HE2 LYS A 79 13.606 10.581 -9.833 1.00 0.00 H new ATOM 0 HE3 LYS A 79 13.340 9.770 -8.302 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 15.504 9.253 -8.988 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 14.589 7.848 -9.259 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 15.010 8.851 -10.563 1.00 0.00 H new ATOM 1240 N LEU A 80 6.770 8.569 -10.314 1.00 0.00 N ATOM 1241 CA LEU A 80 5.587 7.868 -10.794 1.00 0.00 C ATOM 1242 C LEU A 80 4.442 8.831 -11.100 1.00 0.00 C ATOM 1243 O LEU A 80 3.416 8.420 -11.625 1.00 0.00 O ATOM 1244 CB LEU A 80 5.167 6.895 -9.700 1.00 0.00 C ATOM 1245 CG LEU A 80 6.009 5.611 -9.623 1.00 0.00 C ATOM 1246 CD1 LEU A 80 7.383 5.646 -10.278 1.00 0.00 C ATOM 1247 CD2 LEU A 80 6.122 5.222 -8.155 1.00 0.00 C ATOM 0 H LEU A 80 7.027 8.321 -9.358 1.00 0.00 H new ATOM 0 HA LEU A 80 5.821 7.349 -11.724 1.00 0.00 H new ATOM 0 HB2 LEU A 80 5.220 7.406 -8.739 1.00 0.00 H new ATOM 0 HB3 LEU A 80 4.124 6.620 -9.858 1.00 0.00 H new ATOM 0 HG LEU A 80 5.480 4.868 -10.219 1.00 0.00 H new ATOM 0 HD11 LEU A 80 7.871 4.680 -10.152 1.00 0.00 H new ATOM 0 HD12 LEU A 80 7.274 5.861 -11.341 1.00 0.00 H new ATOM 0 HD13 LEU A 80 7.989 6.422 -9.811 1.00 0.00 H new ATOM 0 HD21 LEU A 80 6.715 4.312 -8.064 1.00 0.00 H new ATOM 0 HD22 LEU A 80 6.605 6.027 -7.601 1.00 0.00 H new ATOM 0 HD23 LEU A 80 5.126 5.048 -7.747 1.00 0.00 H new ATOM 1259 N GLN A 81 4.616 10.110 -10.772 1.00 0.00 N ATOM 1260 CA GLN A 81 3.705 11.203 -11.012 1.00 0.00 C ATOM 1261 C GLN A 81 4.196 12.189 -12.067 1.00 0.00 C ATOM 1262 O GLN A 81 3.445 13.065 -12.480 1.00 0.00 O ATOM 1263 CB GLN A 81 3.707 11.933 -9.679 1.00 0.00 C ATOM 1264 CG GLN A 81 2.581 11.511 -8.764 1.00 0.00 C ATOM 1265 CD GLN A 81 2.227 10.048 -8.865 1.00 0.00 C ATOM 1266 OE1 GLN A 81 3.104 9.202 -8.354 1.00 0.00 O flip ATOM 1267 NE2 GLN A 81 1.181 9.683 -9.396 1.00 0.00 N flip ATOM 0 H GLN A 81 5.463 10.421 -10.297 1.00 0.00 H new ATOM 0 HA GLN A 81 2.744 10.831 -11.366 1.00 0.00 H new ATOM 0 HB2 GLN A 81 4.659 11.757 -9.178 1.00 0.00 H new ATOM 0 HB3 GLN A 81 3.636 13.006 -9.860 1.00 0.00 H new ATOM 0 HG2 GLN A 81 2.858 11.737 -7.734 1.00 0.00 H new ATOM 0 HG3 GLN A 81 1.697 12.105 -8.994 1.00 0.00 H new ATOM 0 HE21 GLN A 81 0.534 10.374 -9.777 1.00 0.00 H new ATOM 0 HE22 GLN A 81 0.959 8.689 -9.456 1.00 0.00 H new ATOM 1276 N TYR A 82 5.446 12.061 -12.509 1.00 0.00 N ATOM 1277 CA TYR A 