USER MOD reduce.3.24.130724 H: found=0, std=0, add=733, rem=0, adj=28 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 Set 1.1: A 30 SER OG : rot 177:sc= 0.549 USER MOD Set 1.2: A 57 GLN : amide:sc= -0.215 K(o=0.33,f=-0.73) 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 33:sc= 0.459 USER MOD Single : A 6 SER OG : rot 47:sc= 0.439 USER MOD Single : A 13 LYS NZ :NH3+ -113:sc= 0.946 (180deg=-1.11) 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 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 168:sc= 1.41 USER MOD Single : A 39 ASN :FLIP amide:sc= -0.22 F(o=-2.3!,f=-0.22) USER MOD Single : A 40 MET CE :methyl -165:sc= -2.17 (180deg=-2.66!) USER MOD Single : A 41 MET CE :methyl 143:sc= -0.432 (180deg=-1.29) USER MOD Single : A 42 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 SER OG : rot -41:sc= -0.124 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 ASN :FLIP amide:sc= -3.12! C(o=-5.4!,f=-3.1!) USER MOD Single : A 59 MET CE :methyl 175:sc= -2.81 (180deg=-3.02!) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 62 ASN : amide:sc= -5.84! C(o=-5.8!,f=-13!) 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= -0.0157 USER MOD Single : A 73 THR OG1 : rot 30:sc= -0.79 USER MOD Single : A 74 CYS SG : rot 74:sc= -0.584 USER MOD Single : A 75 GLN : amide:sc= 0 K(o=0,f=-1.2) 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= -0.0592 K(o=-0.059,f=-2!) USER MOD Single : A 84 GLN :FLIP amide:sc= 1.05 F(o=-0.4,f=1) USER MOD Single : A 85 SER OG : rot 180:sc= -0.165 USER MOD Single : A 88 LYS NZ :NH3+ -156:sc= 0 (180deg=-0.399) USER MOD Single : A 90 ASN :FLIP amide:sc= -0.0421 F(o=-3.5!,f=-0.042) USER MOD Single : A 93 SER OG : rot -16:sc= 0.595! USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 97 SER OG : rot 67:sc= 0.0678 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -18.862 14.168 -8.240 1.00 0.00 N ATOM 2 CA GLY A 1 -19.213 13.298 -7.133 1.00 0.00 C ATOM 3 C GLY A 1 -18.005 12.605 -6.534 1.00 0.00 C ATOM 4 O GLY A 1 -17.200 13.231 -5.845 1.00 0.00 O ATOM 0 H1 GLY A 1 -19.722 14.618 -8.614 1.00 0.00 H new ATOM 0 H2 GLY A 1 -18.203 14.902 -7.909 1.00 0.00 H new ATOM 0 H3 GLY A 1 -18.409 13.609 -8.991 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -19.713 13.882 -6.360 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -19.925 12.548 -7.476 1.00 0.00 H new ATOM 8 N SER A 2 -17.878 11.308 -6.796 1.00 0.00 N ATOM 9 CA SER A 2 -16.762 10.528 -6.273 1.00 0.00 C ATOM 10 C SER A 2 -15.696 10.321 -7.344 1.00 0.00 C ATOM 11 O SER A 2 -15.786 9.400 -8.156 1.00 0.00 O ATOM 12 CB SER A 2 -17.256 9.174 -5.759 1.00 0.00 C ATOM 13 OG SER A 2 -16.170 8.302 -5.497 1.00 0.00 O ATOM 0 H SER A 2 -18.534 10.775 -7.367 1.00 0.00 H new ATOM 0 HA SER A 2 -16.318 11.082 -5.446 1.00 0.00 H new ATOM 0 HB2 SER A 2 -17.839 9.317 -4.849 1.00 0.00 H new ATOM 0 HB3 SER A 2 -17.920 8.722 -6.496 1.00 0.00 H new ATOM 0 HG SER A 2 -16.511 7.444 -5.168 1.00 0.00 H new ATOM 19 N SER A 3 -14.685 11.184 -7.338 1.00 0.00 N ATOM 20 CA SER A 3 -13.601 11.099 -8.311 1.00 0.00 C ATOM 21 C SER A 3 -12.807 9.809 -8.127 1.00 0.00 C ATOM 22 O SER A 3 -12.952 9.115 -7.122 1.00 0.00 O ATOM 23 CB SER A 3 -12.672 12.307 -8.178 1.00 0.00 C ATOM 24 OG SER A 3 -12.178 12.427 -6.855 1.00 0.00 O ATOM 0 H SER A 3 -14.594 11.950 -6.671 1.00 0.00 H new ATOM 0 HA SER A 3 -14.040 11.096 -9.309 1.00 0.00 H new ATOM 0 HB2 SER A 3 -11.838 12.207 -8.873 1.00 0.00 H new ATOM 0 HB3 SER A 3 -13.209 13.215 -8.453 1.00 0.00 H new ATOM 0 HG SER A 3 -11.585 13.205 -6.796 1.00 0.00 H new ATOM 30 N GLY A 4 -11.966 9.495 -9.108 1.00 0.00 N ATOM 31 CA GLY A 4 -11.160 8.290 -9.037 1.00 0.00 C ATOM 32 C GLY A 4 -11.647 7.210 -9.984 1.00 0.00 C ATOM 33 O GLY A 4 -12.794 7.237 -10.429 1.00 0.00 O ATOM 0 H GLY A 4 -11.829 10.053 -9.950 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -10.124 8.535 -9.272 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -11.173 7.907 -8.017 1.00 0.00 H new ATOM 37 N SER A 5 -10.773 6.258 -10.293 1.00 0.00 N ATOM 38 CA SER A 5 -11.118 5.168 -11.197 1.00 0.00 C ATOM 39 C SER A 5 -10.530 3.848 -10.707 1.00 0.00 C ATOM 40 O SER A 5 -9.317 3.719 -10.544 1.00 0.00 O ATOM 41 CB SER A 5 -10.615 5.470 -12.610 1.00 0.00 C ATOM 42 OG SER A 5 -9.201 5.560 -12.639 1.00 0.00 O ATOM 0 H SER A 5 -9.820 6.220 -9.930 1.00 0.00 H new ATOM 0 HA SER A 5 -12.204 5.076 -11.217 1.00 0.00 H new ATOM 0 HB2 SER A 5 -10.947 4.688 -13.293 1.00 0.00 H new ATOM 0 HB3 SER A 5 -11.050 6.406 -12.962 1.00 0.00 H new ATOM 0 HG SER A 5 -8.820 4.940 -11.982 1.00 0.00 H new ATOM 48 N SER A 6 -11.400 2.870 -10.474 1.00 0.00 N ATOM 49 CA SER A 6 -10.968 1.561 -9.998 1.00 0.00 C ATOM 50 C SER A 6 -10.036 0.897 -11.006 1.00 0.00 C ATOM 51 O SER A 6 -10.484 0.212 -11.925 1.00 0.00 O ATOM 52 CB SER A 6 -12.181 0.664 -9.739 1.00 0.00 C ATOM 53 OG SER A 6 -13.028 0.612 -10.874 1.00 0.00 O ATOM 0 H SER A 6 -12.407 2.959 -10.607 1.00 0.00 H new ATOM 0 HA SER A 6 -10.423 1.702 -9.065 1.00 0.00 H new ATOM 0 HB2 SER A 6 -11.846 -0.342 -9.485 1.00 0.00 H new ATOM 0 HB3 SER A 6 -12.739 1.040 -8.882 1.00 0.00 H new ATOM 0 HG SER A 6 -12.489 0.457 -11.678 1.00 0.00 H new ATOM 59 N GLY A 7 -8.735 1.106 -10.828 1.00 0.00 N ATOM 60 CA GLY A 7 -7.759 0.522 -11.729 1.00 0.00 C ATOM 61 C GLY A 7 -6.337 0.697 -11.236 1.00 0.00 C ATOM 62 O GLY A 7 -6.083 0.679 -10.031 1.00 0.00 O ATOM 0 H GLY A 7 -8.340 1.670 -10.075 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -7.970 -0.541 -11.849 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -7.858 0.980 -12.713 1.00 0.00 H new ATOM 66 N ASP A 8 -5.406 0.867 -12.168 1.00 0.00 N ATOM 67 CA ASP A 8 -4.000 1.045 -11.822 1.00 0.00 C ATOM 68 C ASP A 8 -3.778 2.387 -11.130 1.00 0.00 C ATOM 69 O ASP A 8 -4.201 3.431 -11.626 1.00 0.00 O ATOM 70 CB ASP A 8 -3.128 0.953 -13.075 1.00 0.00 C ATOM 71 CG ASP A 8 -3.154 2.228 -13.894 1.00 0.00 C ATOM 72 OD1 ASP A 8 -2.472 3.199 -13.503 1.00 0.00 O ATOM 73 OD2 ASP A 8 -3.856 2.256 -14.926 1.00 0.00 O ATOM 0 H ASP A 8 -5.599 0.885 -13.169 1.00 0.00 H new ATOM 0 HA ASP A 8 -3.717 0.249 -11.133 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -2.101 0.733 -12.784 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -3.470 0.122 -13.692 1.00 0.00 H new ATOM 78 N VAL A 9 -3.110 2.351 -9.981 1.00 0.00 N ATOM 79 CA VAL A 9 -2.831 3.563 -9.220 1.00 0.00 C ATOM 80 C VAL A 9 -1.335 3.729 -8.981 1.00 0.00 C ATOM 81 O VAL A 9 -0.593 2.749 -8.914 1.00 0.00 O ATOM 82 CB VAL A 9 -3.559 3.554 -7.863 1.00 0.00 C ATOM 83 CG1 VAL A 9 -2.978 4.613 -6.938 1.00 0.00 C ATOM 84 CG2 VAL A 9 -5.053 3.768 -8.059 1.00 0.00 C ATOM 0 H VAL A 9 -2.752 1.495 -9.557 1.00 0.00 H new ATOM 0 HA VAL A 9 -3.196 4.401 -9.814 1.00 0.00 H new ATOM 0 HB VAL A 9 -3.412 2.579 -7.398 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -3.505 4.592 -5.984 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -1.920 4.411 -6.773 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -3.092 5.597 -7.394 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -5.552 3.759 -7.090 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -5.222 4.729 -8.545 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -5.456 2.970 -8.682 1.00 0.00 H new ATOM 94 N PHE A 10 -0.897 4.977 -8.852 1.00 0.00 N ATOM 95 CA PHE A 10 0.512 5.273 -8.621 1.00 0.00 C ATOM 96 C PHE A 10 0.674 6.336 -7.539 1.00 0.00 C ATOM 97 O PHE A 10 0.353 7.506 -7.751 1.00 0.00 O ATOM 98 CB PHE A 10 1.177 5.742 -9.917 1.00 0.00 C ATOM 99 CG PHE A 10 1.426 4.633 -10.898 1.00 0.00 C ATOM 100 CD1 PHE A 10 0.402 4.157 -11.701 1.00 0.00 C ATOM 101 CD2 PHE A 10 2.684 4.065 -11.017 1.00 0.00 C ATOM 102 CE1 PHE A 10 0.628 3.137 -12.606 1.00 0.00 C ATOM 103 CE2 PHE A 10 2.917 3.045 -11.920 1.00 0.00 C ATOM 104 CZ PHE A 10 1.887 2.579 -12.715 1.00 0.00 C ATOM 0 H PHE A 10 -1.498 5.800 -8.904 1.00 0.00 H new ATOM 0 HA PHE A 10 0.998 4.358 -8.283 1.00 0.00 H new ATOM 0 HB2 PHE A 10 0.547 6.497 -10.387 1.00 0.00 H new ATOM 0 HB3 PHE A 10 2.125 6.223 -9.676 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -0.585 4.588 -11.619 1.00 0.00 H new ATOM 0 HD2 PHE A 10 3.492 4.424 -10.397 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -0.179 2.777 -13.227 1.00 0.00 H new ATOM 0 HE2 PHE A 10 3.903 2.612 -12.004 1.00 0.00 H new ATOM 0 HZ PHE A 10 2.066 1.780 -13.420 1.00 0.00 H new ATOM 114 N ILE A 11 1.173 5.922 -6.379 1.00 0.00 N ATOM 115 CA ILE A 11 1.378 6.838 -5.265 1.00 0.00 C ATOM 116 C ILE A 11 2.761 7.479 -5.327 1.00 0.00 C ATOM 117 O ILE A 11 3.765 6.842 -5.011 1.00 0.00 O ATOM 118 CB ILE A 11 1.217 6.122 -3.911 1.00 0.00 C ATOM 119 CG1 ILE A 11 -0.207 5.585 -3.760 1.00 0.00 C ATOM 120 CG2 ILE A 11 1.556 7.068 -2.768 1.00 0.00 C ATOM 121 CD1 ILE A 11 -1.271 6.655 -3.864 1.00 0.00 C ATOM 0 H ILE A 11 1.443 4.957 -6.187 1.00 0.00 H new ATOM 0 HA ILE A 11 0.617 7.613 -5.350 1.00 0.00 H new ATOM 0 HB ILE A 11 1.908 5.280 -3.877 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -0.385 4.831 -4.527 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -0.298 5.086 -2.795 1.00 0.00 H new ATOM 0 HG21 ILE A 11 1.437 6.548 -1.818 1.00 0.00 H new ATOM 0 HG22 ILE A 11 2.587 7.407 -2.870 1.00 0.00 H new ATOM 0 HG23 ILE A 11 0.887 7.928 -2.797 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -2.255 6.202 -3.748 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -1.118 7.397 -3.081 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -1.207 7.138 -4.839 1.00 0.00 H new ATOM 133 N GLU A 12 2.803 8.743 -5.735 1.00 0.00 N ATOM 134 CA GLU A 12 4.063 9.470 -5.837 1.00 0.00 C ATOM 135 C GLU A 12 4.436 10.103 -4.499 1.00 0.00 C ATOM 136 O GLU A 12 3.801 11.058 -4.053 1.00 0.00 O ATOM 137 CB GLU A 12 3.967 10.551 -6.916 1.00 0.00 C ATOM 138 CG GLU A 12 4.039 10.006 -8.332 1.00 0.00 C ATOM 139 CD GLU A 12 4.654 10.992 -9.306 1.00 0.00 C ATOM 140 OE1 GLU A 12 3.907 11.832 -9.851 1.00 0.00 O ATOM 141 OE2 GLU A 12 5.882 10.923 -9.525 1.00 0.00 O ATOM 0 H GLU A 12 1.980 9.285 -6.000 1.00 0.00 H new ATOM 0 HA GLU A 12 4.842 8.759 -6.113 1.00 0.00 H new ATOM 0 HB2 GLU A 12 3.030 11.094 -6.792 1.00 0.00 H new ATOM 0 HB3 GLU A 12 4.774 11.270 -6.771 1.00 0.00 H new ATOM 0 HG2 GLU A 12 4.624 9.086 -8.334 1.00 0.00 H new ATOM 0 HG3 GLU A 12 3.035 9.746 -8.669 1.00 0.00 H new ATOM 148 N LYS A 13 5.471 9.562 -3.864 1.00 0.00 N ATOM 149 CA LYS A 13 5.931 10.072 -2.578 1.00 0.00 C ATOM 150 C LYS A 13 7.451 10.188 -2.551 1.00 0.00 C ATOM 151 O LYS A 13 8.117 9.959 -3.560 1.00 0.00 O ATOM 152 CB LYS A 13 5.458 9.158 -1.445 1.00 0.00 C ATOM 153 CG LYS A 13 6.191 7.829 -1.390 1.00 0.00 C ATOM 154 CD LYS A 13 6.009 7.148 -0.044 