USER MOD reduce.3.24.130724 H: found=0, std=0, add=690, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 688 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 46 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 49 THR OG1 : rot 180:sc= -0.0702 USER MOD Set 2.1: A 35 ASN :FLIP amide:sc= 0 X(o=-0.057,f=0) USER MOD Set 2.2: A 42 GLN :FLIP amide:sc= 0 X(o=-0.18,f=0) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 25:sc= 0.669 USER MOD Single : A 3 SER OG : rot 180:sc= -0.0908 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 16 HIS :FLIP no HD1:sc= -4.1! C(o=-5.1!,f=-4.1!) USER MOD Single : A 22 GLN : amide:sc= -0.0267 K(o=-0.027,f=-1.5) USER MOD Single : A 32 GLN : amide:sc= -0.604 K(o=-0.6,f=-2.3!) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 47 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 THR OG1 : rot -70:sc= 0.637 USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=-0.2) USER MOD Single : A 61 SER OG : rot 180:sc= -0.177 USER MOD Single : A 66 SER OG : rot -88:sc= 0.0019 USER MOD Single : A 69 TYR OH : rot -29:sc= 1.52 USER MOD Single : A 73 THR OG1 : rot 13:sc= -0.873! USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot 3:sc= 0.32 USER MOD Single : A 77 SER OG : rot -39:sc= 0.0181 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 81 THR OG1 : rot 180:sc= -0.117 USER MOD Single : A 82 THR OG1 : rot 102:sc= 1.23 USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 87 ASN : amide:sc= 0 X(o=0,f=-0.025) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 15.793 17.418 -13.848 1.00 0.00 N ATOM 2 CA GLY A 1 16.002 18.766 -13.353 1.00 0.00 C ATOM 3 C GLY A 1 17.463 19.066 -13.087 1.00 0.00 C ATOM 4 O GLY A 1 18.098 19.808 -13.838 1.00 0.00 O ATOM 0 H1 GLY A 1 14.778 17.263 -14.014 1.00 0.00 H new ATOM 0 H2 GLY A 1 16.313 17.291 -14.740 1.00 0.00 H new ATOM 0 H3 GLY A 1 16.138 16.733 -13.146 1.00 0.00 H new ATOM 0 HA2 GLY A 1 15.614 19.480 -14.079 1.00 0.00 H new ATOM 0 HA3 GLY A 1 15.433 18.904 -12.434 1.00 0.00 H new ATOM 8 N SER A 2 17.999 18.491 -12.015 1.00 0.00 N ATOM 9 CA SER A 2 19.394 18.706 -11.649 1.00 0.00 C ATOM 10 C SER A 2 20.088 17.380 -11.352 1.00 0.00 C ATOM 11 O SER A 2 19.680 16.640 -10.456 1.00 0.00 O ATOM 12 CB SER A 2 19.488 19.627 -10.432 1.00 0.00 C ATOM 13 OG SER A 2 19.062 18.963 -9.255 1.00 0.00 O ATOM 0 H SER A 2 17.488 17.873 -11.385 1.00 0.00 H new ATOM 0 HA SER A 2 19.897 19.179 -12.493 1.00 0.00 H new ATOM 0 HB2 SER A 2 20.516 19.968 -10.309 1.00 0.00 H new ATOM 0 HB3 SER A 2 18.875 20.514 -10.595 1.00 0.00 H new ATOM 0 HG SER A 2 19.180 17.996 -9.364 1.00 0.00 H new ATOM 19 N SER A 3 21.138 17.086 -12.111 1.00 0.00 N ATOM 20 CA SER A 3 21.888 15.848 -11.933 1.00 0.00 C ATOM 21 C SER A 3 22.220 15.621 -10.461 1.00 0.00 C ATOM 22 O SER A 3 22.256 16.561 -9.669 1.00 0.00 O ATOM 23 CB SER A 3 23.175 15.882 -12.758 1.00 0.00 C ATOM 24 OG SER A 3 24.055 14.839 -12.376 1.00 0.00 O ATOM 0 H SER A 3 21.489 17.688 -12.856 1.00 0.00 H new ATOM 0 HA SER A 3 21.266 15.023 -12.279 1.00 0.00 H new ATOM 0 HB2 SER A 3 22.934 15.789 -13.817 1.00 0.00 H new ATOM 0 HB3 SER A 3 23.669 16.845 -12.627 1.00 0.00 H new ATOM 0 HG SER A 3 24.869 14.882 -12.920 1.00 0.00 H new ATOM 30 N GLY A 4 22.463 14.364 -10.102 1.00 0.00 N ATOM 31 CA GLY A 4 22.789 14.034 -8.727 1.00 0.00 C ATOM 32 C GLY A 4 21.913 12.928 -8.172 1.00 0.00 C ATOM 33 O GLY A 4 21.142 12.311 -8.907 1.00 0.00 O ATOM 0 H GLY A 4 22.440 13.568 -10.739 1.00 0.00 H new ATOM 0 HA2 GLY A 4 23.834 13.730 -8.668 1.00 0.00 H new ATOM 0 HA3 GLY A 4 22.681 14.924 -8.108 1.00 0.00 H new ATOM 37 N SER A 5 22.033 12.676 -6.873 1.00 0.00 N ATOM 38 CA SER A 5 21.250 11.633 -6.221 1.00 0.00 C ATOM 39 C SER A 5 20.022 12.224 -5.535 1.00 0.00 C ATOM 40 O SER A 5 20.041 13.369 -5.082 1.00 0.00 O ATOM 41 CB SER A 5 22.108 10.885 -5.199 1.00 0.00 C ATOM 42 OG SER A 5 22.513 11.743 -4.147 1.00 0.00 O ATOM 0 H SER A 5 22.665 13.180 -6.251 1.00 0.00 H new ATOM 0 HA SER A 5 20.916 10.933 -6.986 1.00 0.00 H new ATOM 0 HB2 SER A 5 21.544 10.046 -4.791 1.00 0.00 H new ATOM 0 HB3 SER A 5 22.987 10.469 -5.692 1.00 0.00 H new ATOM 0 HG SER A 5 23.059 11.240 -3.507 1.00 0.00 H new ATOM 48 N SER A 6 18.955 11.435 -5.463 1.00 0.00 N ATOM 49 CA SER A 6 17.716 11.880 -4.836 1.00 0.00 C ATOM 50 C SER A 6 17.582 11.306 -3.429 1.00 0.00 C ATOM 51 O SER A 6 17.499 12.045 -2.449 1.00 0.00 O ATOM 52 CB SER A 6 16.512 11.466 -5.685 1.00 0.00 C ATOM 53 OG SER A 6 16.622 11.969 -7.005 1.00 0.00 O ATOM 0 H SER A 6 18.924 10.484 -5.831 1.00 0.00 H new ATOM 0 HA SER A 6 17.744 12.967 -4.765 1.00 0.00 H new ATOM 0 HB2 SER A 6 16.438 10.379 -5.712 1.00 0.00 H new ATOM 0 HB3 SER A 6 15.595 11.836 -5.227 1.00 0.00 H new ATOM 0 HG SER A 6 15.842 11.689 -7.528 1.00 0.00 H new ATOM 59 N GLY A 7 17.561 9.979 -3.337 1.00 0.00 N ATOM 60 CA GLY A 7 17.437 9.327 -2.047 1.00 0.00 C ATOM 61 C GLY A 7 16.072 9.535 -1.421 1.00 0.00 C ATOM 62 O GLY A 7 15.567 10.657 -1.375 1.00 0.00 O ATOM 0 H GLY A 7 17.628 9.345 -4.133 1.00 0.00 H new ATOM 0 HA2 GLY A 7 17.621 8.259 -2.164 1.00 0.00 H new ATOM 0 HA3 GLY A 7 18.204 9.711 -1.374 1.00 0.00 H new ATOM 66 N VAL A 8 15.472 8.451 -0.939 1.00 0.00 N ATOM 67 CA VAL A 8 14.157 8.520 -0.313 1.00 0.00 C ATOM 68 C VAL A 8 14.067 7.576 0.881 1.00 0.00 C ATOM 69 O VAL A 8 14.956 6.755 1.104 1.00 0.00 O ATOM 70 CB VAL A 8 13.040 8.172 -1.314 1.00 0.00 C ATOM 71 CG1 VAL A 8 12.900 9.268 -2.360 1.00 0.00 C ATOM 72 CG2 VAL A 8 13.314 6.828 -1.971 1.00 0.00 C ATOM 0 H VAL A 8 15.876 7.515 -0.970 1.00 0.00 H new ATOM 0 HA VAL A 8 14.022 9.546 0.028 1.00 0.00 H new ATOM 0 HB VAL A 8 12.098 8.099 -0.771 1.00 0.00 H new ATOM 0 HG11 VAL A 8 12.106 9.005 -3.059 1.00 0.00 H new ATOM 0 HG12 VAL A 8 12.654 10.210 -1.869 1.00 0.00 H new ATOM 0 HG13 VAL A 8 13.839 9.376 -2.902 1.00 0.00 H new ATOM 0 HG21 VAL A 8 12.515 6.598 -2.675 1.00 0.00 H new ATOM 0 HG22 VAL A 8 14.265 6.870 -2.502 1.00 0.00 H new ATOM 0 HG23 VAL A 8 13.359 6.052 -1.207 1.00 0.00 H new ATOM 82 N GLU A 9 12.986 7.699 1.645 1.00 0.00 N ATOM 83 CA GLU A 9 12.780 6.856 2.817 1.00 0.00 C ATOM 84 C GLU A 9 11.845 5.694 2.494 1.00 0.00 C ATOM 85 O GLU A 9 10.655 5.890 2.249 1.00 0.00 O ATOM 86 CB GLU A 9 12.207 7.680 3.972 1.00 0.00 C ATOM 87 CG GLU A 9 10.860 8.310 3.660 1.00 0.00 C ATOM 88 CD GLU A 9 10.639 9.614 4.401 1.00 0.00 C ATOM 89 OE1 GLU A 9 11.373 10.586 4.124 1.00 0.00 O ATOM 90 OE2 GLU A 9 9.732 9.663 5.258 1.00 0.00 O ATOM 0 H GLU A 9 12.240 8.373 1.474 1.00 0.00 H new ATOM 0 HA GLU A 9 13.747 6.450 3.115 1.00 0.00 H new ATOM 0 HB2 GLU A 9 12.105 7.040 4.848 1.00 0.00 H new ATOM 0 HB3 GLU A 9 12.915 8.467 4.232 1.00 0.00 H new ATOM 0 HG2 GLU A 9 10.787 8.489 2.587 1.00 0.00 H new ATOM 0 HG3 GLU A 9 10.067 7.610 3.921 1.00 0.00 H new ATOM 97 N VAL A 10 12.393 4.483 2.495 1.00 0.00 N ATOM 98 CA VAL A 10 11.610 3.289 2.203 1.00 0.00 C ATOM 99 C VAL A 10 11.386 2.457 3.461 1.00 0.00 C ATOM 100 O VAL A 10 12.227 1.640 3.834 1.00 0.00 O ATOM 101 CB VAL A 10 12.297 2.414 1.138 1.00 0.00 C ATOM 102 CG1 VAL A 10 11.507 1.134 0.908 1.00 0.00 C ATOM 103 CG2 VAL A 10 12.463 3.188 -0.161 1.00 0.00 C ATOM 0 H VAL A 10 13.377 4.303 2.695 1.00 0.00 H new ATOM 0 HA VAL A 10 10.648 3.628 1.819 1.00 0.00 H new ATOM 0 HB VAL A 10 13.288 2.141 1.501 1.00 0.00 H new ATOM 0 HG11 VAL A 10 12.007 0.528 0.152 1.00 0.00 H new ATOM 0 HG12 VAL A 10 11.445 0.573 1.840 1.00 0.00 H new ATOM 0 HG13 VAL A 10 10.502 1.383 0.566 1.00 0.00 H new ATOM 0 HG21 VAL A 10 12.950 2.555 -0.902 1.00 0.00 H new ATOM 0 HG22 VAL A 10 11.484 3.492 -0.531 1.00 0.00 H new ATOM 0 HG23 VAL A 10 13.074 4.073 0.018 1.00 0.00 H new ATOM 113 N GLU A 11 10.245 2.671 4.110 1.00 0.00 N ATOM 114 CA GLU A 11 9.911 1.940 5.327 1.00 0.00 C ATOM 115 C GLU A 11 9.822 0.441 5.054 1.00 0.00 C ATOM 116 O GLU A 11 8.965 -0.013 4.297 1.00 0.00 O ATOM 117 CB GLU A 11 8.586 2.444 5.903 1.00 0.00 C ATOM 118 CG GLU A 11 8.493 2.319 7.414 1.00 0.00 C ATOM 119 CD GLU A 11 7.390 3.177 8.004 1.00 0.00 C ATOM 120 OE1 GLU A 11 6.283 3.198 7.428 1.00 0.00 O ATOM 121 OE2 GLU A 11 7.636 3.827 9.042 1.00 0.00 O ATOM 0 H GLU A 11 9.538 3.344 3.814 1.00 0.00 H new ATOM 0 HA GLU A 11 10.705 2.113 6.054 1.00 0.00 H new ATOM 0 HB2 GLU A 11 8.453 3.489 5.624 1.00 0.00 H new ATOM 0 HB3 GLU A 11 7.767 1.886 5.450 1.00 0.00 H new ATOM 0 HG2 GLU A 11 8.318 1.276 7.678 1.00 0.00 H new ATOM 0 HG3 GLU A 11 9.447 2.604 7.858 1.00 0.00 H new ATOM 128 N SER A 12 10.715 -0.321 5.678 1.00 0.00 N ATOM 129 CA SER A 12 10.742 -1.768 5.500 1.00 0.00 C ATOM 130 C SER A 12 9.780 -2.452 6.467 1.00 0.00 C ATOM 131 O SER A 12 9.584 -1.994 7.593 1.00 0.00 O ATOM 132 CB SER A 12 12.160 -2.303 5.709 1.00 0.00 C ATOM 133 OG SER A 12 12.136 -3.633 6.197 1.00 0.00 O ATOM 0 H SER A 12 11.429 0.040 6.311 1.00 0.00 H new ATOM 0 HA SER A 12 10.425 -1.990 4.481 1.00 0.00 H new ATOM 0 HB2 SER A 12 12.708 -2.268 4.767 1.00 0.00 H new ATOM 0 HB3 SER A 12 12.693 -1.664 6.412 1.00 0.00 H new ATOM 0 HG SER A 12 13.054 -3.953 6.321 1.00 0.00 H new ATOM 139 N PHE A 13 9.183 -3.551 6.020 1.00 0.00 N ATOM 140 CA PHE A 13 8.240 -4.299 6.844 1.00 0.00 C ATOM 141 C PHE A 13 8.395 -5.800 6.621 1.00 0.00 C ATOM 142 O PHE A 13 8.941 -6.236 5.606 1.00 0.00 O ATOM 143 CB PHE A 13 6.805 -3.871 6.531 1.00 0.00 C ATOM 144 CG PHE A 13 6.395 -2.600 7.219 1.00 0.00 C ATOM 145 CD1 PHE A 13 6.596 -1.371 6.611 1.00 0.00 C ATOM 146 CD2 PHE A 13 5.809 -2.635 8.474 1.00 0.00 C ATOM 147 CE1 PHE A 13 6.220 -0.201 7.243 1.00 0.00 C ATOM 148 CE2 PHE A 13 5.431 -1.468 9.111 1.00 0.00 C ATOM 149 CZ PHE A 13 5.636 -0.249 8.494 1.00 0.00 C ATOM 0 H PHE A 13 9.335 -3.944 5.091 1.00 0.00 H new ATOM 0 HA PHE A 13 8.457 -4.080 7.890 1.00 0.00 H new ATOM 0 HB2 PHE A 13 6.700 -3.742 5.454 1.00 0.00 H new ATOM 0 HB3 PHE A 13 6.124 -4.670 6.825 1.00 0.00 H new ATOM 0 HD1 PHE A 13 7.051 -1.327 5.633 1.00 0.00 H new ATOM 0 HD2 PHE A 13 5.646 -3.585 8.960 1.00 0.00 H new ATOM 0 HE1 PHE A 13 6.383 0.751 6.759 1.00 0.00 H new ATOM 0 HE2 PHE A 13 4.976 -1.509 10.090 1.00 0.00 H new ATOM 0 HZ PHE A 13 5.340 0.664 8.989 1.00 0.00 H new ATOM 159 N LEU A 14 7.912 -6.587 7.576 1.00 0.00 N ATOM 160 CA LEU A 14 7.996 -8.041 7.486 1.00 0.00 C ATOM 161 C LEU A 14 6.825 -8.700 8.207 1.00 0.00 C ATOM 162 O LEU