82 5.989 12.969 -13.509 1.00 0.00 C ATOM 1278 C TYR A 82 5.955 12.366 -14.904 1.00 0.00 C ATOM 1279 O TYR A 82 5.424 12.988 -15.824 1.00 0.00 O ATOM 1280 CB TYR A 82 7.428 13.310 -13.155 1.00 0.00 C ATOM 1281 CG TYR A 82 8.235 13.805 -14.338 1.00 0.00 C ATOM 1282 CD1 TYR A 82 8.179 15.149 -14.733 1.00 0.00 C ATOM 1283 CD2 TYR A 82 9.049 12.903 -15.032 1.00 0.00 C ATOM 1284 CE1 TYR A 82 8.986 15.599 -15.790 1.00 0.00 C ATOM 1285 CE2 TYR A 82 9.879 13.346 -16.068 1.00 0.00 C ATOM 1286 CZ TYR A 82 9.848 14.704 -16.456 1.00 0.00 C ATOM 1287 OH TYR A 82 10.651 15.143 -17.465 1.00 0.00 O ATOM 0 H TYR A 82 6.095 11.342 -12.191 1.00 0.00 H new ATOM 0 HA TYR A 82 5.369 13.865 -13.511 1.00 0.00 H new ATOM 0 HB2 TYR A 82 7.432 14.073 -12.376 1.00 0.00 H new ATOM 0 HB3 TYR A 82 7.912 12.426 -12.738 1.00 0.00 H new ATOM 0 HD1 TYR A 82 7.517 15.836 -14.226 1.00 0.00 H new ATOM 0 HD2 TYR A 82 9.037 11.856 -14.766 1.00 0.00 H new ATOM 0 HE1 TYR A 82 8.946 16.635 -16.094 1.00 0.00 H new ATOM 0 HE2 TYR A 82 10.540 12.653 -16.568 1.00 0.00 H new ATOM 0 HH TYR A 82 11.180 14.394 -17.811 1.00 0.00 H new ATOM 1297 N ARG A 83 6.508 11.162 -15.092 1.00 0.00 N ATOM 1298 CA ARG A 83 6.461 10.558 -16.415 1.00 0.00 C ATOM 1299 C ARG A 83 5.034 10.120 -16.698 1.00 0.00 C ATOM 1300 O ARG A 83 4.648 9.900 -17.843 1.00 0.00 O ATOM 1301 CB ARG A 83 7.400 9.369 -16.575 1.00 0.00 C ATOM 1302 CG ARG A 83 8.806 9.474 -15.999 1.00 0.00 C ATOM 1303 CD ARG A 83 8.804 9.197 -14.493 1.00 0.00 C ATOM 1304 NE ARG A 83 10.179 8.990 -14.028 1.00 0.00 N ATOM 1305 CZ ARG A 83 10.709 7.791 -13.775 1.00 0.00 C ATOM 1306 NH1 ARG A 83 9.981 6.689 -13.915 1.00 0.00 N ATOM 1307 NH2 ARG A 83 11.975 7.688 -13.379 1.00 0.00 N ATOM 0 H ARG A 83 6.974 10.610 -14.372 1.00 0.00 H new ATOM 0 HA ARG A 83 6.796 11.312 -17.128 1.00 0.00 H new ATOM 0 HB2 ARG A 83 6.919 8.503 -16.121 1.00 0.00 H new ATOM 0 HB3 ARG A 83 7.493 9.160 -17.641 1.00 0.00 H new ATOM 0 HG2 ARG A 83 9.463 8.764 -16.502 1.00 0.00 H new ATOM 0 HG3 ARG A 83 9.207 10.470 -16.189 1.00 0.00 H new ATOM 0 HD2 ARG A 83 8.351 10.033 -13.960 1.00 0.00 H new ATOM 0 HD3 ARG A 83 8.200 8.316 -14.276 1.00 0.00 H new ATOM 0 HE ARG A 83 10.767 9.812 -13.889 1.00 0.00 H new ATOM 0 HH11 ARG A 83 9.009 6.755 -14.218 1.00 0.00 H new ATOM 0 HH12 ARG A 83 10.394 5.777 -13.720 1.00 0.00 H new ATOM 0 HH21 ARG A 83 12.544 8.527 -13.268 1.00 0.00 H new ATOM 0 