USER MOD reduce.3.24.130724 H: found=0, std=0, add=733, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 731 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 Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 44:sc= 1.21 USER MOD Single : A 13 LYS NZ :NH3+ 148:sc= 0.0383 (180deg=-0.621) USER MOD Single : A 14 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 SER OG : rot 163:sc= -4.74! USER MOD Single : A 30 SER OG : rot 180:sc= -0.78 USER MOD Single : A 34 THR OG1 : rot 141:sc= 1.44 USER MOD Single : A 39 ASN :FLIP amide:sc= -0.0179 F(o=-0.79,f=-0.018) USER MOD Single : A 40 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 41 MET CE :methyl 157:sc= -0.278 (180deg=-1.16) USER MOD Single : A 42 HIS : no HD1:sc= -0.853 K(o=-0.85,f=-1.4) USER MOD Single : A 48 LYS NZ :NH3+ 145:sc= 0.0479 (180deg=0) USER MOD Single : A 49 SER OG : rot -19:sc= -1.08 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 ASN :FLIP amide:sc= -3.95! C(o=-6.4!,f=-3.9!) USER MOD Single : A 57 GLN : amide:sc= -0.982 K(o=-0.98,f=-2.3!) USER MOD Single : A 59 MET CE :methyl 166:sc= -2.84! (180deg=-3.13!) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 62 ASN : amide:sc= -4.58! C(o=-4.6!,f=-11!) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 73 THR OG1 : rot 180:sc= -0.828 USER MOD Single : A 74 CYS SG : rot 70:sc= -0.94 USER MOD Single : A 75 GLN : amide:sc= -0.101 K(o=-0.1,f=-1.9!) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 ASN : amide:sc= -0.0304 K(o=-0.03,f=-1.6!) USER MOD Single : A 84 GLN : amide:sc= -0.117 K(o=-0.12,f=-1.1!) USER MOD Single : A 85 SER OG : rot 180:sc=-0.00569 USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 ASN :FLIP amide:sc= -1.43 F(o=-6!,f=-1.4) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 180:sc= -0.109 USER MOD Single : A 97 SER OG : rot 44:sc= 0.391 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -11.300 0.058 -18.154 1.00 0.00 N ATOM 2 CA GLY A 1 -11.632 1.271 -17.429 1.00 0.00 C ATOM 3 C GLY A 1 -11.072 2.513 -18.093 1.00 0.00 C ATOM 4 O GLY A 1 -9.876 2.589 -18.376 1.00 0.00 O ATOM 0 H1 GLY A 1 -11.705 -0.763 -17.661 1.00 0.00 H new ATOM 0 H2 GLY A 1 -11.690 0.111 -19.116 1.00 0.00 H new ATOM 0 H3 GLY A 1 -10.266 -0.044 -18.205 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -12.716 1.360 -17.353 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -11.246 1.200 -16.412 1.00 0.00 H new ATOM 8 N SER A 2 -11.938 3.490 -18.343 1.00 0.00 N ATOM 9 CA SER A 2 -11.524 4.734 -18.982 1.00 0.00 C ATOM 10 C SER A 2 -11.350 5.844 -17.950 1.00 0.00 C ATOM 11 O SER A 2 -12.320 6.475 -17.532 1.00 0.00 O ATOM 12 CB SER A 2 -12.551 5.157 -20.035 1.00 0.00 C ATOM 13 OG SER A 2 -12.588 4.235 -21.110 1.00 0.00 O ATOM 0 H SER A 2 -12.931 3.444 -18.113 1.00 0.00 H new ATOM 0 HA SER A 2 -10.564 4.562 -19.469 1.00 0.00 H new ATOM 0 HB2 SER A 2 -13.538 5.227 -19.578 1.00 0.00 H new ATOM 0 HB3 SER A 2 -12.303 6.149 -20.411 1.00 0.00 H new ATOM 0 HG SER A 2 -13.253 4.527 -21.768 1.00 0.00 H new ATOM 19 N SER A 3 -10.105 6.075 -17.544 1.00 0.00 N ATOM 20 CA SER A 3 -9.802 7.106 -16.558 1.00 0.00 C ATOM 21 C SER A 3 -10.761 7.024 -15.374 1.00 0.00 C ATOM 22 O SER A 3 -11.272 8.039 -14.903 1.00 0.00 O ATOM 23 CB SER A 3 -9.882 8.493 -17.198 1.00 0.00 C ATOM 24 OG SER A 3 -8.860 8.669 -18.164 1.00 0.00 O ATOM 0 H SER A 3 -9.291 5.562 -17.882 1.00 0.00 H new ATOM 0 HA SER A 3 -8.788 6.939 -16.195 1.00 0.00 H new ATOM 0 HB2 SER A 3 -10.857 8.625 -17.667 1.00 0.00 H new ATOM 0 HB3 SER A 3 -9.794 9.258 -16.427 1.00 0.00 H new ATOM 0 HG SER A 3 -8.934 9.563 -18.559 1.00 0.00 H new ATOM 30 N GLY A 4 -11.001 5.806 -14.898 1.00 0.00 N ATOM 31 CA GLY A 4 -11.898 5.612 -13.774 1.00 0.00 C ATOM 32 C GLY A 4 -11.164 5.570 -12.448 1.00 0.00 C ATOM 33 O GLY A 4 -10.020 6.014 -12.349 1.00 0.00 O ATOM 0 H GLY A 4 -10.590 4.950 -15.271 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -12.631 6.418 -13.755 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -12.450 4.682 -13.910 1.00 0.00 H new ATOM 37 N SER A 5 -11.824 5.037 -11.425 1.00 0.00 N ATOM 38 CA SER A 5 -11.230 4.944 -10.096 1.00 0.00 C ATOM 39 C SER A 5 -10.614 3.566 -9.872 1.00 0.00 C ATOM 40 O SER A 5 -9.445 3.449 -9.503 1.00 0.00 O ATOM 41 CB SER A 5 -12.283 5.226 -9.022 1.00 0.00 C ATOM 42 OG SER A 5 -11.675 5.598 -7.798 1.00 0.00 O ATOM 0 H SER A 5 -12.771 4.663 -11.491 1.00 0.00 H new ATOM 0 HA SER A 5 -10.440 5.692 -10.025 1.00 0.00 H new ATOM 0 HB2 SER A 5 -12.947 6.022 -9.359 1.00 0.00 H new ATOM 0 HB3 SER A 5 -12.900 4.340 -8.871 1.00 0.00 H new ATOM 0 HG SER A 5 -12.369 5.775 -7.129 1.00 0.00 H new ATOM 48 N SER A 6 -11.410 2.526 -10.097 1.00 0.00 N ATOM 49 CA SER A 6 -10.945 1.155 -9.916 1.00 0.00 C ATOM 50 C SER A 6 -9.974 0.760 -11.024 1.00 0.00 C ATOM 51 O SER A 6 -10.385 0.363 -12.113 1.00 0.00 O ATOM 52 CB SER A 6 -12.133 0.191 -9.895 1.00 0.00 C ATOM 53 OG SER A 6 -12.798 0.174 -11.147 1.00 0.00 O ATOM 0 H SER A 6 -12.379 2.606 -10.405 1.00 0.00 H new ATOM 0 HA SER A 6 -10.422 1.097 -8.961 1.00 0.00 H new ATOM 0 HB2 SER A 6 -11.786 -0.813 -9.650 1.00 0.00 H new ATOM 0 HB3 SER A 6 -12.832 0.487 -9.112 1.00 0.00 H new ATOM 0 HG SER A 6 -12.136 0.141 -11.869 1.00 0.00 H new ATOM 59 N GLY A 7 -8.680 0.873 -10.736 1.00 0.00 N ATOM 60 CA GLY A 7 -7.669 0.525 -11.716 1.00 0.00 C ATOM 61 C GLY A 7 -6.261 0.685 -11.179 1.00 0.00 C ATOM 62 O GLY A 7 -6.018 0.492 -9.988 1.00 0.00 O ATOM 0 H GLY A 7 -8.315 1.199 -9.841 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -7.817 -0.506 -12.036 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -7.791 1.153 -12.598 1.00 0.00 H new ATOM 66 N ASP A 8 -5.330 1.037 -12.059 1.00 0.00 N ATOM 67 CA ASP A 8 -3.938 1.222 -11.667 1.00 0.00 C ATOM 68 C ASP A 8 -3.748 2.556 -10.950 1.00 0.00 C ATOM 69 O ASP A 8 -4.270 3.584 -11.381 1.00 0.00 O ATOM 70 CB ASP A 8 -3.027 1.155 -12.893 1.00 0.00 C ATOM 71 CG ASP A 8 -1.782 2.006 -12.738 1.00 0.00 C ATOM 72 OD1 ASP A 8 -1.921 3.239 -12.598 1.00 0.00 O ATOM 73 OD2 ASP A 8 -0.669 1.440 -12.757 1.00 0.00 O ATOM 0 H ASP A 8 -5.514 1.200 -13.049 1.00 0.00 H new ATOM 0 HA ASP A 8 -3.670 0.419 -10.981 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -2.736 0.119 -13.069 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -3.581 1.484 -13.772 1.00 0.00 H new ATOM 78 N VAL A 9 -2.999 2.530 -9.852 1.00 0.00 N ATOM 79 CA VAL A 9 -2.741 3.736 -9.075 1.00 0.00 C ATOM 80 C VAL A 9 -1.246 3.936 -8.851 1.00 0.00 C ATOM 81 O VAL A 9 -0.493 2.971 -8.717 1.00 0.00 O ATOM 82 CB VAL A 9 -3.450 3.687 -7.709 1.00 0.00 C ATOM 83 CG1 VAL A 9 -2.885 4.746 -6.774 1.00 0.00 C ATOM 84 CG2 VAL A 9 -4.951 3.863 -7.882 1.00 0.00 C ATOM 0 H VAL A 9 -2.561 1.687 -9.481 1.00 0.00 H new ATOM 0 HA VAL A 9 -3.135 4.573 -9.651 1.00 0.00 H new ATOM 0 HB VAL A 9 -3.270 2.710 -7.261 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -3.399 4.695 -5.814 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -1.820 4.569 -6.625 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -3.031 5.733 -7.212 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -5.436 3.826 -6.907 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -5.153 4.826 -8.351 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -5.341 3.064 -8.512 1.00 0.00 H new ATOM 94 N PHE A 10 -0.822 5.195 -8.813 1.00 0.00 N ATOM 95 CA PHE A 10 0.584 5.523 -8.606 1.00 0.00 C ATOM 96 C PHE A 10 0.745 6.542 -7.482 1.00 0.00 C ATOM 97 O PHE A 10 0.383 7.709 -7.631 1.00 0.00 O ATOM 98 CB PHE A 10 1.197 6.069 -9.897 1.00 0.00 C ATOM 99 CG PHE A 10 1.476 5.009 -10.924 1.00 0.00 C ATOM 100 CD1 PHE A 10 2.675 4.315 -10.914 1.00 0.00 C ATOM 101 CD2 PHE A 10 0.539 4.706 -11.898 1.00 0.00 C ATOM 102 CE1 PHE A 10 2.935 3.340 -11.859 1.00 0.00 C ATOM 103 CE2 PHE A 10 0.792 3.731 -12.845 1.00 0.00 C ATOM 104 CZ PHE A 10 1.992 3.047 -12.824 1.00 0.00 C ATOM 0 H PHE A 10 -1.432 6.005 -8.923 1.00 0.00 H new ATOM 0 HA PHE A 10 1.107 4.610 -8.322 1.00 0.00 H new ATOM 0 HB2 PHE A 10 0.522 6.810 -10.325 1.00 0.00 H new ATOM 0 HB3 PHE A 10 2.127 6.586 -9.658 1.00 0.00 H new ATOM 0 HD1 PHE A 10 3.415 4.538 -10.160 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -0.401 5.238 -11.918 1.00 0.00 H new ATOM 0 HE1 PHE A 10 3.875 2.808 -11.842 1.00 0.00 H new ATOM 0 HE2 PHE A 10 0.053 3.505 -13.599 1.00 0.00 H new ATOM 0 HZ PHE A 10 2.192 2.284 -13.562 1.00 0.00 H new ATOM 114 N ILE A 11 1.291 6.091 -6.357 1.00 0.00 N ATOM 115 CA ILE A 11 1.501 6.963 -5.208 1.00 0.00 C ATOM 116 C ILE A 11 2.904 7.560 -5.220 1.00 0.00 C ATOM 117 O ILE A 11 3.879 6.884 -4.895 1.00 0.00 O ATOM 118 CB ILE A 11 1.288 6.208 -3.882 1.00 0.00 C ATOM 119 CG1 ILE A 11 -0.156 5.711 -3.780 1.00 0.00 C ATOM 120 CG2 ILE A 11 1.631 7.104 -2.702 1.00 0.00 C ATOM 121 CD1 ILE A 11 -1.180 6.824 -3.792 1.00 0.00 C ATOM 0 H ILE A 11 1.596 5.128 -6.217 1.00 0.00 H new ATOM 0 HA ILE A 11 0.767 7.765 -5.282 1.00 0.00 H new ATOM 0 HB ILE A 11 1.952 5.344 -3.861 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -0.358 5.033 -4.610 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -0.269 5.134 -2.862 1.00 0.00 H new ATOM 0 HG21 ILE A 11 1.476 6.557 -1.772 1.00 0.00 H new ATOM 0 HG22 ILE A 11 2.674 7.413 -2.771 1.00 0.00 H new ATOM 0 HG23 ILE A 11 0.990 7.985 -2.716 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -2.181 6.399 -3.717 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -1.004 7.489 -2.947 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -1.094 7.387 -4.721 1.00 0.00 H new ATOM 133 N GLU A 12 2.997 8.832 -5.596 1.00 0.00 N ATOM 134 CA GLU A 12 4.281 9.520 -5.649 1.00 0.00 C ATOM 135 C GLU A 12 4.638 10.111 -4.288 1.00 0.00 C ATOM 136 O GLU A 12 4.020 11.075 -3.835 1.00 0.00 O ATOM 137 CB GLU A 12 4.248 10.627 -6.705 1.00 0.00 C ATOM 138 CG GLU A 12 4.338 10.110 -8.131 1.00 0.00 C ATOM 139 CD GLU A 12 5.015 11.093 -9.066 1.00 0.00 C ATOM 140 OE1 GLU A 12 4.529 12.238 -9.176 1.00 0.00 O ATOM 141 OE2 GLU A 12 6.030 10.717 -9.689 1.00 0.00 O ATOM 0 H GLU A 12 2.199 9.406 -5.868 1.00 0.00 H new ATOM 0 HA GLU A 12 5.044 8.791 -5.921 1.00 0.00 H new ATOM 0 HB2 GLU A 12 3.327 11.198 -6.592 1.00 0.00 H new ATOM 0 HB3 GLU A 12 5.074 11.315 -6.524 1.00 0.00 H new ATOM 0 HG2 GLU A 12 4.888 9.169 -8.138 1.00 0.00 H new ATOM 0 HG3 GLU A 12 3.335 9.895 -8.500 1.00 0.00 H new ATOM 148 N LYS A 13 5.640 9.527 -3.640 1.00 0.00 N ATOM 149 CA LYS A 13 6.082 9.994 -2.332 1.00 0.00 C ATOM 150 C LYS A 13 7.604 10.064 -2.264 1.00 0.00 C ATOM 151 O LYS A 13 8.290 9.806 -3.253 1.00 0.00 O ATOM 152 CB LYS A 13 5.554 9.069 -1.232 1.00 0.00 C ATOM 153 CG LYS A 13 6.291 7.744 -1.147 1.00 0.00 C ATOM 154 CD LYS A 