A 14 6.546 -8.396 9.367 1.00 0.00 O ATOM 163 CB LEU A 14 9.318 -8.533 8.079 1.00 0.00 C ATOM 164 CG LEU A 14 9.630 -10.016 7.883 1.00 0.00 C ATOM 165 CD1 LEU A 14 8.567 -10.878 8.545 1.00 0.00 C ATOM 166 CD2 LEU A 14 9.741 -10.347 6.401 1.00 0.00 C ATOM 0 H LEU A 14 7.458 -6.243 8.422 1.00 0.00 H new ATOM 0 HA LEU A 14 7.952 -8.318 6.433 1.00 0.00 H new ATOM 0 HB2 LEU A 14 10.129 -7.951 7.641 1.00 0.00 H new ATOM 0 HB3 LEU A 14 9.315 -8.321 9.148 1.00 0.00 H new ATOM 0 HG LEU A 14 10.588 -10.231 8.356 1.00 0.00 H new ATOM 0 HD11 LEU A 14 8.807 -11.931 8.395 1.00 0.00 H new ATOM 0 HD12 LEU A 14 8.536 -10.662 9.613 1.00 0.00 H new ATOM 0 HD13 LEU A 14 7.595 -10.660 8.103 1.00 0.00 H new ATOM 0 HD21 LEU A 14 9.964 -11.407 6.281 1.00 0.00 H new ATOM 0 HD22 LEU A 14 8.798 -10.115 5.905 1.00 0.00 H new ATOM 0 HD23 LEU A 14 10.541 -9.756 5.955 1.00 0.00 H new ATOM 178 N VAL A 15 6.144 -9.606 7.513 1.00 0.00 N ATOM 179 CA VAL A 15 5.004 -10.311 8.089 1.00 0.00 C ATOM 180 C VAL A 15 4.874 -11.714 7.505 1.00 0.00 C ATOM 181 O VAL A 15 5.722 -12.155 6.728 1.00 0.00 O ATOM 182 CB VAL A 15 3.690 -9.544 7.850 1.00 0.00 C ATOM 183 CG1 VAL A 15 3.740 -8.179 8.520 1.00 0.00 C ATOM 184 CG2 VAL A 15 3.417 -9.407 6.360 1.00 0.00 C ATOM 0 H VAL A 15 6.361 -9.869 6.552 1.00 0.00 H new ATOM 0 HA VAL A 15 5.185 -10.382 9.162 1.00 0.00 H new ATOM 0 HB VAL A 15 2.872 -10.111 8.295 1.00 0.00 H new ATOM 0 HG11 VAL A 15 2.803 -7.651 8.341 1.00 0.00 H new ATOM 0 HG12 VAL A 15 3.886 -8.305 9.593 1.00 0.00 H new ATOM 0 HG13 VAL A 15 4.567 -7.601 8.107 1.00 0.00 H new ATOM 0 HG21 VAL A 15 2.485 -8.863 6.209 1.00 0.00 H new ATOM 0 HG22 VAL A 15 4.235 -8.863 5.889 1.00 0.00 H new ATOM 0 HG23 VAL A 15 3.335 -10.398 5.913 1.00 0.00 H new ATOM 194 N HIS A 16 3.807 -12.410 7.883 1.00 0.00 N ATOM 195 CA HIS A 16 3.565 -13.763 7.396 1.00 0.00 C ATOM 196 C HIS A 16 2.124 -13.918 6.918 1.00 0.00 C ATOM 197 O HIS A 16 1.280 -13.046 7.121 1.00 0.00 O ATOM 198 CB HIS A 16 3.863 -14.784 8.494 1.00 0.00 C ATOM 199 CG HIS A 16 2.638 -15.452 9.040 1.00 0.00 C ATOM 200 ND1 HIS A 16 1.437 -14.941 9.400 1.00 0.00 N flip ATOM 201 CD2 HIS A 16 2.561 -16.809 9.273 1.00 0.00 C flip ATOM 202 CE1 HIS A 16 0.665 -15.988 9.839 1.00 0.00 C flip ATOM 203 NE2 HIS A 16 1.366 -17.104 9.751 1.00 0.00 N flip ATOM 0 H HIS A 16 3.096 -12.059 8.525 1.00 0.00 H new ATOM 0 HA HIS A 16 4.231 -13.944 6.552 1.00 0.00 H new ATOM 0 HB2 HIS A 16 4.536 -15.545 8.098 1.00 0.00 H new ATOM 0 HB3 HIS A 16 4.389 -14.286 9.309 1.00 0.00 H new ATOM 0 HD2 HIS A 16 3.354 -17.519 9.093 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -0.351 -15.912 10.198 1.00 0.00 H new ATOM 0 HE2 HIS A 16 1.040 -18.035 10.009 1.00 0.00 H new ATOM 212 N PRO A 17 1.836 -15.055 6.267 1.00 0.00 N ATOM 213 CA PRO A 17 0.498 -15.351 5.746 1.00 0.00 C ATOM 214 C PRO A 17 -0.511 -15.617 6.858 1.00 0.00 C ATOM 215 O PRO A 17 -0.621 -16.737 7.355 1.00 0.00 O ATOM 216 CB PRO A 17 0.715 -16.613 4.908 1.00 0.00 C ATOM 217 CG PRO A 17 1.918 -17.260 5.502 1.00 0.00 C ATOM 218 CD PRO A 17 2.793 -16.138 5.989 1.00 0.00 C ATOM 0 HA PRO A 17 0.086 -14.514 5.182 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -0.152 -17.272 4.953 1.00 0.00 H new ATOM 0 HB3 PRO A 17 0.875 -16.368 3.858 1.00 0.00 H new ATOM 0 HG2 PRO A 17 1.640 -17.922 6.322 1.00 0.00 H new ATOM 0 HG3 PRO A 17 2.439 -17.869 4.763 1.00 0.00 H new ATOM 0 HD2 PRO A 17 3.350 -16.421 6.882 1.00 0.00 H new ATOM 0 HD3 PRO A 17 3.525 -15.844 5.237 1.00 0.00 H new ATOM 226 N GLY A 18 -1.247 -14.579 7.244 1.00 0.00 N ATOM 227 CA GLY A 18 -2.238 -14.722 8.294 1.00 0.00 C ATOM 228 C GLY A 18 -2.154 -13.614 9.325 1.00 0.00 C ATOM 229 O GLY A 18 -3.011 -13.507 10.203 1.00 0.00 O ATOM 0 H GLY A 18 -1.174 -13.642 6.848 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -3.234 -14.727 7.851 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -2.104 -15.684 8.788 1.00 0.00 H new ATOM 233 N ASP A 19 -1.118 -12.789 9.222 1.00 0.00 N ATOM 234 CA ASP A 19 -0.924 -11.684 10.153 1.00 0.00 C ATOM 235 C ASP A 19 -1.696 -10.449 9.699 1.00 0.00 C ATOM 236 O ASP A 19 -2.437 -10.493 8.716 1.00 0.00 O ATOM 237 CB ASP A 19 0.563 -11.353 10.282 1.00 0.00 C ATOM 238 CG ASP A 19 1.270 -12.243 11.285 1.00 0.00 C ATOM 239 OD1 ASP A 19 0.697 -13.288 11.659 1.00 0.00 O ATOM 240 OD2 ASP A 19 2.397 -11.896 11.695 1.00 0.00 O ATOM 0 H ASP A 19 -0.399 -12.865 8.502 1.00 0.00 H new ATOM 0 HA ASP A 19 -1.305 -11.991 11.127 1.00 0.00 H new ATOM 0 HB2 ASP A 19 1.041 -11.457 9.308 1.00 0.00 H new ATOM 0 HB3 ASP A 19 0.675 -10.311 10.582 1.00 0.00 H new ATOM 245 N LEU A 20 -1.518 -9.348 10.421 1.00 0.00 N ATOM 246 CA LEU A 20 -2.198 -8.100 10.093 1.00 0.00 C ATOM 247 C LEU A 20 -1.211 -7.066 9.560 1.00 0.00 C ATOM 248 O LEU A 20 -0.396 -6.525 10.309 1.00 0.00 O ATOM 249 CB LEU A 20 -2.916 -7.548 11.326 1.00 0.00 C ATOM 250 CG LEU A 20 -3.761 -6.293 11.105 1.00 0.00 C ATOM 251 CD1 LEU A 20 -4.885 -6.572 10.120 1.00 0.00 C ATOM 252 CD2 LEU A 20 -4.321 -5.788 12.427 1.00 0.00 C ATOM 0 H LEU A 20 -0.909 -9.294 11.237 1.00 0.00 H new ATOM 0 HA LEU A 20 -2.933 -8.309 9.315 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -3.561 -8.330 11.727 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -2.169 -7.329 12.089 1.00 0.00 H new ATOM 0 HG LEU A 20 -3.121 -5.517 10.684 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -5.475 -5.667 9.976 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -4.463 -6.886 9.165 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -5.524 -7.363 10.512 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -4.920 -4.894 12.251 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -4.945 -6.560 12.876 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -3.500 -5.547 13.102 1.00 0.00 H new ATOM 264 N LEU A 21 -1.291 -6.793 8.262 1.00 0.00 N ATOM 265 CA LEU A 21 -0.407 -5.822 7.628 1.00 0.00 C ATOM 266 C LEU A 21 -0.926 -4.401 7.829 1.00 0.00 C ATOM 267 O LEU A 21 -1.943 -4.015 7.253 1.00 0.00 O ATOM 268 CB LEU A 21 -0.274 -6.122 6.134 1.00 0.00 C ATOM 269 CG LEU A 21 0.665 -5.208 5.347 1.00 0.00 C ATOM 270 CD1 LEU A 21 2.081 -5.299 5.894 1.00 0.00 C ATOM 271 CD2 LEU A 21 0.639 -5.564 3.867 1.00 0.00 C ATOM 0 H LEU A 21 -1.960 -7.231 7.628 1.00 0.00 H new ATOM 0 HA LEU A 21 0.574 -5.901 8.096 1.00 0.00 H new ATOM 0 HB2 LEU A 21 0.071 -7.150 6.020 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -1.265 -6.067 5.683 1.00 0.00 H new ATOM 0 HG LEU A 21 0.320 -4.180 5.459 1.00 0.00 H new ATOM 0 HD11 LEU A 21 2.735 -4.642 5.321 1.00 0.00 H new ATOM 0 HD12 LEU A 21 2.087 -4.995 6.941 1.00 0.00 H new ATOM 0 HD13 LEU A 21 2.437 -6.326 5.813 1.00 0.00 H new ATOM 0 HD21 LEU A 21 1.313 -4.903 3.322 1.00 0.00 H new ATOM 0 HD22 LEU A 21 0.959 -6.598 3.736 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -0.374 -5.446 3.482 1.00 0.00 H new ATOM 283 N GLN A 22 -0.218 -3.629 8.647 1.00 0.00 N ATOM 284 CA GLN A 22 -0.607 -2.250 8.921 1.00 0.00 C ATOM 285 C GLN A 22 0.476 -1.278 8.465 1.00 0.00 C ATOM 286 O GLN A 22 1.637 -1.395 8.860 1.00 0.00 O ATOM 287 CB GLN A 22 -0.881 -2.063 10.415 1.00 0.00 C ATOM 288 CG GLN A 22 -2.314 -2.376 10.814 1.00 0.00 C ATOM 289 CD GLN A 22 -2.670 -1.832 12.184 1.00 0.00 C ATOM 290 OE1 GLN A 22 -1.870 -1.143 12.818 1.00 0.00 O ATOM 291 NE2 GLN A 22 -3.875 -2.139 12.648 1.00 0.00 N ATOM 0 H GLN A 22 0.627 -3.934 9.131 1.00 0.00 H new ATOM 0 HA GLN A 22 -1.518 -2.038 8.362 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -0.206 -2.704 10.983 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -0.652 -1.034 10.692 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -2.994 -1.956 10.073 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -2.462 -3.456 10.806 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -4.506 -2.713 12.089 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -4.170 -1.801 13.564 1.00 0.00 H new ATOM 300 N LEU A 23 0.090 -0.319 7.632 1.00 0.00 N ATOM 301 CA LEU A 23 1.028 0.675 7.121 1.00 0.00 C ATOM 302 C LEU A 23 0.629 2.079 7.564 1.00 0.00 C ATOM 303 O LEU A 23 -0.417 2.271 8.184 1.00 0.00 O ATOM 304 CB LEU A 23 1.091 0.608 5.594 1.00 0.00 C ATOM 305 CG LEU A 23 1.594 -0.708 5.000 1.00 0.00 C ATOM 306 CD1 LEU A 23 1.498 -0.680 3.483 1.00 0.00 C ATOM 307 CD2 LEU A 23 3.025 -0.979 5.440 1.00 0.00 C ATOM 0 H LEU A 23 -0.866 -0.208 7.295 1.00 0.00 H new ATOM 0 HA LEU A 23 2.014 0.452 7.529 1.00 0.00 H new ATOM 0 HB2 LEU A 23 0.094 0.803 5.200 1.00 0.00 H new ATOM 0 HB3 LEU A 23 1.736 1.413 5.241 1.00 0.00 H new ATOM 0 HG LEU A 23 0.962 -1.516 5.369 1.00 0.00 H new ATOM 0 HD11 LEU A 23 1.860 -1.625 3.078 1.00 0.00 H new ATOM 0 HD12 LEU A 23 0.459 -0.533 3.187 1.00 0.00 H new ATOM 0 HD13 LEU A 23 2.105 0.138 3.095 1.00 0.00 H new ATOM 0 HD21 LEU A 23 3.367 -1.920 5.008 1.00 0.00 H new ATOM 0 HD22 LEU A 23 3.670 -0.168 5.100 1.00 0.00 H new ATOM 0 HD23 LEU A 23 3.065 -1.043 6.527 1.00 0.00 H new ATOM 319 N ARG A 24 1.468 3.057 7.239 1.00 0.00 N ATOM 320 CA ARG A 24 1.202 4.444 7.602 1.00 0.00 C ATOM 321 C ARG A 24 1.820 5.400 6.586 1.00 0.00 C ATOM 322 O ARG A 24 2.911 5.155 6.070 1.00 0.00 O ATOM 323 CB ARG A 24 1.751 4.742 8.998 1.00 0.00 C ATOM 324 CG ARG A 24 0.982 5.824 9.737 1.00 0.00 C ATOM 325 CD ARG A 24 1.324 5.838 11.219 1.00 0.00 C ATOM 326 NE ARG A 24 0.734 6.984 11.906 1.00 0.00 N ATOM 327 CZ ARG A 24 1.127 8.238 11.714 1.00 0.00 C ATOM 328 NH1 ARG A 24 2.104 8.506 10.860 1.00 0.00 N ATOM 329 NH2 ARG A 24 0.541 9.227 12.377 1.00 0.00 N ATOM 0 H ARG A 24 2.338 2.915 6.725 1.00 0.00 H new ATOM 0 HA ARG A 24 0.122 4.592 7.604 1.00 0.00 H new ATOM 0 HB2 ARG A 24 1.732 3.827 9.589 1.00 0.00 H new ATOM 0 HB3 ARG A 24 2.795 5.044 8.912 1.00 0.00 H new ATOM 0 HG2 ARG A 24 1.210 6.796 9.301 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -0.088 5.661 9.611 1.00 0.00 H new ATOM 0 HD2 ARG A 24 0.970 4.917 11.681 1.00 0.00 H new ATOM 0 HD3 ARG A 24 2.407 5.860 11.341 1.00 0.00 H new ATOM 0 HE ARG A 24 -0.021 6.812 12.570 1.00 0.00 H new ATOM 0 HH11 ARG A 24 2.556 7.748 10.348 1.00 0.00 H new ATOM 0 HH12 ARG A 24 2.404 9.470 10.714 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -0.212 9.024 13.035 1.00 0.00 H new ATOM 0 HH22 ARG A 24 0.843 10.190 12.229 1.00 0.00 H new ATOM 343 N CYS A 25 1.115 