1.00 0.00 C ATOM 155 CE LYS A 13 7.078 6.092 0.196 1.00 0.00 C ATOM 156 NZ LYS A 13 8.415 6.701 0.436 1.00 0.00 N ATOM 0 H LYS A 13 6.007 8.770 -4.220 1.00 0.00 H new ATOM 0 HA LYS A 13 5.506 11.066 -2.436 1.00 0.00 H new ATOM 0 HB2 LYS A 13 5.588 9.675 -0.494 1.00 0.00 H new ATOM 0 HB3 LYS A 13 4.391 8.970 -1.562 1.00 0.00 H new ATOM 0 HG2 LYS A 13 5.823 7.176 -2.182 1.00 0.00 H new ATOM 0 HG3 LYS A 13 7.253 7.990 -1.577 1.00 0.00 H new ATOM 0 HD2 LYS A 13 6.048 7.893 0.750 1.00 0.00 H new ATOM 0 HD3 LYS A 13 5.023 6.686 0.001 1.00 0.00 H new ATOM 0 HE2 LYS A 13 6.798 5.480 1.054 1.00 0.00 H new ATOM 0 HE3 LYS A 13 7.131 5.427 -0.666 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 9.050 6.466 -0.353 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 8.318 7.734 0.507 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 8.812 6.329 1.322 1.00 0.00 H new ATOM 170 N GLN A 14 7.993 10.543 -1.391 1.00 0.00 N ATOM 171 CA GLN A 14 9.435 10.687 -1.234 1.00 0.00 C ATOM 172 C GLN A 14 10.007 9.554 -0.388 1.00 0.00 C ATOM 173 O GLN A 14 9.411 9.147 0.609 1.00 0.00 O ATOM 174 CB GLN A 14 9.767 12.036 -0.592 1.00 0.00 C ATOM 175 CG GLN A 14 9.692 13.205 -1.560 1.00 0.00 C ATOM 176 CD GLN A 14 10.630 14.335 -1.184 1.00 0.00 C ATOM 177 OE1 GLN A 14 11.792 14.355 -1.590 1.00 0.00 O ATOM 178 NE2 GLN A 14 10.128 15.286 -0.404 1.00 0.00 N ATOM 0 H GLN A 14 7.455 10.736 -0.546 1.00 0.00 H new ATOM 0 HA GLN A 14 9.889 10.641 -2.224 1.00 0.00 H new ATOM 0 HB2 GLN A 14 9.079 12.215 0.234 1.00 0.00 H new ATOM 0 HB3 GLN A 14 10.770 11.990 -0.168 1.00 0.00 H new ATOM 0 HG2 GLN A 14 9.933 12.856 -2.564 1.00 0.00 H new ATOM 0 HG3 GLN A 14 8.670 13.582 -1.591 1.00 0.00 H new ATOM 0 HE21 GLN A 14 9.159 15.230 -0.090 1.00 0.00 H new ATOM 0 HE22 GLN A 14 10.712 16.072 -0.119 1.00 0.00 H new ATOM 187 N LYS A 15 11.167 9.047 -0.793 1.00 0.00 N ATOM 188 CA LYS A 15 11.821 7.961 -0.073 1.00 0.00 C ATOM 189 C LYS A 15 12.146 8.375 1.358 1.00 0.00 C ATOM 190 O LYS A 15 12.455 9.536 1.624 1.00 0.00 O ATOM 191 CB LYS A 15 13.103 7.541 -0.797 1.00 0.00 C ATOM 192 CG LYS A 15 12.857 6.945 -2.172 1.00 0.00 C ATOM 193 CD LYS A 15 14.147 6.824 -2.965 1.00 0.00 C ATOM 194 CE LYS A 15 14.025 5.788 -4.073 1.00 0.00 C ATOM 195 NZ LYS A 15 15.200 5.813 -4.987 1.00 0.00 N ATOM 0 H LYS A 15 11.674 9.371 -1.617 1.00 0.00 H new ATOM 0 HA LYS A 15 11.135 7.115 -0.041 1.00 0.00 H new ATOM 0 HB2 LYS A 15 13.755 8.409 -0.898 1.00 0.00 H new ATOM 0 HB3 LYS A 15 13.635 6.813 -0.184 1.00 0.00 H new ATOM 0 HG2 LYS A 15 12.400 5.961 -2.067 1.00 0.00 H new ATOM 0 HG3 LYS A 15 12.150 7.569 -2.719 1.00 0.00 H new ATOM 0 HD2 LYS A 15 14.402 7.792 -3.397 1.00 0.00 H new ATOM 0 HD3 LYS A 15 14.962 6.549 -2.296 1.00 0.00 H new ATOM 0 HE2 LYS A 15 13.928 4.795 -3.633 1.00 0.00 H new ATOM 0 HE3 LYS A 15 13.116 5.973 -4.645 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 15.079 5.093 -5.728 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 15.278 6.752 -5.426 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 16.065 5.611 -4.446 1.00 0.00 H new ATOM 209 N GLY A 16 12.074 7.417 2.278 1.00 0.00 N ATOM 210 CA GLY A 16 12.365 7.703 3.671 1.00 0.00 C ATOM 211 C GLY A 16 11.110 7.813 4.514 1.00 0.00 C ATOM 212 O GLY A 16 11.121 7.487 5.700 1.00 0.00 O ATOM 0 H GLY A 16 11.819 6.449 2.083 1.00 0.00 H new ATOM 0 HA2 GLY A 16 13.003 6.917 4.075 1.00 0.00 H new ATOM 0 HA3 GLY A 16 12.927 8.635 3.738 1.00 0.00 H new ATOM 216 N GLU A 17 10.025 8.275 3.900 1.00 0.00 N ATOM 217 CA GLU A 17 8.757 8.429 4.603 1.00 0.00 C ATOM 218 C GLU A 17 7.837 7.242 4.334 1.00 0.00 C ATOM 219 O GLU A 17 8.071 6.459 3.413 1.00 0.00 O ATOM 220 CB GLU A 17 8.069 9.729 4.181 1.00 0.00 C ATOM 221 CG GLU A 17 7.979 9.908 2.674 1.00 0.00 C ATOM 222 CD GLU A 17 6.770 10.720 2.254 1.00 0.00 C ATOM 223 OE1 GLU A 17 5.810 10.809 3.049 1.00 0.00 O ATOM 224 OE2 GLU A 17 6.782 11.266 1.131 1.00 0.00 O ATOM 0 H GLU A 17 9.999 8.549 2.918 1.00 0.00 H new ATOM 0 HA GLU A 17 8.966 8.468 5.672 1.00 0.00 H new ATOM 0 HB2 GLU A 17 7.064 9.752 4.602 1.00 0.00 H new ATOM 0 HB3 GLU A 17 8.612 10.573 4.607 1.00 0.00 H new ATOM 0 HG2 GLU A 17 8.884 10.399 2.316 1.00 0.00 H new ATOM 0 HG3 GLU A 17 7.937 8.929 2.197 1.00 0.00 H new ATOM 231 N ILE A 18 6.791 7.117 5.143 1.00 0.00 N ATOM 232 CA ILE A 18 5.835 6.026 4.992 1.00 0.00 C ATOM 233 C ILE A 18 4.704 6.414 4.046 1.00 0.00 C ATOM 234 O ILE A 18 4.567 7.578 3.668 1.00 0.00 O ATOM 235 CB ILE A 18 5.236 5.611 6.348 1.00 0.00 C ATOM 236 CG1 ILE A 18 4.608 6.820 7.045 1.00 0.00 C ATOM 237 CG2 ILE A 18 6.305 4.982 7.229 1.00 0.00 C ATOM 238 CD1 ILE A 18 3.510 6.453 8.019 1.00 0.00 C ATOM 0 H ILE A 18 6.583 7.757 5.910 1.00 0.00 H new ATOM 0 HA ILE A 18 6.383 5.182 4.573 1.00 0.00 H new ATOM 0 HB ILE A 18 4.455 4.871 6.172 1.00 0.00 H new ATOM 0 HG12 ILE A 18 5.386 7.367 7.577 1.00 0.00 H new ATOM 0 HG13 ILE A 18 4.203 7.494 6.290 1.00 0.00 H new ATOM 0 HG21 ILE A 18 5.866 4.694 8.184 1.00 0.00 H new ATOM 0 HG22 ILE A 18 6.710 4.099 6.735 1.00 0.00 H new ATOM 0 HG23 ILE A 18 7.105 5.702 7.400 1.00 0.00 H new ATOM 0 HD11 ILE A 18 3.111 7.359 8.476 1.00 0.00 H new ATOM 0 HD12 ILE A 18 2.713 5.932 7.489 1.00 0.00 H new ATOM 0 HD13 ILE A 18 3.914 5.803 8.795 1.00 0.00 H new ATOM 250 N LEU A 19 3.893 5.432 3.669 1.00 0.00 N ATOM 251 CA LEU A 19 2.770 5.670 2.768 1.00 0.00 C ATOM 252 C LEU A 19 1.681 6.485 3.459 1.00 0.00 C ATOM 253 O LEU A 19 0.675 6.841 2.847 1.00 0.00 O ATOM 254 CB LEU A 19 2.194 4.341 2.277 1.00 0.00 C ATOM 255 CG LEU A 19 1.135 4.434 1.178 1.00 0.00 C ATOM 256 CD1 LEU A 19 1.669 5.212 -0.014 1.00 0.00 C ATOM 257 CD2 LEU A 19 0.685 3.044 0.752 1.00 0.00 C ATOM 0 H LEU A 19 3.992 4.463 3.973 1.00 0.00 H new ATOM 0 HA LEU A 19 3.136 6.238 1.913 1.00 0.00 H new ATOM 0 HB2 LEU A 19 3.015 3.725 1.911 1.00 0.00 H new ATOM 0 HB3 LEU A 19 1.759 3.819 3.130 1.00 0.00 H new ATOM 0 HG LEU A 19 0.272 4.967 1.576 1.00 0.00 H new ATOM 0 HD11 LEU A 19 0.901 5.268 -0.786 1.00 0.00 H new ATOM 0 HD12 LEU A 19 1.940 6.220 0.301 1.00 0.00 H new ATOM 0 HD13 LEU A 19 2.549 4.707 -0.413 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -0.069 3.130 -0.031 1.00 0.00 H new ATOM 0 HD22 LEU A 19 1.540 2.485 0.373 1.00 0.00 H new ATOM 0 HD23 LEU A 19 0.261 2.520 1.609 1.00 0.00 H new ATOM 269 N GLY A 20 1.891 6.779 4.739 1.00 0.00 N ATOM 270 CA GLY A 20 0.920 7.552 5.491 1.00 0.00 C ATOM 271 C GLY A 20 -0.506 7.109 5.224 1.00 0.00 C ATOM 272 O GLY A 20 -1.380 7.934 4.956 1.00 0.00 O ATOM 0 H GLY A 20 2.716 6.496 5.268 1.00 0.00 H new ATOM 0 HA2 GLY A 20 1.133 7.459 6.556 1.00 0.00 H new ATOM 0 HA3 GLY A 20 1.023 8.607 5.236 1.00 0.00 H new ATOM 276 N VAL A 21 -0.742 5.803 5.296 1.00 0.00 N ATOM 277 CA VAL A 21 -2.071 5.252 5.059 1.00 0.00 C ATOM 278 C VAL A 21 -2.292 3.982 5.872 1.00 0.00 C ATOM 279 O VAL A 21 -1.346 3.255 6.178 1.00 0.00 O ATOM 280 CB VAL A 21 -2.291 4.938 3.567 1.00 0.00 C ATOM 281 CG1 VAL A 21 -1.709 3.578 3.216 1.00 0.00 C ATOM 282 CG2 VAL A 21 -3.771 4.999 3.223 1.00 0.00 C ATOM 0 H VAL A 21 -0.030 5.107 5.517 1.00 0.00 H new ATOM 0 HA VAL A 21 -2.788 6.010 5.373 1.00 0.00 H new ATOM 0 HB VAL A 21 -1.772 5.692 2.974 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -1.874 3.374 2.158 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -0.639 3.576 3.423 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -2.196 2.808 3.815 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -3.908 4.775 2.165 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -4.314 4.268 3.822 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -4.153 5.998 3.435 1.00 0.00 H new ATOM 292 N VAL A 22 -3.547 3.719 6.220 1.00 0.00 N ATOM 293 CA VAL A 22 -3.894 2.535 6.997 1.00 0.00 C ATOM 294 C VAL A 22 -4.831 1.621 6.216 1.00 0.00 C ATOM 295 O VAL A 22 -5.755 2.086 5.548 1.00 0.00 O ATOM 296 CB VAL A 22 -4.561 2.915 8.333 1.00 0.00 C ATOM 297 CG1 VAL A 22 -4.910 1.668 9.130 1.00 0.00 C ATOM 298 CG2 VAL A 22 -3.655 3.836 9.137 1.00 0.00 C ATOM 0 H VAL A 22 -4.341 4.310 5.976 1.00 0.00 H new ATOM 0 HA VAL A 22 -2.963 2.007 7.202 1.00 0.00 H new ATOM 0 HB VAL A 22 -5.486 3.450 8.118 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -5.380 1.957 10.070 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -5.599 1.050 8.555 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -4.001 1.103 9.337 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -4.141 4.095 10.078 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -2.712 3.329 9.343 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -3.462 4.745 8.567 1.00 0.00 H new ATOM 308 N ILE A 23 -4.587 0.317 6.306 1.00 0.00 N ATOM 309 CA ILE A 23 -5.410 -0.663 5.609 1.00 0.00 C ATOM 310 C ILE A 23 -5.996 -1.680 6.582 1.00 0.00 C ATOM 311 O ILE A 23 -5.434 -1.930 7.649 1.00 0.00 O ATOM 312 CB ILE A 23 -4.605 -1.408 4.529 1.00 0.00 C ATOM 313 CG1 ILE A 23 -3.400 -2.113 5.155 1.00 0.00 C ATOM 314 CG2 ILE A 23 -4.154 -0.442 3.443 1.00 0.00 C ATOM 315 CD1 ILE A 23 -2.990 -3.373 4.426 1.00 0.00 C ATOM 0 H ILE A 23 -3.826 -0.084 6.855 1.00 0.00 H new ATOM 0 HA ILE A 23 -6.220 -0.112 5.131 1.00 0.00 H new ATOM 0 HB ILE A 23 -5.248 -2.162 4.074 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -2.556 -1.424 5.175 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -3.633 -2.362 6.190 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -3.586 -0.984 2.687 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -5.027 0.019 2.980 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -3.526 0.332 3.883 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -2.130 -3.819 4.926 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -3.819 -4.081 4.429 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -2.725 -3.128 3.397 1.00 0.00 H new ATOM 327 N VAL A 24 -7.129 -2.266 6.207 1.00 0.00 N ATOM 328 CA VAL A 24 -7.791 -3.258 7.045 1.00 0.00 C ATOM 329 C VAL A 24 -8.442 -4.346 6.199 1.00 0.00 C ATOM 330 O VAL A 24 -8.648 -4.172 4.998 1.00 0.00 O ATOM 331 CB VAL A 24 -8.862 -2.611 7.942 1.00 0.00 C ATOM 332 CG1 VAL A 24 -8.212 -1.772 9.031 1.00 0.00 C ATOM 333 CG2 VAL A 24 -9.818 -1.771 7.109 1.00 0.00 C ATOM 0 H VAL A 24 -7.607 -2.070 5.328 1.00 0.00 H new ATOM 0 HA VAL A 24 -7.021 -3.704 7.675 1.00 0.00 H new ATOM 0 HB VAL A 24 -9.435 -3.404 8.422 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -8.985 -1.323 9.655 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -7.573 -2.406 9.646 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -7.612 -0.985 8.574 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -10.568 -1.321 7.759 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -9.262 -0.985 6.599 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -10.310 -2.404 6.371 1.00 0.00 H new ATOM 343 N GLU A 25 -8.763 -5.469 6.833 1.00 0.00 N ATOM 344 CA GLU A 25 -9.391 -6.586 6.137 1.00 0.00 C ATOM 345 C GLU A 25 -10.580 -6.111 5.307 1.00 0.00 C ATOM 346 O GLU A 25 -11.342 -5.244 5.734 1.00 0.00 O ATOM 347 CB GLU A 25 -9.847 -7.649 7.139 1.00 0.00 C ATOM 348 CG GLU A 25 -8.715 -8.517 7.662 1.00 0.00 C ATOM 349 CD GLU A 25 -9.203 -9.624 8.577 1.00 0.00 C ATOM 350 OE1 GLU A 25 -10.296 -10.169 8.316 1.00 0.00 O ATOM 351 OE2 GLU A 25 -8.494 -9.944 9.553 1.00 0.00 O ATOM 0 H GLU A 25 -8.599 -5.630 7.827 1.00 0.00 H new ATOM 0 HA GLU A 25 -8.652 -7.023 5.465 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -10.335 -7.157 7.980 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -10.593 -8.287 6.665 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -8.180 -8.956 6.820 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -8.003 -7.893 8.201 1.00 0.00 H new ATOM 358 N SER A 26 -10.732 -6.685 4.118 1.00 0.00 N ATOM 359 CA SER A 26 -11.825 -6.318 3.225 1.00 0.00 C ATOM 360 C SER A 26 -13.135 -6.951 3.682 1.00 0.00 C ATOM 361 O SER A 26 -13.879 -7.514 2.880 1.00 0.00 O ATOM 362 CB SER A 26 -11.508 -6.751 1.792 1.00 0.00 C ATOM 363 OG SER A 26 -12.114 -5.881 0.852 1.00 0.00 O ATOM 0 H SER A 26 -10.112 -7.406 3.750 1.00 0.00 H new ATOM 0 HA SER A 26 -11.936 -5.234 3.253 1.00 0.00 H new ATOM 0 HB2 SER A 26 -10.428 -6.760 1.641 1.00 0.00 H new ATOM 0 HB3 SER A 26 -11.861 -7.770 1.630 1.00 0.00 H new ATOM 0 HG SER A 26 -11.896 -6.177 -0.056 1.00 0.00 H new ATOM 369 N GLY A 27 -13.412 -6.853 4.979 1.00 0.00 N ATOM 370 CA GLY A 27 -14.632 -7.420 5.522 1.00 0.00 C ATOM 371 C GLY A 27 -15.029 -8.710 4.832 1.00 0.00 C ATOM 372 O GLY A 27 -16.215 -9.026 4.726 1.00 0.00 O ATOM 0 H GLY A 27 -12.813 -6.391 5.663 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -14.499 -7.608 6.587 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -15.441 -6.696 5.424 1.00 0.00 H new ATOM 376 N TRP A 28 -14.037 -9.456 4.361 1.00 0.00 N ATOM 377 CA TRP A 28 -14.290 -10.719 3.675 1.00 0.00 C ATOM 378 C TRP A 28 -15.593 -10.659 2.886 1.00 0.00 C ATOM 379 O TRP A 28 -16.333 -11.638 2.816 1.00 0.00 O ATOM 380 CB TRP A 28 -14.342 -11.868 4.683 1.00 0.00 C ATOM 381 CG TRP A 28 -13.020 -12.154 5.327 1.00 0.00 C ATOM 382 CD1 TRP A 28 -12.345 -11.353 6.204 1.00 0.00 C ATOM 383 CD2 TRP A 28 -12.212 -13.322 5.144 1.00 0.00 C ATOM 384 NE1 TRP A 28 -11.166 -11.953 6.577 1.00 0.00 N ATOM 385 CE2 TRP A 28 -11.061 -13.162 5.941 1.00 0.00 C ATOM 386 CE3 TRP A 28 -12.349 -14.488 4.387 1.00 0.00 C ATOM 387 CZ2 TRP A 28 -10.056 -14.124 5.999 1.00 0.00 C ATOM 388 CZ3 TRP A 28 -11.351 -15.442 4.445 1.00 0.00 C ATOM 389 CH2 TRP A 28 -10.217 -15.255 5.247 1.00 0.00 C ATOM 0 H TRP A 28 -13.051 -9.209 4.441 1.00 0.00 H new ATOM 0 HA TRP A 28 -13.472 -10.894 2.976 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -15.071 -11.630 5.457 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -14.695 -12.768 4.179 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -12.687 -10.390 6.553 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -10.480 -11.562 7.223 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -13.220 -14.641 3.767 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -9.181 -13.982 6.616 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -11.446 -16.347 3.863 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -9.455 -16.020 5.272 1.00 0.00 H new ATOM 400 N GLY A 29 -15.867 -9.501 2.291 1.00 0.00 N ATOM 401 CA GLY A 29 -17.081 -9.335 1.514 1.00 0.00 C ATOM 402 C GLY A 29 -16.809 -9.237 0.027 1.00 0.00 C ATOM 403 O GLY A 29 -17.105 -10.162 -0.728 1.00 0.00 O ATOM 0 H GLY A 29 -15.269 -8.675 2.334 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -17.748 -10.176 1.703 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -17.600 -8.436 1.845 1.00 0.00 H new ATOM 407 N SER A 30 -16.244 -8.110 -0.397 1.00 0.00 N ATOM 408 CA SER A 30 -15.937 -7.891 -1.805 1.00 0.00 C ATOM 409 C SER A 30 -15.451 -9.180 -2.462 1.00 0.00 C ATOM 410 O SER A 30 -14.782 -9.998 -1.829 1.00 0.00 O ATOM 411 CB SER A 30 -14.876 -6.799 -1.954 1.00 0.00 C ATOM 412 OG SER A 30 -14.600 -6.538 -3.319 1.00 0.00 O ATOM 0 H SER A 30 -15.990 -7.335 0.215 1.00 0.00 H new ATOM 0 HA SER A 30 -16.851 -7.570 -2.305 1.00 0.00 H new ATOM 0 HB2 SER A 30 -15.219 -5.886 -1.468 1.00 0.00 H new ATOM 0 HB3 SER A 30 -13.961 -7.105 -1.447 1.00 0.00 H new ATOM 0 HG SER A 30 -13.953 -5.805 -3.388 1.00 0.00 H new ATOM 418 N ILE A 31 -15.793 -9.354 -3.734 1.00 0.00 N ATOM 419 CA ILE A 31 -15.392 -10.542 -4.477 1.00 0.00 C ATOM 420 C ILE A 31 -14.003 -11.010 -4.057 1.00 0.00 C ATOM 421 O ILE A 31 -13.826 -12.145 -3.611 1.00 0.00 O ATOM 422 CB ILE A 31 -15.398 -10.285 -5.995 1.00 0.00 C ATOM 423 CG1 ILE A 31 -16.806 -9.919 -6.468 1.00 0.00 C ATOM 424 CG2 ILE A 31 -14.883 -11.506 -6.741 1.00 0.00 C ATOM 425 CD1 ILE A 31 -17.887 -10.805 -5.888 1.00 0.00 C ATOM 0 H ILE A 31 -16.347 -8.687 -4.272 1.00 0.00 H new ATOM 0 HA ILE A 31 -16.120 -11.320 -4.246 1.00 0.00 H new ATOM 0 HB ILE A 31 -14.735 -9.447 -6.209 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -17.013 -8.883 -6.199 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -16.842 -9.979 -7.556 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -14.893 -11.309 -7.813 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -13.864 -11.724 -6.422 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -15.522 -12.362 -6.523 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -18.859 -10.488 -6.266 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -17.704 -11.840 -6.178 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -17.878 -10.726 -4.801 1.00 0.00 H new ATOM 437 N LEU A 32 -13.020 -10.128 -4.200 1.00 0.00 N ATOM 438 CA LEU A 32 -11.645 -10.450 -3.833 1.00 0.00 C ATOM 439 C LEU A 32 -11.267 -9.797 -2.508 1.00 0.00 C ATOM 440 O LEU A 32 -10.842 -8.643 -2.455 1.00 0.00 O ATOM 441 CB LEU A 32 -10.683 -9.993 -4.932 1.00 0.00 C ATOM 442 CG LEU A 32 -10.553 -10.923 -6.139 1.00 0.00 C ATOM 443 CD1 LEU A 32 -9.842 -12.209 -5.747 1.00 0.00 C ATOM 444 CD2 LEU A 32 -11.922 -11.226 -6.729 1.00 0.00 C ATOM 0 H LEU A 32 -13.149 -9.185 -4.567 1.00 0.00 H new ATOM 0 HA LEU A 32 -11.570 -11.531 -3.718 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -11.006 -9.014 -5.286 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -9.695 -9.862 -4.491 1.00 0.00 H new ATOM 0 HG LEU A 32 -9.956 -10.419 -6.899 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -9.758 -12.859 -6.618 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -8.846 -11.974 -5.372 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -10.412 -12.717 -4.969 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -11.810 -11.889 -7.587 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -12.544 -11.709 -5.976 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -12.394 -10.297 -7.048 1.00 0.00 H new ATOM 456 N PRO A 33 -11.424 -10.552 -1.410 1.00 0.00 N ATOM 457 CA PRO A 33 -11.103 -10.068 -0.064 1.00 0.00 C ATOM 458 C PRO A 33 -9.603 -9.897 0.148 1.00 0.00 C ATOM 459 O PRO A 33 -8.923 -10.811 0.617 1.00 0.00 O ATOM 460 CB PRO A 33 -11.651 -11.168 0.849 1.00 0.00 C ATOM 461 CG PRO A 33 -11.647 -12.396 0.006 1.00 0.00 C ATOM 462 CD PRO A 33 -11.926 -11.936 -1.398 1.00 0.00 C ATOM 0 HA PRO A 33 -11.531 -9.084 0.128 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -11.029 -11.294 1.735 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -12.656 -10.930 1.197 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -10.686 -12.907 0.065 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -12.405 -13.103 0.343 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -11.413 -12.556 -2.133 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -12.990 -11.980 -1.631 1.00 0.00 H new ATOM 470 N THR A 34 -9.090 -8.720 -0.199 1.00 0.00 N ATOM 471 CA THR A 34 -7.670 -8.431 -0.047 1.00 0.00 C ATOM 472 C THR A 34 -7.427 -7.465 1.107 1.00 0.00 C ATOM 473 O THR A 34 -6.981 -7.866 2.182 1.00 0.00 O ATOM 474 CB THR A 34 -7.078 -7.831 -1.337 1.00 0.00 C ATOM 475 OG1 THR A 34 -7.715 -6.584 -1.635 1.00 0.00 O ATOM 476 CG2 THR A 34 -7.252 -8.787 -2.507 1.00 0.00 C ATOM 0 H THR A 34 -9.638 -7.952 -0.587 1.00 0.00 H new ATOM 0 HA THR A 34 -7.175 -9.379 0.165 1.00 0.00 H new ATOM 0 HB THR A 34 -6.012 -7.665 -1.179 1.00 0.00 H new ATOM 0 HG1 THR A 34 -7.211 -6.119 -2.335 1.00 0.00 H new ATOM 0 HG21 THR A 34 -6.827 -8.342 -3.407 1.00 0.00 H new ATOM 0 HG22 THR A 34 -6.741 -9.725 -2.290 1.00 0.00 H new ATOM 0 HG23 THR A 34 -8.313 -8.980 -2.665 1.00 0.00 H new ATOM 484 N VAL A 35 -7.722 -6.189 0.877 1.00 0.00 N ATOM 485 CA VAL A 35 -7.537 -5.166 1.899 1.00 0.00 C ATOM 486 C VAL A 35 -8.044 -3.811 1.419 1.00 0.00 C ATOM 487 O VAL A 35 -7.915 -3.470 0.242 1.00 0.00 O ATOM 488 CB VAL A 35 -6.055 -5.034 2.299 1.00 0.00 C ATOM 489 CG1 VAL A 35 -5.726 -5.977 3.446 1.00 0.00 C ATOM 490 CG2 VAL A 35 -5.155 -5.302 1.103 1.00 0.00 C ATOM 0 H VAL A 35 -8.090 -5.840 -0.008 1.00 0.00 H new ATOM 0 HA VAL A 35 -8.115 -5.480 2.769 1.00 0.00 H new ATOM 0 HB VAL A 35 -5.877 -4.013 2.637 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -4.675 -5.870 3.715 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -6.348 -5.733 4.307 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -5.919 -7.005 3.139 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -4.112 -5.204 1.404 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -5.333 -6.312 0.733 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -5.374 -4.582 0.314 1.00 0.00 H new ATOM 500 N ILE A 36 -8.621 -3.042 2.336 1.00 0.00 N ATOM 501 CA ILE A 36 -9.147 -1.724 2.006 1.00 0.00 C ATOM 502 C ILE A 36 -8.639 -0.669 2.983 1.00 0.00 C ATOM 503 O ILE A 36 -8.346 -0.970 4.140 1.00 0.00 O ATOM 504 CB ILE A 36 -10.687 -1.713 2.012 1.00 0.00 C ATOM 505 CG1 ILE A 36 -11.218 -2.392 3.277 1.00 0.00 C ATOM 506 CG2 ILE A 36 -11.227 -2.403 0.769 1.00 0.00 C ATOM 507 CD1 ILE A 36 -12.717 -2.275 3.442 1.00 0.00 C ATOM 0 H ILE A 36 -8.736 -3.309 3.314 1.00 0.00 H new ATOM 0 HA ILE A 36 -8.795 -1.487 1.002 1.00 0.00 H new ATOM 0 HB ILE A 36 -11.028 -0.678 2.006 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -10.944 -3.447 3.256 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -10.730 -1.954 4.147 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -12.317 -2.387 0.788 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -10.872 -1.881 -0.120 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -10.880 -3.436 0.746 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -13.023 -2.779 4.359 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -12.996 -1.223 3.496 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -13.214 -2.739 2.590 1.00 0.00 H new ATOM 519 N ILE A 37 -8.538 0.568 2.509 1.00 0.00 N ATOM 520 CA ILE A 37 -8.067 1.669 3.342 1.00 0.00 C ATOM 521 C ILE A 37 -9.035 1.942 4.489 1.00 0.00 C ATOM 522 O ILE A 37 -10.234 2.116 4.275 1.00 0.00 O ATOM 523 CB ILE A 37 -7.885 2.958 2.521 1.00 0.00 C ATOM 524 CG1 ILE A 37 -7.181 2.651 1.197 1.00 0.00 C ATOM 525 CG2 ILE A 37 -7.099 3.988 3.318 1.00 0.00 C ATOM 526 CD1 ILE A 37 -8.134 2.344 0.063 1.00 0.00 C ATOM 0 H ILE A 37 -8.776 0.834 1.553 1.00 0.00 H new ATOM 0 HA ILE A 37 -7.101 1.368 3.748 1.00 0.00 H new ATOM 0 HB ILE A 37 -8.869 3.372 2.300 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -6.560 3.503 0.919 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -6.512 1.802 1.339 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -6.979 4.894 2.724 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -7.637 4.225 4.236 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -6.117 3.584 3.566 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -7.566 2.136 -0.844 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -8.738 1.474 0.320 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -8.786 3.201 -0.106 1.00 0.00 H new ATOM 538 N ALA A 38 -8.504 1.980 5.707 1.00 0.00 N ATOM 539 CA ALA A 38 -9.319 2.237 6.887 1.00 0.00 C ATOM 540 C ALA A 38 -9.207 3.693 7.327 1.00 0.00 C ATOM 541 O ALA A 38 -10.104 4.225 7.979 1.00 0.00 O ATOM 542 CB ALA A 38 -8.912 1.308 8.022 1.00 0.00 C ATOM 0 H ALA A 38 -7.513 1.836 5.902 1.00 0.00 H new ATOM 0 HA ALA A 38 -10.360 2.043 6.628 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -9.529 1.511 8.897 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -9.051 0.272 7.712 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -7.864 1.475 8.270 1.00 0.00 H new ATOM 548 N ASN A 39 -8.098 4.331 6.965 1.00 0.00 N ATOM 549 CA ASN A 39 -7.868 5.726 7.324 1.00 0.00 C ATOM 550 C ASN A 39 -6.646 6.279 6.598 1.00 0.00 C ATOM 551 O ASN A 39 -5.748 5.530 6.212 1.00 0.00 O ATOM 552 CB ASN A 39 -7.682 5.861 8.836 1.00 0.00 C ATOM 553 CG ASN A 39 -8.126 7.215 9.355 1.00 0.00 C ATOM 554 OD1 ASN A 39 -7.370 8.254 9.021 1.00 0.00 O flip ATOM 555 ND2 ASN A 39 -9.138 7.325 10.047 1.00 0.00 N flip ATOM 0 H ASN A 39 -7.346 3.905 6.424 1.00 0.00 H new ATOM 0 HA ASN A 39 -8.741 6.303 7.020 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -8.249 5.078 9.340 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -6.632 5.706 9.085 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -9.689 6.499 10.279 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -9.425 8.242 10.388 1.00 0.00 H new ATOM 562 N MET A 40 -6.618 7.595 6.416 1.00 0.00 N ATOM 563 CA MET A 40 -5.505 8.250 5.738 1.00 0.00 C ATOM 564 C MET A 40 -4.827 9.260 6.658 1.00 0.00 C ATOM 565 O MET A 40 -5.487 9.936 7.446 1.00 0.00 O ATOM 566 CB MET A 40 -5.993 8.946 4.467 1.00 0.00 C ATOM 567 CG MET A 40 -6.203 7.999 3.297 1.00 0.00 C ATOM 568 SD MET A 40 -6.460 8.867 1.737 1.00 0.00 S ATOM 569 CE MET A 40 -8.087 8.270 1.283 1.00 0.00 C ATOM 0 H MET A 40 -7.353 8.229 6.729 1.00 0.00 H new ATOM 0 HA MET A 40 -4.776 7.486 5.467 1.00 0.00 H new ATOM 0 HB2 MET A 40 -6.931 9.459 4.681 1.00 0.00 H new ATOM 0 HB3 MET A 40 -5.270 9.710 4.180 1.00 0.00 H new ATOM 0 HG2 MET A 40 -5.337 7.344 3.205 1.00 0.00 H new ATOM 0 HG3 MET A 40 -7.064 7.362 3.500 1.00 0.00 H new ATOM 0 HE1 MET A 40 -8.278 8.495 0.234 1.00 0.00 H new ATOM 0 HE2 MET A 40 -8.135 7.192 1.437 1.00 0.00 H new ATOM 0 HE3 MET A 40 -8.840 8.759 1.902 1.00 0.00 H new ATOM 579 N MET A 41 -3.506 9.357 6.551 1.00 0.00 N ATOM 580 CA MET A 41 -2.739 10.287 7.373 1.00 0.00 C ATOM 581 C MET A 41 -3.162 11.727 7.103 1.00 0.00 C ATOM 582 O MET A 41 -3.701 12.038 6.040 1.00 0.00 O ATOM 583 CB MET A 41 -1.242 10.124 7.104 1.00 0.00 C ATOM 584 CG MET A 41 -0.370 10.446 8.306 1.00 0.00 C ATOM 585 SD MET A 41 -0.671 9.342 9.699 1.00 0.00 S ATOM 586 CE MET A 41 0.437 7.991 9.306 1.00 0.00 C ATOM 0 H MET A 41 -2.944 8.804 5.904 1.00 0.00 H new ATOM 0 HA MET A 41 -2.940 10.058 8.420 1.00 0.00 H new ATOM 0 HB2 MET A 41 -1.047 9.099 6.789 1.00 0.00 H new ATOM 0 HB3 MET A 41 -0.957 10.772 6.275 1.00 0.00 H new ATOM 0 HG2 MET A 41 0.679 10.382 8.017 1.00 0.00 H new ATOM 0 HG3 MET A 41 -0.552 11.475 8.617 1.00 0.00 H new ATOM 0 HE1 MET A 41 0.876 7.602 10.224 1.00 0.00 H new ATOM 0 HE2 MET A 41 -0.119 7.198 8.806 1.00 0.00 H new ATOM 0 HE3 MET A 41 1.229 8.349 8.648 1.00 0.00 H new ATOM 596 N HIS A 42 -2.915 12.603 8.072 1.00 0.00 N ATOM 597 CA HIS A 42 -3.270 14.012 7.938 1.00 0.00 C ATOM 598 C HIS A 42 -2.164 14.786 7.227 1.00 0.00 C ATOM 599 O HIS A 42 -1.802 15.888 7.637 1.00 0.00 O ATOM 600 CB HIS A 42 -3.536 14.625 9.313 1.00 0.00 C ATOM 601 CG HIS A 42 -4.710 14.023 10.021 1.00 0.00 C ATOM 602 ND1 HIS A 42 -4.643 13.532 11.308 1.00 0.00 N ATOM 603 CD2 HIS A 42 -5.988 13.836 9.615 1.00 0.00 C ATOM 604 CE1 HIS A 42 -5.827 13.067 11.662 1.00 0.00 C ATOM 605 NE2 HIS A 42 -6.661 13.240 10.653 1.00 0.00 N ATOM 0 H HIS A 42 -2.471 12.362 8.958 1.00 0.00 H new ATOM 0 HA HIS A 42 -4.178 14.078 7.338 1.00 0.00 H new ATOM 0 HB2 HIS A 42 -2.648 14.505 9.933 1.00 0.00 H new ATOM 0 HB3 HIS A 42 -3.702 15.696 9.198 1.00 0.00 H new ATOM 0 HD2 HIS A 42 -6.401 14.105 8.654 1.00 0.00 H new ATOM 0 HE1 HIS A 42 -6.072 12.621 12.615 1.00 0.00 H new ATOM 0 HE2 HIS A 42 -7.646 12.974 10.646 1.00 0.00 H new ATOM 614 N GLY A 43 -1.630 14.200 6.159 1.00 0.00 N ATOM 615 CA GLY A 43 -0.571 14.849 5.409 1.00 0.00 C ATOM 616 C GLY A 43 0.419 13.859 4.828 1.00 0.00 C ATOM 617 O GLY A 43 1.610 14.149 4.725 1.00 0.00 O ATOM 0 H GLY A 43 -1.912 13.288 5.800 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -1.009 15.436 4.602 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -0.043 15.546 6.060 1.00 0.00 H new ATOM 621 N GLY A 44 -0.075 12.684 4.449 1.00 0.00 N ATOM 622 CA GLY A 44 0.788 11.664 3.883 1.00 0.00 C ATOM 623 C GLY A 44 0.715 11.619 2.369 1.00 0.00 C ATOM 624 O GLY A 44 0.023 12.416 1.735 1.00 0.00 O ATOM 0 H GLY A 44 -1.058 12.421 4.524 1.00 0.00 H new ATOM 0 HA2 GLY A 44 1.817 11.852 4.189 1.00 0.00 H new ATOM 0 HA3 GLY A 44 0.508 10.691 4.286 1.00 0.00 H new ATOM 628 N PRO A 45 1.445 10.669 1.766 1.00 0.00 N ATOM 629 CA PRO A 45 1.478 10.501 0.310 1.00 0.00 C ATOM 630 C PRO A 45 0.158 9.977 -0.243 1.00 0.00 C ATOM 631 O PRO A 45 -0.269 10.365 -1.330 1.00 0.00 O ATOM 632 CB PRO A 45 2.593 9.475 0.097 1.00 0.00 C ATOM 633 CG PRO A 45 2.652 8.708 1.373 1.00 0.00 C ATOM 634 CD PRO A 45 2.293 9.685 2.459 1.00 0.00 C ATOM 0 HA PRO A 45 1.646 11.446 -0.206 1.00 0.00 H new ATOM 0 HB2 PRO A 45 2.374 8.822 -0.748 1.00 0.00 H new ATOM 0 HB3 PRO A 45 3.544 9.963 -0.116 1.00 0.00 H new ATOM 0 HG2 PRO A 45 1.956 7.869 1.357 1.00 0.00 H new ATOM 0 HG3 PRO A 45 3.647 8.294 1.534 1.00 0.00 H new ATOM 0 HD2 PRO A 45 1.759 9.199 3.276 1.00 0.00 H new ATOM 0 HD3 PRO A 45 3.179 10.151 2.890 1.00 0.00 H new ATOM 642 N ALA A 46 -0.485 9.092 0.512 1.00 0.00 N ATOM 643 CA ALA A 46 -1.759 8.516 0.097 1.00 0.00 C ATOM 644 C ALA A 46 -2.867 9.563 0.117 1.00 0.00 C ATOM 645 O ALA A 46 -3.664 9.654 -0.816 1.00 0.00 O ATOM 646 CB ALA A 46 -2.123 7.342 0.993 1.00 0.00 C ATOM 0 H ALA A 46 -0.145 8.758 1.414 1.00 0.00 H new ATOM 0 HA ALA A 46 -1.652 8.158 -0.927 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -3.076 6.921 0.672 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -1.348 6.578 0.925 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -2.206 7.684 2.025 1.00 0.00 H new ATOM 652 N GLU A 47 -2.912 10.351 1.188 1.00 0.00 N ATOM 653 CA GLU A 47 -3.925 11.390 1.329 1.00 0.00 C ATOM 654 C GLU A 47 -3.728 12.486 0.285 1.00 0.00 C ATOM 655 O GLU A 47 -4.691 13.094 -0.183 1.00 0.00 O ATOM 656 CB GLU A 47 -3.876 11.994 2.734 1.00 0.00 C ATOM 657 CG GLU A 47 -4.735 13.237 2.892 1.00 0.00 C ATOM 658 CD GLU A 47 -6.144 12.917 3.353 1.00 0.00 C ATOM 659 OE1 GLU A 47 -6.917 12.352 2.551 1.00 0.00 O ATOM 660 OE2 GLU A 47 -6.474 13.232 4.515 1.00 0.00 O ATOM 0 H GLU A 47 -2.259 10.289 1.969 1.00 0.00 H new ATOM 0 HA GLU A 47 -4.902 10.933 1.172 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -4.201 11.244 3.455 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -2.843 12.243 2.978 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -4.266 13.910 3.610 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -4.779 13.767 1.941 1.00 0.00 H new ATOM 667 N LYS A 48 -2.473 12.734 -0.075 1.00 0.00 N ATOM 668 CA LYS A 48 -2.148 13.755 -1.063 1.00 0.00 C ATOM 669 C LYS A 48 -2.304 13.212 -2.479 1.00 0.00 C ATOM 670 O LYS A 48 -2.745 13.923 -3.382 1.00 0.00 O ATOM 671 CB LYS A 48 -0.718 14.259 -0.853 1.00 0.00 C ATOM 672 CG LYS A 48 -0.618 15.418 0.123 1.00 0.00 C ATOM 673 CD LYS A 48 0.828 15.797 0.393 1.00 0.00 C ATOM 674 CE LYS A 48 1.464 14.874 1.421 1.00 0.00 C ATOM 675 NZ LYS A 48 2.829 15.327 1.805 1.00 0.00 N ATOM 0 H LYS A 48 -1.664 12.241 0.303 1.00 0.00 H new ATOM 0 HA LYS A 48 -2.843 14.585 -0.933 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -0.101 13.436 -0.491 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -0.306 14.568 -1.814 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -1.152 16.279 -0.278 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -1.105 15.149 1.060 1.00 0.00 H new ATOM 0 HD2 LYS A 48 1.396 15.754 -0.536 1.00 0.00 H new ATOM 0 HD3 LYS A 48 0.875 16.826 0.748 1.00 0.00 H new ATOM 0 HE2 LYS A 48 0.833 14.830 2.309 1.00 0.00 H new ATOM 0 HE3 LYS A 48 1.517 13.863 1.017 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 3.228 14.671 2.507 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 3.439 15.345 0.963 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 2.776 16.282 2.214 1.00 0.00 H new ATOM 689 N SER A 49 -1.941 11.947 -2.666 1.00 0.00 N ATOM 690 CA SER A 49 -2.039 11.309 -3.974 1.00 0.00 C ATOM 691 C SER A 49 -3.455 11.427 -4.531 1.00 0.00 C ATOM 692 O SER A 49 -3.649 11.783 -5.693 1.00 0.00 O ATOM 693 CB SER A 49 -1.639 9.835 -3.877 1.00 0.00 C ATOM 694 OG SER A 49 -2.581 9.100 -3.116 1.00 0.00 O ATOM 0 H SER A 49 -1.576 11.344 -1.929 1.00 0.00 H new ATOM 0 HA SER A 49 -1.356 11.820 -4.652 1.00 0.00 H new ATOM 0 HB2 SER A 49 -1.563 9.409 -4.877 1.00 0.00 H new ATOM 0 HB3 SER A 49 -0.653 9.752 -3.420 1.00 0.00 H new ATOM 0 HG SER A 49 -2.858 9.629 -2.339 1.00 0.00 H new ATOM 700 N GLY A 50 -4.442 11.126 -3.693 1.00 0.00 N ATOM 701 CA