13 6.137 7.107 0.224 1.00 0.00 C ATOM 155 CE LYS A 13 6.630 5.668 0.230 1.00 0.00 C ATOM 156 NZ LYS A 13 5.551 4.711 -0.141 1.00 0.00 N ATOM 0 H LYS A 13 6.162 8.728 -4.000 1.00 0.00 H new ATOM 0 HA LYS A 13 5.683 10.997 -2.179 1.00 0.00 H new ATOM 0 HB2 LYS A 13 5.630 9.580 -0.272 1.00 0.00 H new ATOM 0 HB3 LYS A 13 4.496 8.876 -1.408 1.00 0.00 H new ATOM 0 HG2 LYS A 13 5.910 7.065 -1.910 1.00 0.00 H new ATOM 0 HG3 LYS A 13 7.349 7.901 -1.360 1.00 0.00 H new ATOM 0 HD2 LYS A 13 6.694 7.686 0.960 1.00 0.00 H new ATOM 0 HD3 LYS A 13 5.089 7.135 0.523 1.00 0.00 H new ATOM 0 HE2 LYS A 13 7.462 5.566 -0.467 1.00 0.00 H new ATOM 0 HE3 LYS A 13 7.012 5.419 1.220 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 5.965 3.898 -0.641 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 5.070 4.380 0.719 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 4.864 5.186 -0.761 1.00 0.00 H new ATOM 170 N GLN A 14 8.125 10.413 -1.092 1.00 0.00 N ATOM 171 CA GLN A 14 9.566 10.515 -0.897 1.00 0.00 C ATOM 172 C GLN A 14 10.100 9.306 -0.137 1.00 0.00 C ATOM 173 O GLN A 14 9.391 8.702 0.667 1.00 0.00 O ATOM 174 CB GLN A 14 9.910 11.800 -0.141 1.00 0.00 C ATOM 175 CG GLN A 14 9.667 13.065 -0.949 1.00 0.00 C ATOM 176 CD GLN A 14 10.334 14.283 -0.341 1.00 0.00 C ATOM 177 OE1 GLN A 14 9.739 14.991 0.471 1.00 0.00 O ATOM 178 NE2 GLN A 14 11.578 14.533 -0.732 1.00 0.00 N ATOM 0 H GLN A 14 7.571 10.630 -0.264 1.00 0.00 H new ATOM 0 HA GLN A 14 10.039 10.541 -1.879 1.00 0.00 H new ATOM 0 HB2 GLN A 14 9.318 11.843 0.773 1.00 0.00 H new ATOM 0 HB3 GLN A 14 10.957 11.766 0.159 1.00 0.00 H new ATOM 0 HG2 GLN A 14 10.039 12.921 -1.963 1.00 0.00 H new ATOM 0 HG3 GLN A 14 8.594 13.243 -1.025 1.00 0.00 H new ATOM 0 HE21 GLN A 14 12.033 13.919 -1.408 1.00 0.00 H new ATOM 0 HE22 GLN A 14 12.078 15.339 -0.357 1.00 0.00 H new ATOM 187 N LYS A 15 11.355 8.956 -0.398 1.00 0.00 N ATOM 188 CA LYS A 15 11.986 7.819 0.262 1.00 0.00 C ATOM 189 C LYS A 15 12.197 8.100 1.746 1.00 0.00 C ATOM 190 O LYS A 15 12.447 9.237 2.143 1.00 0.00 O ATOM 191 CB LYS A 15 13.327 7.497 -0.403 1.00 0.00 C ATOM 192 CG LYS A 15 13.202 7.109 -1.866 1.00 0.00 C ATOM 193 CD LYS A 15 14.477 7.414 -2.635 1.00 0.00 C ATOM 194 CE LYS A 15 14.540 6.638 -3.941 1.00 0.00 C ATOM 195 NZ LYS A 15 15.746 6.992 -4.739 1.00 0.00 N ATOM 0 H LYS A 15 11.956 9.444 -1.063 1.00 0.00 H new ATOM 0 HA LYS A 15 11.323 6.960 0.164 1.00 0.00 H new ATOM 0 HB2 LYS A 15 13.982 8.365 -0.320 1.00 0.00 H new ATOM 0 HB3 LYS A 15 13.807 6.683 0.141 1.00 0.00 H new ATOM 0 HG2 LYS A 15 12.975 6.046 -1.943 1.00 0.00 H new ATOM 0 HG3 LYS A 15 12.367 7.647 -2.316 1.00 0.00 H new ATOM 0 HD2 LYS A 15 14.531 8.483 -2.843 1.00 0.00 H new ATOM 0 HD3 LYS A 15 15.342 7.165 -2.020 1.00 0.00 H new ATOM 0 HE2 LYS A 15 14.546 5.569 -3.728 1.00 0.00 H new ATOM 0 HE3 LYS A 15 13.644 6.841 -4.528 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 15.752 6.442 -5.622 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 15.728 8.007 -4.964 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 16.602 6.775 -4.190 1.00 0.00 H new ATOM 209 N GLY A 16 12.097 7.054 2.561 1.00 0.00 N ATOM 210 CA GLY A 16 12.281 7.209 3.993 1.00 0.00 C ATOM 211 C GLY A 16 10.976 7.458 4.721 1.00 0.00 C ATOM 212 O GLY A 16 10.885 7.256 5.932 1.00 0.00 O ATOM 0 H GLY A 16 11.892 6.103 2.256 1.00 0.00 H new ATOM 0 HA2 GLY A 16 12.752 6.312 4.395 1.00 0.00 H new ATOM 0 HA3 GLY A 16 12.962 8.039 4.181 1.00 0.00 H new ATOM 216 N GLU A 17 9.962 7.901 3.983 1.00 0.00 N ATOM 217 CA GLU A 17 8.656 8.180 4.569 1.00 0.00 C ATOM 218 C GLU A 17 7.684 7.034 4.302 1.00 0.00 C ATOM 219 O GLU A 17 7.865 6.259 3.363 1.00 0.00 O ATOM 220 CB GLU A 17 8.090 9.486 4.007 1.00 0.00 C ATOM 221 CG GLU A 17 9.134 10.573 3.823 1.00 0.00 C ATOM 222 CD GLU A 17 9.694 11.074 5.140 1.00 0.00 C ATOM 223 OE1 GLU A 17 8.965 11.016 6.153 1.00 0.00 O ATOM 224 OE2 GLU A 17 10.858 11.524 5.159 1.00 0.00 O ATOM 0 H GLU A 17 10.020 8.074 2.979 1.00 0.00 H new ATOM 0 HA GLU A 17 8.783 8.281 5.647 1.00 0.00 H new ATOM 0 HB2 GLU A 17 7.616 9.283 3.047 1.00 0.00 H new ATOM 0 HB3 GLU A 17 7.311 9.852 4.676 1.00 0.00 H new ATOM 0 HG2 GLU A 17 9.949 10.189 3.209 1.00 0.00 H new ATOM 0 HG3 GLU A 17 8.692 11.408 3.280 1.00 0.00 H new ATOM 231 N ILE A 18 6.654 6.934 5.135 1.00 0.00 N ATOM 232 CA ILE A 18 5.654 5.885 4.989 1.00 0.00 C ATOM 233 C ILE A 18 4.547 6.309 4.030 1.00 0.00 C ATOM 234 O ILE A 18 4.446 7.480 3.661 1.00 0.00 O ATOM 235 CB ILE A 18 5.026 5.512 6.346 1.00 0.00 C ATOM 236 CG1 ILE A 18 4.424 6.751 7.011 1.00 0.00 C ATOM 237 CG2 ILE A 18 6.067 4.871 7.252 1.00 0.00 C ATOM 238 CD1 ILE A 18 3.339 6.431 8.015 1.00 0.00 C ATOM 0 H ILE A 18 6.490 7.567 5.918 1.00 0.00 H new ATOM 0 HA ILE A 18 6.169 5.014 4.584 1.00 0.00 H new ATOM 0 HB ILE A 18 4.227 4.790 6.175 1.00 0.00 H new ATOM 0 HG12 ILE A 18 5.217 7.307 7.510 1.00 0.00 H new ATOM 0 HG13 ILE A 18 4.014 7.404 6.241 1.00 0.00 H new ATOM 0 HG21 ILE A 18 5.609 4.613 8.207 1.00 0.00 H new ATOM 0 HG22 ILE A 18 6.454 3.968 6.780 1.00 0.00 H new ATOM 0 HG23 ILE A 18 6.885 5.572 7.420 1.00 0.00 H new ATOM 0 HD11 ILE A 18 2.958 7.357 8.447 1.00 0.00 H new ATOM 0 HD12 ILE A 18 2.527 5.902 7.517 1.00 0.00 H new ATOM 0 HD13 ILE A 18 3.749 5.804 8.806 1.00 0.00 H new ATOM 250 N LEU A 19 3.718 5.351 3.631 1.00 0.00 N ATOM 251 CA LEU A 19 2.616 5.625 2.715 1.00 0.00 C ATOM 252 C LEU A 19 1.503 6.396 3.417 1.00 0.00 C ATOM 253 O LEU A 19 0.466 6.689 2.824 1.00 0.00 O ATOM 254 CB LEU A 19 2.064 4.318 2.144 1.00 0.00 C ATOM 255 CG LEU A 19 1.093 4.455 0.970 1.00 0.00 C ATOM 256 CD1 LEU A 19 1.693 5.331 -0.119 1.00 0.00 C ATOM 257 CD2 LEU A 19 0.730 3.085 0.416 1.00 0.00 C ATOM 0 H LEU A 19 3.788 4.377 3.927 1.00 0.00 H new ATOM 0 HA LEU A 19 2.999 6.238 1.899 1.00 0.00 H new ATOM 0 HB2 LEU A 19 2.904 3.701 1.825 1.00 0.00 H new ATOM 0 HB3 LEU A 19 1.559 3.779 2.946 1.00 0.00 H new ATOM 0 HG LEU A 19 0.182 4.932 1.330 1.00 0.00 H new ATOM 0 HD11 LEU A 19 0.988 5.417 -0.946 1.00 0.00 H new ATOM 0 HD12 LEU A 19 1.902 6.322 0.285 1.00 0.00 H new ATOM 0 HD13 LEU A 19 2.620 4.883 -0.477 1.00 0.00 H new ATOM 0 HD21 LEU A 19 0.039 3.202 -0.418 1.00 0.00 H new ATOM 0 HD22 LEU A 19 1.633 2.581 0.071 1.00 0.00 H new ATOM 0 HD23 LEU A 19 0.258 2.490 1.198 1.00 0.00 H new ATOM 269 N GLY A 20 1.727 6.724 4.686 1.00 0.00 N ATOM 270 CA GLY A 20 0.736 7.461 5.449 1.00 0.00 C ATOM 271 C GLY A 20 -0.678 6.998 5.160 1.00 0.00 C ATOM 272 O GLY A 20 -1.575 7.813 4.948 1.00 0.00 O ATOM 0 H GLY A 20 2.577 6.492 5.199 1.00 0.00 H new ATOM 0 HA2 GLY A 20 0.942 7.347 6.513 1.00 0.00 H new ATOM 0 HA3 GLY A 20 0.821 8.523 5.220 1.00 0.00 H new ATOM 276 N VAL A 21 -0.879 5.683 5.150 1.00 0.00 N ATOM 277 CA VAL A 21 -2.194 5.113 4.885 1.00 0.00 C ATOM 278 C VAL A 21 -2.406 3.828 5.678 1.00 0.00 C ATOM 279 O VAL A 21 -1.508 2.992 5.777 1.00 0.00 O ATOM 280 CB VAL A 21 -2.384 4.815 3.385 1.00 0.00 C ATOM 281 CG1 VAL A 21 -1.770 3.471 3.025 1.00 0.00 C ATOM 282 CG2 VAL A 21 -3.860 4.851 3.019 1.00 0.00 C ATOM 0 H VAL A 21 -0.147 4.993 5.322 1.00 0.00 H new ATOM 0 HA VAL A 21 -2.930 5.854 5.197 1.00 0.00 H new ATOM 0 HB VAL A 21 -1.871 5.587 2.811 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -1.914 3.278 1.962 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -0.704 3.486 3.250 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -2.252 2.684 3.605 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -3.977 4.639 1.956 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -4.397 4.101 3.600 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -4.265 5.839 3.238 1.00 0.00 H new ATOM 292 N VAL A 22 -3.600 3.676 6.241 1.00 0.00 N ATOM 293 CA VAL A 22 -3.931 2.492 7.024 1.00 0.00 C ATOM 294 C VAL A 22 -4.808 1.534 6.227 1.00 0.00 C ATOM 295 O VAL A 22 -5.676 1.959 5.463 1.00 0.00 O ATOM 296 CB VAL A 22 -4.656 2.868 8.330 1.00 0.00 C ATOM 297 CG1 VAL A 22 -4.907 1.630 9.177 1.00 0.00 C ATOM 298 CG2 VAL A 22 -3.854 3.902 9.106 1.00 0.00 C ATOM 0 H VAL A 22 -4.355 4.359 6.169 1.00 0.00 H new ATOM 0 HA VAL A 22 -2.989 2.000 7.268 1.00 0.00 H new ATOM 0 HB VAL A 22 -5.621 3.307 8.076 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -5.420 1.915 10.095 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -5.526 0.927 8.619 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -3.955 1.159 9.424 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -4.381 4.156 10.026 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -2.874 3.493 9.351 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -3.732 4.799 8.498 1.00 0.00 H new ATOM 308 N ILE A 23 -4.577 0.238 6.410 1.00 0.00 N ATOM 309 CA ILE A 23 -5.347 -0.782 5.709 1.00 0.00 C ATOM 310 C ILE A 23 -5.922 -1.804 6.683 1.00 0.00 C ATOM 311 O ILE A 23 -5.449 -1.936 7.812 1.00 0.00 O ATOM 312 CB ILE A 23 -4.489 -1.515 4.661 1.00 0.00 C ATOM 313 CG1 ILE A 23 -3.363 -2.292 5.346 1.00 0.00 C ATOM 314 CG2 ILE A 23 -3.920 -0.524 3.656 1.00 0.00 C ATOM 315 CD1 ILE A 23 -2.921 -3.518 4.577 1.00 0.00 C ATOM 0 H ILE A 23 -3.863 -0.130 7.038 1.00 0.00 H new ATOM 0 HA ILE A 23 -6.163 -0.267 5.203 1.00 0.00 H new ATOM 0 HB ILE A 23 -5.121 -2.223 4.126 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -2.507 -1.631 5.483 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -3.694 -2.596 6.339 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -3.316 -1.057 2.922 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -4.737 -0.010 3.150 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -3.299 0.206 4.176 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -2.121 -4.020 5.121 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -3.764 -4.199 4.462 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -2.559 -3.220 3.593 1.00 0.00 H new ATOM 327 N VAL A 24 -6.945 -2.527 6.239 1.00 0.00 N ATOM 328 CA VAL A 24 -7.584 -3.540 7.070 1.00 0.00 C ATOM 329 C VAL A 24 -8.091 -4.704 6.226 1.00 0.00 C ATOM 330 O VAL A 24 -7.864 -4.752 5.018 1.00 0.00 O ATOM 331 CB VAL A 24 -8.760 -2.950 7.871 1.00 0.00 C ATOM 332 CG1 VAL A 24 -8.258 -1.935 8.887 1.00 0.00 C ATOM 333 CG2 VAL A 24 -9.778 -2.319 6.933 1.00 0.00 C ATOM 0 H VAL A 24 -7.349 -2.430 5.308 1.00 0.00 H new ATOM 0 HA VAL A 24 -6.827 -3.902 7.765 1.00 0.00 H new ATOM 0 HB VAL A 24 -9.251 -3.758 8.413 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -9.103 -1.529 9.443 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -7.569 -2.421 9.577 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -7.742 -1.126 8.369 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -10.602 -1.907 7.515 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -9.302 -1.521 6.363 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -10.160 -3.076 6.248 1.00 0.00 H new ATOM 343 N GLU A 25 -8.779 -5.641 6.872 1.00 0.00 N ATOM 344 CA GLU A 25 -9.318 -6.805 6.180 1.00 0.00 C ATOM 345 C GLU A 25 -10.574 -6.438 5.395 1.00 0.00 C ATOM 346 O GLU A 25 -11.520 -5.875 5.945 1.00 0.00 O ATOM 347 CB GLU A 25 -9.636 -7.919 7.180 1.00 0.00 C ATOM 348 CG GLU A 25 -8.446 -8.331 8.030 1.00 0.00 C ATOM 349 CD GLU A 25 -8.561 -9.753 8.544 1.00 0.00 C ATOM 350 OE1 GLU A 25 -9.683 -10.165 8.905 1.00 0.00 O ATOM 351 OE2 GLU A 25 -7.528 -10.454 8.585 1.00 0.00 O ATOM 0 H GLU A 25 -8.976 -5.616 7.873 1.00 0.00 H new ATOM 0 HA GLU A 25 -8.563 -7.160 5.479 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -10.443 -7.589 7.835 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -10.003 -8.790 6.637 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -7.533 -8.234 7.442 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -8.355 -7.649 8.876 1.00 0.00 H new ATOM 358 N SER A 26 -10.574 -6.761 4.105 1.00 0.00 N ATOM 359 CA SER A 26 -11.710 -6.461 3.242 1.00 0.00 C ATOM 360 C SER A 26 -12.787 -7.534 3.371 1.00 0.00 C ATOM 361 O SER A 26 -13.432 -7.904 2.390 1.00 0.00 O ATOM 362 CB SER A 26 -11.256 -6.350 1.785 1.00 0.00 C ATOM 363 OG SER A 26 -10.431 -5.215 1.594 1.00 0.00 O ATOM 0 H SER A 26 -9.800 -7.230 3.635 1.00 0.00 H new ATOM 0 HA SER A 26 -12.132 -5.507 3.557 1.00 0.00 H new ATOM 0 HB2 SER A 26 -10.712 -7.251 1.500 1.00 0.00 H new ATOM 0 HB3 SER A 26 -12.127 -6.284 1.133 1.00 0.00 H new ATOM 0 HG SER A 26 -9.938 -5.307 0.752 1.00 0.00 H new ATOM 369 N GLY A 27 -12.976 -8.032 4.589 1.00 0.00 N ATOM 370 CA GLY A 27 -13.975 -9.057 4.826 1.00 0.00 C ATOM 371 C GLY A 27 -15.360 -8.480 5.042 1.00 0.00 C ATOM 372 O GLY A 27 -16.125 -8.978 5.867 1.00 0.00 O ATOM 0 H GLY A 27 -12.454 -7.743 5.417 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -13.998 -9.740 3.977 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -13.689 -9.643 5.699 1.00 0.00 H new ATOM 376 N TRP A 28 -15.681 -7.426 4.301 1.00 0.00 N ATOM 377 CA TRP A 28 -16.983 -6.778 4.417 1.00 0.00 C ATOM 378 C TRP A 28 -17.824 -7.018 3.169 1.00 0.00 C ATOM 379 O TRP A 28 -18.120 -6.088 2.419 1.00 0.00 O ATOM 380 CB TRP A 28 -16.810 -5.276 4.649 1.00 0.00 C ATOM 381 CG TRP A 28 -15.750 -4.949 5.658 1.00 0.00 C ATOM 382 CD1 TRP A 28 -14.410 -5.189 5.546 1.00 0.00 C ATOM 383 CD2 TRP A 28 -15.943 -4.325 6.932 1.00 0.00 C ATOM 384 NE1 TRP A 28 -13.759 -4.751 6.674 1.00 0.00 N ATOM 385 CE2 TRP A 28 -14.676 -4.216 7.538 1.00 0.00 C ATOM 386 CE3 TRP A 28 -17.062 -3.845 7.618 1.00 0.00 C ATOM 387 CZ2 TRP A 28 -14.501 -3.649 8.798 1.00 0.00 C ATOM 388 CZ3 TRP A 28 -16.886 -3.283 8.868 1.00 0.00 C ATOM 389 CH2 TRP A 28 -15.613 -3.188 9.447 1.00 0.00 C ATOM 0 H TRP A 28 -15.058 -7.002 3.614 1.00 0.00 H new ATOM 0 HA TRP A 28 -17.502 -7.213 5.271 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -16.561 -4.796 3.703 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -17.759 -4.855 4.980 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -13.933 -5.654 4.696 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -12.755 -4.814 6.841 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -18.046 -3.912 7.179 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -13.521 -3.576 9.247 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -17.744 -2.911 9.408 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -15.508 -2.742 10.425 1.00 0.00 H new ATOM 400 N GLY A 29 -18.208 -8.273 2.951 1.00 0.00 N ATOM 401 CA GLY A 29 -19.011 -8.612 1.791 1.00 0.00 C ATOM 402 C GLY A 29 -18.338 -8.232 0.487 1.00 0.00 C ATOM 403 O GLY A 29 -18.804 -7.342 -0.224 1.00 0.00 O ATOM 0 H GLY A 29 -17.977 -9.060 3.557 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -19.212 -9.683 1.793 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -19.974 -8.106 1.860 1.00 0.00 H new ATOM 407 N SER A 30 -17.237 -8.907 0.173 1.00 0.00 N ATOM 408 CA SER A 30 -16.494 -8.632 -1.051 1.00 0.00 C ATOM 409 C SER A 30 -16.095 -9.929 -1.748 1.00 0.00 C ATOM 410 O SER A 30 -16.151 -11.007 -1.155 1.00 0.00 O ATOM 411 CB SER A 30 -15.248 -7.802 -0.741 1.00 0.00 C ATOM 412 OG SER A 30 -15.590 -6.595 -0.081 1.00 0.00 O ATOM 0 H SER A 30 -16.840 -9.649 0.750 1.00 0.00 H new ATOM 0 HA SER A 30 -17.142 -8.065 -1.720 1.00 0.00 H new ATOM 0 HB2 SER A 30 -14.567 -8.381 -0.117 1.00 0.00 H new ATOM 0 HB3 SER A 30 -14.718 -7.577 -1.666 1.00 0.00 H new ATOM 0 HG SER A 30 -14.776 -6.083 0.107 1.00 0.00 H new ATOM 418 N ILE A 31 -15.692 -9.817 -3.009 1.00 0.00 N ATOM 419 CA ILE A 31 -15.282 -10.979 -3.786 1.00 0.00 C ATOM 420 C ILE A 31 -13.851 -11.386 -3.454 1.00 0.00 C ATOM 421 O ILE A 31 -13.593 -12.520 -3.049 1.00 0.00 O ATOM 422 CB ILE A 31 -15.391 -10.712 -5.299 1.00 0.00 C ATOM 423 CG1 ILE A 31 -16.526 -9.727 -5.585 1.00 0.00 C ATOM 424 CG2 ILE A 31 -15.610 -12.015 -6.053 1.00 0.00 C ATOM 425 CD1 ILE A 31 -16.085 -8.280 -5.589 1.00 0.00 C ATOM 0 H ILE A 31 -15.641 -8.932 -3.514 1.00 0.00 H new ATOM 0 HA ILE A 31 -15.959 -11.791 -3.519 1.00 0.00 H new ATOM 0 HB ILE A 31 -14.456 -10.269 -5.643 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -16.968 -9.966 -6.552 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -17.307 -9.858 -4.836 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -15.685 -11.809 -7.121 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -14.771 -12.686 -5.871 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -16.531 -12.484 -5.708 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -16.942 -7.639 -5.798 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -15.670 -8.024 -4.614 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -15.326 -8.133 -6.357 1.00 0.00 H new ATOM 437 N LEU A 32 -12.921 -10.452 -3.628 1.00 0.00 N ATOM 438 CA LEU A 32 -11.514 -10.711 -3.345 1.00 0.00 C ATOM 439 C LEU A 32 -11.077 -10.004 -2.066 1.00 0.00 C ATOM 440 O LEU A 32 -10.696 -8.834 -2.074 1.00 0.00 O ATOM 441 CB LEU A 32 -10.645 -10.253 -4.517 1.00 0.00 C ATOM 442 CG LEU A 32 -10.667 -11.147 -5.758 1.00 0.00 C ATOM 443 CD1 LEU A 32 -10.089 -12.517 -5.439 1.00 0.00 C ATOM 444 CD2 LEU A 32 -12.083 -11.276 -6.298 1.00 0.00 C ATOM 0 H LEU A 32 -13.117 -9.509 -3.964 1.00 0.00 H new ATOM 0 HA LEU A 32 -11.388 -11.785 -3.206 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -10.962 -9.252 -4.809 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -9.615 -10.172 -4.170 1.00 0.00 H new ATOM 0 HG LEU A 32 -10.048 -10.684 -6.526 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -10.113 -13.139 -6.334 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -9.059 -12.407 -5.101 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -10.681 -12.988 -4.654 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -12.079 -11.915 -7.181 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -12.725 -11.715 -5.535 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -12.461 -10.290 -6.566 1.00 0.00 H new ATOM 456 N PRO A 33 -11.129 -10.731 -0.940 1.00 0.00 N ATOM 457 CA PRO A 33 -10.739 -10.195 0.368 1.00 0.00 C ATOM 458 C PRO A 33 -9.236 -9.960 0.473 1.00 0.00 C ATOM 459 O PRO A 33 -8.494 -10.823 0.945 1.00 0.00 O ATOM 460 CB PRO A 33 -11.180 -11.288 1.345 1.00 0.00 C ATOM 461 CG PRO A 33 -11.182 -12.540 0.538 1.00 0.00 C ATOM 462 CD PRO A 33 -11.573 -12.133 -0.856 1.00 0.00 C ATOM 0 HA PRO A 33 -11.192 -9.223 0.562 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -10.496 -11.363 2.190 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -12.169 -11.079 1.753 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -10.199 -13.011 0.546 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -11.886 -13.266 0.945 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -11.086 -12.754 -1.607 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -12.648 -12.224 -1.015 1.00 0.00 H new ATOM 470 N THR A 34 -8.793 -8.787 0.032 1.00 0.00 N ATOM 471 CA THR A 34 -7.378 -8.440 0.076 1.00 0.00 C ATOM 472 C THR A 34 -7.095 -7.429 1.182 1.00 0.00 C ATOM 473 O THR A 34 -6.564 -7.779 2.236 1.00 0.00 O ATOM 474 CB THR A 34 -6.900 -7.860 -1.268 1.00 0.00 C ATOM 475 OG1 THR A 34 -7.608 -6.650 -1.560 1.00 0.00 O ATOM 476 CG2 THR A 34 -7.110 -8.861 -2.394 1.00 0.00 C ATOM 0 H THR A 34 -9.393 -8.061 -0.360 1.00 0.00 H new ATOM 0 HA THR A 34 -6.832 -9.361 0.280 1.00 0.00 H new ATOM 0 HB THR A 34 -5.834 -7.646 -1.187 1.00 0.00 H new ATOM 0 HG1 THR A 34 -6.994 -6.001 -1.964 1.00 0.00 H new ATOM 0 HG21 THR A 34 -6.765 -8.429 -3.334 1.00 0.00 H new ATOM 0 HG22 THR A 34 -6.546 -9.769 -2.183 1.00 0.00 H new ATOM 0 HG23 THR A 34 -8.170 -9.103 -2.473 1.00 0.00 H new ATOM 484 N VAL A 35 -7.453 -6.173 0.935 1.00 0.00 N ATOM 485 CA VAL A 35 -7.238 -5.111 1.911 1.00 0.00 C ATOM 486 C VAL A 35 -7.820 -3.789 1.422 1.00 0.00 C ATOM 487 O VAL A 35 -7.753 -3.472 0.234 1.00 0.00 O ATOM 488 CB VAL A 35 -5.740 -4.920 2.212 1.00 0.00 C ATOM 489 CG1 VAL A 35 -5.311 -5.806 3.372 1.00 0.00 C ATOM 490 CG2 VAL A 35 -4.907 -5.209 0.973 1.00 0.00 C ATOM 0 H VAL A 35 -7.893 -5.866 0.068 1.00 0.00 H new ATOM 0 HA VAL A 35 -7.749 -5.413 2.825 1.00 0.00 H new ATOM 0 HB VAL A 35 -5.574 -3.882 2.499 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -4.250 -5.657 3.570 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -5.886 -5.546 4.261 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -5.490 -6.851 3.117 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -3.851 -5.069 1.204 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -5.075 -6.237 0.653 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -5.197 -4.528 0.173 1.00 0.00 H new ATOM 500 N ILE A 36 -8.390 -3.022 2.345 1.00 0.00 N ATOM 501 CA ILE A 36 -8.982 -1.734 2.007 1.00 0.00 C ATOM 502 C ILE A 36 -8.489 -0.639 2.948 1.00 0.00 C ATOM 503 O ILE A 36 -8.136 -0.907 4.097 1.00 0.00 O ATOM 504 CB ILE A 36 -10.520 -1.789 2.063 1.00 0.00 C ATOM 505 CG1 ILE A 36 -10.982 -2.418 3.379 1.00 0.00 C ATOM 506 CG2 ILE A 36 -11.065 -2.569 0.876 1.00 0.00 C ATOM 507 CD1 ILE A 36 -12.461 -2.245 3.645 1.00 0.00 C ATOM 0 H ILE A 36 -8.454 -3.270 3.332 1.00 0.00 H new ATOM 0 HA ILE A 36 -8.672 -1.502 0.988 1.00 0.00 H new ATOM 0 HB ILE A 36 -10.908 -0.772 2.013 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -10.745 -3.482 3.367 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -10.419 -1.976 4.201 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -12.153 -2.599 0.929 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -10.760 -2.082 -0.050 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -10.672 -3.586 0.897 