HH22 ARG A 83 12.376 6.770 -13.187 1.00 0.00 H new ATOM 1321 N LEU A 84 4.259 10.000 -15.620 1.00 0.00 N ATOM 1322 CA LEU A 84 2.853 9.663 -15.665 1.00 0.00 C ATOM 1323 C LEU A 84 2.045 10.857 -16.161 1.00 0.00 C ATOM 1324 O LEU A 84 0.881 10.721 -16.514 1.00 0.00 O ATOM 1325 CB LEU A 84 2.440 9.276 -14.250 1.00 0.00 C ATOM 1326 CG LEU A 84 0.955 8.951 -14.125 1.00 0.00 C ATOM 1327 CD1 LEU A 84 0.562 7.830 -15.095 1.00 0.00 C ATOM 1328 CD2 LEU A 84 0.674 8.563 -12.672 1.00 0.00 C ATOM 0 H LEU A 84 4.609 10.140 -14.672 1.00 0.00 H new ATOM 0 HA LEU A 84 2.668 8.837 -16.352 1.00 0.00 H new ATOM 0 HB2 LEU A 84 3.023 8.411 -13.932 1.00 0.00 H new ATOM 0 HB3 LEU A 84 2.685 10.093 -13.571 1.00 0.00 H new ATOM 0 HG LEU A 84 0.354 9.820 -14.390 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -0.501 7.614 -14.990 1.00 0.00 H new ATOM 0 HD12 LEU A 84 0.769 8.145 -16.118 1.00 0.00 H new ATOM 0 HD13 LEU A 84 1.139 6.933 -14.868 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -0.384 8.326 -12.557 1.00 0.00 H new ATOM 0 HD22 LEU A 84 1.273 7.692 -12.406 1.00 0.00 H new ATOM 0 HD23 LEU A 84 0.933 9.395 -12.017 1.00 0.00 H new ATOM 1340 N GLU A 85 2.676 12.028 -16.188 1.00 0.00 N ATOM 1341 CA GLU A 85 2.073 13.256 -16.668 1.00 0.00 C ATOM 1342 C GLU A 85 2.786 13.794 -17.904 1.00 0.00 C ATOM 1343 O GLU A 85 2.547 14.937 -18.301 1.00 0.00 O ATOM 1344 CB GLU A 85 2.055 14.265 -15.523 1.00 0.00 C ATOM 1345 CG GLU A 85 1.178 13.701 -14.409 1.00 0.00 C ATOM 1346 CD GLU A 85 0.846 14.741 -13.339 1.00 0.00 C ATOM 1347 OE1 GLU A 85 1.536 15.783 -13.291 1.00 0.00 O ATOM 1348 OE2 GLU A 85 -0.106 14.484 -12.566 1.00 0.00 O ATOM 0 H GLU A 85 3.638 12.146 -15.870 1.00 0.00 H new ATOM 0 HA GLU A 85 1.049 13.060 -16.986 1.00 0.00 H new ATOM 0 HB2 GLU A 85 3.066 14.444 -15.158 1.00 0.00 H new ATOM 0 HB3 GLU A 85 1.665 15.223 -15.866 1.00 0.00 H new ATOM 0 HG2 GLU A 85 0.252 13.319 -14.839 1.00 0.00 H new ATOM 0 HG3 GLU A 85 1.686 12.856 -13.944 1.00 0.00 H new ATOM 1355 N LEU A 86 3.658 12.986 -18.526 1.00 0.00 N ATOM 1356 CA LEU A 86 4.269 13.356 -19.793 1.00 0.00 C ATOM 1357 C LEU A 86 4.019 12.285 -20.853 1.00 0.00 C ATOM 1358 O LEU A 86 3.788 12.616 -22.015 1.00 0.00 O ATOM 1359 CB LEU A 86 5.761 13.623 -19.559 1.00 0.00 C ATOM 1360 CG LEU A 86 6.644 12.370 -19.629 1.00 0.00 C ATOM 1361 CD1 LEU A 86 7.088 12.121 -21.073 1.00 0.00 C ATOM 1362 CD2 LEU A 86 7.896 12.528 -18.765 1.00 0.00 C ATOM 0 H LEU A 86 3.949 12.077 -18.166 1.00 0.00 H new ATOM 0 HA LEU A 86 3.815 14.269 -20.178 1.00 0.00 H new ATOM 0 HB2 LEU A 86 6.110 14.342 -20.300 1.00 0.00 H new ATOM 0 HB3 LEU A 86 5.886 14.088 -18.581 1.00 0.00 H new ATOM 0 HG LEU A 86 6.053 11.531 -19.261 1.00 0.00 H new ATOM 0 HD11 LEU A 86 7.714 11.230 -21.113 1.00 0.00 H new ATOM 0 HD12 LEU A 86 6.211 11.976 -21.704 1.00 0.00 H new ATOM 0 HD13 LEU A 86 7.656 12.979 -21.432 1.00 0.00 H new ATOM 0 HD21 LEU A 86 8.502 11.625 -18.834 1.00 0.00 H new ATOM 0 HD22 LEU A 86 8.475 13.382 -19.117 1.00 0.00 H new ATOM 0 HD23 LEU A 86 7.604 12.690 -17.727 1.00 0.00 H new ATOM 1374 N ALA A 87 4.058 11.008 -20.465 1.00 0.00 N ATOM 1375 CA ALA A 87 3.849 9.881 -21.335 1.00 0.00 C ATOM 1376 C ALA A 87 2.444 9.941 -21.934 1.00 0.00 C ATOM 1377 O ALA A 87 2.311 10.030 -23.147 1.00 0.00 O ATOM 1378 CB ALA A 87 4.036 8.612 -20.497 1.00 0.00 C ATOM 0 H ALA A 87 4.244 10.736 -19.500 1.00 0.00 H new ATOM 0 HA ALA A 87 4.559 9.887 -22.162 1.00 0.00 H new ATOM 0 HB1 ALA A 87 3.884 7.735 -21.126 1.00 0.00 H new ATOM 0 HB2 ALA A 87 5.045 8.593 -20.085 1.00 0.00 H new ATOM 0 HB3 ALA A 87 3.312 8.604 -19.683 1.00 0.00 H new ATOM 1384 N GLN A 88 1.404 9.894 -21.091 1.00 0.00 N ATOM 1385 CA GLN A 88 0.005 9.935 -21.518 1.00 0.00 C ATOM 1386 C GLN A 88 -0.348 11.212 -22.271 1.00 0.00 C ATOM 1387 O GLN A 88 -1.359 11.265 -22.965 1.00 0.00 O ATOM 1388 CB GLN A 88 -0.911 9.774 -20.325 1.00 0.00 C ATOM 1389 CG GLN A 88 -0.505 10.695 -19.187 1.00 0.00 C ATOM 1390 CD GLN A 88 -1.533 10.626 -18.062 1.00 0.00 C ATOM 1391 OE1 GLN A 88 -2.335 11.539 -17.882 1.00 0.00 O ATOM 1392 NE2 GLN A 88 -1.516 9.538 -17.300 1.00 0.00 N ATOM 0 H GLN A 88 1.516 9.825 -20.079 1.00 0.00 H new ATOM 0 HA GLN A 88 -0.135 9.105 -22.210 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -1.938 9.989 -20.621 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -0.888 8.739 -19.984 1.00 0.00 H new ATOM 0 HG2 GLN A 88 0.477 10.409 -18.810 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -0.421 11.719 -19.550 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -0.835 8.800 -17.480 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -2.184 9.440 -16.535 1.00 0.00 H new ATOM 1401 N GLY A 89 0.496 12.233 -22.128 1.00 0.00 N ATOM 1402 CA GLY A 89 0.330 13.497 -22.820 1.00 0.00 C ATOM 1403 C GLY A 89 1.169 13.518 -24.091 