6.490 6.303 1.00 0.00 N ATOM 344 CA CYS A 25 1.592 7.483 5.348 1.00 0.00 C ATOM 345 C CYS A 25 1.784 8.838 6.023 1.00 0.00 C ATOM 346 O CYS A 25 0.849 9.395 6.599 1.00 0.00 O ATOM 347 CB CYS A 25 0.609 7.616 4.184 1.00 0.00 C ATOM 348 SG CYS A 25 1.076 8.878 2.956 1.00 0.00 S ATOM 0 H CYS A 25 0.211 6.708 6.722 1.00 0.00 H new ATOM 0 HA CYS A 25 2.555 7.148 4.964 1.00 0.00 H new ATOM 0 HB2 CYS A 25 0.523 6.652 3.683 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -0.377 7.858 4.581 1.00 0.00 H new ATOM 353 N ARG A 26 3.003 9.363 5.948 1.00 0.00 N ATOM 354 CA ARG A 26 3.318 10.652 6.552 1.00 0.00 C ATOM 355 C ARG A 26 2.618 11.787 5.809 1.00 0.00 C ATOM 356 O ARG A 26 2.905 12.049 4.641 1.00 0.00 O ATOM 357 CB ARG A 26 4.830 10.884 6.550 1.00 0.00 C ATOM 358 CG ARG A 26 5.351 11.495 5.260 1.00 0.00 C ATOM 359 CD ARG A 26 6.867 11.413 5.177 1.00 0.00 C ATOM 360 NE ARG A 26 7.375 11.939 3.913 1.00 0.00 N ATOM 361 CZ ARG A 26 8.626 12.351 3.738 1.00 0.00 C ATOM 362 NH1 ARG A 26 9.491 12.298 4.742 1.00 0.00 N ATOM 363 NH2 ARG A 26 9.014 12.818 2.558 1.00 0.00 N ATOM 0 H ARG A 26 3.788 8.916 5.475 1.00 0.00 H new ATOM 0 HA ARG A 26 2.960 10.639 7.581 1.00 0.00 H new ATOM 0 HB2 ARG A 26 5.090 11.538 7.383 1.00 0.00 H new ATOM 0 HB3 ARG A 26 5.335 9.933 6.722 1.00 0.00 H new ATOM 0 HG2 ARG A 26 4.910 10.978 4.407 1.00 0.00 H new ATOM 0 HG3 ARG A 26 5.038 12.537 5.197 1.00 0.00 H new ATOM 0 HD2 ARG A 26 7.306 11.971 6.004 1.00 0.00 H new ATOM 0 HD3 ARG A 26 7.181 10.375 5.290 1.00 0.00 H new ATOM 0 HE ARG A 26 6.734 11.993 3.121 1.00 0.00 H new ATOM 0 HH11 ARG A 26 9.196 11.940 5.651 1.00 0.00 H new ATOM 0 HH12 ARG A 26 10.451 12.615 4.605 1.00 0.00 H new ATOM 0 HH21 ARG A 26 8.351 12.861 1.784 1.00 0.00 H new ATOM 0 HH22 ARG A 26 9.975 13.134 2.425 1.00 0.00 H new ATOM 377 N LEU A 27 1.697 12.456 6.495 1.00 0.00 N ATOM 378 CA LEU A 27 0.955 13.562 5.901 1.00 0.00 C ATOM 379 C LEU A 27 1.543 14.904 6.327 1.00 0.00 C ATOM 380 O LEU A 27 2.357 14.971 7.248 1.00 0.00 O ATOM 381 CB LEU A 27 -0.519 13.488 6.302 1.00 0.00 C ATOM 382 CG LEU A 27 -1.303 12.292 5.760 1.00 0.00 C ATOM 383 CD1 LEU A 27 -2.721 12.290 6.310 1.00 0.00 C ATOM 384 CD2 LEU A 27 -1.318 12.310 4.238 1.00 0.00 C ATOM 0 H LEU A 27 1.447 12.252 7.462 1.00 0.00 H new ATOM 0 HA LEU A 27 1.035 13.479 4.817 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -0.578 13.473 7.390 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -1.012 14.401 5.969 1.00 0.00 H new ATOM 0 HG LEU A 27 -0.808 11.378 6.087 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -3.264 11.432 5.913 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -2.689 12.228 7.398 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -3.228 13.208 6.013 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -1.880 11.452 3.870 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -1.789 13.229 3.890 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -0.295 12.262 3.863 1.00 0.00 H new ATOM 396 N ARG A 28 1.123 15.969 5.652 1.00 0.00 N ATOM 397 CA ARG A 28 1.608 17.309 5.961 1.00 0.00 C ATOM 398 C ARG A 28 0.463 18.209 6.417 1.00 0.00 C ATOM 399 O ARG A 28 -0.685 17.773 6.506 1.00 0.00 O ATOM 400 CB ARG A 28 2.296 17.920 4.740 1.00 0.00 C ATOM 401 CG ARG A 28 2.997 16.898 3.861 1.00 0.00 C ATOM 402 CD ARG A 28 3.313 17.467 2.487 1.00 0.00 C ATOM 403 NE ARG A 28 4.406 18.435 2.533 1.00 0.00 N ATOM 404 CZ ARG A 28 5.106 18.805 1.467 1.00 0.00 C ATOM 405 NH1 ARG A 28 4.828 18.292 0.276 1.00 0.00 N ATOM 406 NH2 ARG A 28 6.087 19.691 1.590 1.00 0.00 N ATOM 0 H ARG A 28 0.448 15.930 4.888 1.00 0.00 H new ATOM 0 HA ARG A 28 2.330 17.229 6.773 1.00 0.00 H new ATOM 0 HB2 ARG A 28 1.554 18.452 4.144 1.00 0.00 H new ATOM 0 HB3 ARG A 28 3.024 18.658 5.075 1.00 0.00 H new ATOM 0 HG2 ARG A 28 3.920 16.574 4.343 1.00 0.00 H new ATOM 0 HG3 ARG A 28 2.367 16.015 3.754 1.00 0.00 H new ATOM 0 HD2 ARG A 28 3.577 16.654 1.810 1.00 0.00 H new ATOM 0 HD3 ARG A 28 2.422 17.945 2.079 1.00 0.00 H new ATOM 0 HE ARG A 28 4.645 18.850 3.434 1.00 0.00 H new ATOM 0 HH11 ARG A 28 4.075 17.611 0.177 1.00 0.00 H new ATOM 0 HH12 ARG A 28 5.367 18.578 -0.541 1.00 0.00 H new ATOM 0 HH21 ARG A 28 6.304 20.088 2.504 1.00 0.00 H new ATOM 0 HH22 ARG A 28 6.624 19.974 0.770 1.00 0.00 H new ATOM 420 N ASP A 29 0.783 19.466 6.704 1.00 0.00 N ATOM 421 CA ASP A 29 -0.218 20.428 7.149 1.00 0.00 C ATOM 422 C ASP A 29 -0.973 21.016 5.961 1.00 0.00 C ATOM 423 O ASP A 29 -1.998 21.677 6.130 1.00 0.00 O ATOM 424 CB ASP A 29 0.442 21.547 7.955 1.00 0.00 C ATOM 425 CG ASP A 29 -0.454 22.072 9.060 1.00 0.00 C ATOM 426 OD1 ASP A 29 -1.672 22.208 8.821 1.00 0.00 O ATOM 427 OD2 ASP A 29 0.063 22.347 10.163 1.00 0.00 O ATOM 0 H ASP A 29 1.729 19.843 6.636 1.00 0.00 H new ATOM 0 HA ASP A 29 -0.931 19.905 7.786 1.00 0.00 H new ATOM 0 HB2 ASP A 29 1.371 21.178 8.389 1.00 0.00 H new ATOM 0 HB3 ASP A 29 0.706 22.366 7.286 1.00 0.00 H new ATOM 432 N ASP A 30 -0.458 20.773 4.761 1.00 0.00 N ATOM 433 CA ASP A 30 -1.083 21.278 3.544 1.00 0.00 C ATOM 434 C ASP A 30 -1.791 20.157 2.790 1.00 0.00 C ATOM 435 O ASP A 30 -2.793 20.386 2.113 1.00 0.00 O ATOM 436 CB ASP A 30 -0.037 21.935 2.643 1.00 0.00 C ATOM 437 CG ASP A 30 1.108 20.999 2.307 1.00 0.00 C ATOM 438 OD1 ASP A 30 0.839 19.815 2.011 1.00 0.00 O ATOM 439 OD2 ASP A 30 2.272 21.450 2.340 1.00 0.00 O ATOM 0 H ASP A 30 0.391 20.229 4.605 1.00 0.00 H new ATOM 0 HA ASP A 30 -1.825 22.024 3.829 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -0.513 22.267 1.721 1.00 0.00 H new ATOM 0 HB3 ASP A 30 0.357 22.824 3.136 1.00 0.00 H new ATOM 444 N VAL A 31 -1.261 18.943 2.911 1.00 0.00 N ATOM 445 CA VAL A 31 -1.842 17.786 2.241 1.00 0.00 C ATOM 446 C VAL A 31 -3.361 17.893 2.177 1.00 0.00 C ATOM 447 O VAL A 31 -4.006 18.283 3.149 1.00 0.00 O ATOM 448 CB VAL A 31 -1.459 16.475 2.953 1.00 0.00 C ATOM 449 CG1 VAL A 31 -2.434 15.366 2.590 1.00 0.00 C ATOM 450 CG2 VAL A 31 -0.033 16.077 2.607 1.00 0.00 C ATOM 0 H VAL A 31 -0.431 18.736 3.467 1.00 0.00 H new ATOM 0 HA VAL A 31 -1.440 17.771 1.228 1.00 0.00 H new ATOM 0 HB VAL A 31 -1.515 16.637 4.029 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -2.147 14.448 3.102 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -3.441 15.652 2.894 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -2.414 15.202 1.513 1.00 0.00 H new ATOM 0 HG21 VAL A 31 0.220 15.149 3.119 1.00 0.00 H new ATOM 0 HG22 VAL A 31 0.053 15.933 1.530 1.00 0.00 H new ATOM 0 HG23 VAL A 31 0.651 16.864 2.924 1.00 0.00 H new ATOM 460 N GLN A 32 -3.925 17.542 1.025 1.00 0.00 N ATOM 461 CA GLN A 32 -5.370 17.599 0.835 1.00 0.00 C ATOM 462 C GLN A 32 -5.951 16.200 0.658 1.00 0.00 C ATOM 463 O GLN A 32 -7.048 15.908 1.135 1.00 0.00 O ATOM 464 CB GLN A 32 -5.712 18.463 -0.380 1.00 0.00 C ATOM 465 CG GLN A 32 -5.293 19.917 -0.230 1.00 0.00 C ATOM 466 CD GLN A 32 -6.195 20.866 -0.993 1.00 0.00 C ATOM 467 OE1 GLN A 32 -7.338 20.535 -1.309 1.00 0.00 O ATOM 468 NE2 GLN A 32 -5.685 22.055 -1.294 1.00 0.00 N ATOM 0 H GLN A 32 -3.404 17.216 0.211 1.00 0.00 H new ATOM 0 HA GLN A 32 -5.811 18.046 1.726 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -5.228 18.043 -1.262 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -6.787 18.420 -0.555 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -5.300 20.186 0.826 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -4.268 20.034 -0.582 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -4.733 22.288 -1.012 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -6.246 22.735 -1.807 1.00 0.00 H new ATOM 477 N SER A 33 -5.209 15.339 -0.030 1.00 0.00 N ATOM 478 CA SER A 33 -5.652 13.971 -0.274 1.00 0.00 C ATOM 479 C SER A 33 -4.473 13.004 -0.241 1.00 0.00 C ATOM 480 O SER A 33 -3.326 13.413 -0.061 1.00 0.00 O ATOM 481 CB SER A 33 -6.367 13.877 -1.623 1.00 0.00 C ATOM 482 OG SER A 33 -7.363 12.869 -1.603 1.00 0.00 O ATOM 0 H SER A 33 -4.298 15.564 -0.429 1.00 0.00 H new ATOM 0 HA SER A 33 -6.348 13.694 0.518 1.00 0.00 H new ATOM 0 HB2 SER A 33 -6.822 14.838 -1.865 1.00 0.00 H new ATOM 0 HB3 SER A 33 -5.642 13.661 -2.408 1.00 0.00 H new ATOM 0 HG SER A 33 -7.807 12.830 -2.476 1.00 0.00 H new ATOM 488 N ILE A 34 -4.765 11.720 -0.417 1.00 0.00 N ATOM 489 CA ILE A 34 -3.729 10.694 -0.410 1.00 0.00 C ATOM 490 C ILE A 34 -3.996 9.635 -1.474 1.00 0.00 C ATOM 491 O ILE A 34 -5.142 9.257 -1.715 1.00 0.00 O ATOM 492 CB ILE A 34 -3.627 10.008 0.966 1.00 0.00 C ATOM 493 CG1 ILE A 34 -3.571 11.055 2.080 1.00 0.00 C ATOM 494 CG2 ILE A 34 -2.403 9.106 1.018 1.00 0.00 C ATOM 495 CD1 ILE A 34 -3.721 10.470 3.467 1.00 0.00 C ATOM 0 H ILE A 34 -5.710 11.365 -0.566 1.00 0.00 H new ATOM 0 HA ILE A 34 -2.786 11.196 -0.629 1.00 0.00 H new ATOM 0 HB ILE A 34 -4.515 9.393 1.116 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -2.622 11.587 2.020 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -4.360 11.790 1.917 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -2.344 8.628 1.996 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -2.481 8.342 0.245 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -1.505 9.701 0.850 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -3.672 11.269 4.206 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -4.682 9.962 3.546 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -2.917 9.757 3.650 1.00 0.00 H new ATOM 507 N ASN A 35 -2.929 9.159 -2.108 1.00 0.00 N ATOM 508 CA ASN A 35 -3.048 8.143 -3.147 1.00 0.00 C ATOM 509 C ASN A 35 -2.195 6.923 -2.814 1.00 0.00 C ATOM 510 O ASN A 35 -0.966 6.986 -2.842 1.00 0.00 O ATOM 511 CB ASN A 35 -2.630 8.717 -4.502 1.00 0.00 C ATOM 512 CG ASN A 35 -3.351 8.054 -5.659 1.00 0.00 C ATOM 513 OD1 ASN A 35 -2.716 7.052 -6.256 1.00 0.00 O flip ATOM 514 ND2 ASN A 35 -4.467 8.437 -6.011 1.00 0.00 N flip ATOM 0 H ASN A 35 -1.973 9.461 -1.920 1.00 0.00 H new ATOM 0 HA ASN A 35 -4.091 7.832 -3.199 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -2.832 9.788 -4.518 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -1.555 8.594 -4.629 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -4.918 9.211 -5.523 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -4.941 7.980 -6.790 1.00 0.00 H new ATOM 521 N TRP A 36 -2.855 5.814 -2.501 1.00 0.00 N ATOM 522 CA TRP A 36 -2.157 4.578 -2.164 1.00 0.00 C ATOM 523 C TRP A 36 -1.804 3.791 -3.421 1.00 0.00 C ATOM 524 O TRP A 36 -2.640 3.610 -4.307 1.00 0.00 O ATOM 525 CB TRP A 36 -3.017 3.720 -1.235 1.00 0.00 C ATOM 526 CG TRP A 36 -2.921 4.124 0.205 1.00 0.00 C ATOM 527 CD1 TRP A 36 -3.865 4.788 0.935 1.00 0.00 C ATOM 528 CD2 TRP A 36 -1.818 3.892 1.089 1.00 0.00 C ATOM 529 NE1 TRP A 36 -3.416 4.982 2.219 1.00 0.00 N ATOM 530 CE2 TRP A 36 -2.164 4.441 2.339 1.00 0.00 C ATOM 531 CE3 TRP A 36 -0.574 3.272 0.946 1.00 0.00 C ATOM 532 CZ2 TRP A 36 -1.309 4.389 3.437 1.00 0.00 C ATOM 533 CZ3 TRP A 36 0.273 3.221 2.036 1.00 0.00 C ATOM 534 CH2 TRP A 36 -0.097 3.776 3.269 1.00 0.00 C ATOM 0 H TRP A 36 -3.872 5.745 -2.473 1.00 0.00 H new ATOM 0 HA TRP A 36 -1.232 4.841 -1.652 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -4.057 3.783 -1.554 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -2.716 2.677 -1.333 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -4.824 5.113 0.558 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -3.932 5.453 2.962 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -0.280 2.841 0.001 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -1.592 4.817 4.387 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 1.237 2.745 1.937 1.00 0.00 H new ATOM 0 HH2 TRP A 36 0.588 3.719 4.102 1.00 0.00 H new ATOM 545 N LEU A 37 -0.562 3.326 -3.493 1.00 0.00 N ATOM 546 CA LEU A 37 -0.098 2.558 -4.643 1.00 0.00 C ATOM 547 C LEU A 37 0.645 1.303 -4.196 1.00 0.00 C ATOM 548 O LEU A 37 1.040 1.184 -3.036 1.00 0.00 O ATOM 549 CB LEU A 37 0.811 3.417 -5.523 1.00 0.00 C ATOM 550 CG LEU A 37 0.160 4.640 -6.169 1.00 0.00 C ATOM 551 CD1 LEU A 37 1.176 5.758 -6.343 1.00 0.00 C ATOM 552 CD2 LEU A 37 -0.461 4.268 -7.508 1.00 0.00 C ATOM 0 H LEU A 37 0.142 3.467 -2.769 1.00 0.00 H new ATOM 0 HA LEU A 37 -0.971 2.255 -5.221 1.00 0.00 H new ATOM 0 HB2 LEU A 37 1.653 3.755 -4.919 1.00 0.00 H new ATOM 0 HB3 LEU A 37 1.218 2.787 -6.314 1.00 0.00 H new ATOM 0 HG LEU A 37 -0.631 4.997 -5.510 1.00 0.00 H new ATOM 0 HD11 LEU A 37 0.693 6.620 -6.804 1.00 0.00 H new ATOM 0 HD12 LEU A 37 1.574 6.043 -5.369 1.00 0.00 H new ATOM 0 HD13 LEU A 37 1.990 5.414 -6.981 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -0.920 5.150 -7.954 1.00 0.00 H new ATOM 0 HD22 LEU A 37 0.312 3.885 -8.174 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -1.221 3.501 -7.356 1.00 0.00 H new ATOM 564 N ARG A 38 0.834 0.371 -5.124 1.00 0.00 N ATOM 565 CA ARG A 38 1.532 -0.874 -4.826 1.00 0.00 C ATOM 566 C ARG A 38 2.198 -1.438 -6.078 1.00 0.00 C ATOM 567 O ARG A 38 1.524 -1.794 -7.045 1.00 0.00 O ATOM 568 CB ARG A 38 0.559 -1.902 -4.246 1.00 0.00 C ATOM 569 CG ARG A 38 1.225 -3.201 -3.823 1.00 0.00 C ATOM 570 CD ARG A 38 0.317 -4.026 -2.926 1.00 0.00 C ATOM 571 NE ARG A 38 -0.572 -4.892 -3.695 1.00 0.00 N ATOM 572 CZ ARG A 38 -1.627 -5.511 -3.175 1.00 0.00 C ATOM 573 NH1 ARG A 38 -1.922 -5.359 -1.891 1.00 0.00 N ATOM 574 NH2 ARG A 38 -2.389 -6.283 -3.939 1.00 0.00 N ATOM 0 H ARG A 38 0.514 0.454 -6.089 1.00 0.00 H new ATOM 0 HA ARG A 38 2.306 -0.660 -4.089 1.00 0.00 H new ATOM 0 HB2 ARG A 38 0.054 -1.465 -3.384 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -0.209 -2.122 -4.988 1.00 0.00 H new ATOM 0 HG2 ARG A 38 1.489 -3.781 -4.708 1.00 0.00 H new ATOM 0 HG3 ARG A 38 2.154 -2.980 -3.298 1.00 0.00 H new ATOM 0 HD2 ARG A 38 0.925 -4.634 -2.256 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -0.277 -3.360 -2.301 1.00 0.00 H new ATOM 0 HE ARG A 38 -0.372 -5.030 -4.686 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -1.339 -4.766 -1.300 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -2.732 -5.835 -1.494 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -2.166 -6.402 -4.927 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -3.198 -6.757 -3.538 1.00 0.00 H new ATOM 588 N ASP A 39 3.523 -1.515 -6.053 1.00 0.00 N ATOM 589 CA ASP A 39 4.281 -2.035 -7.185 1.00 0.00 C ATOM 590 C ASP A 39 4.056 -1.180 -8.428 1.00 0.00 C ATOM 591 O ASP A 39 4.161 -1.664 -9.554 1.00 0.00 O ATOM 592 CB ASP A 39 3.883 -3.485 -7.469 1.00 0.00 C ATOM 593 CG ASP A 39 4.681 -4.476 -6.645 1.00 0.00 C ATOM 594 OD1 ASP A 39 5.151 -4.097 -5.552 1.00 0.00 O ATOM 595 OD2 ASP A 39 4.836 -5.631 -7.094 1.00 0.00 O ATOM 0 H ASP A 39 4.095 -1.224 -5.261 1.00 0.00 H new ATOM 0 HA ASP A 39 5.340 -2.000 -6.929 1.00 0.00 H new ATOM 0 HB2 ASP A 39 2.821 -3.615 -7.260 1.00 0.00 H new ATOM 0 HB3 ASP A 39 4.028 -3.698 -8.528 1.00 0.00 H new ATOM 600 N GLY A 40 3.745 0.095 -8.215 1.00 0.00 N ATOM 601 CA GLY A 40 3.509 0.997 -9.328 1.00 0.00 C ATOM 602 C GLY A 40 2.104 0.877 -9.883 1.00 0.00 C ATOM 603 O GLY A 40 1.911 0.823 -11.098 1.00 0.00 O ATOM 0 H GLY A 40 3.652 0.519 -7.292 1.00 0.00 H new ATOM 0 HA2 GLY A 40 3.682 2.023 -9.003 1.00 0.00 H new ATOM 0 HA3 GLY A 40 4.228 0.788 -10.120 1.00 0.00 H new ATOM 607 N VAL A 41 1.119 0.833 -8.992 1.00 0.00 N ATOM 608 CA VAL A 41 -0.276 0.718 -9.400 1.00 0.00 C ATOM 609 C VAL A 41 -1.215 1.099 -8.261 1.00 0.00 C ATOM 610 O VAL A 41 -0.916 0.858 -7.091 1.00 0.00 O ATOM 611 CB VAL A 41 -0.608 -0.711 -9.869 1.00 0.00 C ATOM 612 CG1 VAL A 41 -0.885 -1.613 -8.676 1.00 0.00 C ATOM 613 CG2 VAL A 41 -1.792 -0.697 -10.823 1.00 0.00 C ATOM 0 H VAL A 41 1.261 0.875 -7.983 1.00 0.00 H new ATOM 0 HA VAL A 41 -0.420 1.408 -10.232 1.00 0.00 H new ATOM 0 HB VAL A 41 0.255 -1.109 -10.403 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -1.118 -2.619 -9.026 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -0.005 -1.647 -8.034 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -1.731 -1.221 -8.112 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -2.012 -1.715 -11.144 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -2.662 -0.280 -10.317 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -1.551 -0.086 -11.693 1.00 0.00 H new ATOM 623 N GLN A 42 -2.351 1.693 -8.611 1.00 0.00 N ATOM 624 CA GLN A 42 -3.334 2.106 -7.616 1.00 0.00 C ATOM 625 C GLN A 42 -3.695 0.948 -6.693 1.00 0.00 C ATOM 626 O GLN A 42 -3.952 -0.167 -7.149 1.00 0.00 O ATOM 627 CB GLN A 42 -4.594 2.638 -8.304 1.00 0.00 C ATOM 628 CG GLN A 42 -5.691 3.045 -7.333 1.00 0.00 C ATOM 629 CD GLN A 42 -5.595 4.501 -6.921 1.00 0.00 C ATOM 630 OE1 GLN A 42 -4.572 4.830 -6.142 1.00 0.00 O flip ATOM 631 NE2 GLN A 42 -6.432 5.321 -7.300 1.00 0.00 N flip ATOM 0 H GLN A 42 -2.614 1.899 -9.575 1.00 0.00 H new ATOM 0 HA GLN A 42 -2.893 2.901 -7.015 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -4.327 3.498 -8.919 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -4.981 1.873 -8.977 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -6.663 2.865 -7.792 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -5.637 2.416 -6.445 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -7.203 5.024 -7.899 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -6.355 6.297 -7.015 1.00 0.00 H new ATOM 640 N LEU A 43 -3.712 1.218 -5.392 1.00 0.00 N ATOM 641 CA LEU A 43 -4.042 0.197 -4.403 1.00 0.00 C ATOM 642 C LEU A 43 -5.549 0.115 -4.187 1.00 0.00 C ATOM 643 O LEU A 43 -6.259 1.113 -4.307 1.00 0.00 O ATOM 644 CB LEU A 43 -3.341 0.499 -3.077 1.00 0.00 C ATOM 645 CG LEU A 43 -3.465 -0.572 -1.994 1.00 0.00 C ATOM 646 CD1 LEU A 43 -2.892 -1.894 -2.482 1.00 0.00 C ATOM 647 CD2 LEU A 43 -2.766 -0.124 -0.718 1.00 0.00 C ATOM 0 H LEU A 43 -3.501 2.135 -4.998 1.00 0.00 H new ATOM 0 HA LEU A 43 -3.695 -0.765 -4.780 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -2.282 0.663 -3.278 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -3.740 1.434 -2.683 1.00 0.00 H new ATOM 0 HG LEU A 43 -4.522 -0.717 -1.773 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -2.989 -2.644 -1.697 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -3.437 -2.222 -3.367 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -1.839 -1.764 -2.731 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -2.865 -0.899 0.042 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -1.710 0.050 -0.924 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -3.222 0.798 -0.358 1.00 0.00 H new ATOM 659 N ALA A 44 -6.031 -1.082 -3.867 1.00 0.00 N ATOM 660 CA ALA A 44 -7.454 -1.294 -3.631 1.00 0.00 C ATOM 661 C ALA A 44 -7.688 -2.019 -2.310 1.00 0.00 C ATOM 662 O ALA A 44 -6.838 -2.780 -1.850 1.00 0.00 O ATOM 663 CB ALA A 44 -8.069 -2.077 -4.781 1.00 0.00 C ATOM 0 H ALA A 44 -5.457 -1.919 -3.765 1.00 0.00 H new ATOM 0 HA ALA A 44 -7.937 -0.319 -3.571 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -9.132 -2.228 -4.591 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -7.942 -1.520 -5.709 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -7.575 -3.045 -4.868 1.00 0.00 H new ATOM 669 N GLU A 45 -8.847 -1.777 -1.704 1.00 0.00 N ATOM 670 CA GLU A 45 -9.191 -2.406 -0.435 1.00 0.00 C ATOM 671 C GLU A 45 -10.088 -3.621 -0.655 1.00 0.00 C ATOM 672 O GLU A 45 -10.802 -3.705 -1.655 1.00 0.00 O ATOM 673 CB GLU A 45 -9.890 -1.402 0.484 1.00 0.00 C ATOM 674 CG GLU A 45 -9.460 0.037 0.254 1.00 0.00 C ATOM 675 CD GLU A 45 -10.447 1.039 0.819 1.00 0.00 C ATOM 676 OE1 GLU A 45 -11.055 0.746 1.870 1.00 0.00 O ATOM 677 OE2 GLU A 45 -10.612 2.117 0.210 1.00 0.00 O ATOM 0 H GLU A 45 -9.563 -1.150 -2.072 1.00 0.00 H new ATOM 0 HA GLU A 45 -8.267 -2.739 0.038 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -10.968 -1.478 0.338 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -9.689 -1.671 1.521 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -8.483 0.198 0.711 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -9.344 0.211 -0.816 1.00 0.00 H new ATOM 684 N SER A 46 -10.046 -4.559 0.285 1.00 0.00 N ATOM 685 CA SER A 46 -10.851 -5.771 0.193 1.00 0.00 C ATOM 686 C SER A 46 -11.184 -6.310 1.581 1.00 0.00 C ATOM 687 O SER A 46 -10.695 -5.802 2.589 1.00 0.00 O ATOM 688 CB SER A 46 -10.112 -6.838 -0.618 1.00 0.00 C ATOM 689 OG SER A 46 -8.923 -7.244 0.038 1.00 0.00 O ATOM 0 H SER A 46 -9.463 -4.503 1.120 1.00 0.00 H new ATOM 0 HA SER A 46 -11.784 -5.521 -0.313 1.00 0.00 H new ATOM 0 HB2 SER A 46 -10.761 -7.701 -0.767 1.00 0.00 H new ATOM 0 HB3 SER A 46 -9.870 -6.446 -1.606 1.00 0.00 H new ATOM 0 HG SER A 46 -8.470 -7.927 -0.499 1.00 0.00 H new ATOM 695 N ASN A 47 -12.019 -7.342 1.623 1.00 0.00 N ATOM 696 CA ASN A 47 -12.419 -7.951 2.887 1.00 0.00 C ATOM 697 C ASN A 47 -11.274 -7.915 3.894 1.00 0.00 C ATOM 698 O ASN A 47 -11.496 -7.791 5.099 1.00 0.00 O ATOM 699 CB ASN A 47 -12.870 -9.395 2.662 1.00 0.00 C ATOM 700 CG ASN A 47 -13.240 -10.094 3.956 1.00 0.00 C ATOM 701 OD1 ASN A 47 -12.462 -10.883 4.492 1.00 0.00 O ATOM 702 ND2 ASN A 47 -14.433 -9.807 4.463 1.00 0.00 N ATOM 0 H ASN A 47 -12.432 -7.775 0.797 1.00 0.00 H new ATOM 0 HA ASN A 47 -13.253 -7.376 3.290 1.00 0.00 H new ATOM 0 HB2 ASN A 47 -13.728 -9.404 1.989 1.00 0.00 H new ATOM 0 HB3 ASN A 47 -12.072 -9.949 2.168 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -14.737 -10.247 5.331 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -15.045 -9.146 3.984 1.00 0.00 H new ATOM 709 N ARG A 48 -10.048 -8.023 3.392 1.00 0.00 N ATOM 710 CA ARG A 48 -8.867 -8.003 4.247 1.00 0.00 C ATOM 711 C ARG A 48 -8.214 -6.624 4.241 1.00 0.00 C ATOM 712 O ARG A 48 -8.094 -5.977 5.282 1.00 0.00 O ATOM 713 CB ARG A 48 -7.860 -9.059 3.787 1.00 0.00 C ATOM 714 CG ARG A 48 -8.350 -10.487 3.965 1.00 0.00 C ATOM 715 CD ARG A 48 -7.339 -11.492 3.435 1.00 0.00 C ATOM 716 NE ARG A 48 -7.274 -11.485 1.976 1.00 0.00 N ATOM 717 CZ ARG A 48 -8.253 -11.925 1.194 1.00 0.00 C ATOM 718 NH1 ARG A 48 -9.368 -12.405 1.729 1.00 0.00 N ATOM 719 NH2 ARG A 48 -8.119 -11.886 -0.125 1.00 0.00 N ATOM 0 H ARG A 48 -9.847 -8.125 2.397 1.00 0.00 H new ATOM 0 HA ARG A 48 -9.183 -8.231 5.265 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -7.627 -8.892 2.735 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -6.932 -8.930 4.344 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -8.537 -10.680 5.021 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -9.299 -10.615 3.445 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -6.354 -11.265 3.843 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -7.605 -12.491 3.781 1.00 0.00 H new ATOM 0 HE ARG A 48 -6.430 -11.122 1.533 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -9.475 -12.437 2.743 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -10.119 -12.742 1.126 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -7.263 -11.518 -0.540 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -8.872 -12.224 -0.724 1.00 0.00 H new ATOM 733 N THR A 49 -7.792 -6.180 3.061 1.00 0.00 N ATOM 734 CA THR A 49 -7.150 -4.880 2.919 1.00 0.00 C ATOM 735 C THR A 49 -8.106 -3.751 3.286 1.00 0.00 C ATOM 736 O THR A 49 -9.303 -3.825 3.008 1.00 0.00 O ATOM 737 CB THR A 49 -6.639 -4.659 1.483 1.00 0.00 C ATOM 738 OG1 THR A 49 -5.847 -5.777 1.067 1.00 0.00 O ATOM 739 CG2 THR A 49 -5.814 -3.385 1.392 1.00 0.00 C ATOM 0 H THR A 49 -7.884 -6.702 2.190 1.00 0.00 H new ATOM 0 HA THR A 49 -6.302 -4.871 3.604 1.00 0.00 H new ATOM 0 HB THR A 49 -7.503 -4.561 0.825 1.00 0.00 H new ATOM 0 HG1 THR A 49 -5.527 -5.629 0.152 1.00 0.00 H new ATOM 0 HG21 THR A 49 -5.464 -3.250 0.368 1.00 0.00 H new ATOM 0 HG22 THR A 49 -6.428 -2.532 1.681 1.00 0.00 H new ATOM 0 HG23 THR A 49 -4.957 -3.458 2.062 1.00 0.00 H new ATOM 747 N ARG A 50 -7.571 -2.707 3.910 1.00 0.00 N ATOM 748 CA ARG A 50 -8.378 -1.562 4.314 1.00 0.00 C ATOM 749 C ARG A 50 -7.572 -0.270 4.225 1.00 0.00 C ATOM 750 O ARG A 50 -6.549 -0.118 4.892 1.00 0.00 O ATOM 751 CB ARG A 50 -8.896 -1.755 5.741 1.00 0.00 C ATOM 752 CG ARG A 50 -9.519 -0.504 6.337 1.00 0.00 C ATOM 753 CD ARG A 50 -10.935 -0.288 5.825 1.00 0.00 C ATOM 754 NE ARG A 50 -11.675 0.664 6.648 1.00 0.00 N ATOM 755 CZ ARG A 50 -12.839 1.196 6.291 1.00 0.00 C ATOM 756 NH1 ARG A 50 -13.392 0.870 5.130 1.00 0.00 N ATOM 757 NH2 ARG A 50 -13.452 2.055 7.094 1.00 0.00 N ATOM 0 H ARG A 50 -6.582 -2.630 4.147 1.00 0.00 H new ATOM 0 HA ARG A 50 -9.226 -1.488 3.633 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -9.635 -2.556 5.745 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -8.072 -2.079 6.377 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -9.532 -0.585 7.424 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -8.906 0.362 6.090 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -10.898 0.073 4.797 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -11.464 -1.241 5.809 1.00 0.00 H new ATOM 0 HE ARG A 50 -11.276 0.936 7.547 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -12.924 0.210 4.509 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -14.286 1.280 4.858 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -13.030 2.308 7.987 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -14.346 2.462 6.818 1.00 0.00 H new ATOM 771 N ILE A 51 -8.041 0.657 3.396 1.00 0.00 N ATOM 772 CA ILE A 51 -7.364 1.936 3.220 1.00 0.00 C ATOM 773 C ILE A 51 -8.149 3.068 3.874 1.00 0.00 C ATOM 774 O ILE A 51 -9.161 3.525 3.343 1.00 0.00 O ATOM 775 CB ILE A 51 -7.158 2.264 1.729 1.00 0.00 C ATOM 776 CG1 ILE A 51 -6.292 1.192 1.064 1.00 0.00 C ATOM 777 CG2 ILE A 51 -6.525 3.638 1.572 1.00 0.00 C ATOM 778 CD1 ILE A 51 -6.403 1.176 -0.444 1.00 0.00 C ATOM 0 H ILE A 51 -8.886 0.546 2.836 1.00 0.00 H new ATOM 0 HA ILE A 51 -6.390 1.846 3.702 1.00 0.00 H new ATOM 0 HB ILE A 51 -8.130 2.276 1.236 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -5.251 1.354 1.342 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -6.577 0.214 1.452 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -6.386 3.856 0.513 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -7.177 4.391 2.015 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -5.558 3.653 2.076 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -5.763 0.392 -0.848 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -7.437 0.984 -0.731 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -6.090 2.141 -0.842 1.00 0.00 H new ATOM 790 N THR A 52 -7.675 3.518 5.032 1.00 0.00 N ATOM 791 CA THR A 52 -8.331 4.597 5.759 1.00 0.00 C ATOM 792 C THR A 52 -7.821 5.959 5.301 1.00 0.00 C ATOM 793 O THR A 52 -8.071 6.976 5.946 1.00 0.00 O ATOM 794 CB THR A 52 -8.113 4.465 7.278 1.00 0.00 C ATOM 795 OG1 THR A 52 -6.713 4.507 7.578 1.00 0.00 O ATOM 796 CG2 THR A 52 -8.710 3.166 7.799 1.00 0.00 C ATOM 0 H THR A 52 -6.839 3.151 5.486 1.00 0.00 H new ATOM 0 HA THR A 52 -9.397 4.520 5.544 1.00 0.00 H new ATOM 0 HB THR A 52 -8.614 5.299 7.769 1.00 0.00 H new ATOM 0 HG1 THR A 52 -6.284 3.687 7.254 1.00 0.00 H new ATOM 0 HG21 THR A 52 -8.544 3.095 8.874 1.00 0.00 H new ATOM 0 HG22 THR A 52 -9.781 3.150 7.595 1.00 0.00 H new ATOM 0 HG23 THR A 52 -8.234 2.321 7.301 1.00 0.00 H new ATOM 804 N GLY A 53 -7.105 5.971 4.181 1.00 0.00 N ATOM 805 CA GLY A 53 -6.571 7.214 3.655 1.00 0.00 C ATOM 806 C GLY A 53 -5.063 7.298 3.782 1.00 0.00 C ATOM 807 O GLY A 53 -4.349 7.290 2.780 1.00 0.00 O ATOM 0 H GLY A 53 -6.885 5.142 3.628 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -6.850 7.310 2.606 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -7.024 8.053 4.183 1.00 0.00 H new ATOM 811 N GLU A 54 -4.579 7.380 5.017 1.00 0.00 N ATOM 812 CA GLU A 54 -3.145 7.468 5.270 1.00 0.00 C ATOM 813 C GLU A 54 -2.650 6.240 6.028 1.00 0.00 C ATOM 814 O GLU A 54 -1.468 6.135 6.354 1.00 0.00 O ATOM 815 CB GLU A 54 -2.822 8.736 6.064 1.00 0.00 C ATOM 816 CG GLU A 54 -2.897 8.546 7.570 1.00 0.00 C ATOM 817 CD GLU A 54 -3.226 9.831 8.305 1.00 0.00 C ATOM 818 OE1 GLU A 54 -4.353 10.340 8.135 1.00 0.00 O ATOM 819 OE2 GLU A 54 -2.354 10.327 9.050 1.00 0.00 O ATOM 0 H GLU A 54 -5.157 7.387 5.857 1.00 0.00 H new ATOM 0 HA GLU A 54 -2.634 7.510 4.308 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -1.821 9.076 5.798 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -3.515 9.525 5.771 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -3.654 7.796 7.800 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -1.944 8.159 7.931 1.00 0.00 H new ATOM 826 N GLU A 55 -3.563 5.314 6.304 1.00 0.00 N ATOM 827 CA GLU A 55 -3.219 4.094 7.025 1.00 0.00 C ATOM 828 C GLU A 55 -3.876 2.877 6.379 1.00 0.00 C ATOM 829 O GLU A 55 -5.096 2.828 6.219 1.00 0.00 O ATOM 830 CB GLU A 55 -3.648 4.202 8.489 1.00 0.00 C ATOM 831 CG GLU A 55 -2.635 4.913 9.370 1.00 0.00 C ATOM 832 CD GLU A 55 -3.105 5.054 10.804 1.00 0.00 C ATOM 833 OE1 GLU A 55 -3.108 4.039 11.531 1.00 0.00 O ATOM 834 OE2 GLU A 55 -3.471 6.181 11.200 1.00 0.00 O ATOM 0 H GLU A 55 -4.546 5.385 6.040 1.00 0.00 H new ATOM 0 HA GLU A 55 -2.137 3.968 6.980 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -4.599 4.733 8.542 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -3.820 3.200 8.883 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -1.694 4.362 9.353 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -2.433 5.902 8.959 1.00 0.00 H new ATOM 841 N VAL A 56 -3.059 1.897 6.009 1.00 0.00 N ATOM 842 CA VAL A 56 -3.559 0.680 5.381 1.00 0.00 C ATOM 843 C VAL A 56 -3.575 -0.481 6.369 1.00 0.00 C ATOM 844 O VAL A 56 -2.690 -0.602 7.215 1.00 0.00 O ATOM 845 CB VAL A 56 -2.707 0.288 4.159 1.00 0.00 C ATOM 846 CG1 VAL A 56 -3.187 -1.032 3.575 1.00 0.00 C ATOM 847 CG2 VAL A 56 -2.743 1.389 3.110 1.00 0.00 C ATOM 0 H VAL A 56 -2.047 1.922 6.133 1.00 0.00 H new ATOM 0 HA VAL A 56 -4.577 0.888 5.053 1.00 0.00 H new ATOM 0 HB VAL A 56 -1.674 0.160 4.483 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -2.573 -1.293 2.713 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -3.105 -1.815 4.329 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -4.227 -0.936 3.264 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -2.136 1.096 2.254 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -3.772 1.551 2.787 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -2.347 2.311 3.536 1.00 0.00 H new ATOM 857 N GLU A 57 -4.589 -1.334 6.255 1.00 0.00 N ATOM 858 CA GLU A 57 -4.720 -2.486 7.139 1.00 0.00 C ATOM 859 C GLU A 57 -5.251 -3.698 6.378 1.00 0.00 C ATOM 860 O GLU A 57 -6.362 -3.675 5.849 1.00 0.00 O ATOM 861 CB GLU A 57 -5.651 -2.156 8.308 1.00 0.00 C ATOM 862 CG GLU A 57 -5.850 -3.313 9.273 1.00 0.00 C ATOM 863 CD GLU A 57 -6.860 -2.999 10.360 1.00 0.00 C ATOM 864 OE1 GLU A 57 -6.873 -1.848 10.843 1.00 0.00 O ATOM 865 OE2 GLU A 57 -7.637 -3.906 10.727 1.00 0.00 O ATOM 0 H GLU A 57 -5.331 -1.249 5.560 1.00 0.00 H new ATOM 0 HA GLU A 57 -3.731 -2.728 7.528 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -5.247 -1.304 8.854 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -6.621 -1.851 7.914 