GLY A 50 -5.827 11.204 -4.119 1.00 0.00 C ATOM 702 C GLY A 50 -6.199 10.100 -5.088 1.00 0.00 C ATOM 703 O GLY A 50 -7.235 10.166 -5.749 1.00 0.00 O ATOM 0 H GLY A 50 -4.307 10.829 -2.726 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -6.476 11.150 -3.245 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -6.005 12.171 -4.589 1.00 0.00 H new ATOM 707 N LYS A 51 -5.351 9.081 -5.175 1.00 0.00 N ATOM 708 CA LYS A 51 -5.594 7.956 -6.071 1.00 0.00 C ATOM 709 C LYS A 51 -6.523 6.935 -5.422 1.00 0.00 C ATOM 710 O LYS A 51 -7.182 6.155 -6.110 1.00 0.00 O ATOM 711 CB LYS A 51 -4.272 7.288 -6.455 1.00 0.00 C ATOM 712 CG LYS A 51 -3.198 8.270 -6.889 1.00 0.00 C ATOM 713 CD LYS A 51 -3.244 8.520 -8.387 1.00 0.00 C ATOM 714 CE LYS A 51 -4.157 9.688 -8.729 1.00 0.00 C ATOM 715 NZ LYS A 51 -4.564 9.673 -10.161 1.00 0.00 N ATOM 0 H LYS A 51 -4.488 9.011 -4.635 1.00 0.00 H new ATOM 0 HA LYS A 51 -6.075 8.338 -6.971 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -3.905 6.713 -5.605 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -4.454 6.580 -7.264 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -3.329 9.213 -6.358 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -2.217 7.883 -6.614 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -2.238 8.723 -8.754 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -3.594 7.622 -8.896 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -5.045 9.651 -8.099 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -3.647 10.625 -8.506 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -5.185 10.484 -10.354 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -3.718 9.734 -10.763 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -5.073 8.790 -10.368 1.00 0.00 H new ATOM 729 N LEU A 52 -6.571 6.946 -4.094 1.00 0.00 N ATOM 730 CA LEU A 52 -7.421 6.021 -3.352 1.00 0.00 C ATOM 731 C LEU A 52 -8.441 6.777 -2.508 1.00 0.00 C ATOM 732 O LEU A 52 -8.429 8.006 -2.456 1.00 0.00 O ATOM 733 CB LEU A 52 -6.568 5.120 -2.457 1.00 0.00 C ATOM 734 CG LEU A 52 -5.491 5.823 -1.629 1.00 0.00 C ATOM 735 CD1 LEU A 52 -4.349 6.286 -2.521 1.00 0.00 C ATOM 736 CD2 LEU A 52 -6.086 6.999 -0.868 1.00 0.00 C ATOM 0 H LEU A 52 -6.032 7.585 -3.509 1.00 0.00 H new ATOM 0 HA LEU A 52 -7.959 5.403 -4.071 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -7.231 4.586 -1.776 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -6.085 4.371 -3.084 1.00 0.00 H new ATOM 0 HG LEU A 52 -5.094 5.111 -0.905 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -3.592 6.784 -1.914 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -3.905 5.425 -3.020 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -4.730 6.982 -3.268 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -5.305 7.487 -0.284 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -6.511 7.712 -1.574 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -6.869 6.641 -0.199 1.00 0.00 H new ATOM 748 N ASN A 53 -9.322 6.033 -1.846 1.00 0.00 N ATOM 749 CA ASN A 53 -10.348 6.634 -1.002 1.00 0.00 C ATOM 750 C ASN A 53 -10.779 5.671 0.100 1.00 0.00 C ATOM 751 O ASN A 53 -10.715 4.452 -0.067 1.00 0.00 O ATOM 752 CB ASN A 53 -11.560 7.036 -1.845 1.00 0.00 C ATOM 753 CG ASN A 53 -11.180 7.400 -3.267 1.00 0.00 C ATOM 754 OD1 ASN A 53 -10.641 6.434 -4.001 1.00 0.00 O flip ATOM 755 ND2 ASN A 53 -11.370 8.537 -3.701 1.00 0.00 N flip ATOM 0 H ASN A 53 -9.346 5.014 -1.878 1.00 0.00 H new ATOM 0 HA ASN A 53 -9.925 7.525 -0.537 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -12.276 6.214 -1.862 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -12.060 7.884 -1.377 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -11.787 9.249 -3.101 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -11.110 8.767 -4.660 1.00 0.00 H new ATOM 762 N ILE A 54 -11.216 6.226 1.225 1.00 0.00 N ATOM 763 CA ILE A 54 -11.658 5.416 2.354 1.00 0.00 C ATOM 764 C ILE A 54 -12.707 4.397 1.922 1.00 0.00 C ATOM 765 O ILE A 54 -13.859 4.747 1.667 1.00 0.00 O ATOM 766 CB ILE A 54 -12.241 6.290 3.480 1.00 0.00 C ATOM 767 CG1 ILE A 54 -11.230 7.359 3.900 1.00 0.00 C ATOM 768 CG2 ILE A 54 -12.634 5.428 4.670 1.00 0.00 C ATOM 769 CD1 ILE A 54 -9.996 6.795 4.568 1.00 0.00 C ATOM 0 H ILE A 54 -11.274 7.233 1.379 1.00 0.00 H new ATOM 0 HA ILE A 54 -10.779 4.892 2.730 1.00 0.00 H new ATOM 0 HB ILE A 54 -13.135 6.789 3.107 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -10.929 7.928 3.021 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -11.715 8.058 4.582 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -13.044 6.060 5.457 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -13.385 4.701 4.360 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -11.755 4.904 5.046 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -9.324 7.610 4.838 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -10.286 6.250 5.466 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -9.488 6.118 3.881 1.00 0.00 H new ATOM 781 N GLY A 55 -12.301 3.134 1.844 1.00 0.00 N ATOM 782 CA GLY A 55 -13.218 2.082 1.445 1.00 0.00 C ATOM 783 C GLY A 55 -12.704 1.282 0.264 1.00 0.00 C ATOM 784 O GLY A 55 -13.076 0.123 0.083 1.00 0.00 O ATOM 0 H GLY A 55 -11.353 2.820 2.050 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -13.386 1.412 2.288 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -14.182 2.522 1.190 1.00 0.00 H new ATOM 788 N ASP A 56 -11.849 1.902 -0.541 1.00 0.00 N ATOM 789 CA ASP A 56 -11.284 1.241 -1.711 1.00 0.00 C ATOM 790 C ASP A 56 -10.389 0.076 -1.298 1.00 0.00 C ATOM 791 O ASP A 56 -9.821 0.076 -0.206 1.00 0.00 O ATOM 792 CB ASP A 56 -10.487 2.239 -2.553 1.00 0.00 C ATOM 793 CG ASP A 56 -11.339 2.916 -3.608 1.00 0.00 C ATOM 794 OD1 ASP A 56 -12.494 3.275 -3.297 1.00 0.00 O ATOM 795 OD2 ASP A 56 -10.852 3.086 -4.746 1.00 0.00 O ATOM 0 H ASP A 56 -11.532 2.862 -0.405 1.00 0.00 H new ATOM 0 HA ASP A 56 -12.107 0.849 -2.309 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -10.053 2.996 -1.900 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -9.658 1.722 -3.036 1.00 0.00 H new ATOM 800 N GLN A 57 -10.270 -0.913 -2.177 1.00 0.00 N ATOM 801 CA GLN A 57 -9.445 -2.084 -1.902 1.00 0.00 C ATOM 802 C GLN A 57 -8.274 -2.166 -2.875 1.00 0.00 C ATOM 803 O GLN A 57 -8.326 -1.608 -3.972 1.00 0.00 O ATOM 804 CB GLN A 57 -10.287 -3.358 -1.990 1.00 0.00 C ATOM 805 CG GLN A 57 -10.305 -3.981 -3.377 1.00 0.00 C ATOM 806 CD GLN A 57 -11.498 -4.891 -3.592 1.00 0.00 C ATOM 807 OE1 GLN A 57 -12.599 -4.430 -3.894 1.00 0.00 O ATOM 808 NE2 GLN A 57 -11.286 -6.193 -3.438 1.00 0.00 N ATOM 0 H GLN A 57 -10.734 -0.927 -3.085 1.00 0.00 H new ATOM 0 HA GLN A 57 -9.047 -1.988 -0.892 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -9.902 -4.088 -1.278 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -11.310 -3.129 -1.690 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -10.317 -3.190 -4.127 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -9.387 -4.549 -3.528 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -10.357 -6.532 -3.187 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -12.052 -6.854 -3.571 1.00 0.00 H new ATOM 817 N ILE A 58 -7.219 -2.863 -2.466 1.00 0.00 N ATOM 818 CA ILE A 58 -6.036 -3.018 -3.303 1.00 0.00 C ATOM 819 C ILE A 58 -5.914 -4.446 -3.825 1.00 0.00 C ATOM 820 O ILE A 58 -5.756 -5.389 -3.050 1.00 0.00 O ATOM 821 CB ILE A 58 -4.752 -2.653 -2.534 1.00 0.00 C ATOM 822 CG1 ILE A 58 -4.948 -1.348 -1.760 1.00 0.00 C ATOM 823 CG2 ILE A 58 -3.576 -2.535 -3.493 1.00 0.00 C ATOM 824 CD1 ILE A 58 -3.821 -1.041 -0.798 1.00 0.00 C ATOM 0 H ILE A 58 -7.160 -3.329 -1.561 1.00 0.00 H new ATOM 0 HA ILE A 58 -6.153 -2.335 -4.145 1.00 0.00 H new ATOM 0 HB ILE A 58 -4.536 -3.448 -1.820 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -5.044 -0.526 -2.469 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -5.884 -1.401 -1.205 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -2.676 -2.277 -2.935 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -3.426 -3.486 -4.003 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -3.783 -1.757 -4.228 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -4.027 -0.102 -0.284 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -3.738 -1.845 -0.066 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -2.885 -0.955 -1.350 1.00 0.00 H new ATOM 836 N MET A 59 -5.987 -4.596 -5.143 1.00 0.00 N ATOM 837 CA MET A 59 -5.882 -5.909 -5.769 1.00 0.00 C ATOM 838 C MET A 59 -4.464 -6.457 -5.647 1.00 0.00 C ATOM 839 O MET A 59 -4.267 -7.626 -5.316 1.00 0.00 O ATOM 840 CB MET A 59 -6.286 -5.829 -7.242 1.00 0.00 C ATOM 841 CG MET A 59 -7.774 -6.030 -7.476 1.00 0.00 C ATOM 842 SD MET A 59 -8.203 -7.753 -7.787 1.00 0.00 S ATOM 843 CE MET A 59 -7.957 -8.461 -6.160 1.00 0.00 C ATOM 0 H MET A 59 -6.118 -3.825 -5.798 1.00 0.00 H new ATOM 0 HA MET A 59 -6.560 -6.587 -5.251 1.00 0.00 H new ATOM 0 HB2 MET A 59 -5.992 -4.857 -7.638 1.00 0.00 H new ATOM 0 HB3 MET A 59 -5.733 -6.582 -7.803 1.00 0.00 H new ATOM 0 HG2 MET A 59 -8.326 -5.674 -6.606 1.00 0.00 H new ATOM 0 HG3 MET A 59 -8.090 -5.423 -8.324 1.00 0.00 H new ATOM 0 HE1 MET A 59 -8.267 -9.506 -6.167 1.00 0.00 H new ATOM 0 HE2 MET A 59 -6.903 -8.398 -5.891 1.00 0.00 H new ATOM 0 HE3 MET A 59 -8.551 -7.911 -5.430 1.00 0.00 H new ATOM 853 N SER A 60 -3.480 -5.606 -5.918 1.00 0.00 N ATOM 854 CA SER A 60 -2.080 -6.007 -5.843 1.00 0.00 C ATOM 855 C SER A 60 -1.183 -4.802 -5.571 1.00 0.00 C ATOM 856 O SER A 60 -1.635 -3.658 -5.612 1.00 0.00 O ATOM 857 CB SER A 60 -1.653 -6.691 -7.143 1.00 0.00 C ATOM 858 OG SER A 60 -1.983 -5.898 -8.269 1.00 0.00 O ATOM 0 H SER A 60 -3.626 -4.634 -6.192 1.00 0.00 H new ATOM 0 HA SER A 60 -1.973 -6.711 -5.018 1.00 0.00 H new ATOM 0 HB2 SER A 60 -0.579 -6.874 -7.125 1.00 0.00 H new ATOM 0 HB3 SER A 60 -2.140 -7.663 -7.223 1.00 0.00 H new ATOM 0 HG SER A 60 -1.698 -6.357 -9.087 1.00 0.00 H new ATOM 864 N ILE A 61 0.088 -5.070 -5.294 1.00 0.00 N ATOM 865 CA ILE A 61 1.048 -4.009 -5.016 1.00 0.00 C ATOM 866 C ILE A 61 2.315 -4.182 -5.848 1.00 0.00 C ATOM 867 O ILE A 61 3.185 -4.983 -5.512 1.00 0.00 O ATOM 868 CB ILE A 61 1.429 -3.970 -3.524 1.00 0.00 C ATOM 869 CG1 ILE A 61 0.266 -3.426 -2.693 1.00 0.00 C ATOM 870 CG2 ILE A 61 2.677 -3.125 -3.318 1.00 0.00 C ATOM 871 CD1 ILE A 61 0.419 -3.669 -1.207 1.00 0.00 C ATOM 0 H ILE A 61 0.477 -6.012 -5.256 1.00 0.00 H new ATOM 0 HA ILE A 61 0.565 -3.069 -5.284 1.00 0.00 H new ATOM 0 HB ILE A 61 1.644 -4.986 -3.192 1.00 0.00 H new ATOM 0 HG12 ILE A 61 0.174 -2.354 -2.870 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -0.661 -3.887 -3.035 1.00 0.00 H new ATOM 0 