1.00 0.00 C ATOM 1404 O GLY A 89 1.323 14.567 -24.717 1.00 0.00 O ATOM 0 H GLY A 89 1.317 12.200 -21.524 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -0.721 13.649 -23.067 1.00 0.00 H new ATOM 0 HA3 GLY A 89 0.626 14.318 -22.167 1.00 0.00 H new ATOM 1408 N ALA A 90 1.712 12.358 -24.471 1.00 0.00 N ATOM 1409 CA ALA A 90 2.590 12.216 -25.621 1.00 0.00 C ATOM 1410 C ALA A 90 2.351 10.924 -26.388 1.00 0.00 C ATOM 1411 O ALA A 90 2.774 10.813 -27.539 1.00 0.00 O ATOM 1412 CB ALA A 90 4.014 12.149 -25.101 1.00 0.00 C ATOM 0 H ALA A 90 1.547 11.481 -23.976 1.00 0.00 H new ATOM 0 HA ALA A 90 2.402 13.058 -26.287 1.00 0.00 H new ATOM 0 HB1 ALA A 90 4.703 12.042 -25.939 1.00 0.00 H new ATOM 0 HB2 ALA A 90 4.246 13.064 -24.556 1.00 0.00 H new ATOM 0 HB3 ALA A 90 4.118 11.293 -24.434 1.00 0.00 H new ATOM 1833 N VAL B 708 17.363 7.540 -12.828 1.00 0.00 N ATOM 1834 CA VAL B 708 16.669 6.261 -12.887 1.00 0.00 C ATOM 1835 C VAL B 708 15.973 5.809 -11.607 1.00 0.00 C ATOM 1836 O VAL B 708 14.825 5.378 -11.686 1.00 0.00 O ATOM 1837 CB VAL B 708 17.639 5.181 -13.365 1.00 0.00 C ATOM 1838 CG1 VAL B 708 18.407 5.671 -14.590 1.00 0.00 C ATOM 1839 CG2 VAL B 708 18.661 4.746 -12.317 1.00 0.00 C ATOM 0 HA VAL B 708 15.853 6.416 -13.593 1.00 0.00 H new ATOM 0 HB VAL B 708 17.014 4.318 -13.594 1.00 0.00 H new ATOM 0 HG11 VAL B 708 19.095 4.894 -14.923 1.00 0.00 H new ATOM 0 HG12 VAL B 708 17.705 5.901 -15.391 1.00 0.00 H new ATOM 0 HG13 VAL B 708 18.970 6.568 -14.332 1.00 0.00 H new ATOM 0 HG21 VAL B 708 19.310 3.978 -12.738 1.00 0.00 H new ATOM 0 HG22 VAL B 708 19.262 5.604 -12.017 1.00 0.00 H new ATOM 0 HG23 VAL B 708 18.142 4.345 -11.447 1.00 0.00 H new ATOM 1849 N ASP B 709 16.626 5.896 -10.442 1.00 0.00 N ATOM 1850 CA ASP B 709 16.064 5.346 -9.211 1.00 0.00 C ATOM 1851 C ASP B 709 15.968 6.417 -8.123 1.00 0.00 C ATOM 1852 O ASP B 709 17.030 6.876 -7.653 1.00 0.00 O ATOM 1853 CB ASP B 709 16.847 4.125 -8.712 1.00 0.00 C ATOM 1854 CG ASP B 709 18.316 4.412 -8.381 1.00 0.00 C ATOM 1855 OD1 ASP B 709 18.991 5.090 -9.182 1.00 0.00 O ATOM 1856 OD2 ASP B 709 18.751 3.935 -7.309 1.00 0.00 O ATOM 1857 OXT ASP B 709 14.820 6.769 -7.775 1.00 0.00 O ATOM 0 H ASP B 709 17.538 6.340 -10.330 1.00 0.00 H new ATOM 0 HA ASP B 709 15.055 5.006 -9.446 1.00 0.00 H new ATOM 0 HB2 ASP B 709 16.356 3.732 -7.822 1.00 0.00 H new ATOM 0 HB3 ASP B 709 16.803 3.344 -9.471 1.00 0.00 H new