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -6.180 -4.191 8.718 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -4.895 -3.567 9.732 1.00 0.00 H new ATOM 872 N VAL A 58 -4.447 -4.756 6.328 1.00 0.00 N ATOM 873 CA VAL A 58 -4.834 -5.977 5.633 1.00 0.00 C ATOM 874 C VAL A 58 -4.815 -7.175 6.575 1.00 0.00 C ATOM 875 O VAL A 58 -3.764 -7.556 7.090 1.00 0.00 O ATOM 876 CB VAL A 58 -3.904 -6.263 4.439 1.00 0.00 C ATOM 877 CG1 VAL A 58 -4.490 -7.351 3.552 1.00 0.00 C ATOM 878 CG2 VAL A 58 -3.655 -4.991 3.642 1.00 0.00 C ATOM 0 H VAL A 58 -3.524 -4.791 6.761 1.00 0.00 H new ATOM 0 HA VAL A 58 -5.848 -5.823 5.265 1.00 0.00 H new ATOM 0 HB VAL A 58 -2.948 -6.618 4.823 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -3.818 -7.538 2.714 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -4.612 -8.266 4.131 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -5.460 -7.029 3.174 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -2.996 -5.211 2.802 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -4.603 -4.605 3.268 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -3.187 -4.245 4.284 1.00 0.00 H new ATOM 888 N GLN A 59 -5.985 -7.766 6.797 1.00 0.00 N ATOM 889 CA GLN A 59 -6.102 -8.921 7.678 1.00 0.00 C ATOM 890 C GLN A 59 -5.654 -10.195 6.969 1.00 0.00 C ATOM 891 O GLN A 59 -5.821 -10.334 5.757 1.00 0.00 O ATOM 892 CB GLN A 59 -7.545 -9.075 8.163 1.00 0.00 C ATOM 893 CG GLN A 59 -8.063 -7.864 8.923 1.00 0.00 C ATOM 894 CD GLN A 59 -9.556 -7.932 9.180 1.00 0.00 C ATOM 895 OE1 GLN A 59 -10.103 -9.002 9.447 1.00 0.00 O ATOM 896 NE2 GLN A 59 -10.223 -6.786 9.101 1.00 0.00 N ATOM 0 H GLN A 59 -6.865 -7.464 6.379 1.00 0.00 H new ATOM 0 HA GLN A 59 -5.452 -8.757 8.537 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -8.191 -9.258 7.304 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -7.612 -9.953 8.805 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -7.537 -7.785 9.875 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -7.836 -6.960 8.357 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -9.729 -5.923 8.877 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -11.230 -6.769 9.265 1.00 0.00 H new ATOM 905 N ASP A 60 -5.084 -11.121 7.731 1.00 0.00 N ATOM 906 CA ASP A 60 -4.612 -12.384 7.176 1.00 0.00 C ATOM 907 C ASP A 60 -3.735 -12.145 5.951 1.00 0.00 C ATOM 908 O ASP A 60 -3.867 -12.832 4.937 1.00 0.00 O ATOM 909 CB ASP A 60 -5.796 -13.278 6.805 1.00 0.00 C ATOM 910 CG ASP A 60 -5.447 -14.752 6.852 1.00 0.00 C ATOM 911 OD1 ASP A 60 -5.339 -15.301 7.968 1.00 0.00 O ATOM 912 OD2 ASP A 60 -5.282 -15.357 5.772 1.00 0.00 O ATOM 0 H ASP A 60 -4.937 -11.021 8.735 1.00 0.00 H new ATOM 0 HA ASP A 60 -4.014 -12.885 7.937 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -6.623 -13.082 7.487 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -6.141 -13.021 5.803 1.00 0.00 H new ATOM 917 N SER A 61 -2.842 -11.166 6.050 1.00 0.00 N ATOM 918 CA SER A 61 -1.947 -10.833 4.948 1.00 0.00 C ATOM 919 C SER A 61 -1.449 -12.096 4.251 1.00 0.00 C ATOM 920 O SER A 61 -1.513 -13.192 4.808 1.00 0.00 O ATOM 921 CB SER A 61 -0.758 -10.016 5.458 1.00 0.00 C ATOM 922 OG SER A 61 0.121 -10.819 6.225 1.00 0.00 O ATOM 0 H SER A 61 -2.719 -10.589 6.882 1.00 0.00 H new ATOM 0 HA SER A 61 -2.506 -10.237 4.226 1.00 0.00 H new ATOM 0 HB2 SER A 61 -0.219 -9.586 4.614 1.00 0.00 H new ATOM 0 HB3 SER A 61 -1.117 -9.184 6.064 1.00 0.00 H new ATOM 0 HG SER A 61 0.873 -10.274 6.538 1.00 0.00 H new ATOM 928 N VAL A 62 -0.953 -11.933 3.029 1.00 0.00 N ATOM 929 CA VAL A 62 -0.443 -13.059 2.255 1.00 0.00 C ATOM 930 C VAL A 62 0.787 -12.659 1.449 1.00 0.00 C ATOM 931 O VAL A 62 1.050 -11.479 1.214 1.00 0.00 O ATOM 932 CB VAL A 62 -1.514 -13.612 1.296 1.00 0.00 C ATOM 933 CG1 VAL A 62 -2.314 -14.718 1.969 1.00 0.00 C ATOM 934 CG2 VAL A 62 -2.430 -12.495 0.819 1.00 0.00 C ATOM 0 H VAL A 62 -0.893 -11.033 2.553 1.00 0.00 H new ATOM 0 HA VAL A 62 -0.169 -13.836 2.969 1.00 0.00 H new ATOM 0 HB VAL A 62 -1.013 -14.037 0.426 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -3.066 -15.096 1.276 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -1.644 -15.529 2.256 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -2.806 -14.322 2.858 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -3.180 -12.904 0.142 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -2.925 -12.039 1.677 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -1.842 -11.741 0.296 1.00 0.00 H new ATOM 944 N PRO A 63 1.561 -13.664 1.013 1.00 0.00 N ATOM 945 CA PRO A 63 2.777 -13.442 0.225 1.00 0.00 C ATOM 946 C PRO A 63 2.472 -12.936 -1.181 1.00 0.00 C ATOM 947 O PRO A 63 3.378 -12.744 -1.991 1.00 0.00 O ATOM 948 CB PRO A 63 3.420 -14.830 0.166 1.00 0.00 C ATOM 949 CG PRO A 63 2.287 -15.780 0.342 1.00 0.00 C ATOM 950 CD PRO A 63 1.309 -15.094 1.255 1.00 0.00 C ATOM 0 HA PRO A 63 3.417 -12.679 0.669 1.00 0.00 H new ATOM 0 HB2 PRO A 63 3.928 -14.991 -0.785 1.00 0.00 H new ATOM 0 HB3 PRO A 63 4.166 -14.954 0.951 1.00 0.00 H new ATOM 0 HG2 PRO A 63 1.825 -16.018 -0.616 1.00 0.00 H new ATOM 0 HG3 PRO A 63 2.630 -16.721 0.773 1.00 0.00 H new ATOM 0 HD2 PRO A 63 0.280 -15.366 1.019 1.00 0.00 H new ATOM 0 HD3 PRO A 63 1.478 -15.361 2.298 1.00 0.00 H new ATOM 958 N ALA A 64 1.191 -12.723 -1.464 1.00 0.00 N ATOM 959 CA ALA A 64 0.768 -12.238 -2.771 1.00 0.00 C ATOM 960 C ALA A 64 0.430 -10.752 -2.722 1.00 0.00 C ATOM 961 O ALA A 64 0.484 -10.059 -3.738 1.00 0.00 O ATOM 962 CB ALA A 64 -0.427 -13.037 -3.269 1.00 0.00 C ATOM 0 H ALA A 64 0.428 -12.879 -0.805 1.00 0.00 H new ATOM 0 HA ALA A 64 1.596 -12.373 -3.467 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -0.732 -12.664 -4.247 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -0.153 -14.089 -3.352 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -1.253 -12.932 -2.566 1.00 0.00 H new ATOM 968 N ASP A 65 0.082 -10.268 -1.535 1.00 0.00 N ATOM 969 CA ASP A 65 -0.265 -8.863 -1.353 1.00 0.00 C ATOM 970 C ASP A 65 0.987 -8.019 -1.131 1.00 0.00 C ATOM 971 O ASP A 65 0.980 -6.810 -1.359 1.00 0.00 O ATOM 972 CB ASP A 65 -1.221 -8.701 -0.171 1.00 0.00 C ATOM 973 CG ASP A 65 -2.535 -9.426 -0.385 1.00 0.00 C ATOM 974 OD1 ASP A 65 -2.908 -9.644 -1.556 1.00 0.00 O ATOM 975 OD2 ASP A 65 -3.191 -9.775 0.620 1.00 0.00 O ATOM 0 H ASP A 65 0.033 -10.828 -0.684 1.00 0.00 H new ATOM 0 HA ASP A 65 -0.760 -8.515 -2.260 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -0.744 -9.079 0.733 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -1.417 -7.641 -0.008 1.00 0.00 H new ATOM 980 N SER A 66 2.059 -8.666 -0.684 1.00 0.00 N ATOM 981 CA SER A 66 3.316 -7.974 -0.426 1.00 0.00 C ATOM 982 C SER A 66 3.723 -7.122 -1.625 1.00 0.00 C ATOM 983 O SER A 66 3.045 -7.110 -2.651 1.00 0.00 O ATOM 984 CB SER A 66 4.421 -8.982 -0.105 1.00 0.00 C ATOM 985 OG SER A 66 4.641 -9.862 -1.193 1.00 0.00 O ATOM 0 H SER A 66 2.082 -9.668 -0.493 1.00 0.00 H new ATOM 0 HA SER A 66 3.171 -7.318 0.432 1.00 0.00 H new ATOM 0 HB2 SER A 66 5.344 -8.452 0.130 1.00 0.00 H new ATOM 0 HB3 SER A 66 4.148 -9.555 0.781 1.00 0.00 H new ATOM 0 HG SER A 66 4.036 -10.629 -1.121 1.00 0.00 H new ATOM 991 N GLY A 67 4.837 -6.409 -1.486 1.00 0.00 N ATOM 992 CA GLY A 67 5.316 -5.564 -2.564 1.00 0.00 C ATOM 993 C GLY A 67 5.832 -4.227 -2.067 1.00 0.00 C ATOM 994 O GLY A 67 6.200 -4.091 -0.900 1.00 0.00 O ATOM 0 H GLY A 67 5.416 -6.402 -0.646 1.00 0.00 H new ATOM 0 HA2 GLY A 67 6.112 -6.081 -3.100 1.00 0.00 H new ATOM 0 HA3 GLY A 67 4.508 -5.396 -3.276 1.00 0.00 H new ATOM 998 N LEU A 68 5.860 -3.239 -2.954 1.00 0.00 N ATOM 999 CA LEU A 68 6.336 -1.907 -2.601 1.00 0.00 C ATOM 1000 C LEU A 68 5.202 -0.888 -2.667 1.00 0.00 C ATOM 1001 O LEU A 68 4.827 -0.431 -3.746 1.00 0.00 O ATOM 1002 CB LEU A 68 7.471 -1.484 -3.535 1.00 0.00 C ATOM 1003 CG LEU A 68 8.125 -0.136 -3.230 1.00 0.00 C ATOM 1004 CD1 LEU A 68 8.915 -0.207 -1.932 1.00 0.00 C ATOM 1005 CD2 LEU A 68 9.024 0.293 -4.381 1.00 0.00 C ATOM 0 H LEU A 68 5.558 -3.335 -3.924 1.00 0.00 H new ATOM 0 HA LEU A 68 6.710 -1.942 -1.578 1.00 0.00 H new ATOM 0 HB2 LEU A 68 8.242 -2.254 -3.508 1.00 0.00 H new ATOM 0 HB3 LEU A 68 7.085 -1.455 -4.554 1.00 0.00 H new ATOM 0 HG LEU A 68 7.338 0.609 -3.112 1.00 0.00 H new ATOM 0 HD11 LEU A 68 9.373 0.761 -1.732 1.00 0.00 H new ATOM 0 HD12 LEU A 68 8.246 -0.468 -1.112 1.00 0.00 H new ATOM 0 HD13 LEU A 68 9.693 -0.965 -2.021 1.00 0.00 H new ATOM 0 HD21 LEU A 68 9.481 1.254 -4.147 1.00 0.00 H new ATOM 0 HD22 LEU A 68 9.804 -0.453 -4.531 1.00 0.00 H new ATOM 0 HD23 LEU A 68 8.431 0.385 -5.291 1.00 0.00 H new ATOM 1017 N TYR A 69 4.663 -0.536 -1.505 1.00 0.00 N ATOM 1018 CA TYR A 69 3.572 0.429 -1.431 1.00 0.00 C ATOM 1019 C TYR A 69 4.103 1.858 -1.489 1.00 0.00 C ATOM 1020 O TYR A 69 5.173 2.156 -0.960 1.00 0.00 O ATOM 1021 CB TYR A 69 2.768 0.223 -0.146 1.00 0.00 C ATOM 1022 CG TYR A 69 2.074 -1.118 -0.073 1.00 0.00 C ATOM 1023 CD1 TYR A 69 2.803 -2.292 0.074 1.00 0.00 C ATOM 1024 CD2 TYR A 69 0.690 -1.212 -0.151 1.00 0.00 C ATOM 1025 CE1 TYR A 69 2.173 -3.520 0.140 1.00 0.00 C ATOM 1026 CE2 TYR A 69 0.052 -2.435 -0.085 1.00 0.00 C ATOM 1027 CZ TYR A 69 0.798 -3.587 0.060 1.00 0.00 C ATOM 1028 OH TYR A 69 0.167 -4.808 0.127 1.00 0.00 O ATOM 0 H TYR A 69 4.963 -0.904 -0.602 1.00 0.00 H new ATOM 0 HA TYR A 69 2.920 0.269 -2.290 1.00 0.00 H new ATOM 0 HB2 TYR A 69 3.435 0.324 0.710 1.00 0.00 H new ATOM 0 HB3 TYR A 69 2.022 1.013 -0.064 1.00 0.00 H new ATOM 0 HD1 TYR A 69 3.880 -2.244 0.138 1.00 0.00 H new ATOM 0 HD2 TYR A 69 0.103 -0.313 -0.265 1.00 0.00 H new ATOM 0 HE1 TYR A 69 2.755 -4.423 0.254 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -1.025 -2.490 -0.147 1.00 0.00 H new ATOM 0 HH TYR A 69 0.761 -5.503 -0.226 1.00 0.00 H new ATOM 1038 N ALA A 70 3.346 2.738 -2.136 1.00 0.00 N ATOM 1039 CA ALA A 70 3.737 4.136 -2.261 1.00 0.00 C ATOM 1040 C ALA A 70 2.536 5.060 -2.091 1.00 0.00 C ATOM 1041 O ALA A 70 1.583 5.005 -2.868 1.00 0.00 O ATOM 1042 CB ALA A 70 4.405 4.378 -3.607 1.00 0.00 C ATOM 0 H ALA A 70 2.458 2.507 -2.582 1.00 0.00 H new ATOM 0 HA ALA A 70 4.450 4.361 -1.467 1.00 0.00 H new ATOM 0 HB1 ALA A 70 4.692 5.426 -3.687 1.00 0.00 H new ATOM 0 HB2 ALA A 70 5.293 3.751 -3.691 1.00 0.00 H new ATOM 0 HB3 ALA A 70 3.709 4.130 -4.408 1.00 0.00 H new ATOM 