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -12.717 -2.715 4.594 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -12.701 -1.183 3.690 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -13.032 -2.712 2.843 1.00 0.00 H new ATOM 519 N ILE A 37 -8.470 0.594 2.454 1.00 0.00 N ATOM 520 CA ILE A 37 -8.024 1.729 3.251 1.00 0.00 C ATOM 521 C ILE A 37 -8.963 1.979 4.426 1.00 0.00 C ATOM 522 O ILE A 37 -10.162 2.184 4.242 1.00 0.00 O ATOM 523 CB ILE A 37 -7.929 3.011 2.403 1.00 0.00 C ATOM 524 CG1 ILE A 37 -7.206 2.725 1.085 1.00 0.00 C ATOM 525 CG2 ILE A 37 -7.215 4.108 3.178 1.00 0.00 C ATOM 526 CD1 ILE A 37 -8.133 2.309 -0.036 1.00 0.00 C ATOM 0 H ILE A 37 -8.758 0.832 1.505 1.00 0.00 H new ATOM 0 HA ILE A 37 -7.032 1.479 3.628 1.00 0.00 H new ATOM 0 HB ILE A 37 -8.939 3.353 2.175 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -6.658 3.616 0.780 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -6.470 1.938 1.247 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -7.156 5.007 2.565 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -7.768 4.327 4.091 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -6.209 3.777 3.434 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -7.551 2.123 -0.939 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -8.663 1.400 0.248 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -8.854 3.104 -0.226 1.00 0.00 H new ATOM 538 N ALA A 38 -8.409 1.961 5.634 1.00 0.00 N ATOM 539 CA ALA A 38 -9.196 2.189 6.839 1.00 0.00 C ATOM 540 C ALA A 38 -9.131 3.651 7.269 1.00 0.00 C ATOM 541 O ALA A 38 -10.027 4.147 7.950 1.00 0.00 O ATOM 542 CB ALA A 38 -8.713 1.285 7.964 1.00 0.00 C ATOM 0 H ALA A 38 -7.418 1.791 5.804 1.00 0.00 H new ATOM 0 HA ALA A 38 -10.235 1.949 6.615 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -9.310 1.466 8.858 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -8.817 0.243 7.663 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -7.666 1.498 8.178 1.00 0.00 H new ATOM 548 N ASN A 39 -8.065 4.334 6.866 1.00 0.00 N ATOM 549 CA ASN A 39 -7.883 5.740 7.211 1.00 0.00 C ATOM 550 C ASN A 39 -6.690 6.332 6.467 1.00 0.00 C ATOM 551 O ASN A 39 -5.791 5.609 6.039 1.00 0.00 O ATOM 552 CB ASN A 39 -7.686 5.895 8.720 1.00 0.00 C ATOM 553 CG ASN A 39 -8.200 7.225 9.237 1.00 0.00 C ATOM 554 OD1 ASN A 39 -7.401 8.273 9.070 1.00 0.00 O flip ATOM 555 ND2 ASN A 39 -9.302 7.309 9.779 1.00 0.00 N flip ATOM 0 H ASN A 39 -7.314 3.938 6.301 1.00 0.00 H new ATOM 0 HA ASN A 39 -8.780 6.281 6.912 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -8.201 5.084 9.236 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -6.626 5.801 8.957 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -9.882 6.477 9.886 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -9.635 8.210 10.121 1.00 0.00 H new ATOM 562 N MET A 40 -6.689 7.653 6.318 1.00 0.00 N ATOM 563 CA MET A 40 -5.605 8.343 5.628 1.00 0.00 C ATOM 564 C MET A 40 -5.005 9.432 6.511 1.00 0.00 C ATOM 565 O MET A 40 -5.728 10.174 7.175 1.00 0.00 O ATOM 566 CB MET A 40 -6.112 8.953 4.320 1.00 0.00 C ATOM 567 CG MET A 40 -6.083 7.986 3.147 1.00 0.00 C ATOM 568 SD MET A 40 -6.457 8.788 1.576 1.00 0.00 S ATOM 569 CE MET A 40 -8.237 8.607 1.518 1.00 0.00 C ATOM 0 H MET A 40 -7.426 8.266 6.666 1.00 0.00 H new ATOM 0 HA MET A 40 -4.828 7.613 5.403 1.00 0.00 H new ATOM 0 HB2 MET A 40 -7.133 9.305 4.465 1.00 0.00 H new ATOM 0 HB3 MET A 40 -5.506 9.825 4.076 1.00 0.00 H new ATOM 0 HG2 MET A 40 -5.099 7.522 3.088 1.00 0.00 H new ATOM 0 HG3 MET A 40 -6.803 7.186 3.323 1.00 0.00 H new ATOM 0 HE1 MET A 40 -8.619 9.056 0.601 1.00 0.00 H new ATOM 0 HE2 MET A 40 -8.496 7.548 1.539 1.00 0.00 H new ATOM 0 HE3 MET A 40 -8.682 9.107 2.379 1.00 0.00 H new ATOM 579 N MET A 41 -3.679 9.521 6.514 1.00 0.00 N ATOM 580 CA MET A 41 -2.982 10.520 7.316 1.00 0.00 C ATOM 581 C MET A 41 -3.387 11.930 6.899 1.00 0.00 C ATOM 582 O MET A 41 -3.851 12.148 5.779 1.00 0.00 O ATOM 583 CB MET A 41 -1.468 10.350 7.178 1.00 0.00 C ATOM 584 CG MET A 41 -0.682 10.936 8.340 1.00 0.00 C ATOM 585 SD MET A 41 -0.872 9.983 9.859 1.00 0.00 S ATOM 586 CE MET A 41 -0.260 8.384 9.333 1.00 0.00 C ATOM 0 H MET A 41 -3.066 8.914 5.970 1.00 0.00 H new ATOM 0 HA MET A 41 -3.263 10.373 8.359 1.00 0.00 H new ATOM 0 HB2 MET A 41 -1.236 9.288 7.092 1.00 0.00 H new ATOM 0 HB3 MET A 41 -1.140 10.824 6.253 1.00 0.00 H new ATOM 0 HG2 MET A 41 0.374 10.980 8.073 1.00 0.00 H new ATOM 0 HG3 MET A 41 -1.010 11.961 8.515 1.00 0.00 H new ATOM 0 HE1 MET A 41 0.072 7.817 10.203 1.00 0.00 H new ATOM 0 HE2 MET A 41 -1.056 7.838 8.826 1.00 0.00 H new ATOM 0 HE3 MET A 41 0.577 8.522 8.649 1.00 0.00 H new ATOM 596 N HIS A 42 -3.208 12.885 7.806 1.00 0.00 N ATOM 597 CA HIS A 42 -3.555 14.275 7.532 1.00 0.00 C ATOM 598 C HIS A 42 -2.376 15.017 6.909 1.00 0.00 C ATOM 599 O HIS A 42 -2.151 16.193 7.191 1.00 0.00 O ATOM 600 CB HIS A 42 -3.993 14.977 8.817 1.00 0.00 C ATOM 601 CG HIS A 42 -2.849 15.452 9.659 1.00 0.00 C ATOM 602 ND1 HIS A 42 -2.542 16.786 9.829 1.00 0.00 N ATOM 603 CD2 HIS A 42 -1.936 14.763 10.383 1.00 0.00 C ATOM 604 CE1 HIS A 42 -1.489 16.896 10.619 1.00 0.00 C ATOM 605 NE2 HIS A 42 -1.103 15.683 10.970 1.00 0.00 N ATOM 0 H HIS A 42 -2.825 12.722 8.737 1.00 0.00 H new ATOM 0 HA HIS A 42 -4.383 14.283 6.823 1.00 0.00 H new ATOM 0 HB2 HIS A 42 -4.622 15.829 8.560 1.00 0.00 H new ATOM 0 HB3 HIS A 42 -4.606 14.293 9.404 1.00 0.00 H new ATOM 0 HD2 HIS A 42 -1.874 13.689 10.481 1.00 0.00 H new ATOM 0 HE1 HIS A 42 -1.023 17.821 10.926 1.00 0.00 H new ATOM 0 HE2 HIS A 42 -0.314 15.465 11.579 1.00 0.00 H new ATOM 614 N GLY A 43 -1.626 14.320 6.061 1.00 0.00 N ATOM 615 CA GLY A 43 -0.478 14.928 5.413 1.00 0.00 C ATOM 616 C GLY A 43 0.480 13.900 4.846 1.00 0.00 C ATOM 617 O GLY A 43 1.691 14.115 4.825 1.00 0.00 O ATOM 0 H GLY A 43 -1.793 13.345 5.811 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -0.821 15.581 4.611 1.00 0.00 H new ATOM 0 HA3 GLY A 43 0.050 15.555 6.131 1.00 0.00 H new ATOM 621 N GLY A 44 -0.063 12.776 4.386 1.00 0.00 N ATOM 622 CA GLY A 44 0.767 11.727 3.825 1.00 0.00 C ATOM 623 C GLY A 44 0.687 11.671 2.312 1.00 0.00 C ATOM 624 O GLY A 44 -0.015 12.458 1.677 1.00 0.00 O ATOM 0 H GLY A 44 -1.063 12.574 4.392 1.00 0.00 H new ATOM 0 HA2 GLY A 44 1.802 11.888 4.125 1.00 0.00 H new ATOM 0 HA3 GLY A 44 0.461 10.766 4.238 1.00 0.00 H new ATOM 628 N PRO A 45 1.421 10.723 1.711 1.00 0.00 N ATOM 629 CA PRO A 45 1.448 10.546 0.256 1.00 0.00 C ATOM 630 C PRO A 45 0.129 10.007 -0.287 1.00 0.00 C ATOM 631 O PRO A 45 -0.267 10.322 -1.408 1.00 0.00 O ATOM 632 CB PRO A 45 2.570 9.528 0.043 1.00 0.00 C ATOM 633 CG PRO A 45 2.643 8.770 1.324 1.00 0.00 C ATOM 634 CD PRO A 45 2.281 9.751 2.406 1.00 0.00 C ATOM 0 HA PRO A 45 1.606 11.490 -0.266 1.00 0.00 H new ATOM 0 HB2 PRO A 45 2.351 8.867 -0.796 1.00 0.00 H new ATOM 0 HB3 PRO A 45 3.516 10.022 -0.179 1.00 0.00 H new ATOM 0 HG2 PRO A 45 1.955 7.925 1.317 1.00 0.00 H new ATOM 0 HG3 PRO A 45 3.643 8.366 1.482 1.00 0.00 H new ATOM 0 HD2 PRO A 45 1.756 9.266 3.229 1.00 0.00 H new ATOM 0 HD3 PRO A 45 3.165 10.227 2.829 1.00 0.00 H new ATOM 642 N ALA A 46 -0.547 9.192 0.517 1.00 0.00 N ATOM 643 CA ALA A 46 -1.823 8.611 0.118 1.00 0.00 C ATOM 644 C ALA A 46 -2.940 9.648 0.174 1.00 0.00 C ATOM 645 O ALA A 46 -3.737 9.766 -0.756 1.00 0.00 O ATOM 646 CB ALA A 46 -2.161 7.420 1.002 1.00 0.00 C ATOM 0 H ALA A 46 -0.232 8.919 1.448 1.00 0.00 H new ATOM 0 HA ALA A 46 -1.731 8.269 -0.913 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -3.116 6.997 0.692 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -1.381 6.664 0.908 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -2.228 7.745 2.040 1.00 0.00 H new ATOM 652 N GLU A 47 -2.992 10.396 1.272 1.00 0.00 N ATOM 653 CA GLU A 47 -4.014 11.422 1.449 1.00 0.00 C ATOM 654 C GLU A 47 -3.893 12.500 0.376 1.00 0.00 C ATOM 655 O GLU A 47 -4.895 13.045 -0.088 1.00 0.00 O ATOM 656 CB GLU A 47 -3.898 12.053 2.838 1.00 0.00 C ATOM 657 CG GLU A 47 -4.773 13.282 3.022 1.00 0.00 C ATOM 658 CD GLU A 47 -6.148 12.944 3.565 1.00 0.00 C ATOM 659 OE1 GLU A 47 -7.041 12.614 2.758 1.00 0.00 O ATOM 660 OE2 GLU A 47 -6.329 13.009 4.799 1.00 0.00 O ATOM 0 H GLU A 47 -2.339 10.311 2.051 1.00 0.00 H new ATOM 0 HA GLU A 47 -4.991 10.948 1.354 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -4.167 11.310 3.589 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -2.858 12.327 3.018 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -4.279 13.977 3.701 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -4.880 13.794 2.065 1.00 0.00 H new ATOM 667 N LYS A 48 -2.660 12.804 -0.014 1.00 0.00 N ATOM 668 CA LYS A 48 -2.406 13.816 -1.032 1.00 0.00 C ATOM 669 C LYS A 48 -2.577 13.234 -2.432 1.00 0.00 C ATOM 670 O LYS A 48 -3.117 13.888 -3.324 1.00 0.00 O ATOM 671 CB LYS A 48 -0.995 14.385 -0.874 1.00 0.00 C ATOM 672 CG LYS A 48 -0.882 15.440 0.214 1.00 0.00 C ATOM 673 CD LYS A 48 0.562 15.853 0.443 1.00 0.00 C ATOM 674 CE LYS A 48 1.244 14.953 1.462 1.00 0.00 C ATOM 675 NZ LYS A 48 2.430 15.610 2.077 1.00 0.00 N ATOM 0 H LYS A 48 -1.820 12.363 0.360 1.00 0.00 H new ATOM 0 HA LYS A 48 -3.132 14.619 -0.900 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -0.307 13.570 -0.651 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -0.679 14.818 -1.823 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -1.472 16.314 -0.063 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -1.302 15.053 1.142 1.00 0.00 H new ATOM 0 HD2 LYS A 48 1.107 15.814 -0.500 1.00 0.00 H new ATOM 0 HD3 LYS A 48 0.596 16.886 0.788 1.00 0.00 H new ATOM 0 HE2 LYS A 48 0.532 14.684 2.243 1.00 0.00 H new ATOM 0 HE3 LYS A 48 1.552 14.026 0.979 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 2.510 15.320 3.072 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 3.289 15.327 1.563 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 2.320 16.643 2.025 1.00 0.00 H new ATOM 689 N SER A 49 -2.115 12.002 -2.616 1.00 0.00 N ATOM 690 CA SER A 49 -2.215 11.333 -3.908 1.00 0.00 C ATOM 691 C SER A 49 -3.641 11.402 -4.447 1.00 0.00 C ATOM 692 O SER A 49 -3.859 11.691 -5.622 1.00 0.00 O ATOM 693 CB SER A 49 -1.774 9.873 -3.786 1.00 0.00 C ATOM 694 OG SER A 49 -2.536 9.190 -2.806 1.00 0.00 O ATOM 0 H SER A 49 -1.668 11.446 -1.887 1.00 0.00 H new ATOM 0 HA SER A 49 -1.556 11.847 -4.607 1.00 0.00 H new ATOM 0 HB2 SER A 49 -1.884 9.375 -4.749 1.00 0.00 H new ATOM 0 HB3 SER A 49 -0.717 9.830 -3.524 1.00 0.00 H new ATOM 0 HG SER A 49 -2.963 9.841 -2.211 1.00 0.00 H new ATOM 700 N GLY A 50 -4.609 11.133 -3.576 1.00 0.00 N ATOM 701 CA GLY A 50 -6.002 11.169 -3.981 1.00 0.00 C ATOM 