HG21 ILE A 61 2.934 -3.107 -2.259 1.00 0.00 H new ATOM 0 HG22 ILE A 61 3.504 -3.553 -3.884 1.00 0.00 H new ATOM 0 HG23 ILE A 61 2.489 -2.108 -3.663 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -0.442 -3.257 -0.680 1.00 0.00 H new ATOM 0 HD12 ILE A 61 0.481 -4.741 -1.018 1.00 0.00 H new ATOM 0 HD13 ILE A 61 1.328 -3.185 -0.851 1.00 0.00 H new ATOM 883 N ASN A 62 2.410 -3.424 -6.935 1.00 0.00 N ATOM 884 CA ASN A 62 3.571 -3.492 -7.815 1.00 0.00 C ATOM 885 C ASN A 62 3.701 -4.879 -8.438 1.00 0.00 C ATOM 886 O ASN A 62 4.795 -5.308 -8.801 1.00 0.00 O ATOM 887 CB ASN A 62 4.845 -3.147 -7.041 1.00 0.00 C ATOM 888 CG ASN A 62 5.090 -1.652 -6.968 1.00 0.00 C ATOM 889 OD1 ASN A 62 4.649 -0.896 -7.834 1.00 0.00 O ATOM 890 ND2 ASN A 62 5.796 -1.219 -5.931 1.00 0.00 N ATOM 0 H ASN A 62 1.697 -2.756 -7.228 1.00 0.00 H new ATOM 0 HA ASN A 62 3.432 -2.765 -8.615 1.00 0.00 H new ATOM 0 HB2 ASN A 62 4.774 -3.551 -6.031 1.00 0.00 H new ATOM 0 HB3 ASN A 62 5.698 -3.629 -7.518 1.00 0.00 H new ATOM 0 HD21 ASN A 62 5.993 -0.223 -5.828 1.00 0.00 H new ATOM 0 HD22 ASN A 62 6.142 -1.882 -5.237 1.00 0.00 H new ATOM 897 N GLY A 63 2.574 -5.575 -8.559 1.00 0.00 N ATOM 898 CA GLY A 63 2.583 -6.906 -9.138 1.00 0.00 C ATOM 899 C GLY A 63 2.492 -7.996 -8.088 1.00 0.00 C ATOM 900 O GLY A 63 2.666 -9.177 -8.391 1.00 0.00 O ATOM 0 H GLY A 63 1.656 -5.241 -8.267 1.00 0.00 H new ATOM 0 HA2 GLY A 63 1.747 -7.003 -9.831 1.00 0.00 H new ATOM 0 HA3 GLY A 63 3.496 -7.040 -9.718 1.00 0.00 H new ATOM 904 N THR A 64 2.220 -7.600 -6.849 1.00 0.00 N ATOM 905 CA THR A 64 2.110 -8.551 -5.750 1.00 0.00 C ATOM 906 C THR A 64 0.652 -8.783 -5.368 1.00 0.00 C ATOM 907 O THR A 64 0.008 -7.912 -4.783 1.00 0.00 O ATOM 908 CB THR A 64 2.884 -8.068 -4.509 1.00 0.00 C ATOM 909 OG1 THR A 64 4.271 -7.915 -4.826 1.00 0.00 O ATOM 910 CG2 THR A 64 2.727 -9.050 -3.358 1.00 0.00 C ATOM 0 H THR A 64 2.072 -6.627 -6.581 1.00 0.00 H new ATOM 0 HA THR A 64 2.545 -9.488 -6.098 1.00 0.00 H new ATOM 0 HB THR A 64 2.473 -7.106 -4.203 1.00 0.00 H new ATOM 0 HG1 THR A 64 4.756 -7.606 -4.032 1.00 0.00 H new ATOM 0 HG21 THR A 64 3.282 -8.688 -2.493 1.00 0.00 H new ATOM 0 HG22 THR A 64 1.672 -9.142 -3.100 1.00 0.00 H new ATOM 0 HG23 THR A 64 3.114 -10.024 -3.656 1.00 0.00 H new ATOM 918 N SER A 65 0.138 -9.962 -5.702 1.00 0.00 N ATOM 919 CA SER A 65 -1.246 -10.306 -5.396 1.00 0.00 C ATOM 920 C SER A 65 -1.462 -10.398 -3.889 1.00 0.00 C ATOM 921 O SER A 65 -0.707 -11.066 -3.181 1.00 0.00 O ATOM 922 CB SER A 65 -1.621 -11.633 -6.058 1.00 0.00 C ATOM 923 OG SER A 65 -1.240 -11.648 -7.423 1.00 0.00 O ATOM 0 H SER A 65 0.658 -10.695 -6.184 1.00 0.00 H new ATOM 0 HA SER A 65 -1.887 -9.517 -5.790 1.00 0.00 H new ATOM 0 HB2 SER A 65 -1.135 -12.455 -5.533 1.00 0.00 H new ATOM 0 HB3 SER A 65 -2.696 -11.793 -5.976 1.00 0.00 H new ATOM 0 HG SER A 65 -1.489 -12.507 -7.823 1.00 0.00 H new ATOM 929 N LEU A 66 -2.499 -9.723 -3.404 1.00 0.00 N ATOM 930 CA LEU A 66 -2.816 -9.727 -1.980 1.00 0.00 C ATOM 931 C LEU A 66 -3.945 -10.707 -1.677 1.00 0.00 C ATOM 932 O LEU A 66 -3.994 -11.301 -0.600 1.00 0.00 O ATOM 933 CB LEU A 66 -3.209 -8.322 -1.521 1.00 0.00 C ATOM 934 CG LEU A 66 -2.305 -7.184 -1.997 1.00 0.00 C ATOM 935 CD1 LEU A 66 -2.853 -5.841 -1.540 1.00 0.00 C ATOM 936 CD2 LEU A 66 -0.885 -7.383 -1.489 1.00 0.00 C ATOM 0 H LEU A 66 -3.134 -9.166 -3.976 1.00 0.00 H new ATOM 0 HA LEU A 66 -1.927 -10.045 -1.436 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -4.224 -8.120 -1.863 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -3.231 -8.310 -0.431 1.00 0.00 H new ATOM 0 HG LEU A 66 -2.284 -7.193 -3.087 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -2.197 -5.043 -1.888 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -3.851 -5.696 -1.953 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -2.904 -5.820 -0.451 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -0.256 -6.564 -1.837 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -0.888 -7.400 -0.399 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -0.493 -8.328 -1.866 1.00 0.00 H new ATOM 948 N VAL A 67 -4.851 -10.874 -2.636 1.00 0.00 N ATOM 949 CA VAL A 67 -5.978 -11.784 -2.473 1.00 0.00 C ATOM 950 C VAL A 67 -5.577 -13.016 -1.670 1.00 0.00 C ATOM 951 O VAL A 67 -4.671 -13.754 -2.055 1.00 0.00 O ATOM 952 CB VAL A 67 -6.538 -12.234 -3.836 1.00 0.00 C ATOM 953 CG1 VAL A 67 -5.405 -12.518 -4.811 1.00 0.00 C ATOM 954 CG2 VAL A 67 -7.428 -13.456 -3.669 1.00 0.00 C ATOM 0 H VAL A 67 -4.826 -10.391 -3.534 1.00 0.00 H new ATOM 0 HA VAL A 67 -6.751 -11.237 -1.933 1.00 0.00 H new ATOM 0 HB VAL A 67 -7.144 -11.426 -4.246 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -5.819 -12.835 -5.768 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -4.812 -11.614 -4.953 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -4.770 -13.309 -4.411 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -7.815 -13.760 -4.642 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -6.848 -14.272 -3.238 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -8.260 -13.213 -3.008 1.00 0.00 H new ATOM 964 N GLY A 68 -6.260 -13.233 -0.549 1.00 0.00 N ATOM 965 CA GLY A 68 -5.962 -14.378 0.291 1.00 0.00 C ATOM 966 C GLY A 68 -5.030 -14.029 1.435 1.00 0.00 C ATOM 967 O GLY A 68 -5.225 -14.481 2.564 1.00 0.00 O ATOM 0 H GLY A 68 -7.014 -12.636 -0.208 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -6.891 -14.782 0.693 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -5.510 -15.163 -0.316 1.00 0.00 H new ATOM 971 N LEU A 69 -4.013 -13.225 1.144 1.00 0.00 N ATOM 972 CA LEU A 69 -3.046 -12.817 2.157 1.00 0.00 C ATOM 973 C LEU A 69 -3.742 -12.144 3.335 1.00 0.00 C ATOM 974 O LEU A 69 -4.713 -11.404 3.173 1.00 0.00 O ATOM 975 CB LEU A 69 -2.012 -11.867 1.549 1.00 0.00 C ATOM 976 CG LEU A 69 -1.029 -12.491 0.558 1.00 0.00 C ATOM 977 CD1 LEU A 69 0.031 -11.479 0.150 1.00 0.00 C ATOM 978 CD2 LEU A 69 -0.382 -13.731 1.156 1.00 0.00 C ATOM 0 H LEU A 69 -3.837 -12.843 0.215 1.00 0.00 H new ATOM 0 HA LEU A 69 -2.539 -13.711 2.522 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -2.542 -11.059 1.044 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -1.441 -11.415 2.361 1.00 0.00 H new ATOM 0 HG LEU A 69 -1.581 -12.789 -0.333 1.00 0.00 H new ATOM 0 HD11 LEU A 69 0.722 -11.940 -0.556 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -0.448 -10.620 -0.320 1.00 0.00 H new ATOM 0 HD13 LEU A 69 0.579 -11.151 1.033 1.00 0.00 H new ATOM 0 HD21 LEU A 69 0.314 -14.161 0.436 1.00 0.00 H new ATOM 0 HD22 LEU A 69 0.157 -13.459 2.064 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -1.153 -14.463 1.397 1.00 0.00 H new ATOM 990 N PRO A 70 -3.235 -12.403 4.549 1.00 0.00 N ATOM 991 CA PRO A 70 -3.791 -11.829 5.778 1.00 0.00 C ATOM 992 C PRO A 70 -3.537 -10.329 5.884 1.00 0.00 C ATOM 993 O PRO A 70 -2.598 -9.804 5.284 1.00 0.00 O ATOM 994 CB PRO A 70 -3.047 -12.577 6.887 1.00 0.00 C ATOM 995 CG PRO A 70 -1.764 -13.004 6.261 1.00 0.00 C ATOM 996 CD PRO A 70 -2.079 -13.275 4.816 1.00 0.00 C ATOM 0 HA PRO A 70 -4.875 -11.938 5.825 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -2.872 -11.934 7.750 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -3.620 -13.434 7.240 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -1.006 -12.227 6.356 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -1.370 -13.896 6.748 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -1.236 -13.034 4.169 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -2.320 -14.325 4.647 1.00 0.00 H new ATOM 1004 N LEU A 71 -4.378 -9.644 6.651 1.00 0.00 N ATOM 1005 CA LEU A 71 -4.245 -8.203 6.836 1.00 0.00 C ATOM 1006 C LEU A 71 -2.862 -7.849 7.373 1.00 0.00 C ATOM 1007 O LEU A 71 -2.306 -6.802 7.042 1.00 0.00 O ATOM 1008 CB LEU A 71 -5.322 -7.690 7.793 1.00 0.00 C ATOM 1009 CG LEU A 71 -5.126 -6.270 8.326 1.00 0.00 C ATOM 1010 CD1 LEU A 71 -5.151 -5.264 7.186 1.00 0.00 C ATOM 1011 CD2 LEU A 71 -6.191 -5.936 9.359 1.00 0.00 C ATOM 0 H LEU A 71 -5.159 -10.063 7.155 1.00 0.00 H new ATOM 0 HA LEU A 71 -4.372 -7.724 5.865 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -6.284 -7.735 7.283 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -5.379 -8.371 8.642 1.00 0.00 H new ATOM 0 HG LEU A 71 -4.151 -6.215 8.810 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -5.010 -4.259 7.584 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -4.350 -5.491 6.483 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -6.111 -5.319 6.673 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -6.036 -4.922 9.727 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -7.177 -6.009 8.901 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -6.124 -6.638 10.190 1.00 0.00 H new ATOM 1023 N SER A 72 -2.310 -8.731 8.200 1.00 0.00 N ATOM 1024 CA SER A 72 -0.992 -8.511 8.784 1.00 0.00 C ATOM 1025 C SER A 72 0.093 -8.575 7.714 1.00 0.00 C ATOM 1026 O SER A 72 1.016 -7.759 7.698 1.00 0.00 O ATOM 1027 CB SER A 72 -0.713 -9.549 9.873 1.00 0.00 C ATOM 1028 OG SER A 72 -0.633 -10.854 9.325 1.00 0.00 O ATOM 0 H SER A 72 -2.755 -9.605 8.481 1.00 0.00 H new ATOM 0 HA SER A 72 -0.980 -7.516 9.230 1.00 0.00 H new ATOM 0 HB2 SER A 72 0.221 -9.306 10.380 1.00 0.00 H new ATOM 0 HB3 SER A 72 -1.502 -9.514 10.624 1.00 0.00 H new ATOM 0 HG SER A 72 -0.452 -11.499 10.041 1.00 0.00 H new ATOM 1034 N THR A 73 -0.023 -9.552 6.820 1.00 0.00 N ATOM 1035 CA THR A 73 0.948 -9.725 5.747 1.00 0.00 C ATOM 1036 C THR A 73 0.865 -8.582 4.741 1.00 0.00 C ATOM 1037 O THR A 73 1.851 -7.886 4.495 1.00 0.00 O ATOM 1038 CB THR A 73 0.737 -11.060 5.008 1.00 0.00 C ATOM 1039 OG1 THR A 73 1.159 -12.150 5.836 1.00 0.00 O ATOM 1040 CG2 THR A 73 1.510 -11.082 3.698 1.00 0.00 C ATOM 0 H THR A 73 -0.780 -10.236 6.818 1.00 0.00 H new ATOM 0 HA THR A 73 1.934 -9.727 6.211 1.00 0.00 H new ATOM 0 HB THR A 73 -0.325 -11.163 4.786 1.00 0.00 H new ATOM 0 HG1 THR A 73 1.034 -11.912 6.778 1.00 0.00 H new ATOM 0 HG21 THR A 73 1.345 -12.035 3.194 1.00 0.00 H new ATOM 0 HG22 THR A 73 1.166 -10.269 3.059 1.00 0.00 H new ATOM 0 HG23 THR A 73 2.574 -10.958 3.901 1.00 0.00 H new ATOM 1048 N CYS A 74 -0.316 -8.394 4.163 1.00 0.00 N ATOM 1049 CA CYS A 74 -0.527 -7.335 3.183 1.00 0.00 C ATOM 1050 C CYS A 74 0.067 -6.017 3.669 1.00 0.00 C ATOM 1051 O CYS A 74 0.646 -5.261 2.890 1.00 0.00 O ATOM 1052 CB CYS A 74 -2.020 -7.161 2.902 1.00 0.00 C ATOM 1053 SG CYS A 74 -2.837 -8.659 2.303 1.00 0.00 S ATOM 0 H CYS A 74 -1.142 -8.961 4.356 1.00 0.00 H new ATOM 0 HA CYS A 74 -0.022 -7.623 2.261 1.00 0.00 H new ATOM 0 HB2 CYS A 74 -2.515 -6.830 3.815 1.00 0.00 H new ATOM 0 HB3 CYS A 74 -2.150 -6.369 