1048 N CYS A 71 2.589 5.908 -1.069 1.00 0.00 N ATOM 1049 CA CYS A 71 1.505 6.844 -0.795 1.00 0.00 C ATOM 1050 C CYS A 71 1.851 8.241 -1.302 1.00 0.00 C ATOM 1051 O CYS A 71 2.891 8.800 -0.952 1.00 0.00 O ATOM 1052 CB CYS A 71 1.211 6.892 0.706 1.00 0.00 C ATOM 1053 SG CYS A 71 2.326 7.983 1.647 1.00 0.00 S ATOM 0 H CYS A 71 3.371 5.966 -0.417 1.00 0.00 H new ATOM 0 HA CYS A 71 0.616 6.496 -1.321 1.00 0.00 H new ATOM 0 HB2 CYS A 71 0.184 7.225 0.854 1.00 0.00 H new ATOM 0 HB3 CYS A 71 1.280 5.883 1.111 1.00 0.00 H new ATOM 1058 N VAL A 72 0.972 8.800 -2.127 1.00 0.00 N ATOM 1059 CA VAL A 72 1.183 10.132 -2.682 1.00 0.00 C ATOM 1060 C VAL A 72 0.109 11.102 -2.205 1.00 0.00 C ATOM 1061 O VAL A 72 -1.081 10.900 -2.451 1.00 0.00 O ATOM 1062 CB VAL A 72 1.188 10.105 -4.222 1.00 0.00 C ATOM 1063 CG1 VAL A 72 1.596 11.460 -4.778 1.00 0.00 C ATOM 1064 CG2 VAL A 72 2.112 9.009 -4.732 1.00 0.00 C ATOM 0 H VAL A 72 0.106 8.351 -2.426 1.00 0.00 H new ATOM 0 HA VAL A 72 2.157 10.471 -2.329 1.00 0.00 H new ATOM 0 HB VAL A 72 0.178 9.887 -4.568 1.00 0.00 H new ATOM 0 HG11 VAL A 72 1.594 11.422 -5.867 1.00 0.00 H new ATOM 0 HG12 VAL A 72 0.891 12.219 -4.440 1.00 0.00 H new ATOM 0 HG13 VAL A 72 2.596 11.712 -4.426 1.00 0.00 H new ATOM 0 HG21 VAL A 72 2.104 9.004 -5.822 1.00 0.00 H new ATOM 0 HG22 VAL A 72 3.126 9.194 -4.378 1.00 0.00 H new ATOM 0 HG23 VAL A 72 1.769 8.043 -4.362 1.00 0.00 H new ATOM 1074 N THR A 73 0.535 12.159 -1.520 1.00 0.00 N ATOM 1075 CA THR A 73 -0.390 13.162 -1.007 1.00 0.00 C ATOM 1076 C THR A 73 -0.418 14.394 -1.904 1.00 0.00 C ATOM 1077 O THR A 73 0.627 14.944 -2.252 1.00 0.00 O ATOM 1078 CB THR A 73 -0.017 13.591 0.424 1.00 0.00 C ATOM 1079 OG1 THR A 73 1.144 14.428 0.398 1.00 0.00 O ATOM 1080 CG2 THR A 73 0.247 12.376 1.302 1.00 0.00 C ATOM 0 H THR A 73 1.516 12.342 -1.308 1.00 0.00 H new ATOM 0 HA THR A 73 -1.378 12.703 -0.994 1.00 0.00 H new ATOM 0 HB THR A 73 -0.856 14.147 0.843 1.00 0.00 H new ATOM 0 HG1 THR A 73 1.320 14.715 -0.522 1.00 0.00 H new ATOM 0 HG21 THR A 73 0.509 12.704 2.308 1.00 0.00 H new ATOM 0 HG22 THR A 73 -0.648 11.756 1.344 1.00 0.00 H new ATOM 0 HG23 THR A 73 1.070 11.797 0.884 1.00 0.00 H new ATOM 1088 N SER A 74 -1.620 14.823 -2.275 1.00 0.00 N ATOM 1089 CA SER A 74 -1.783 15.990 -3.134 1.00 0.00 C ATOM 1090 C SER A 74 -1.913 17.263 -2.303 1.00 0.00 C ATOM 1091 O SER A 74 -2.851 17.413 -1.521 1.00 0.00 O ATOM 1092 CB SER A 74 -3.014 15.823 -4.028 1.00 0.00 C ATOM 1093 OG SER A 74 -2.836 14.759 -4.947 1.00 0.00 O ATOM 0 H SER A 74 -2.495 14.380 -1.994 1.00 0.00 H new ATOM 0 HA SER A 74 -0.896 16.076 -3.761 1.00 0.00 H new ATOM 0 HB2 SER A 74 -3.892 15.632 -3.411 1.00 0.00 H new ATOM 0 HB3 SER A 74 -3.201 16.749 -4.571 1.00 0.00 H new ATOM 0 HG SER A 74 -3.637 14.672 -5.505 1.00 0.00 H new ATOM 1099 N SER A 75 -0.965 18.177 -2.480 1.00 0.00 N ATOM 1100 CA SER A 75 -0.970 19.436 -1.745 1.00 0.00 C ATOM 1101 C SER A 75 -0.880 20.623 -2.699 1.00 0.00 C ATOM 1102 O SER A 75 -0.370 20.518 -3.815 1.00 0.00 O ATOM 1103 CB SER A 75 0.194 19.476 -0.752 1.00 0.00 C ATOM 1104 OG SER A 75 1.429 19.241 -1.406 1.00 0.00 O ATOM 0 H SER A 75 -0.183 18.069 -3.126 1.00 0.00 H new ATOM 0 HA SER A 75 -1.909 19.504 -1.196 1.00 0.00 H new ATOM 0 HB2 SER A 75 0.220 20.446 -0.256 1.00 0.00 H new ATOM 0 HB3 SER A 75 0.041 18.726 0.024 1.00 0.00 H new ATOM 0 HG SER A 75 1.276 19.148 -2.370 1.00 0.00 H new ATOM 1110 N PRO A 76 -1.388 21.781 -2.251 1.00 0.00 N ATOM 1111 CA PRO A 76 -1.377 23.011 -3.049 1.00 0.00 C ATOM 1112 C PRO A 76 0.027 23.580 -3.218 1.00 0.00 C ATOM 1113 O PRO A 76 0.210 24.637 -3.821 1.00 0.00 O ATOM 1114 CB PRO A 76 -2.248 23.970 -2.233 1.00 0.00 C ATOM 1115 CG PRO A 76 -2.149 23.472 -0.832 1.00 0.00 C ATOM 1116 CD PRO A 76 -2.011 21.978 -0.932 1.00 0.00 C ATOM 0 HA PRO A 76 -1.739 22.842 -4.063 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -1.890 24.996 -2.315 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -3.280 23.963 -2.584 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -1.291 23.910 -0.322 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -3.034 23.744 -0.258 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -1.390 21.577 -0.131 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -2.978 21.480 -0.866 1.00 0.00 H new ATOM 1124 N SER A 77 1.016 22.871 -2.683 1.00 0.00 N ATOM 1125 CA SER A 77 2.405 23.307 -2.773 1.00 0.00 C ATOM 1126 C SER A 77 3.253 22.273 -3.506 1.00 0.00 C ATOM 1127 O SER A 77 4.419 22.515 -3.814 1.00 0.00 O ATOM 1128 CB SER A 77 2.975 23.554 -1.375 1.00 0.00 C ATOM 1129 OG SER A 77 4.100 24.414 -1.428 1.00 0.00 O ATOM 0 H SER A 77 0.881 21.992 -2.183 1.00 0.00 H new ATOM 0 HA SER A 77 2.432 24.239 -3.338 1.00 0.00 H new ATOM 0 HB2 SER A 77 2.207 23.993 -0.738 1.00 0.00 H new ATOM 0 HB3 SER A 77 3.260 22.604 -0.922 1.00 0.00 H new ATOM 0 HG SER A 77 4.644 24.193 -2.212 1.00 0.00 H new ATOM 1135 N GLY A 78 2.657 21.116 -3.783 1.00 0.00 N ATOM 1136 CA GLY A 78 3.372 20.061 -4.477 1.00 0.00 C ATOM 1137 C GLY A 78 2.757 18.695 -4.245 1.00 0.00 C ATOM 1138 O GLY A 78 1.535 18.557 -4.197 1.00 0.00 O ATOM 0 H GLY A 78 1.692 20.891 -3.539 1.00 0.00 H new ATOM 0 HA2 GLY A 78 3.382 20.275 -5.546 1.00 0.00 H new ATOM 0 HA3 GLY A 78 4.410 20.050 -4.145 1.00 0.00 H new ATOM 1142 N SER A 79 3.606 17.682 -4.104 1.00 0.00 N ATOM 1143 CA SER A 79 3.138 16.319 -3.882 1.00 0.00 C ATOM 1144 C SER A 79 4.262 15.441 -3.339 1.00 0.00 C ATOM 1145 O SER A 79 5.279 15.235 -4.001 1.00 0.00 O ATOM 1146 CB SER A 79 2.596 15.725 -5.183 1.00 0.00 C ATOM 1147 OG SER A 79 3.383 16.122 -6.292 1.00 0.00 O ATOM 0 H SER A 79 4.621 17.779 -4.140 1.00 0.00 H new ATOM 0 HA SER A 79 2.336 16.352 -3.144 1.00 0.00 H new ATOM 0 HB2 SER A 79 2.584 14.637 -5.112 1.00 0.00 H new ATOM 0 HB3 SER A 79 1.565 16.046 -5.331 1.00 0.00 H new ATOM 0 HG SER A 79 3.017 15.728 -7.111 1.00 0.00 H new ATOM 1153 N ASP A 80 4.070 14.927 -2.129 1.00 0.00 N ATOM 1154 CA ASP A 80 5.066 14.070 -1.495 1.00 0.00 C ATOM 1155 C ASP A 80 4.797 12.602 -1.809 1.00 0.00 C ATOM 1156 O ASP A 80 3.774 12.259 -2.403 1.00 0.00 O ATOM 1157 CB ASP A 80 5.068 14.289 0.019 1.00 0.00 C ATOM 1158 CG ASP A 80 6.440 14.081 0.631 1.00 0.00 C ATOM 1159 OD1 ASP A 80 7.444 14.290 -0.081 1.00 0.00 O ATOM 1160 OD2 ASP A 80 6.508 13.710 1.821 1.00 0.00 O ATOM 0 H ASP A 80 3.234 15.089 -1.567 1.00 0.00 H new ATOM 0 HA ASP A 80 6.045 14.335 -1.894 1.00 0.00 H new ATOM 0 HB2 ASP A 80 4.725 15.300 0.238 1.00 0.00 H new ATOM 0 HB3 ASP A 80 4.358 13.604 0.483 1.00 0.00 H new ATOM 1165 N THR A 81 5.724 11.737 -1.408 1.00 0.00 N ATOM 1166 CA THR A 81 5.590 10.306 -1.648 1.00 0.00 C ATOM 1167 C THR A 81 6.310 9.498 -0.575 1.00 0.00 C ATOM 1168 O THR A 81 7.413 9.848 -0.154 1.00 0.00 O ATOM 1169 CB THR A 81 6.146 9.913 -3.030 1.00 0.00 C ATOM 1170 OG1 THR A 81 5.618 10.785 -4.036 1.00 0.00 O ATOM 1171 CG2 THR A 81 5.795 8.472 -3.365 1.00 0.00 C ATOM 0 H THR A 81 6.576 12.004 -0.915 1.00 0.00 H new ATOM 0 HA THR A 81 4.524 10.079 -1.615 1.00 0.00 H new ATOM 0 HB THR A 81 7.231 10.008 -3.001 1.00 0.00 H new ATOM 0 HG1 THR A 81 5.977 10.530 -4.911 1.00 0.00 H new ATOM 0 HG21 THR A 81 6.198 8.218 -4.345 1.00 0.00 H new ATOM 0 HG22 THR A 81 6.223 7.809 -2.613 1.00 0.00 H new ATOM 0 HG23 THR A 81 4.711 8.355 -3.377 1.00 0.00 H new ATOM 1179 N THR A 82 5.680 8.414 -0.134 1.00 0.00 N ATOM 1180 CA THR A 82 6.260 7.556 0.891 1.00 0.00 C ATOM 1181 C THR A 82 6.199 6.089 0.480 1.00 0.00 C ATOM 1182 O THR A 82 5.122 5.549 0.231 1.00 0.00 O ATOM 1183 CB THR A 82 5.541 7.729 2.242 1.00 0.00 C ATOM 1184 OG1 THR A 82 5.104 9.084 2.395 1.00 0.00 O ATOM 1185 CG2 THR A 82 6.459 7.354 3.396 1.00 0.00 C ATOM 0 H THR A 82 4.767 8.109 -0.471 1.00 0.00 H new ATOM 0 HA THR A 82 7.302 7.857 1.001 1.00 0.00 H new ATOM 0 HB THR A 82 4.677 7.065 2.255 1.00 0.00 H new ATOM 0 HG1 THR A 82 4.143 9.140 2.212 1.00 0.00 H new ATOM 0 HG21 THR A 82 5.929 7.484 4.340 1.00 0.00 H new ATOM 0 HG22 THR A 82 6.766 6.313 3.293 1.00 0.00 H new ATOM 0 HG23 THR A 82 7.340 7.995 3.383 1.00 0.00 H new ATOM 1193 N TYR A 83 7.362 5.450 0.413 1.00 0.00 N ATOM 1194 CA TYR A 83 7.440 4.045 0.030 1.00 0.00 C ATOM 1195 C TYR A 83 7.424 3.144 1.261 1.00 0.00 C ATOM 1196 O TYR A 83 7.784 3.566 2.360 1.00 0.00 O ATOM 1197 CB TYR A 83 8.707 3.788 -0.788 1.00 0.00 C ATOM 1198 CG TYR A 83 8.673 4.405 -2.168 1.00 0.00 C ATOM 1199 CD1 TYR A 83 8.172 3.697 -3.254 1.00 0.00 C ATOM 1200 CD2 TYR A 83 9.141 5.694 -2.386 1.00 0.00 C ATOM 1201 CE1 TYR A 83 8.140 4.256 -4.517 1.00 0.00 C ATOM 1202 CE2 TYR A 83 9.111 6.262 -3.645 1.00 0.00 C ATOM 1203 CZ TYR A 83 8.609 5.539 -4.707 1.00 0.00 C ATOM 1204 OH TYR A 83 8.579 6.100 -5.963 1.00 0.00 O ATOM 0 H TYR A 83 8.263 5.882 0.619 1.00 0.00 H new ATOM 0 HA TYR A 83 6.568 3.811 -0.580 1.00 0.00 H new ATOM 0 HB2 TYR A 83 9.566 4.181 -0.245 1.00 0.00 H new ATOM 0 HB3 TYR A 83 8.856 2.712 -0.884 1.00 0.00 H new ATOM 0 HD1 TYR A 83 7.802 2.693 -3.108 1.00 0.00 H new ATOM 0 HD2 TYR A 83 9.535 6.263 -1.557 1.00 0.00 H new ATOM 0 HE1 TYR A 83 7.750 3.691 -5.351 1.00 0.00 H new ATOM 0 HE2 TYR A 83 9.478 7.266 -3.797 1.00 0.00 H new ATOM 0 HH TYR A 83 8.945 7.008 -5.924 1.00 0.00 H new ATOM 1214 N PHE A 84 7.004 1.898 1.068 1.00 0.00 N ATOM 1215 CA PHE A 84 6.939 0.935 2.161 1.00 0.00 C ATOM 1216 C PHE A 84 7.194 -0.482 1.653 1.00 0.00 C ATOM 1217 O PHE A 84 6.346 -1.075 0.987 1.00 0.00 O ATOM 1218 CB PHE A 84 5.575 1.004 2.850 1.00 0.00 C ATOM 1219 CG PHE A 84 5.112 2.407 3.123 1.00 0.00 C ATOM 1220 CD1 PHE A 84 4.452 3.134 2.146 1.00 0.00 C ATOM 1221 CD2 PHE A 84 5.337 2.998 4.356 1.00 0.00 C ATOM 1222 CE1 PHE A 84 4.025 4.425 2.394 1.00 0.00 C ATOM 1223 CE2 PHE A 84 4.912 4.288 4.609 1.00 0.00 C ATOM 1224 CZ PHE A 84 4.255 5.003 3.627 1.00 0.00 C ATOM 0 H PHE A 84 6.704 1.532 0.165 1.00 0.00 H new ATOM 0 HA PHE A 84 7.716 1.189 2.882 1.00 0.00 H new ATOM 0 HB2 PHE A 84 4.836 0.501 2.227 1.00 0.00 H new ATOM 0 HB3 PHE A 84 5.624 0.456 3.791 1.00 0.00 H new ATOM 0 HD1 PHE A 84 4.269 2.687 1.180 1.00 0.00 H new ATOM 0 HD2 PHE A 84 5.850 2.444 5.128 1.00 0.00 H new ATOM 0 HE1 PHE A 84 3.512 4.982 1.624 1.00 0.00 H new ATOM 0 HE2 PHE A 84 5.093 4.737 5.574 1.00 0.00 H new ATOM 0 HZ PHE A 84 3.922 6.012 3.823 1.00 0.00 H new ATOM 1234 N SER A 85 