702 C GLY A 50 -6.344 10.082 -4.981 1.00 0.00 C ATOM 703 O GLY A 50 -7.405 10.112 -5.604 1.00 0.00 O ATOM 0 H GLY A 50 -4.453 10.891 -2.597 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -6.636 11.061 -3.101 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -6.225 12.143 -4.417 1.00 0.00 H new ATOM 707 N LYS A 51 -5.441 9.120 -5.137 1.00 0.00 N ATOM 708 CA LYS A 51 -5.651 8.018 -6.069 1.00 0.00 C ATOM 709 C LYS A 51 -6.599 6.980 -5.479 1.00 0.00 C ATOM 710 O LYS A 51 -7.213 6.199 -6.208 1.00 0.00 O ATOM 711 CB LYS A 51 -4.314 7.361 -6.422 1.00 0.00 C ATOM 712 CG LYS A 51 -3.252 8.348 -6.875 1.00 0.00 C ATOM 713 CD LYS A 51 -3.285 8.550 -8.381 1.00 0.00 C ATOM 714 CE LYS A 51 -4.204 9.697 -8.769 1.00 0.00 C ATOM 715 NZ LYS A 51 -4.301 9.854 -10.247 1.00 0.00 N ATOM 0 H LYS A 51 -4.557 9.081 -4.630 1.00 0.00 H new ATOM 0 HA LYS A 51 -6.102 8.422 -6.976 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -3.945 6.817 -5.552 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -4.477 6.627 -7.211 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -3.406 9.304 -6.375 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -2.268 7.987 -6.577 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -2.277 8.751 -8.744 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -3.621 7.633 -8.865 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -5.198 9.522 -8.356 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -3.835 10.623 -8.329 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -4.937 10.646 -10.471 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -3.357 10.046 -10.638 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -4.677 8.979 -10.665 1.00 0.00 H new ATOM 729 N LEU A 52 -6.717 6.976 -4.155 1.00 0.00 N ATOM 730 CA LEU A 52 -7.593 6.035 -3.467 1.00 0.00 C ATOM 731 C LEU A 52 -8.575 6.768 -2.560 1.00 0.00 C ATOM 732 O LEU A 52 -8.576 7.997 -2.495 1.00 0.00 O ATOM 733 CB LEU A 52 -6.765 5.044 -2.646 1.00 0.00 C ATOM 734 CG LEU A 52 -5.583 5.634 -1.876 1.00 0.00 C ATOM 735 CD1 LEU A 52 -4.458 6.009 -2.828 1.00 0.00 C ATOM 736 CD2 LEU A 52 -6.025 6.845 -1.067 1.00 0.00 C ATOM 0 H LEU A 52 -6.216 7.615 -3.537 1.00 0.00 H new ATOM 0 HA LEU A 52 -8.161 5.489 -4.220 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -7.427 4.550 -1.934 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -6.387 4.273 -3.317 1.00 0.00 H new ATOM 0 HG LEU A 52 -5.210 4.877 -1.186 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -3.626 6.427 -2.261 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -4.123 5.120 -3.363 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -4.818 6.749 -3.543 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -5.171 7.252 -0.525 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -6.425 7.605 -1.738 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -6.796 6.546 -0.357 1.00 0.00 H new ATOM 748 N ASN A 53 -9.410 6.006 -1.861 1.00 0.00 N ATOM 749 CA ASN A 53 -10.397 6.583 -0.956 1.00 0.00 C ATOM 750 C ASN A 53 -10.786 5.587 0.132 1.00 0.00 C ATOM 751 O ASN A 53 -10.617 4.378 -0.030 1.00 0.00 O ATOM 752 CB ASN A 53 -11.640 7.018 -1.734 1.00 0.00 C ATOM 753 CG ASN A 53 -11.318 7.422 -3.160 1.00 0.00 C ATOM 754 OD1 ASN A 53 -10.773 6.488 -3.931 1.00 0.00 O flip ATOM 755 ND2 ASN A 53 -11.557 8.560 -3.563 1.00 0.00 N flip ATOM 0 H ASN A 53 -9.423 4.987 -1.904 1.00 0.00 H new ATOM 0 HA ASN A 53 -9.950 7.456 -0.481 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -12.362 6.202 -1.745 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -12.112 7.855 -1.220 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -11.977 9.246 -2.935 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -11.335 8.817 -4.525 1.00 0.00 H new ATOM 762 N ILE A 54 -11.308 6.103 1.240 1.00 0.00 N ATOM 763 CA ILE A 54 -11.723 5.259 2.353 1.00 0.00 C ATOM 764 C ILE A 54 -12.750 4.224 1.906 1.00 0.00 C ATOM 765 O ILE A 54 -13.905 4.555 1.640 1.00 0.00 O ATOM 766 CB ILE A 54 -12.319 6.094 3.501 1.00 0.00 C ATOM 767 CG1 ILE A 54 -11.359 7.218 3.896 1.00 0.00 C ATOM 768 CG2 ILE A 54 -12.625 5.207 4.699 1.00 0.00 C ATOM 769 CD1 ILE A 54 -10.039 6.721 4.443 1.00 0.00 C ATOM 0 H ILE A 54 -11.453 7.101 1.390 1.00 0.00 H new ATOM 0 HA ILE A 54 -10.829 4.749 2.712 1.00 0.00 H new ATOM 0 HB ILE A 54 -13.251 6.542 3.157 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -11.169 7.845 3.025 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -11.839 7.848 4.644 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -13.046 5.812 5.502 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -13.342 4.439 4.409 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -11.706 4.733 5.045 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -9.409 7.572 4.702 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -10.218 6.118 5.333 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -9.538 6.115 3.689 1.00 0.00 H new ATOM 781 N GLY A 55 -12.321 2.968 1.826 1.00 0.00 N ATOM 782 CA GLY A 55 -13.216 1.903 1.413 1.00 0.00 C ATOM 783 C GLY A 55 -12.676 1.117 0.235 1.00 0.00 C ATOM 784 O GLY A 55 -12.997 -0.060 0.065 1.00 0.00 O ATOM 0 H GLY A 55 -11.369 2.669 2.040 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -13.383 1.227 2.251 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -14.184 2.328 1.149 1.00 0.00 H new ATOM 788 N ASP A 56 -11.855 1.767 -0.582 1.00 0.00 N ATOM 789 CA ASP A 56 -11.269 1.121 -1.751 1.00 0.00 C ATOM 790 C ASP A 56 -10.336 -0.012 -1.336 1.00 0.00 C ATOM 791 O ASP A 56 -9.678 0.063 -0.298 1.00 0.00 O ATOM 792 CB ASP A 56 -10.506 2.143 -2.596 1.00 0.00 C ATOM 793 CG ASP A 56 -11.377 2.779 -3.661 1.00 0.00 C ATOM 794 OD1 ASP A 56 -12.577 2.999 -3.393 1.00 0.00 O ATOM 795 OD2 ASP A 56 -10.860 3.056 -4.764 1.00 0.00 O ATOM 0 H ASP A 56 -11.580 2.741 -0.457 1.00 0.00 H new ATOM 0 HA ASP A 56 -12.079 0.700 -2.347 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -10.105 2.921 -1.946 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -9.655 1.655 -3.071 1.00 0.00 H new ATOM 800 N GLN A 57 -10.286 -1.060 -2.151 1.00 0.00 N ATOM 801 CA GLN A 57 -9.436 -2.209 -1.867 1.00 0.00 C ATOM 802 C GLN A 57 -8.299 -2.309 -2.879 1.00 0.00 C ATOM 803 O GLN A 57 -8.433 -1.870 -4.022 1.00 0.00 O ATOM 804 CB GLN A 57 -10.261 -3.497 -1.879 1.00 0.00 C ATOM 805 CG GLN A 57 -10.322 -4.167 -3.242 1.00 0.00 C ATOM 806 CD GLN A 57 -11.501 -5.111 -3.376 1.00 0.00 C ATOM 807 OE1 GLN A 57 -12.568 -4.727 -3.856 1.00 0.00 O ATOM 808 NE2 GLN A 57 -11.314 -6.355 -2.952 1.00 0.00 N ATOM 0 H GLN A 57 -10.825 -1.137 -3.014 1.00 0.00 H new ATOM 0 HA GLN A 57 -9.004 -2.073 -0.876 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -9.838 -4.196 -1.158 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -11.275 -3.272 -1.548 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -10.384 -3.402 -4.016 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -9.398 -4.719 -3.413 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -10.413 -6.630 -2.561 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -12.071 -7.035 -3.017 1.00 0.00 H new ATOM 817 N ILE A 58 -7.183 -2.890 -2.453 1.00 0.00 N ATOM 818 CA ILE A 58 -6.024 -3.048 -3.323 1.00 0.00 C ATOM 819 C ILE A 58 -5.961 -4.457 -3.903 1.00 0.00 C ATOM 820 O ILE A 58 -5.860 -5.438 -3.167 1.00 0.00 O ATOM 821 CB ILE A 58 -4.712 -2.754 -2.572 1.00 0.00 C ATOM 822 CG1 ILE A 58 -4.835 -1.454 -1.775 1.00 0.00 C ATOM 823 CG2 ILE A 58 -3.549 -2.675 -3.549 1.00 0.00 C ATOM 824 CD1 ILE A 58 -3.640 -1.172 -0.891 1.00 0.00 C ATOM 0 H ILE A 58 -7.057 -3.259 -1.511 1.00 0.00 H new ATOM 0 HA ILE A 58 -6.137 -2.329 -4.134 1.00 0.00 H new ATOM 0 HB ILE A 58 -4.520 -3.569 -1.874 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -4.968 -0.623 -2.468 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -5.731 -1.500 -1.157 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -2.629 -2.467 -3.003 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -3.451 -3.624 -4.076 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -3.732 -1.877 -4.269 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -3.796 -0.235 -0.356 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -3.518 -1.984 -0.174 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -2.743 -1.094 -1.506 1.00 0.00 H new ATOM 836 N MET A 59 -6.018 -4.549 -5.227 1.00 0.00 N ATOM 837 CA MET A 59 -5.964 -5.838 -5.907 1.00 0.00 C ATOM 838 C MET A 59 -4.563 -6.437 -5.826 1.00 0.00 C ATOM 839 O MET A 59 -4.401 -7.628 -5.561 1.00 0.00 O ATOM 840 CB MET A 59 -6.382 -5.685 -7.370 1.00 0.00 C ATOM 841 CG MET A 59 -7.880 -5.825 -7.592 1.00 0.00 C ATOM 842 SD MET A 59 -8.372 -7.520 -7.959 1.00 0.00 S ATOM 843 CE MET A 59 -8.422 -8.222 -6.311 1.00 0.00 C ATOM 0 H MET A 59 -6.102 -3.746 -5.851 1.00 0.00 H new ATOM 0 HA MET A 59 -6.658 -6.514 -5.407 1.00 0.00 H new ATOM 0 HB2 MET A 59 -6.059 -4.709 -7.731 1.00 0.00 H new ATOM 0 HB3 MET A 59 -5.863 -6.434 -7.968 1.00 0.00 H new ATOM 0 HG2 MET A 59 -8.409 -5.482 -6.703 1.00 0.00 H new ATOM 0 HG3 MET A 59 -8.184 -5.177 -8.414 1.00 0.00 H new ATOM 0 HE1 MET A 59 -8.943 -9.179 -6.339 1.00 0.00 H new ATOM 0 HE2 MET A 59 -7.405 -8.373 -5.949 1.00 0.00 H new ATOM 0 HE3 MET A 59 -8.948 -7.542 -5.642 1.00 0.00 H new ATOM 853 N SER A 60 -3.554 -5.603 -6.056 1.00 0.00 N ATOM 854 CA SER A 60 -2.167 -6.051 -6.013 1.00 0.00 C ATOM 855 C SER A 60 -1.231 -4.891 -5.689 1.00 0.00 C ATOM 856 O SER A 60 -1.661 -3.742 -5.589 1.00 0.00 O ATOM 857 CB SER A 60 -1.772 -6.683 -7.349 1.00 0.00 C ATOM 858 OG SER A 60 -2.088 -5.825 -8.432 1.00 0.00 O ATOM 0 H SER A 60 -3.671 -4.613 -6.274 1.00 0.00 H new ATOM 0 HA SER A 60 -2.076 -6.798 -5.225 1.00 0.00 H new ATOM 0 HB2 SER A 60 -0.703 -6.898 -7.351 1.00 0.00 H new ATOM 0 HB3 SER A 60 -2.289 -7.635 -7.472 1.00 0.00 H new ATOM 0 HG SER A 60 -1.824 -6.251 -9.274 1.00 0.00 H new ATOM 864 N ILE A 61 0.051 -5.201 -5.527 1.00 0.00 N ATOM 865 CA ILE A 61 1.049 -4.185 -5.215 1.00 0.00 C ATOM 866 C ILE A 61 2.277 -4.329 -6.108 1.00 0.00 C ATOM 867 O ILE A 61 3.080 -5.244 -5.933 1.00 0.00 O ATOM 868 CB ILE A 61 1.488 -4.261 -3.741 1.00 0.00 C ATOM 869 CG1 ILE A 61 0.318 -3.909 -2.819 1.00 0.00 C ATOM 870 CG2 ILE A 61 2.665 -3.330 -3.490 1.00 0.00 C ATOM 871 CD1 ILE A 61 0.651 -4.028 -1.348 1.00 0.00 C ATOM 0 H ILE A 61 0.423 -6.147 -5.607 1.00 0.00 H new ATOM 0 HA ILE A 61 0.582 -3.217 -5.397 1.00 0.00 H new ATOM 0 HB ILE A 61 1.804 -5.281 -3.524 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -0.005 -2.889 -3.029 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -0.523 -4.563 -3.047 1.00 0.00 H new ATOM 0 HG21 ILE A 61 2.964 -3.395 -2.444 1.00 0.00 H new ATOM 0 HG22 ILE A 61 3.502 -3.622 -4.125 1.00 0.00 H new ATOM 0 HG23 ILE A 61 2.374 -2.305 -3.721 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -0.224 -3.764 -0.754 1.00 0.00 H new ATOM 0 HD12 ILE A 61 0.946 -5.053 -1.123 1.00 0.00 H new ATOM 0 HD13 ILE A 61 1.472 -3.353 -1.105 1.00 0.00 H new ATOM 883 N ASN A 62 2.416 -3.416 -7.064 1.00 0.00 N ATOM 884 CA ASN A 62 3.548 -3.440 -7.984 1.00 0.00 C ATOM 885 C ASN A 62 3.595 -4.756 -8.754 1.00 0.00 C ATOM 886 O ASN A 62 4.660 -5.202 -9.179 1.00 0.00 O ATOM 887 CB ASN A 62 4.858 -3.237 -7.219 1.00 0.00 C ATOM 888 CG ASN A 62 5.112 -1.780 -6.885 1.00 0.00 C ATOM 889 OD1 ASN A 62 4.486 -0.883 -7.451 1.00 0.00 O ATOM 890 ND2 ASN A 62 6.034 -1.537 -5.961 1.00 0.00 N ATOM 0 H ASN A 62 1.760 -2.651 -7.222 1.00 0.00 H new ATOM 0 HA ASN A 62 3.422 -2.626 -8.698 1.00 0.00 H new ATOM 0 HB2 ASN A 62 4.832 -3.819 -6.298 1.00 0.00 H new ATOM 0 HB3 ASN A 62 5.687 -3.620 -7.814 1.00 0.00 H new ATOM 0 HD21 ASN A 62 6.248 -0.576 -5.694 1.00 0.00 H new ATOM 0 HD22 ASN A 62 6.528 -2.311 -5.518 1.00 0.00 H new ATOM 897 N GLY A 63 2.431 -5.374 -8.931 1.00 0.00 N ATOM 898 CA GLY A 63 2.361 -6.633 -9.651 1.00 0.00 C ATOM 899 C GLY A 63 2.315 -7.830 -8.722 1.00 0.00 C ATOM 900 O GLY A 63 2.495 -8.969 -9.154 1.00 0.00 O ATOM 0 H GLY A 63 1.535 -5.026 -8.589 1.00 0.00 H new ATOM 0 HA2 GLY A 63 1.475 -6.636 -10.286 1.00 0.00 H new ATOM 0 HA3 GLY A 63 3.226 -6.720 -10.309 1.00 0.00 H new ATOM 904 N THR A 64 2.075 -7.573 -7.440 1.00 0.00 N ATOM 905 CA THR A 64 2.009 -8.638 -6.446 1.00 0.00 C ATOM 906 C THR A 64 0.613 -8.742 -5.844 1.00 0.00 C ATOM 907 O THR A 64 0.209 -7.903 -5.039 1.00 0.00 O ATOM 908 CB THR A 64 3.029 -8.413 -5.314 1.00 0.00 C ATOM 909 OG1 THR A 64 4.349 -8.305 -5.858 1.00 0.00 O ATOM 910 CG2 THR A 64 2.981 -9.554 -4.309 1.00 0.00 C ATOM 0 H THR A 64 1.923 -6.637 -7.065 1.00 0.00 H new ATOM 0 HA THR A 64 2.249 -9.568 -6.962 1.00 0.00 H new ATOM 0 HB THR A 64 2.771 -7.486 -4.801 1.00 0.00 H new ATOM 0 HG1 THR A 64 4.991 -8.160 -5.132 1.00 0.00 H new ATOM 0 HG21 THR A 64 3.710 -9.374 -3.519 1.00 0.00 H new ATOM 0 HG22 THR A 64 1.983 -9.615 -3.875 1.00 0.00 H new ATOM 0 HG23 THR A 64 3.216 -10.492 -4.812 1.00 0.00 H new ATOM 918 N SER A 65 -0.121 -9.778 -6.239 1.00 0.00 N ATOM 919 CA SER A 65 -1.474 -9.991 -5.740 1.00 0.00 C ATOM 920 C SER A 65 -1.472 -10.181 -4.226 1.00 0.00 C ATOM 921 O SER A 65 -0.600 -10.854 -3.675 1.00 0.00 O ATOM 922 CB SER A 65 -2.105 -11.209 -6.417 1.00 0.00 C ATOM 923 OG SER A 65 -1.270 -12.348 -6.297 1.00 0.00 O ATOM 0 H SER A 65 0.199 -10.483 -6.903 1.00 0.00 H new ATOM 0 HA SER A 65 -2.065 -9.106 -5.977 1.00 0.00 H new ATOM 0 HB2 SER A 65 -3.076 -11.417 -5.967 1.00 0.00 H new ATOM 0 HB3 SER A 65 -2.281 -10.993 -7.471 1.00 0.00 H new ATOM 0 HG SER A 65 -1.696 -13.114 -6.736 1.00 0.00 H new ATOM 929 N LEU A 66 -2.453 -9.583 -3.559 1.00 0.00 N ATOM 930 CA LEU A 66 -2.565 -9.685 -2.109 1.00 0.00 C ATOM 931 C LEU A 66 -3.654 -10.678 -1.716 1.00 0.00 C ATOM 932 O LEU A 66 -3.605 -11.277 -0.641 1.00 0.00 O ATOM 933 CB LEU A 66 -2.867 -8.313 -1.503 1.00 0.00 C ATOM 934 CG LEU A 66 -2.071 -7.138 -2.071 1.00 0.00 C ATOM 935 CD1 LEU A 66 -2.550 -5.827 -1.469 1.00 0.00 C ATOM 936 CD2 LEU A 66 -0.582 -7.331 -1.819 1.00 0.00 C ATOM 0 H LEU A 66 -3.182 -9.022 -4.000 1.00 0.00 H new ATOM 0 HA LEU A 66 -1.613 -10.045 -1.720 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -3.929 -8.105 -1.636 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -2.685 -8.364 -0.430 1.00 0.00 H new ATOM 0 HG LEU A 66 -2.235 -7.100 -3.148 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -1.971 -5.002 -1.886 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -3.605 -5.684 -1.702 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -2.417 -5.853 -0.387 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -0.031 -6.485 -2.230 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -0.400 -7.396 -0.746 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -0.248 -8.250 -2.300 1.00 0.00 H new ATOM 948 N VAL A 67 -4.637 -10.849 -2.594 1.00 0.00 N ATOM 949 CA VAL A 67 -5.737 -11.772 -2.341 1.00 0.00 C ATOM 950 C VAL A 67 -5.248 -13.027 -1.628 1.00 0.00 C ATOM 951 O VAL A 67 -4.368 -13.732 -2.121 1.00 0.00 O ATOM 952 CB VAL A 67 -6.440 -12.179 -3.649 1.00 0.00 C ATOM 953 CG1 VAL A 67 -5.424 -12.368 -4.765 1.00 0.00 C ATOM 954 CG2 VAL A 67 -7.258 -13.445 -3.442 1.00 0.00 C ATOM 0 H VAL A 67 -4.694 -10.360 -3.487 1.00 0.00 H new ATOM 0 HA VAL A 67 -6.449 -11.249 -1.702 1.00 0.00 H new ATOM 0 HB VAL A 67 -7.119 -11.378 -3.940 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -5.939 -12.655 -5.681 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -4.886 -11.434 -4.929 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -4.718 -13.150 -4.486 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -7.748 -13.718 -4.376 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -6.601 -14.255 -3.126 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -8.012 -13.270 -2.675 1.00 0.00 H new ATOM 964 N GLY A 68 -5.825 -13.302 -0.462 1.00 0.00 N ATOM 965 CA GLY A 68 -5.435 -14.473 0.301 1.00 0.00 C ATOM 966 C GLY A 68 -4.470 -14.140 1.422 1.00 0.00 C ATOM 967 O GLY A 68 -4.569 -14.689 2.520 1.00 0.00 O ATOM 0 H GLY A 68 -6.556 -12.735 -0.032 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -6.325 -14.943 0.720 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -4.974 -15.201 -0.367 1.00 0.00 H new ATOM 971 N LEU A 69 -3.533 -13.241 1.146 1.00 0.00 N ATOM 972 CA LEU A 69 -2.544 -12.836 2.139 1.00 0.00 C ATOM 973 C LEU A 69 -3.216 -12.179 3.340 1.00 0.00 C ATOM 974 O LEU A 69 -4.188 -11.436 3.209 1.00 0.00 O ATOM 975 CB LEU A 69 -1.532 -11.872 1.517 1.00 0.00 C ATOM 976 CG LEU A 69 -0.564 -12.480 0.500 1.00 0.00 C ATOM 977 CD1 LEU A 69 0.370 -11.413 -0.050 1.00 0.00 C ATOM 978 CD2 LEU A 69 0.230 -13.614 1.131 1.00 0.00 C ATOM 0 H LEU A 69 -3.437 -12.778 0.242 1.00 0.00 H new ATOM 0 HA LEU A 69 -2.022 -13.730 2.481 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -2.080 -11.066 1.030 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -0.949 -11.421 2.320 1.00 0.00 H new ATOM 0 HG LEU A 69 -1.144 -12.888 -0.328 1.00 0.00 H new ATOM 0 HD11 LEU A 69 1.052 -11.863 -0.772 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -0.215 -10.635 -0.540 1.00 0.00 H new ATOM 0 HD13 LEU A 69 0.944 -10.976 0.767 1.00 0.00 H new ATOM 0 HD21 LEU A 69 0.913 -14.034 0.393 1.00 0.00 H new ATOM 0 HD22 LEU A 69 0.801 -13.232 1.977 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -0.454 -14.390 1.475 1.00 0.00 H new ATOM 990 N PRO A 70 -2.685 -12.458 4.541 1.00 0.00 N ATOM 991 CA PRO A 70 -3.217 -11.902 5.789 1.00 0.00 C ATOM 992 C PRO A 70 -2.958 -10.404 5.913 1.00 0.00 C ATOM 993 O PRO A 70 -2.079 -9.858 5.245 1.00 0.00 O ATOM 994 CB PRO A 70 -2.452 -12.668 6.872 1.00 0.00 C ATOM 995 CG PRO A 70 -1.183 -13.087 6.214 1.00 0.00 C ATOM 996 CD PRO A 70 -1.526 -13.336 4.771 1.00 0.00 C ATOM 0 HA PRO A 70 -4.300 -12.010 5.855 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -2.259 -12.038 7.741 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -3.019 -13.530 7.223 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -0.422 -12.312 6.306 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -0.780 -13.986 6.680 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -0.695 -13.086 4.111 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -1.772 -14.382 4.591 1.00 0.00 H new ATOM 1004 N LEU A 71 -3.729 -9.745 6.771 1.00 0.00 N ATOM 1005 CA LEU A 71 -3.583 -8.309 6.983 1.00 0.00 C ATOM 1006 C LEU A 71 -2.163 -7.965 7.421 1.00 0.00 C ATOM 1007 O LEU A 71 -1.597 -6.958 6.993 1.00 0.00 O ATOM 1008 CB LEU A 71 -4.584 -7.824 8.032 1.00 0.00 C ATOM 1009 CG LEU A 71 -4.579 -6.323 8.322 1.00 0.00 C ATOM 1010 CD1 LEU A 71 -4.917 -5.535 7.065 1.00 0.00 C ATOM 1011 CD2 LEU A 71 -5.557 -5.992 9.440 1.00 0.00 C ATOM 0 H LEU A 71 -4.461 -10.182 7.331 1.00 0.00 H new ATOM 0 HA LEU A 71 -3.784 -7.805 6.038 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -5.585 -8.108 7.708 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -4.388 -8.354 8.964 1.00 0.00 H new ATOM 0 HG LEU A 71 -3.578 -6.039 8.646 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -4.909 -4.469 7.291 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -4.178 -5.748 6.292 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -5.907 -5.823 6.710 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -5.540 -4.919 9.633 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -6.562 -6.292 9.144 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -5.270 -6.528 10.345 1.00 0.00 H new ATOM 1023 N SER A 72 -1.591 -8.808 8.274 1.00 0.00 N ATOM 1024 CA SER A 72 -0.238 -8.593 8.772 1.00 0.00 C ATOM 1025 C SER A 72 0.776 -8.660 7.634 1.00 0.00 C ATOM 1026 O SER A 72 1.724 -7.876 7.583 1.00 0.00 O ATOM 1027 CB SER A 72 0.107 -9.632 9.840 1.00 0.00 C ATOM 1028 OG SER A 72 -0.919 -9.723 10.813 1.00 0.00 O ATOM 0 H SER A 72 -2.044 -9.647 8.635 1.00 0.00 H new ATOM 0 HA SER A 72 -0.195 -7.599 9.216 1.00 0.00 H new ATOM 0 HB2 SER A 72 0.255 -10.605 9.371 1.00 0.00 H new ATOM 0 HB3 SER A 72 1.047 -9.364 10.322 1.00 0.00 H new ATOM 0 HG SER A 72 -0.675 -10.395 11.483 1.00 0.00 H new ATOM 1034 N THR A 73 0.570 -9.605 6.721 1.00 0.00 N ATOM 1035 CA THR A 73 1.465 -9.777 5.584 1.00 0.00 C ATOM 1036 C THR A 73 1.345 -8.613 4.608 1.00 0.00 C ATOM 1037 O THR A 73 2.322 -7.913 4.338 1.00 0.00 O ATOM 1038 CB THR A 73 1.176 -11.092 4.836 1.00 0.00 C ATOM 1039 OG1 THR A 73 1.680 -12.203 5.585 1.00 0.00 O ATOM 1040 CG2 THR A 73 1.808 -11.078 3.452 1.00 0.00 C ATOM 0 H THR A 73 -0.209 -10.263 6.748 1.00 0.00 H new ATOM 0 HA THR A 73 2.479 -9.809 5.982 1.00 0.00 H new ATOM 0 HB THR A 73 0.096 -11.190 4.724 1.00 0.00 H new ATOM 0 HG1 THR A 73 1.491 -13.035 5.103 1.00 0.00 H new ATOM 0 HG21 THR A 73 1.590 -12.017 2.943 1.00 0.00 H new ATOM 0 HG22 THR A 73 1.400 -10.249 2.874 1.00 0.00 H new ATOM 0 HG23 THR A 73 2.887 -10.958 3.546 1.00 0.00 H new ATOM 1048 N CYS A 74 0.142 -8.410 4.081 1.00 0.00 N ATOM 1049 CA CYS A 74 -0.106 -7.329 3.134 1.00 0.00 C ATOM 1050 C CYS A 74 0.401 -5.999 3.682 1.00 0.00 C ATOM 1051 O CYS A 74 0.992 -5.203 2.953 1.00 0.00 O ATOM 1052 CB CYS A 74 -1.600 -7.230 2.821 1.00 0.00 C ATOM 1053 SG CYS A 74 -2.356 -8.795 2.323 1.00 0.00 S ATOM 0 H CYS A 74 -0.677 -8.980 4.294 1.00 0.00 H new ATOM 0 HA CYS A 74 0.436 -7.552 2.215 1.00 0.00 H new ATOM 0 HB2 CYS A 74 -2.120 -6.852 3.701 1.00 0.00 H new ATOM 0 HB3 CYS A 74 -1.746 -6.499 2.026 1.00 0.00 H new ATOM 0 HG