2.164 1.00 0.00 H new ATOM 0 HG CYS A 74 -2.984 -9.496 3.287 1.00 0.00 H new ATOM 1059 N GLN A 75 -0.081 -5.749 4.963 1.00 0.00 N ATOM 1060 CA GLN A 75 0.439 -4.521 5.552 1.00 0.00 C ATOM 1061 C GLN A 75 1.953 -4.437 5.388 1.00 0.00 C ATOM 1062 O GLN A 75 2.484 -3.417 4.948 1.00 0.00 O ATOM 1063 CB GLN A 75 0.071 -4.446 7.035 1.00 0.00 C ATOM 1064 CG GLN A 75 -1.332 -3.917 7.288 1.00 0.00 C ATOM 1065 CD GLN A 75 -1.733 -4.000 8.747 1.00 0.00 C ATOM 1066 OE1 GLN A 75 -1.111 -4.715 9.534 1.00 0.00 O ATOM 1067 NE2 GLN A 75 -2.776 -3.267 9.117 1.00 0.00 N ATOM 0 H GLN A 75 -0.556 -6.365 5.622 1.00 0.00 H new ATOM 0 HA GLN A 75 -0.013 -3.678 5.029 1.00 0.00 H new ATOM 0 HB2 GLN A 75 0.160 -5.440 7.474 1.00 0.00 H new ATOM 0 HB3 GLN A 75 0.789 -3.806 7.547 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -1.390 -2.880 6.958 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -2.043 -4.483 6.687 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -3.262 -2.689 8.431 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -3.091 -3.282 10.087 1.00 0.00 H new ATOM 1076 N SER A 76 2.643 -5.516 5.744 1.00 0.00 N ATOM 1077 CA SER A 76 4.097 -5.563 5.639 1.00 0.00 C ATOM 1078 C SER A 76 4.553 -5.173 4.237 1.00 0.00 C ATOM 1079 O SER A 76 5.459 -4.354 4.073 1.00 0.00 O ATOM 1080 CB SER A 76 4.609 -6.963 5.984 1.00 0.00 C ATOM 1081 OG SER A 76 5.921 -6.909 6.517 1.00 0.00 O ATOM 0 H SER A 76 2.219 -6.369 6.108 1.00 0.00 H new ATOM 0 HA SER A 76 4.512 -4.847 6.349 1.00 0.00 H new ATOM 0 HB2 SER A 76 3.939 -7.431 6.705 1.00 0.00 H new ATOM 0 HB3 SER A 76 4.602 -7.587 5.090 1.00 0.00 H new ATOM 0 HG SER A 76 6.225 -7.816 6.731 1.00 0.00 H new ATOM 1087 N ILE A 77 3.921 -5.764 3.229 1.00 0.00 N ATOM 1088 CA ILE A 77 4.260 -5.478 1.841 1.00 0.00 C ATOM 1089 C ILE A 77 4.159 -3.985 1.547 1.00 0.00 C ATOM 1090 O ILE A 77 4.869 -3.463 0.687 1.00 0.00 O ATOM 1091 CB ILE A 77 3.345 -6.245 0.868 1.00 0.00 C ATOM 1092 CG1 ILE A 77 3.459 -7.752 1.107 1.00 0.00 C ATOM 1093 CG2 ILE A 77 3.698 -5.903 -0.572 1.00 0.00 C ATOM 1094 CD1 ILE A 77 2.266 -8.535 0.605 1.00 0.00 C ATOM 0 H ILE A 77 3.171 -6.445 3.348 1.00 0.00 H new ATOM 0 HA ILE A 77 5.289 -5.806 1.693 1.00 0.00 H new ATOM 0 HB ILE A 77 2.313 -5.945 1.050 1.00 0.00 H new ATOM 0 HG12 ILE A 77 4.359 -8.122 0.616 1.00 0.00 H new ATOM 0 HG13 ILE A 77 3.580 -7.934 2.175 1.00 0.00 H new ATOM 0 HG21 ILE A 77 3.043 -6.453 -1.248 1.00 0.00 H new ATOM 0 HG22 ILE A 77 3.570 -4.833 -0.734 1.00 0.00 H new ATOM 0 HG23 ILE A 77 4.734 -6.178 -0.768 1.00 0.00 H new ATOM 0 HD11 ILE A 77 2.415 -9.596 0.808 1.00 0.00 H new ATOM 0 HD12 ILE A 77 1.365 -8.192 1.114 1.00 0.00 H new ATOM 0 HD13 ILE A 77 2.157 -8.383 -0.469 1.00 0.00 H new ATOM 1106 N ILE A 78 3.275 -3.304 2.267 1.00 0.00 N ATOM 1107 CA ILE A 78 3.083 -1.871 2.085 1.00 0.00 C ATOM 1108 C ILE A 78 4.137 -1.074 2.848 1.00 0.00 C ATOM 1109 O ILE A 78 4.388 0.092 2.546 1.00 0.00 O ATOM 1110 CB ILE A 78 1.684 -1.426 2.550 1.00 0.00 C ATOM 1111 CG1 ILE A 78 0.607 -2.028 1.645 1.00 0.00 C ATOM 1112 CG2 ILE A 78 1.587 0.092 2.561 1.00 0.00 C ATOM 1113 CD1 ILE A 78 -0.719 -2.237 2.342 1.00 0.00 C ATOM 0 H ILE A 78 2.680 -3.722 2.982 1.00 0.00 H new ATOM 0 HA ILE A 78 3.182 -1.673 1.018 1.00 0.00 H new ATOM 0 HB ILE A 78 1.523 -1.788 3.566 1.00 0.00 H new ATOM 0 HG12 ILE A 78 0.458 -1.374 0.786 1.00 0.00 H new ATOM 0 HG13 ILE A 78 0.961 -2.984 1.259 1.00 0.00 H new ATOM 0 HG21 ILE A 78 0.592 0.391 2.892 1.00 0.00 H new ATOM 0 HG22 ILE A 78 2.334 0.499 3.243 1.00 0.00 H new ATOM 0 HG23 ILE A 78 1.765 0.475 1.556 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -1.435 -2.666 1.641 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -0.584 -2.916 3.184 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -1.095 -1.280 2.704 1.00 0.00 H new ATOM 1125 N LYS A 79 4.752 -1.713 3.837 1.00 0.00 N ATOM 1126 CA LYS A 79 5.782 -1.067 4.642 1.00 0.00 C ATOM 1127 C LYS A 79 7.093 -0.965 3.868 1.00 0.00 C ATOM 1128 O LYS A 79 7.918 -0.093 4.138 1.00 0.00 O ATOM 1129 CB LYS A 79 6.004 -1.843 5.942 1.00 0.00 C ATOM 1130 CG LYS A 79 4.944 -1.577 6.997 1.00 0.00 C ATOM 1131 CD LYS A 79 5.012 -2.594 8.124 1.00 0.00 C ATOM 1132 CE LYS A 79 3.651 -2.800 8.771 1.00 0.00 C ATOM 1133 NZ LYS A 79 3.400 -1.817 9.861 1.00 0.00 N ATOM 0 H LYS A 79 4.555 -2.678 4.101 1.00 0.00 H new ATOM 0 HA LYS A 79 5.442 -0.059 4.881 1.00 0.00 H new ATOM 0 HB2 LYS A 79 6.024 -2.910 5.720 1.00 0.00 H new ATOM 0 HB3 LYS A 79 6.982 -1.584 6.348 1.00 0.00 H new ATOM 0 HG2 LYS A 79 5.076 -0.574 7.402 1.00 0.00 H new ATOM 0 HG3 LYS A 79 3.956 -1.607 6.537 1.00 0.00 H new ATOM 0 HD2 LYS A 79 5.379 -3.544 7.736 1.00 0.00 H new ATOM 0 HD3 LYS A 79 5.727 -2.259 8.876 1.00 0.00 H new ATOM 0 HE2 LYS A 79 2.872 -2.710 8.014 1.00 0.00 H new ATOM 0 HE3 LYS A 79 3.589 -3.811 9.173 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 2.462 -1.991 10.276 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 4.129 -1.920 10.596 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 3.433 -0.853 9.473 1.00 0.00 H new ATOM 1147 N GLY A 80 7.278 -1.862 2.904 1.00 0.00 N ATOM 1148 CA GLY A 80 8.490 -1.854 2.106 1.00 0.00 C ATOM 1149 C GLY A 80 8.423 -0.862 0.961 1.00 0.00 C ATOM 1150 O GLY A 80 9.119 -1.016 -0.044 1.00 0.00 O ATOM 0 H GLY A 80 6.610 -2.594 2.662 1.00 0.00 H new ATOM 0 HA2 GLY A 80 9.340 -1.611 2.744 1.00 0.00 H new ATOM 0 HA3 GLY A 80 8.666 -2.853 1.707 1.00 0.00 H new ATOM 1154 N LEU A 81 7.584 0.156 1.111 1.00 0.00 N ATOM 1155 CA LEU A 81 7.428 1.177 0.080 1.00 0.00 C ATOM 1156 C LEU A 81 8.026 2.504 0.532 1.00 0.00 C ATOM 1157 O LEU A 81 8.063 3.473 -0.227 1.00 0.00 O ATOM 1158 CB LEU A 81 5.948 1.361 -0.263 1.00 0.00 C ATOM 1159 CG LEU A 81 5.136 0.079 -0.444 1.00 0.00 C ATOM 1160 CD1 LEU A 81 3.729 0.401 -0.924 1.00 0.00 C ATOM 1161 CD2 LEU A 81 5.832 -0.860 -1.418 1.00 0.00 C ATOM 0 H LEU A 81 7.001 0.297 1.936 1.00 0.00 H new ATOM 0 HA LEU A 81 7.962 0.844 -0.810 1.00 0.00 H new ATOM 0 HB2 LEU A 81 5.484 1.953 0.526 1.00 0.00 H new ATOM 0 HB3 LEU A 81 5.878 1.944 -1.181 1.00 0.00 H new ATOM 0 HG LEU A 81 5.062 -0.421 0.522 1.00 0.00 H new ATOM 0 HD11 LEU A 81 3.166 -0.524 -1.047 1.00 0.00 H new ATOM 0 HD12 LEU A 81 3.230 1.034 -0.190 1.00 0.00 H new ATOM 0 HD13 LEU A 81 3.781 0.924 -1.879 1.00 0.00 H new ATOM 0 HD21 LEU A 81 5.240 -1.768 -1.535 1.00 0.00 H new ATOM 0 HD22 LEU A 81 5.937 -0.368 -2.385 1.00 0.00 H new ATOM 0 HD23 LEU A 81 6.819 -1.118 -1.033 1.00 0.00 H new ATOM 1173 N LYS A 82 8.497 2.542 1.775 1.00 0.00 N ATOM 1174 CA LYS A 82 9.098 3.750 2.329 1.00 0.00 C ATOM 1175 C LYS A 82 10.287 4.201 1.488 1.00 0.00 C ATOM 1176 O LYS A 82 10.449 5.389 1.211 1.00 0.00 O ATOM 1177 CB LYS A 82 9.544 3.505 3.772 1.00 0.00 C ATOM 1178 CG LYS A 82 10.463 4.585 4.316 1.00 0.00 C ATOM 1179 CD LYS A 82 10.928 4.264 5.726 1.00 0.00 C ATOM 1180 CE LYS A 82 9.970 4.819 6.769 1.00 0.00 C ATOM 1181 NZ LYS A 82 10.349 4.403 8.148 1.00 0.00 N ATOM 0 H LYS A 82 8.474 1.750 2.417 1.00 0.00 H new ATOM 0 HA LYS A 82 8.346 4.539 2.316 1.00 0.00 H new ATOM 0 HB2 LYS A 82 8.662 3.435 4.409 1.00 0.00 H new ATOM 0 HB3 LYS A 82 10.054 2.543 3.827 1.00 0.00 H new ATOM 0 HG2 LYS A 82 11.328 4.691 3.662 1.00 0.00 H new ATOM 0 HG3 LYS A 82 9.942 5.543 4.313 1.00 0.00 H new ATOM 0 HD2 LYS A 82 11.012 3.184 5.846 1.00 0.00 H new ATOM 0 HD3 LYS A 82 11.923 4.680 5.886 1.00 0.00 H new ATOM 0 HE2 LYS A 82 9.958 5.907 6.708 1.00 0.00 H new ATOM 0 HE3 LYS A 82 8.958 4.476 6.552 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 9.672 4.801 8.829 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 10.336 3.365 8.213 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 11.304 4.752 8.365 1.00 0.00 H new ATOM 1195 N ASN A 83 11.116 3.245 1.082 1.00 0.00 N ATOM 1196 CA ASN A 83 12.291 3.545 0.271 1.00 0.00 C ATOM 1197 C ASN A 83 11.925 3.619 -1.209 1.00 0.00 C ATOM 1198 O ASN A 83 12.797 3.755 -2.067 1.00 0.00 O ATOM 1199 CB ASN A 83 13.371 2.484 0.488 1.00 0.00 C ATOM 1200 CG ASN A 83 14.764 3.007 0.194 1.00 0.00 C ATOM 1201 OD1 ASN A 83 14.945 4.188 -0.104 1.00 0.00 O ATOM 1202 ND2 ASN A 83 15.756 2.129 0.277 1.00 0.00 N ATOM 0 H ASN A 83 10.996 2.256 1.301 1.00 0.00 H new ATOM 0 HA ASN A 83 12.678 4.516 0.581 1.00 0.00 H new ATOM 0 HB2 ASN A 83 13.328 2.132 1.519 1.00 0.00 H new ATOM 0 HB3 ASN A 83 13.166 1.625 -0.151 1.00 0.00 H new ATOM 0 HD21 ASN A 83 16.715 2.423 0.090 1.00 0.00 H new ATOM 0 HD22 ASN A 83 15.560 1.160 0.527 1.00 0.00 H new ATOM 1209 N GLN A 84 10.631 3.528 -1.498 1.00 0.00 N ATOM 1210 CA GLN A 84 10.151 3.585 -2.874 1.00 0.00 C ATOM 1211 C GLN A 84 9.373 4.872 -3.126 1.00 0.00 C ATOM 1212 O GLN A 84 8.251 5.035 -2.648 1.00 0.00 O ATOM 1213 CB GLN A 84 9.268 2.373 -3.179 1.00 0.00 C ATOM 1214 CG GLN A 84 9.883 1.050 -2.751 1.00 0.00 C ATOM 1215 CD GLN A 84 9.259 -0.138 -3.457 1.00 0.00 C ATOM 1216 OE1 GLN A 84 9.166 -0.060 -4.779 1.00 0.00 O flip ATOM 1217 NE2 GLN A 84 8.864 -1.115 -2.820 1.00 0.00 N flip ATOM 0 H GLN A 84 9.897 3.415 -0.799 1.00 0.00 H new ATOM 0 HA GLN A 84 11.017 3.570 -3.535 1.00 0.00 H new ATOM 0 HB2 GLN A 84 8.308 2.497 -2.677 1.00 0.00 H new ATOM 0 HB3 GLN A 84 9.066 2.341 -4.250 1.00 0.00 H new ATOM 0 HG2 GLN A 84 10.954 1.068 -2.955 1.00 0.00 H new ATOM 0 HG3 GLN A 84 9.766 0.931 -1.674 1.00 0.00 H new ATOM 0 HE21 GLN A 84 8.955 -1.132 -1.804 1.00 0.00 H new ATOM 0 HE22 GLN A 84 8.445 -1.907 -3.308 1.00 0.00 H new ATOM 1226 N SER A 85 9.978 5.785 -3.881 1.00 0.00 N ATOM 1227 CA SER A 85 9.343 7.060 -4.193 1.00 0.00 C ATOM 1228 C SER A 85 8.033 6.845 -4.946 1.00 0.00 C ATOM 1229 O SER A 85 6.963 7.225 -4.471 1.00 0.00 O ATOM 1230 CB SER A 85 10.285 7.932 -5.026 1.00 0.00 C ATOM 1231 OG SER A 85 10.668 7.273 -6.220 1.00 0.00 O ATOM 0 H SER A 85 10.906 5.665 -4.287 1.00 0.00 H new ATOM 0 HA SER A 85 9.123 7.568 -3.254 1.00 0.00 H new ATOM 0 HB2 SER A 85 9.794 8.874 -5.269 1.00 0.00 H new ATOM 0 HB3 SER A 85 11.172 8.176 -4.441 1.00 0.00 H new ATOM 0 HG SER A 85 11.268 7.852 -6.735 1.00 0.00 H new ATOM 1237 N ARG A 86 8.127 6.233 -6.121 1.00 0.00 N ATOM 1238 CA ARG A 86 6.951 5.968 -6.941 1.00 0.00 C ATOM 1239 C ARG A 86 6.564 4.493 -6.876 1.00 0.00 C ATOM 1240 O ARG A 86 7.287 3.628 -7.371 1.00 0.00 O ATOM 1241 CB ARG A 86 7.212 6.374 -8.392 1.00 0.00 C ATOM 1242 CG ARG A 86 6.067 6.040 -9.334 1.00 0.00 C ATOM 1243 CD ARG A 86 6.082 6.929 -10.568 1.00 0.00 C ATOM 1244 NE ARG A 86 5.125 6.482 -11.576 1.00 0.00 N ATOM 1245 CZ ARG A 86 4.738 7.229 -12.604 1.00 0.00 C ATOM 1246 NH1 ARG A 86 5.224 8.453 -12.758 1.00 0.00 N ATOM 1247 NH2 ARG A 86 3.863 6.752 -13.481 1.00 0.00 N ATOM 0 H ARG A 