8.367 -1.017 1.973 1.00 0.00 N ATOM 1235 CA SER A 85 8.736 -2.362 1.547 1.00 0.00 C ATOM 1236 C SER A 85 8.083 -3.413 2.439 1.00 0.00 C ATOM 1237 O SER A 85 8.451 -3.571 3.603 1.00 0.00 O ATOM 1238 CB SER A 85 10.257 -2.529 1.572 1.00 0.00 C ATOM 1239 OG SER A 85 10.618 -3.889 1.738 1.00 0.00 O ATOM 0 H SER A 85 9.079 -0.540 2.526 1.00 0.00 H new ATOM 0 HA SER A 85 8.379 -2.504 0.527 1.00 0.00 H new ATOM 0 HB2 SER A 85 10.683 -2.147 0.644 1.00 0.00 H new ATOM 0 HB3 SER A 85 10.678 -1.936 2.384 1.00 0.00 H new ATOM 0 HG SER A 85 11.595 -3.969 1.749 1.00 0.00 H new ATOM 1245 N VAL A 86 7.111 -4.130 1.884 1.00 0.00 N ATOM 1246 CA VAL A 86 6.406 -5.167 2.627 1.00 0.00 C ATOM 1247 C VAL A 86 6.827 -6.557 2.165 1.00 0.00 C ATOM 1248 O VAL A 86 7.158 -6.761 0.998 1.00 0.00 O ATOM 1249 CB VAL A 86 4.880 -5.028 2.475 1.00 0.00 C ATOM 1250 CG1 VAL A 86 4.165 -6.153 3.209 1.00 0.00 C ATOM 1251 CG2 VAL A 86 4.416 -3.671 2.981 1.00 0.00 C ATOM 0 H VAL A 86 6.794 -4.011 0.922 1.00 0.00 H new ATOM 0 HA VAL A 86 6.672 -5.040 3.676 1.00 0.00 H new ATOM 0 HB VAL A 86 4.630 -5.101 1.417 1.00 0.00 H new ATOM 0 HG11 VAL A 86 3.088 -6.038 3.090 1.00 0.00 H new ATOM 0 HG12 VAL A 86 4.475 -7.112 2.795 1.00 0.00 H new ATOM 0 HG13 VAL A 86 4.419 -6.116 4.268 1.00 0.00 H new ATOM 0 HG21 VAL A 86 3.335 -3.590 2.866 1.00 0.00 H new ATOM 0 HG22 VAL A 86 4.678 -3.566 4.034 1.00 0.00 H new ATOM 0 HG23 VAL A 86 4.902 -2.883 2.406 1.00 0.00 H new ATOM 1261 N ASN A 87 6.813 -7.512 3.090 1.00 0.00 N ATOM 1262 CA ASN A 87 7.194 -8.885 2.777 1.00 0.00 C ATOM 1263 C ASN A 87 6.415 -9.875 3.637 1.00 0.00 C ATOM 1264 O ASN A 87 6.695 -10.036 4.825 1.00 0.00 O ATOM 1265 CB ASN A 87 8.697 -9.080 2.988 1.00 0.00 C ATOM 1266 CG ASN A 87 9.279 -10.132 2.064 1.00 0.00 C ATOM 1267 OD1 ASN A 87 9.288 -9.966 0.844 1.00 0.00 O ATOM 1268 ND2 ASN A 87 9.769 -11.222 2.643 1.00 0.00 N ATOM 0 H ASN A 87 6.542 -7.360 4.062 1.00 0.00 H new ATOM 0 HA ASN A 87 6.954 -9.073 1.731 1.00 0.00 H new ATOM 0 HB2 ASN A 87 9.210 -8.132 2.824 1.00 0.00 H new ATOM 0 HB3 ASN A 87 8.882 -9.367 4.023 1.00 0.00 H new ATOM 0 HD21 ASN A 87 10.174 -11.964 2.073 1.00 0.00 H new ATOM 0 HD22 ASN A 87 9.740 -11.317 3.658 1.00 0.00 H new ATOM 1275 N VAL A 88 5.436 -10.537 3.029 1.00 0.00 N ATOM 1276 CA VAL A 88 4.617 -11.513 3.738 1.00 0.00 C ATOM 1277 C VAL A 88 5.067 -12.936 3.428 1.00 0.00 C ATOM 1278 O VAL A 88 4.978 -13.392 2.288 1.00 0.00 O ATOM 1279 CB VAL A 88 3.128 -11.366 3.374 1.00 0.00 C ATOM 1280 CG1 VAL A 88 2.279 -12.319 4.203 1.00 0.00 C ATOM 1281 CG2 VAL A 88 2.672 -9.928 3.567 1.00 0.00 C ATOM 0 H VAL A 88 5.191 -10.415 2.046 1.00 0.00 H new ATOM 0 HA VAL A 88 4.744 -11.319 4.803 1.00 0.00 H new ATOM 0 HB VAL A 88 3.001 -11.625 2.323 1.00 0.00 H new ATOM 0 HG11 VAL A 88 1.230 -12.201 3.932 1.00 0.00 H new ATOM 0 HG12 VAL A 88 2.590 -13.346 4.010 1.00 0.00 H new ATOM 0 HG13 VAL A 88 2.408 -12.094 5.262 1.00 0.00 H new ATOM 0 HG21 VAL A 88 1.617 -9.842 3.305 1.00 0.00 H new ATOM 0 HG22 VAL A 88 2.812 -9.639 4.609 1.00 0.00 H new ATOM 0 HG23 VAL A 88 3.259 -9.271 2.926 1.00 0.00 H new ATOM 1291 N SER A 89 5.550 -13.635 4.450 1.00 0.00 N ATOM 1292 CA SER A 89 6.017 -15.006 4.287 1.00 0.00 C ATOM 1293 C SER A 89 6.010 -15.745 5.621 1.00 0.00 C ATOM 1294 O SER A 89 6.321 -15.170 6.664 1.00 0.00 O ATOM 1295 CB SER A 89 7.426 -15.020 3.690 1.00 0.00 C ATOM 1296 OG SER A 89 7.750 -16.301 3.179 1.00 0.00 O ATOM 0 H SER A 89 5.628 -13.274 5.401 1.00 0.00 H new ATOM 0 HA SER A 89 5.336 -15.517 3.606 1.00 0.00 H new ATOM 0 HB2 SER A 89 7.494 -14.279 2.893 1.00 0.00 H new ATOM 0 HB3 SER A 89 8.151 -14.735 4.453 1.00 0.00 H new ATOM 0 HG SER A 89 8.654 -16.284 2.802 1.00 0.00 H new ATOM 1302 N ASP A 90 5.653 -17.024 5.580 1.00 0.00 N ATOM 1303 CA ASP A 90 5.606 -17.844 6.785 1.00 0.00 C ATOM 1304 C ASP A 90 6.988 -17.954 7.422 1.00 0.00 C ATOM 1305 O ASP A 90 7.111 -18.188 8.624 1.00 0.00 O ATOM 1306 CB ASP A 90 5.068 -19.238 6.459 1.00 0.00 C ATOM 1307 CG ASP A 90 6.154 -20.178 5.971 1.00 0.00 C ATOM 1308 OD1 ASP A 90 6.615 -20.006 4.823 1.00 0.00 O ATOM 1309 OD2 ASP A 90 6.542 -21.083 6.738 1.00 0.00 O ATOM 0 H ASP A 90 5.392 -17.515 4.725 1.00 0.00 H new ATOM 0 HA ASP A 90 4.935 -17.362 7.496 1.00 0.00 H new ATOM 0 HB2 ASP A 90 4.598 -19.660 7.347 1.00 0.00 H new ATOM 0 HB3 ASP A 90 4.293 -19.156 5.697 1.00 0.00 H new ATOM 1314 N ALA A 91 8.024 -17.785 6.607 1.00 0.00 N ATOM 1315 CA ALA A 91 9.397 -17.865 7.091 1.00 0.00 C ATOM 1316 C ALA A 91 9.861 -16.523 7.648 1.00 0.00 C ATOM 1317 O ALA A 91 9.864 -15.514 6.942 1.00 0.00 O ATOM 1318 CB ALA A 91 10.323 -18.325 5.975 1.00 0.00 C ATOM 0 H ALA A 91 7.939 -17.592 5.609 1.00 0.00 H new ATOM 0 HA ALA A 91 9.430 -18.595 7.900 1.00 0.00 H new ATOM 0 HB1 ALA A 91 11.345 -18.380 6.350 1.00 0.00 H new ATOM 0 HB2 ALA A 91 10.011 -19.309 5.626 1.00 0.00 H new ATOM 0 HB3 ALA A 91 10.278 -17.615 5.149 1.00 0.00 H new ATOM 1324 N LEU A 92 10.253 -16.519 8.917 1.00 0.00 N ATOM 1325 CA LEU A 92 10.720 -15.300 9.569 1.00 0.00 C ATOM 1326 C LEU A 92 12.147 -15.468 10.080 1.00 0.00 C ATOM 1327 O LEU A 92 12.591 -16.570 10.403 1.00 0.00 O ATOM 1328 CB LEU A 92 9.791 -14.931 10.727 1.00 0.00 C ATOM 1329 CG LEU A 92 8.434 -14.343 10.339 1.00 0.00 C ATOM 1330 CD1 LEU A 92 7.463 -15.449 9.958 1.00 0.00 C ATOM 1331 CD2 LEU A 92 7.871 -13.504 11.476 1.00 0.00 C ATOM 0 H LEU A 92 10.257 -17.345 9.515 1.00 0.00 H new ATOM 0 HA LEU A 92 10.710 -14.496 8.833 1.00 0.00 H new ATOM 0 HB2 LEU A 92 9.619 -15.825 11.327 1.00 0.00 H new ATOM 0 HB3 LEU A 92 10.306 -14.213 11.365 1.00 0.00 H new ATOM 0 HG LEU A 92 8.574 -13.696 9.473 1.00 0.00 H new ATOM 0 HD11 LEU A 92 6.503 -15.012 9.685 1.00 0.00 H new ATOM 0 HD12 LEU A 92 7.862 -16.007 9.111 1.00 0.00 H new ATOM 0 HD13 LEU A 92 7.328 -16.122 10.805 1.00 0.00 H new ATOM 0 HD21 LEU A 92 6.905 -13.094 11.182 1.00 0.00 H new ATOM 0 HD22 LEU A 92 7.746 -14.128 12.361 1.00 0.00 H new ATOM 0 HD23 LEU A 92 8.558 -12.688 11.701 1.00 0.00 H new ATOM 1343 N PRO A 93 12.884 -14.350 10.158 1.00 0.00 N ATOM 1344 CA PRO A 93 14.271 -14.347 10.632 1.00 0.00 C ATOM 1345 C PRO A 93 14.373 -14.635 12.126 1.00 0.00 C ATOM 1346 O PRO A 93 15.431 -15.024 12.621 1.00 0.00 O ATOM 1347 CB PRO A 93 14.746 -12.924 10.328 1.00 0.00 C ATOM 1348 CG PRO A 93 13.503 -12.103 10.316 1.00 0.00 C ATOM 1349 CD PRO A 93 12.419 -13.002 9.789 1.00 0.00 C ATOM 0 HA PRO A 93 14.868 -15.122 10.152 1.00 0.00 H new ATOM 0 HB2 PRO A 93 15.446 -12.571 11.085 1.00 0.00 H new ATOM 0 HB3 PRO A 93 15.262 -12.875 9.369 1.00 0.00 H new ATOM 0 HG2 PRO A 93 13.261 -11.746 11.317 1.00 0.00 H new ATOM 0 HG3 PRO A 93 13.622 -11.223 9.684 1.00 0.00 H new ATOM 0 HD2 PRO A 93 11.453 -12.773 10.239 1.00 0.00 H new ATOM 0 HD3 PRO A 93 12.301 -12.899 8.710 1.00 0.00 H new ATOM 1357 N SER A 94 13.268 -14.443 12.838 1.00 0.00 N ATOM 1358 CA SER A 94 13.235 -14.679 14.277 1.00 0.00 C ATOM 1359 C SER A 94 14.055 -15.912 14.643 1.00 0.00 C ATOM 1360 O SER A 94 13.860 -16.990 14.083 1.00 0.00 O ATOM 1361 CB SER A 94 11.792 -14.852 14.754 1.00 0.00 C ATOM 1362 OG SER A 94 11.748 -15.267 16.108 1.00 0.00 O ATOM 0 H SER A 94 12.383 -14.125 12.442 1.00 0.00 H new ATOM 0 HA SER A 94 13.672 -13.812 14.773 1.00 0.00 H new ATOM 0 HB2 SER A 94 11.253 -13.911 14.641 1.00 0.00 H new ATOM 0 HB3 SER A 94 11.285 -15.587 14.129 1.00 0.00 H new ATOM 0 HG SER A 94 10.815 -15.369 16.389 1.00 0.00 H new ATOM 1368 N GLY A 95 14.974 -15.745 15.590 1.00 0.00 N ATOM 1369 CA GLY A 95 15.810 -16.852 16.016 1.00 0.00 C ATOM 1370 C GLY A 95 15.004 -18.091 16.353 1.00 0.00 C ATOM 1371 O GLY A 95 14.204 -18.101 17.289 1.00 0.00 O ATOM 0 H GLY A 95 15.154 -14.863 16.069 1.00 0.00 H new ATOM 0 HA2 GLY A 95 16.523 -17.090 15.226 1.00 0.00 H new ATOM 0 HA3 GLY A 95 16.390 -16.551 16.889 1.00 0.00 H new ATOM 1375 N PRO A 96 15.212 -19.165 15.578 1.00 0.00 N ATOM 1376 CA PRO A 96 14.507 -20.435 15.779 1.00 0.00 C ATOM 1377 C PRO A 96 14.949 -21.147 17.053 1.00 0.00 C ATOM 1378 O PRO A 96 15.726 -20.607 17.840 1.00 0.00 O ATOM 1379 CB PRO A 96 14.895 -21.255 14.546 1.00 0.00 C ATOM 1380 CG PRO A 96 16.202 -20.689 14.110 1.00 0.00 C ATOM 1381 CD PRO A 96 16.151 -19.224 14.445 1.00 0.00 C ATOM 0 HA PRO A 96 13.432 -20.292 15.891 1.00 0.00 H new ATOM 0 HB2 PRO A 96 14.983 -22.314 14.787 1.00 0.00 H new ATOM 0 HB3 PRO A 96 14.144 -21.168 13.761 1.00 0.00 H new ATOM 0 HG2 PRO A 96 17.030 -21.178 14.623 1.00 0.00 H new ATOM 0 HG3 PRO A 96 16.356 -20.840 13.041 1.00 0.00 H new ATOM 0 HD2 PRO A 96 17.134 -18.840 14.717 1.00 0.00 H new ATOM 0 HD3 PRO A 96 15.800 -18.631 13.601 1.00 0.00 H new ATOM 1389 N SER A 97 14.448 -22.363 17.250 1.00 0.00 N ATOM 1390 CA SER A 97 14.788 -23.148 18.431 1.00 0.00 C ATOM 1391 C SER A 97 15.563 -24.404 18.043 1.00 0.00 C ATOM 1392 O SER A 97 16.720 -24.576 18.428 1.00 0.00 O ATOM 1393 CB SER A 97 13.521 -23.533 19.196 1.00 0.00 C ATOM 1394 OG SER A 97 13.839 -24.159 20.427 1.00 0.00 O ATOM 0 H SER A 97 13.805 -22.826 16.607 1.00 0.00 H new ATOM 0 HA SER A 97 15.420 -22.536 19.074 1.00 0.00 H new ATOM 0 HB2 SER A 97 12.920 -22.643 19.382 1.00 0.00 H new ATOM 0 HB3 SER A 97 12.916 -24.205 18.588 1.00 0.00 H new ATOM 0 HG SER A 97 13.012 -24.394 20.898 1.00 0.00 H new ATOM 1400 N SER A 98 14.917 -25.278 17.279 1.00 0.00 N ATOM 1401 CA SER A 98 15.542 -26.520 16.841 1.00 0.00 C ATOM 1402 C SER A 98 16.485 -26.270 15.668 1.00 0.00 C ATOM 1403 O SER A 98 16.269 -25.363 14.865 1.00 0.00 O ATOM 1404 CB SER A 98 14.475 -27.541 16.443 1.00 0.00 C ATOM 1405 OG SER A 98 13.931 -27.240 15.170 1.00 0.00 O ATOM 0 H SER A 98 13.960 -25.149 16.950 1.00 0.00 H new ATOM 0 HA SER A 98 16.123 -26.918 17.673 1.00 0.00 H new ATOM 0 HB2 SER A 98 14.911 -28.540 16.429 1.00 0.00 H new ATOM 0 HB3 SER A 98 13.680 -27.550 17.189 1.00 0.00 H new ATOM 0 HG SER A 98 13.253 -27.908 14.938 1.00 0.00 H new ATOM 1411 N GLY A 99 17.534 -27.082 15.576 1.00 0.00 N ATOM 1412 CA GLY A 99 18.495 -26.934 14.499 1.00 0.00 C ATOM 1413 C GLY A 99 18.242 -27.899 13.358 1.00 0.00 C ATOM 1414 O GLY A 99 18.929 -27.859 12.338 1.00 0.00 O ATOM 0 H GLY A 99 17.735 -27.840 16.228 1.00 0.00 H new ATOM 0 HA2 GLY A 99 18.458 -25.912 14.121 1.00 0.00 H new ATOM 0 HA3 GLY A 99 19.500 -27.093 14.889 1.00 0.00 H new TER 1418 GLY A 99