CYS A 74 -2.407 -9.597 3.345 1.00 0.00 H new ATOM 1059 N GLN A 75 0.164 -5.766 4.969 1.00 0.00 N ATOM 1060 CA GLN A 75 0.595 -4.531 5.613 1.00 0.00 C ATOM 1061 C GLN A 75 2.089 -4.303 5.408 1.00 0.00 C ATOM 1062 O GLN A 75 2.533 -3.173 5.209 1.00 0.00 O ATOM 1063 CB GLN A 75 0.273 -4.572 7.108 1.00 0.00 C ATOM 1064 CG GLN A 75 -1.104 -4.026 7.448 1.00 0.00 C ATOM 1065 CD GLN A 75 -1.226 -3.617 8.903 1.00 0.00 C ATOM 1066 OE1 GLN A 75 -0.224 -3.423 9.592 1.00 0.00 O ATOM 1067 NE2 GLN A 75 -2.458 -3.485 9.380 1.00 0.00 N ATOM 0 H GLN A 75 -0.324 -6.416 5.586 1.00 0.00 H new ATOM 0 HA GLN A 75 0.054 -3.703 5.155 1.00 0.00 H new ATOM 0 HB2 GLN A 75 0.343 -5.602 7.458 1.00 0.00 H new ATOM 0 HB3 GLN A 75 1.026 -3.999 7.649 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -1.316 -3.166 6.814 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -1.856 -4.782 7.223 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -3.261 -3.656 8.774 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -2.602 -3.213 10.352 1.00 0.00 H new ATOM 1076 N SER A 76 2.861 -5.385 5.460 1.00 0.00 N ATOM 1077 CA SER A 76 4.306 -5.302 5.284 1.00 0.00 C ATOM 1078 C SER A 76 4.658 -4.932 3.847 1.00 0.00 C ATOM 1079 O SER A 76 5.518 -4.084 3.606 1.00 0.00 O ATOM 1080 CB SER A 76 4.963 -6.633 5.656 1.00 0.00 C ATOM 1081 OG SER A 76 6.331 -6.454 5.977 1.00 0.00 O ATOM 0 H SER A 76 2.509 -6.329 5.623 1.00 0.00 H new ATOM 0 HA SER A 76 4.684 -4.521 5.944 1.00 0.00 H new ATOM 0 HB2 SER A 76 4.442 -7.075 6.505 1.00 0.00 H new ATOM 0 HB3 SER A 76 4.870 -7.333 4.826 1.00 0.00 H new ATOM 0 HG SER A 76 6.728 -7.319 6.213 1.00 0.00 H new ATOM 1087 N ILE A 77 3.988 -5.574 2.896 1.00 0.00 N ATOM 1088 CA ILE A 77 4.229 -5.312 1.482 1.00 0.00 C ATOM 1089 C ILE A 77 3.914 -3.862 1.130 1.00 0.00 C ATOM 1090 O ILE A 77 4.320 -3.367 0.079 1.00 0.00 O ATOM 1091 CB ILE A 77 3.388 -6.241 0.587 1.00 0.00 C ATOM 1092 CG1 ILE A 77 3.680 -7.706 0.917 1.00 0.00 C ATOM 1093 CG2 ILE A 77 3.669 -5.957 -0.882 1.00 0.00 C ATOM 1094 CD1 ILE A 77 2.631 -8.663 0.395 1.00 0.00 C ATOM 0 H ILE A 77 3.274 -6.279 3.079 1.00 0.00 H new ATOM 0 HA ILE A 77 5.286 -5.505 1.300 1.00 0.00 H new ATOM 0 HB ILE A 77 2.332 -6.049 0.779 1.00 0.00 H new ATOM 0 HG12 ILE A 77 4.649 -7.978 0.499 1.00 0.00 H new ATOM 0 HG13 ILE A 77 3.757 -7.818 1.998 1.00 0.00 H new ATOM 0 HG21 ILE A 77 3.067 -6.621 -1.503 1.00 0.00 H new ATOM 0 HG22 ILE A 77 3.415 -4.921 -1.107 1.00 0.00 H new ATOM 0 HG23 ILE A 77 4.726 -6.125 -1.089 1.00 0.00 H new ATOM 0 HD11 ILE A 77 2.903 -9.683 0.665 1.00 0.00 H new ATOM 0 HD12 ILE A 77 1.664 -8.417 0.833 1.00 0.00 H new ATOM 0 HD13 ILE A 77 2.570 -8.579 -0.690 1.00 0.00 H new ATOM 1106 N ILE A 78 3.191 -3.188 2.018 1.00 0.00 N ATOM 1107 CA ILE A 78 2.825 -1.793 1.802 1.00 0.00 C ATOM 1108 C ILE A 78 3.748 -0.857 2.574 1.00 0.00 C ATOM 1109 O ILE A 78 3.953 0.293 2.183 1.00 0.00 O ATOM 1110 CB ILE A 78 1.368 -1.523 2.223 1.00 0.00 C ATOM 1111 CG1 ILE A 78 0.410 -2.409 1.424 1.00 0.00 C ATOM 1112 CG2 ILE A 78 1.026 -0.053 2.029 1.00 0.00 C ATOM 1113 CD1 ILE A 78 -0.906 -2.660 2.125 1.00 0.00 C ATOM 0 H ILE A 78 2.847 -3.584 2.893 1.00 0.00 H new ATOM 0 HA ILE A 78 2.928 -1.600 0.734 1.00 0.00 H new ATOM 0 HB ILE A 78 1.259 -1.765 3.280 1.00 0.00 H new ATOM 0 HG12 ILE A 78 0.215 -1.942 0.459 1.00 0.00 H new ATOM 0 HG13 ILE A 78 0.894 -3.365 1.223 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -0.007 0.123 2.330 1.00 0.00 H new ATOM 0 HG22 ILE A 78 1.691 0.559 2.638 1.00 0.00 H new ATOM 0 HG23 ILE A 78 1.148 0.213 0.979 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -1.535 -3.295 1.501 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -0.722 -3.156 3.078 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -1.411 -1.710 2.302 1.00 0.00 H new ATOM 1125 N LYS A 79 4.305 -1.356 3.672 1.00 0.00 N ATOM 1126 CA LYS A 79 5.210 -0.566 4.498 1.00 0.00 C ATOM 1127 C LYS A 79 6.609 -0.530 3.892 1.00 0.00 C ATOM 1128 O LYS A 79 7.329 0.459 4.026 1.00 0.00 O ATOM 1129 CB LYS A 79 5.271 -1.141 5.916 1.00 0.00 C ATOM 1130 CG LYS A 79 6.356 -2.188 6.101 1.00 0.00 C ATOM 1131 CD LYS A 79 6.294 -2.816 7.483 1.00 0.00 C ATOM 1132 CE LYS A 79 7.522 -3.669 7.763 1.00 0.00 C ATOM 1133 NZ LYS A 79 7.404 -4.406 9.051 1.00 0.00 N ATOM 0 H LYS A 79 4.145 -2.305 4.011 1.00 0.00 H new ATOM 0 HA LYS A 79 4.826 0.453 4.541 1.00 0.00 H new ATOM 0 HB2 LYS A 79 5.438 -0.328 6.622 1.00 0.00 H new ATOM 0 HB3 LYS A 79 4.305 -1.583 6.162 1.00 0.00 H new ATOM 0 HG2 LYS A 79 6.248 -2.963 5.343 1.00 0.00 H new ATOM 0 HG3 LYS A 79 7.334 -1.730 5.952 1.00 0.00 H new ATOM 0 HD2 LYS A 79 6.214 -2.033 8.237 1.00 0.00 H new ATOM 0 HD3 LYS A 79 5.397 -3.430 7.565 1.00 0.00 H new ATOM 0 HE2 LYS A 79 7.663 -4.380 6.949 1.00 0.00 H new ATOM 0 HE3 LYS A 79 8.407 -3.034 7.788 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 8.261 -4.975 9.205 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 7.295 -3.727 9.831 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 6.574 -5.032 9.018 1.00 0.00 H new ATOM 1147 N GLY A 80 6.988 -1.615 3.223 1.00 0.00 N ATOM 1148 CA GLY A 80 8.299 -1.685 2.605 1.00 0.00 C ATOM 1149 C GLY A 80 8.449 -0.712 1.452 1.00 0.00 C ATOM 1150 O GLY A 80 9.512 -0.629 0.835 1.00 0.00 O ATOM 0 H GLY A 80 6.410 -2.446 3.098 1.00 0.00 H new ATOM 0 HA2 GLY A 80 9.062 -1.476 3.355 1.00 0.00 H new ATOM 0 HA3 GLY A 80 8.474 -2.699 2.246 1.00 0.00 H new ATOM 1154 N LEU A 81 7.383 0.024 1.158 1.00 0.00 N ATOM 1155 CA LEU A 81 7.400 0.995 0.070 1.00 0.00 C ATOM 1156 C LEU A 81 8.016 2.314 0.526 1.00 0.00 C ATOM 1157 O LEU A 81 8.125 3.263 -0.250 1.00 0.00 O ATOM 1158 CB LEU A 81 5.981 1.235 -0.448 1.00 0.00 C ATOM 1159 CG LEU A 81 5.111 -0.011 -0.621 1.00 0.00 C ATOM 1160 CD1 LEU A 81 3.759 0.361 -1.211 1.00 0.00 C ATOM 1161 CD2 LEU A 81 5.814 -1.036 -1.499 1.00 0.00 C ATOM 0 H LEU A 81 6.496 -0.033 1.658 1.00 0.00 H new ATOM 0 HA LEU A 81 8.011 0.589 -0.736 1.00 0.00 H new ATOM 0 HB2 LEU A 81 5.475 1.915 0.238 1.00 0.00 H new ATOM 0 HB3 LEU A 81 6.048 1.744 -1.410 1.00 0.00 H new ATOM 0 HG LEU A 81 4.947 -0.455 0.361 1.00 0.00 H new ATOM 0 HD11 LEU A 81 3.153 -0.538 -1.327 1.00 0.00 H new ATOM 0 HD12 LEU A 81 3.251 1.058 -0.545 1.00 0.00 H new ATOM 0 HD13 LEU A 81 3.903 0.830 -2.184 1.00 0.00 H new ATOM 0 HD21 LEU A 81 5.180 -1.915 -1.611 1.00 0.00 H new ATOM 0 HD22 LEU A 81 6.009 -0.602 -2.480 1.00 0.00 H new ATOM 0 HD23 LEU A 81 6.758 -1.325 -1.036 1.00 0.00 H new ATOM 1173 N LYS A 82 8.421 2.366 1.791 1.00 0.00 N ATOM 1174 CA LYS A 82 9.030 3.566 2.351 1.00 0.00 C ATOM 1175 C LYS A 82 10.278 3.959 1.569 1.00 0.00 C ATOM 1176 O LYS A 82 10.517 5.138 1.314 1.00 0.00 O ATOM 1177 CB LYS A 82 9.387 3.342 3.823 1.00 0.00 C ATOM 1178 CG LYS A 82 10.384 4.350 4.367 1.00 0.00 C ATOM 1179 CD LYS A 82 10.620 4.154 5.855 1.00 0.00 C ATOM 1180 CE LYS A 82 9.430 4.628 6.675 1.00 0.00 C ATOM 1181 NZ LYS A 82 9.769 4.760 8.119 1.00 0.00 N ATOM 0 H LYS A 82 8.338 1.590 2.448 1.00 0.00 H new ATOM 0 HA LYS A 82 8.307 4.378 2.278 1.00 0.00 H new ATOM 0 HB2 LYS A 82 8.476 3.386 4.420 1.00 0.00 H new ATOM 0 HB3 LYS A 82 9.797 2.339 3.940 1.00 0.00 H new ATOM 0 HG2 LYS A 82 11.329 4.254 3.832 1.00 0.00 H new ATOM 0 HG3 LYS A 82 10.017 5.360 4.186 1.00 0.00 H new ATOM 0 HD2 LYS A 82 10.807 3.100 6.059 1.00 0.00 H new ATOM 0 HD3 LYS A 82 11.513 4.701 6.158 1.00 0.00 H new ATOM 0 HE2 LYS A 82 9.086 5.589 6.293 1.00 0.00 H new ATOM 0 HE3 LYS A 82 8.605 3.925 6.558 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 8.932 5.085 8.644 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 10.073 3.837 8.490 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 10.539 5.450 8.233 1.00 0.00 H new ATOM 1195 N ASN A 83 11.071 2.962 1.189 1.00 0.00 N ATOM 1196 CA ASN A 83 12.295 3.204 0.434 1.00 0.00 C ATOM 1197 C ASN A 83 11.994 3.367 -1.053 1.00 0.00 C ATOM 1198 O ASN A 83 12.905 3.515 -1.868 1.00 0.00 O ATOM 1199 CB ASN A 83 13.284 2.055 0.643 1.00 0.00 C ATOM 1200 CG ASN A 83 13.931 2.091 2.014 1.00 0.00 C ATOM 1201 OD1 ASN A 83 13.921 3.120 2.690 1.00 0.00 O ATOM 1202 ND2 ASN A 83 14.499 0.965 2.429 1.00 0.00 N ATOM 0 H ASN A 83 10.888 1.979 1.392 1.00 0.00 H new ATOM 0 HA ASN A 83 12.741 4.129 0.800 1.00 0.00 H new ATOM 0 HB2 ASN A 83 12.765 1.105 0.514 1.00 0.00 H new ATOM 0 HB3 ASN A 83 14.058 2.102 -0.123 1.00 0.00 H new ATOM 0 HD21 ASN A 83 14.952 0.929 3.342 1.00 0.00 H new ATOM 0 HD22 ASN A 83 14.483 0.136 1.834 1.00 0.00 H new ATOM 1209 N GLN A 84 10.711 3.338 -1.398 1.00 0.00 N ATOM 1210 CA GLN A 84 10.290 3.482 -2.787 1.00 0.00 C ATOM 1211 C GLN A 84 9.478 4.759 -2.980 1.00 0.00 C ATOM 1212 O GLN A 84 8.386 4.901 -2.430 1.00 0.00 O ATOM 1213 CB GLN A 84 9.466 2.269 -3.220 1.00 0.00 C ATOM 1214 CG GLN A 84 10.067 0.940 -2.793 1.00 0.00 C ATOM 1215 CD GLN A 84 9.736 -0.186 -3.751 1.00 0.00 C ATOM 1216 OE1 GLN A 84 9.671 0.014 -4.965 1.00 0.00 O ATOM 1217 NE2 GLN A 84 9.523 -1.380 -3.211 1.00 0.00 N ATOM 0 H GLN A 84 9.945 3.216 -0.735 1.00 0.00 H new ATOM 0 HA GLN A 84 11.184 3.545 -3.407 1.00 0.00 H new ATOM 0 HB2 GLN A 84 8.462 2.355 -2.803 1.00 0.00 H new ATOM 0 HB3 GLN A 84 9.363 2.279 -4.305 1.00 0.00 H new ATOM 0 HG2 GLN A 84 11.150 1.042 -2.719 1.00 0.00 H new ATOM 0 HG3 GLN A 84 9.703 0.684 -1.798 1.00 0.00 H new ATOM 0 HE21 GLN A 84 9.587 -1.501 -2.200 1.00 0.00 H new ATOM 0 HE22 GLN A 84 9.295 -2.176 -3.807 1.00 0.00 H new ATOM 1226 N SER A 85 10.020 5.686 -3.764 1.00 0.00 N ATOM 1227 CA SER A 85 9.348 6.953 -4.026 1.00 0.00 C ATOM 1228 C SER A 85 8.073 6.734 -4.836 1.00 0.00 C ATOM 1229 O SER A 85 6.983 7.118 -4.413 1.00 0.00 O ATOM 1230 CB SER A 85 10.283 7.906 -4.773 1.00 0.00 C ATOM 1231 OG SER A 85 10.885 7.263 -5.883 1.00 0.00 O ATOM 0 H SER A 85 10.922 5.583 -4.228 1.00 0.00 H new ATOM 0 HA SER A 85 9.078 7.398 -3.068 1.00 0.00 H new ATOM 0 HB2 SER A 85 9.723 8.777 -5.113 1.00 0.00 H new ATOM 0 HB3 SER A 85 11.056 8.268 -4.095 1.00 0.00 H new ATOM 0 HG SER A 85 11.476 7.893 -6.345 1.00 0.00 H new ATOM 1237 N ARG A 86 8.220 6.115 -6.003 1.00 0.00 N ATOM 1238 CA ARG A 86 7.082 5.846 -6.873 1.00 0.00 C ATOM 1239 C ARG A 86 6.684 4.374 -6.809 1.00 0.00 C ATOM 1240 O ARG A 86 7.445 3.496 -7.217 1.00 0.00 O ATOM 1241 CB ARG A 86 7.414 6.233 -8.316 1.00 0.00 C ATOM 1242 CG ARG A 86 6.210 6.214 -9.243 1.00 0.00 C ATOM 1243 CD ARG A 86 6.413 7.132 -10.439 1.00 0.00 C ATOM 1244 NE ARG A 86 5.214 7.227 -11.266 1.00 0.00 N ATOM 1245 CZ ARG A 86 5.175 7.858 -12.435 1.00 0.00 C ATOM 1246 NH1 ARG A 86 6.264 8.446 -12.911 1.00 0.00 N ATOM 1247 NH2 ARG A 86 4.046 7.901 -13.130 1.00 0.00 N ATOM 0 H ARG A 86 9.116 5.791 -6.367 1.00 0.00 H new