86 9.006 5.911 -6.527 1.00 0.00 H new ATOM 0 HA ARG A 86 6.125 6.561 -6.548 1.00 0.00 H new ATOM 0 HB2 ARG A 86 7.403 7.446 -8.431 1.00 0.00 H new ATOM 0 HB3 ARG A 86 8.116 5.876 -8.742 1.00 0.00 H new ATOM 0 HG2 ARG A 86 6.136 4.995 -9.636 1.00 0.00 H new ATOM 0 HG3 ARG A 86 5.118 6.158 -8.811 1.00 0.00 H new ATOM 0 HD2 ARG A 86 5.852 7.954 -10.279 1.00 0.00 H new ATOM 0 HD3 ARG A 86 7.084 6.936 -10.997 1.00 0.00 H new ATOM 0 HE ARG A 86 4.732 5.545 -11.486 1.00 0.00 H new ATOM 0 HH11 ARG A 86 5.897 8.823 -12.086 1.00 0.00 H new ATOM 0 HH12 ARG A 86 4.925 9.025 -13.548 1.00 0.00 H new ATOM 0 HH21 ARG A 86 3.487 5.811 -13.366 1.00 0.00 H new ATOM 0 HH22 ARG A 86 3.567 7.327 -14.270 1.00 0.00 H new ATOM 1261 N VAL A 87 5.419 4.213 -6.261 1.00 0.00 N ATOM 1262 CA VAL A 87 4.935 2.844 -6.132 1.00 0.00 C ATOM 1263 C VAL A 87 3.644 2.641 -6.916 1.00 0.00 C ATOM 1264 O VAL A 87 2.766 3.504 -6.923 1.00 0.00 O ATOM 1265 CB VAL A 87 4.691 2.472 -4.657 1.00 0.00 C ATOM 1266 CG1 VAL A 87 4.527 0.968 -4.506 1.00 0.00 C ATOM 1267 CG2 VAL A 87 5.827 2.983 -3.784 1.00 0.00 C ATOM 0 H VAL A 87 4.809 4.917 -5.844 1.00 0.00 H new ATOM 0 HA VAL A 87 5.710 2.195 -6.540 1.00 0.00 H new ATOM 0 HB VAL A 87 3.768 2.949 -4.328 1.00 0.00 H new ATOM 0 HG11 VAL A 87 4.356 0.724 -3.458 1.00 0.00 H new ATOM 0 HG12 VAL A 87 3.677 0.633 -5.100 1.00 0.00 H new ATOM 0 HG13 VAL A 87 5.431 0.467 -4.852 1.00 0.00 H new ATOM 0 HG21 VAL A 87 5.638 2.711 -2.745 1.00 0.00 H new ATOM 0 HG22 VAL A 87 6.766 2.537 -4.111 1.00 0.00 H new ATOM 0 HG23 VAL A 87 5.892 4.068 -3.869 1.00 0.00 H new ATOM 1277 N LYS A 88 3.534 1.493 -7.577 1.00 0.00 N ATOM 1278 CA LYS A 88 2.349 1.173 -8.364 1.00 0.00 C ATOM 1279 C LYS A 88 1.457 0.181 -7.626 1.00 0.00 C ATOM 1280 O LYS A 88 1.911 -0.885 -7.207 1.00 0.00 O ATOM 1281 CB LYS A 88 2.755 0.598 -9.723 1.00 0.00 C ATOM 1282 CG LYS A 88 1.577 0.143 -10.567 1.00 0.00 C ATOM 1283 CD LYS A 88 2.029 -0.698 -11.749 1.00 0.00 C ATOM 1284 CE LYS A 88 0.950 -1.680 -12.180 1.00 0.00 C ATOM 1285 NZ LYS A 88 0.045 -1.093 -13.207 1.00 0.00 N ATOM 0 H LYS A 88 4.252 0.768 -7.583 1.00 0.00 H new ATOM 0 HA LYS A 88 1.787 2.094 -8.519 1.00 0.00 H new ATOM 0 HB2 LYS A 88 3.316 1.352 -10.274 1.00 0.00 H new ATOM 0 HB3 LYS A 88 3.426 -0.246 -9.565 1.00 0.00 H new ATOM 0 HG2 LYS A 88 0.888 -0.435 -9.951 1.00 0.00 H new ATOM 0 HG3 LYS A 88 1.029 1.013 -10.927 1.00 0.00 H new ATOM 0 HD2 LYS A 88 2.284 -0.046 -12.585 1.00 0.00 H new ATOM 0 HD3 LYS A 88 2.934 -1.244 -11.483 1.00 0.00 H new ATOM 0 HE2 LYS A 88 1.417 -2.581 -12.579 1.00 0.00 H new ATOM 0 HE3 LYS A 88 0.366 -1.982 -11.311 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -0.871 -1.584 -13.184 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -0.099 -0.083 -13.007 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 0.472 -1.202 -14.149 1.00 0.00 H new ATOM 1299 N LEU A 89 0.186 0.536 -7.472 1.00 0.00 N ATOM 1300 CA LEU A 89 -0.771 -0.325 -6.785 1.00 0.00 C ATOM 1301 C LEU A 89 -2.107 -0.348 -7.520 1.00 0.00 C ATOM 1302 O LEU A 89 -2.550 0.668 -8.055 1.00 0.00 O ATOM 1303 CB LEU A 89 -0.975 0.152 -5.346 1.00 0.00 C ATOM 1304 CG LEU A 89 0.217 0.855 -4.697 1.00 0.00 C ATOM 1305 CD1 LEU A 89 -0.224 1.625 -3.462 1.00 0.00 C ATOM 1306 CD2 LEU A 89 1.301 -0.152 -4.340 1.00 0.00 C ATOM 0 H LEU A 89 -0.206 1.414 -7.813 1.00 0.00 H new ATOM 0 HA LEU A 89 -0.367 -1.337 -6.771 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -1.827 0.832 -5.327 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -1.241 -0.709 -4.733 1.00 0.00 H new ATOM 0 HG LEU A 89 0.629 1.564 -5.414 1.00 0.00 H new ATOM 0 HD11 LEU A 89 0.638 2.119 -3.014 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -0.964 2.373 -3.745 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -0.663 0.935 -2.741 1.00 0.00 H new ATOM 0 HD21 LEU A 89 2.142 0.366 -3.879 1.00 0.00 H new ATOM 0 HD22 LEU A 89 0.900 -0.886 -3.641 1.00 0.00 H new ATOM 0 HD23 LEU A 89 1.639 -0.659 -5.244 1.00 0.00 H new ATOM 1318 N ASN A 90 -2.746 -1.513 -7.540 1.00 0.00 N ATOM 1319 CA ASN A 90 -4.033 -1.668 -8.208 1.00 0.00 C ATOM 1320 C ASN A 90 -5.182 -1.536 -7.212 1.00 0.00 C ATOM 1321 O ASN A 90 -5.283 -2.311 -6.260 1.00 0.00 O ATOM 1322 CB ASN A 90 -4.107 -3.024 -8.912 1.00 0.00 C ATOM 1323 CG ASN A 90 -5.042 -3.007 -10.105 1.00 0.00 C ATOM 1324 OD1 ASN A 90 -6.099 -2.207 -10.016 1.00 0.00 O flip ATOM 1325 ND2 ASN A 90 -4.817 -3.704 -11.094 1.00 0.00 N flip ATOM 0 H ASN A 90 -2.394 -2.364 -7.101 1.00 0.00 H new ATOM 0 HA ASN A 90 -4.126 -0.876 -8.951 1.00 0.00 H new ATOM 0 HB2 ASN A 90 -3.109 -3.314 -9.240 1.00 0.00 H new ATOM 0 HB3 ASN A 90 -4.442 -3.781 -8.202 1.00 0.00 H new ATOM 0 HD21 ASN A 90 -3.992 -4.304 -11.118 1.00 0.00 H new ATOM 0 HD22 ASN A 90 -5.455 -3.682 -11.889 1.00 0.00 H new ATOM 1332 N ILE A 91 -6.044 -0.551 -7.439 1.00 0.00 N ATOM 1333 CA ILE A 91 -7.186 -0.320 -6.563 1.00 0.00 C ATOM 1334 C ILE A 91 -8.485 -0.770 -7.223 1.00 0.00 C ATOM 1335 O ILE A 91 -8.618 -0.734 -8.446 1.00 0.00 O ATOM 1336 CB ILE A 91 -7.308 1.166 -6.177 1.00 0.00 C ATOM 1337 CG1 ILE A 91 -5.982 1.678 -5.611 1.00 0.00 C ATOM 1338 CG2 ILE A 91 -8.431 1.362 -5.170 1.00 0.00 C ATOM 1339 CD1 ILE A 91 -5.569 0.995 -4.326 1.00 0.00 C ATOM 0 H ILE A 91 -5.974 0.100 -8.221 1.00 0.00 H new ATOM 0 HA ILE A 91 -7.016 -0.909 -5.661 1.00 0.00 H new ATOM 0 HB ILE A 91 -7.546 1.740 -7.072 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -5.199 1.536 -6.356 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -6.062 2.750 -5.433 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -8.504 2.417 -4.907 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -9.373 1.030 -5.607 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -8.222 0.779 -4.273 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -4.620 1.408 -3.983 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -6.332 1.159 -3.565 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -5.456 -0.075 -4.503 1.00 0.00 H new ATOM 1351 N VAL A 92 -9.443 -1.192 -6.404 1.00 0.00 N ATOM 1352 CA VAL A 92 -10.734 -1.646 -6.907 1.00 0.00 C ATOM 1353 C VAL A 92 -11.859 -1.276 -5.947 1.00 0.00 C ATOM 1354 O VAL A 92 -11.979 -1.849 -4.864 1.00 0.00 O ATOM 1355 CB VAL A 92 -10.745 -3.170 -7.130 1.00 0.00 C ATOM 1356 CG1 VAL A 92 -12.142 -3.646 -7.498 1.00 0.00 C ATOM 1357 CG2 VAL A 92 -9.740 -3.558 -8.204 1.00 0.00 C ATOM 0 H VAL A 92 -9.349 -1.229 -5.389 1.00 0.00 H new ATOM 0 HA VAL A 92 -10.895 -1.145 -7.862 1.00 0.00 H new ATOM 0 HB VAL A 92 -10.455 -3.658 -6.200 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -12.130 -4.725 -7.652 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -12.834 -3.402 -6.692 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -12.465 -3.153 -8.415 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -9.761 -4.638 -8.349 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -9.997 -3.061 -9.140 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -8.740 -3.253 -7.894 1.00 0.00 H new ATOM 1367 N SER A 93 -12.683 -0.315 -6.352 1.00 0.00 N ATOM 1368 CA SER A 93 -13.798 0.135 -5.526 1.00 0.00 C ATOM 1369 C SER A 93 -14.394 -1.028 -4.740 1.00 0.00 C ATOM 1370 O SER A 93 -14.874 -2.002 -5.318 1.00 0.00 O ATOM 1371 CB SER A 93 -14.876 0.783 -6.397 1.00 0.00 C ATOM 1372 OG SER A 93 -15.838 -0.171 -6.811 1.00 0.00 O ATOM 0 H SER A 93 -12.600 0.167 -7.247 1.00 0.00 H new ATOM 0 HA SER A 93 -13.420 0.873 -4.819 1.00 0.00 H new ATOM 0 HB2 SER A 93 -15.367 1.581 -5.840 1.00 0.00 H new ATOM 0 HB3 SER A 93 -14.414 1.242 -7.271 1.00 0.00 H new ATOM 0 HG SER A 93 -15.481 -1.074 -6.679 1.00 0.00 H new ATOM 1378 N GLY A 94 -14.361 -0.917 -3.415 1.00 0.00 N ATOM 1379 CA GLY A 94 -14.901 -1.966 -2.569 1.00 0.00 C ATOM 1380 C GLY A 94 -16.357 -2.259 -2.868 1.00 0.00 C ATOM 1381 O GLY A 94 -16.871 -1.936 -3.940 1.00 0.00 O ATOM 0 H GLY A 94 -13.970 -0.120 -2.913 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -14.315 -2.875 -2.704 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -14.799 -1.674 -1.524 1.00 0.00 H new ATOM 1385 N PRO A 95 -17.048 -2.888 -1.906 1.00 0.00 N ATOM 1386 CA PRO A 95 -18.464 -3.240 -2.049 1.00 0.00 C ATOM 1387 C PRO A 95 -19.370 -2.014 -2.034 1.00 0.00 C ATOM 1388 O PRO A 95 -20.594 -2.134 -2.097 1.00 0.00 O ATOM 1389 CB PRO A 95 -18.736 -4.120 -0.826 1.00 0.00 C ATOM 1390 CG PRO A 95 -17.723 -3.695 0.180 1.00 0.00 C ATOM 1391 CD PRO A 95 -16.500 -3.303 -0.603 1.00 0.00 C ATOM 0 HA PRO A 95 -18.667 -3.733 -3.000 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -19.750 -3.976 -0.452 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -18.633 -5.178 -1.069 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -18.090 -2.858 0.774 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -17.499 -4.505 0.874 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -15.956 -2.492 -0.119 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -15.805 -4.136 -0.706 1.00 0.00 H new ATOM 1399 N SER A 96 -18.762 -0.835 -1.951 1.00 0.00 N ATOM 1400 CA SER A 96 -19.515 0.413 -1.926 1.00 0.00 C ATOM 1401 C SER A 96 -20.763 0.314 -2.798 1.00 0.00 C ATOM 1402 O SER A 96 -20.710 -0.190 -3.920 1.00 0.00 O ATOM 1403 CB SER A 96 -18.638 1.573 -2.401 1.00 0.00 C ATOM 1404 OG SER A 96 -17.613 1.855 -1.464 1.00 0.00 O ATOM 0 H SER A 96 -17.750 -0.718 -1.900 1.00 0.00 H new ATOM 0 HA SER A 96 -19.826 0.599 -0.898 1.00 0.00 H new ATOM 0 HB2 SER A 96 -18.195 1.327 -3.366 1.00 0.00 H new ATOM 0 HB3 SER A 96 -19.253 2.461 -2.550 1.00 0.00 H new ATOM 0 HG SER A 96 -17.066 2.599 -1.792 1.00 0.00 H new ATOM 1410 N SER A 97 -21.885 0.797 -2.274 1.00 0.00 N ATOM 1411 CA SER A 97 -23.147 0.759 -3.002 1.00 0.00 C ATOM 1412 C SER A 97 -23.923 2.059 -2.812 1.00 0.00 C ATOM 1413 O SER A 97 -23.871 2.677 -1.749 1.00 0.00 O ATOM 1414 CB SER A 97 -23.994 -0.426 -2.535 1.00 0.00 C ATOM 1415 OG SER A 97 -23.593 -1.624 -3.177 1.00 0.00 O ATOM 0 H SER A 97 -21.945 1.219 -1.348 1.00 0.00 H new ATOM 0 HA SER A 97 -22.923 0.641 -4.062 1.00 0.00 H new ATOM 0 HB2 SER A 97 -23.901 -0.540 -1.455 1.00 0.00 H new ATOM 0 HB3 SER A 97 -25.045 -0.231 -2.746 1.00 0.00 H new ATOM 0 HG SER A 97 -22.693 -1.870 -2.878 1.00 0.00 H new ATOM 1421 N GLY A 98 -24.643 2.469 -3.852 1.00 0.00 N ATOM 1422 CA GLY A 98 -25.419 3.693 -3.781 1.00 0.00 C ATOM 1423 C GLY A 98 -24.586 4.926 -4.068 1.00 0.00 C ATOM 1424 O GLY A 98 -24.292 5.709 -3.165 1.00 0.00 O ATOM 0 H GLY A 98 -24.703 1.975 -4.742 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -26.241 3.640 -4.495 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -25.863 3.781 -2.789 1.00 0.00 H new TER 1428 GLY A 98