ATOM 0 HA ARG A 86 6.241 6.447 -6.526 1.00 0.00 H new ATOM 0 HB2 ARG A 86 7.853 7.231 -8.324 1.00 0.00 H new ATOM 0 HB3 ARG A 86 8.170 5.549 -8.702 1.00 0.00 H new ATOM 0 HG2 ARG A 86 6.033 5.196 -9.590 1.00 0.00 H new ATOM 0 HG3 ARG A 86 5.321 6.522 -8.693 1.00 0.00 H new ATOM 0 HD2 ARG A 86 6.692 8.126 -10.090 1.00 0.00 H new ATOM 0 HD3 ARG A 86 7.242 6.762 -11.043 1.00 0.00 H new ATOM 0 HE ARG A 86 4.359 6.785 -10.928 1.00 0.00 H new ATOM 0 HH11 ARG A 86 7.134 8.415 -12.380 1.00 0.00 H new ATOM 0 HH12 ARG A 86 6.232 8.930 -13.808 1.00 0.00 H new ATOM 0 HH21 ARG A 86 3.206 7.449 -12.767 1.00 0.00 H new ATOM 0 HH22 ARG A 86 4.017 8.386 -14.027 1.00 0.00 H new ATOM 1261 N VAL A 87 5.488 4.112 -6.293 1.00 0.00 N ATOM 1262 CA VAL A 87 4.988 2.747 -6.176 1.00 0.00 C ATOM 1263 C VAL A 87 3.665 2.580 -6.915 1.00 0.00 C ATOM 1264 O VAL A 87 2.761 3.406 -6.788 1.00 0.00 O ATOM 1265 CB VAL A 87 4.794 2.345 -4.701 1.00 0.00 C ATOM 1266 CG1 VAL A 87 4.562 0.847 -4.582 1.00 0.00 C ATOM 1267 CG2 VAL A 87 5.993 2.776 -3.870 1.00 0.00 C ATOM 0 H VAL A 87 4.847 4.827 -5.949 1.00 0.00 H new ATOM 0 HA VAL A 87 5.737 2.096 -6.627 1.00 0.00 H new ATOM 0 HB VAL A 87 3.912 2.856 -4.316 1.00 0.00 H new ATOM 0 HG11 VAL A 87 4.427 0.582 -3.533 1.00 0.00 H new ATOM 0 HG12 VAL A 87 3.669 0.571 -5.144 1.00 0.00 H new ATOM 0 HG13 VAL A 87 5.423 0.312 -4.984 1.00 0.00 H new ATOM 0 HG21 VAL A 87 5.839 2.484 -2.831 1.00 0.00 H new ATOM 0 HG22 VAL A 87 6.893 2.295 -4.253 1.00 0.00 H new ATOM 0 HG23 VAL A 87 6.107 3.858 -3.930 1.00 0.00 H new ATOM 1277 N LYS A 88 3.558 1.505 -7.689 1.00 0.00 N ATOM 1278 CA LYS A 88 2.345 1.227 -8.448 1.00 0.00 C ATOM 1279 C LYS A 88 1.467 0.214 -7.720 1.00 0.00 C ATOM 1280 O LYS A 88 1.931 -0.857 -7.328 1.00 0.00 O ATOM 1281 CB LYS A 88 2.700 0.701 -9.841 1.00 0.00 C ATOM 1282 CG LYS A 88 1.498 0.217 -10.633 1.00 0.00 C ATOM 1283 CD LYS A 88 1.911 -0.362 -11.976 1.00 0.00 C ATOM 1284 CE LYS A 88 0.904 -1.387 -12.475 1.00 0.00 C ATOM 1285 NZ LYS A 88 0.853 -1.436 -13.962 1.00 0.00 N ATOM 0 H LYS A 88 4.297 0.812 -7.807 1.00 0.00 H new ATOM 0 HA LYS A 88 1.788 2.159 -8.548 1.00 0.00 H new ATOM 0 HB2 LYS A 88 3.200 1.491 -10.402 1.00 0.00 H new ATOM 0 HB3 LYS A 88 3.412 -0.118 -9.740 1.00 0.00 H new ATOM 0 HG2 LYS A 88 0.963 -0.540 -10.059 1.00 0.00 H new ATOM 0 HG3 LYS A 88 0.807 1.045 -10.790 1.00 0.00 H new ATOM 0 HD2 LYS A 88 2.006 0.442 -12.706 1.00 0.00 H new ATOM 0 HD3 LYS A 88 2.892 -0.828 -11.886 1.00 0.00 H new ATOM 0 HE2 LYS A 88 1.166 -2.372 -12.088 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -0.085 -1.144 -12.086 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 0.155 -2.146 -14.262 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 0.578 -0.503 -14.331 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 1.790 -1.693 -14.333 1.00 0.00 H new ATOM 1299 N LEU A 89 0.196 0.560 -7.543 1.00 0.00 N ATOM 1300 CA LEU A 89 -0.748 -0.320 -6.863 1.00 0.00 C ATOM 1301 C LEU A 89 -2.103 -0.310 -7.562 1.00 0.00 C ATOM 1302 O LEU A 89 -2.564 0.732 -8.027 1.00 0.00 O ATOM 1303 CB LEU A 89 -0.911 0.106 -5.403 1.00 0.00 C ATOM 1304 CG LEU A 89 0.301 0.781 -4.761 1.00 0.00 C ATOM 1305 CD1 LEU A 89 -0.140 1.737 -3.663 1.00 0.00 C ATOM 1306 CD2 LEU A 89 1.262 -0.261 -4.208 1.00 0.00 C ATOM 0 H LEU A 89 -0.204 1.443 -7.861 1.00 0.00 H new ATOM 0 HA LEU A 89 -0.350 -1.334 -6.897 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -1.759 0.788 -5.337 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -1.165 -0.776 -4.814 1.00 0.00 H new ATOM 0 HG LEU A 89 0.821 1.355 -5.528 1.00 0.00 H new ATOM 0 HD11 LEU A 89 0.736 2.208 -3.217 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -0.788 2.504 -4.087 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -0.684 1.185 -2.897 1.00 0.00 H new ATOM 0 HD21 LEU A 89 2.119 0.238 -3.755 1.00 0.00 H new ATOM 0 HD22 LEU A 89 0.753 -0.863 -3.455 1.00 0.00 H new ATOM 0 HD23 LEU A 89 1.604 -0.906 -5.017 1.00 0.00 H new ATOM 1318 N ASN A 90 -2.737 -1.476 -7.631 1.00 0.00 N ATOM 1319 CA ASN A 90 -4.041 -1.600 -8.272 1.00 0.00 C ATOM 1320 C ASN A 90 -5.166 -1.454 -7.251 1.00 0.00 C ATOM 1321 O ASN A 90 -5.265 -2.238 -6.306 1.00 0.00 O ATOM 1322 CB ASN A 90 -4.156 -2.950 -8.984 1.00 0.00 C ATOM 1323 CG ASN A 90 -5.165 -2.923 -10.115 1.00 0.00 C ATOM 1324 OD1 ASN A 90 -6.091 -1.972 -10.059 1.00 0.00 O flip ATOM 1325 ND2 ASN A 90 -5.113 -3.747 -11.028 1.00 0.00 N flip ATOM 0 H ASN A 90 -2.369 -2.348 -7.251 1.00 0.00 H new ATOM 0 HA ASN A 90 -4.135 -0.800 -9.006 1.00 0.00 H new ATOM 0 HB2 ASN A 90 -3.180 -3.234 -9.378 1.00 0.00 H new ATOM 0 HB3 ASN A 90 -4.443 -3.715 -8.263 1.00 0.00 H new ATOM 0 HD21 ASN A 90 -4.384 -4.460 -11.030 1.00 0.00 H new ATOM 0 HD22 ASN A 90 -5.799 -3.716 -11.782 1.00 0.00 H new ATOM 1332 N ILE A 91 -6.009 -0.447 -7.449 1.00 0.00 N ATOM 1333 CA ILE A 91 -7.127 -0.200 -6.547 1.00 0.00 C ATOM 1334 C ILE A 91 -8.453 -0.577 -7.199 1.00 0.00 C ATOM 1335 O ILE A 91 -8.611 -0.472 -8.415 1.00 0.00 O ATOM 1336 CB ILE A 91 -7.183 1.277 -6.112 1.00 0.00 C ATOM 1337 CG1 ILE A 91 -5.870 1.683 -5.440 1.00 0.00 C ATOM 1338 CG2 ILE A 91 -8.358 1.508 -5.173 1.00 0.00 C ATOM 1339 CD1 ILE A 91 -5.629 0.991 -4.116 1.00 0.00 C ATOM 0 H ILE A 91 -5.939 0.211 -8.225 1.00 0.00 H new ATOM 0 HA ILE A 91 -6.967 -0.824 -5.668 1.00 0.00 H new ATOM 0 HB ILE A 91 -7.323 1.897 -6.998 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -5.042 1.460 -6.113 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -5.870 2.762 -5.282 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -8.384 2.556 -4.874 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -9.287 1.252 -5.683 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -8.245 0.881 -4.288 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -4.680 1.327 -3.697 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -6.437 1.234 -3.426 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -5.596 -0.088 -4.270 1.00 0.00 H new ATOM 1351 N VAL A 92 -9.406 -1.014 -6.381 1.00 0.00 N ATOM 1352 CA VAL A 92 -10.720 -1.403 -6.877 1.00 0.00 C ATOM 1353 C VAL A 92 -11.812 -1.055 -5.872 1.00 0.00 C ATOM 1354 O VAL A 92 -11.946 -1.704 -4.835 1.00 0.00 O ATOM 1355 CB VAL A 92 -10.781 -2.912 -7.182 1.00 0.00 C ATOM 1356 CG1 VAL A 92 -12.192 -3.322 -7.572 1.00 0.00 C ATOM 1357 CG2 VAL A 92 -9.789 -3.274 -8.277 1.00 0.00 C ATOM 0 H VAL A 92 -9.292 -1.107 -5.372 1.00 0.00 H new ATOM 0 HA VAL A 92 -10.888 -0.846 -7.799 1.00 0.00 H new ATOM 0 HB VAL A 92 -10.507 -3.459 -6.280 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -12.215 -4.391 -7.784 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -12.875 -3.100 -6.752 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -12.499 -2.770 -8.460 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -9.845 -4.343 -8.480 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -10.030 -2.719 -9.184 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -8.780 -3.019 -7.953 1.00 0.00 H new ATOM 1367 N SER A 93 -12.592 -0.025 -6.187 1.00 0.00 N ATOM 1368 CA SER A 93 -13.671 0.413 -5.310 1.00 0.00 C ATOM 1369 C SER A 93 -14.380 -0.784 -4.681 1.00 0.00 C ATOM 1370 O SER A 93 -15.083 -1.530 -5.360 1.00 0.00 O ATOM 1371 CB SER A 93 -14.677 1.263 -6.088 1.00 0.00 C ATOM 1372 OG SER A 93 -15.755 1.664 -5.261 1.00 0.00 O ATOM 0 H SER A 93 -12.496 0.521 -7.043 1.00 0.00 H new ATOM 0 HA SER A 93 -13.235 1.016 -4.513 1.00 0.00 H new ATOM 0 HB2 SER A 93 -14.178 2.144 -6.492 1.00 0.00 H new ATOM 0 HB3 SER A 93 -15.058 0.695 -6.937 1.00 0.00 H new ATOM 0 HG SER A 93 -16.383 2.207 -5.782 1.00 0.00 H new ATOM 1378 N GLY A 94 -14.188 -0.959 -3.377 1.00 0.00 N ATOM 1379 CA GLY A 94 -14.814 -2.066 -2.677 1.00 0.00 C ATOM 1380 C GLY A 94 -16.200 -2.377 -3.206 1.00 0.00 C ATOM 1381 O GLY A 94 -16.951 -1.485 -3.603 1.00 0.00 O ATOM 0 H GLY A 94 -13.610 -0.354 -2.793 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -14.186 -2.952 -2.769 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -14.878 -1.830 -1.615 1.00 0.00 H new ATOM 1385 N PRO A 95 -16.557 -3.669 -3.218 1.00 0.00 N ATOM 1386 CA PRO A 95 -17.864 -4.125 -3.702 1.00 0.00 C ATOM 1387 C PRO A 95 -19.000 -3.719 -2.770 1.00 0.00 C ATOM 1388 O PRO A 95 -18.943 -3.959 -1.564 1.00 0.00 O ATOM 1389 CB PRO A 95 -17.718 -5.649 -3.734 1.00 0.00 C ATOM 1390 CG PRO A 95 -16.664 -5.950 -2.726 1.00 0.00 C ATOM 1391 CD PRO A 95 -15.713 -4.786 -2.761 1.00 0.00 C ATOM 0 HA PRO A 95 -18.117 -3.687 -4.667 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -18.657 -6.142 -3.484 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -17.429 -5.998 -4.725 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -17.097 -6.071 -1.733 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -16.150 -6.881 -2.965 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -15.283 -4.589 -1.779 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -14.882 -4.967 -3.443 1.00 0.00 H new ATOM 1399 N SER A 96 -20.033 -3.102 -3.337 1.00 0.00 N ATOM 1400 CA SER A 96 -21.182 -2.659 -2.556 1.00 0.00 C ATOM 1401 C SER A 96 -22.482 -3.186 -3.155 1.00 0.00 C ATOM 1402 O SER A 96 -23.301 -3.785 -2.459 1.00 0.00 O ATOM 1403 CB SER A 96 -21.221 -1.131 -2.488 1.00 0.00 C ATOM 1404 OG SER A 96 -21.308 -0.566 -3.785 1.00 0.00 O ATOM 0 H SER A 96 -20.097 -2.898 -4.334 1.00 0.00 H new ATOM 0 HA SER A 96 -21.079 -3.058 -1.547 1.00 0.00 H new ATOM 0 HB2 SER A 96 -22.075 -0.812 -1.891 1.00 0.00 H new ATOM 0 HB3 SER A 96 -20.326 -0.763 -1.987 1.00 0.00 H new ATOM 0 HG SER A 96 -21.333 0.411 -3.715 1.00 0.00 H new ATOM 1410 N SER A 97 -22.663 -2.959 -4.452 1.00 0.00 N ATOM 1411 CA SER A 97 -23.865 -3.407 -5.146 1.00 0.00 C ATOM 1412 C SER A 97 -23.634 -4.760 -5.813 1.00 0.00 C ATOM 1413 O SER A 97 -23.001 -4.847 -6.864 1.00 0.00 O ATOM 1414 CB SER A 97 -24.289 -2.376 -6.193 1.00 0.00 C ATOM 1415 OG SER A 97 -23.208 -2.039 -7.045 1.00 0.00 O ATOM 0 H SER A 97 -21.993 -2.468 -5.043 1.00 0.00 H new ATOM 0 HA SER A 97 -24.661 -3.515 -4.410 1.00 0.00 H new ATOM 0 HB2 SER A 97 -25.113 -2.773 -6.786 1.00 0.00 H new ATOM 0 HB3 SER A 97 -24.657 -1.479 -5.696 1.00 0.00 H new ATOM 0 HG SER A 97 -22.730 -2.854 -7.304 1.00 0.00 H new ATOM 1421 N GLY A 98 -24.155 -5.815 -5.193 1.00 0.00 N ATOM 1422 CA GLY A 98 -23.996 -7.150 -5.739 1.00 0.00 C ATOM 1423 C GLY A 98 -24.676 -7.310 -7.084 1.00 0.00 C ATOM 1424 O GLY A 98 -24.336 -6.621 -8.045 1.00 0.00 O ATOM 0 H GLY A 98 -24.684 -5.769 -4.322 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -22.934 -7.373 -5.843 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -24.407 -7.877 -5.039 1.00 0.00 H new TER 1428 GLY A 98