USER MOD reduce.3.24.130724 H: found=0, std=0, add=796, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 794 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 84 LYS NZ :NH3+ -141:sc= -0.153 (180deg=-0.865) USER MOD Set 1.2: A 89 HIS : no HE2:sc= -0.0861 K(o=-0.24,f=-0.77) USER MOD Set 2.1: A 35 GLN : amide:sc= -4.65! C(o=-9.5!,f=-20!) USER MOD Set 2.2: A 37 ASN :FLIP amide:sc= -4.86! C(o=-14!,f=-9.5!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 31:sc= 0.552 USER MOD Single : A 3 SER OG : rot 39:sc= 0.398 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 180:sc= -0.216 USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= -0.0817 X(o=-0.082,f=0) USER MOD Single : A 22 THR OG1 : rot 20:sc= 0.302 USER MOD Single : A 25 LYS NZ :NH3+ -153:sc= -0.0817 (180deg=-0.647) USER MOD Single : A 27 ASN : amide:sc= -0.0146 X(o=-0.015,f=-0.0078) USER MOD Single : A 28 GLN : amide:sc= -0.588 K(o=-0.59,f=-10!) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 48 HIS : no HD1:sc= 0 X(o=0,f=-0.011) USER MOD Single : A 49 THR OG1 : rot -94:sc= 0.418 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 57 CYS SG : rot -126:sc= -1.22! USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 171:sc= -1.02 (180deg=-1.11) USER MOD Single : A 67 HIS : no HD1:sc= -1.89 X(o=-1.9,f=-1.5) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 76 ASN :FLIP amide:sc= -0.107 F(o=-0.95,f=-0.11) USER MOD Single : A 79 HIS : no HD1:sc= -3.19 K(o=-3.2,f=-5.8!) USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 86 ASN : amide:sc= -2.87 K(o=-2.9,f=-8.6!) USER MOD Single : A 93 SER OG : rot -140:sc= -0.924 USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 GLN : amide:sc=-0.00539 K(o=-0.0054,f=-1.1!) USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 104 GLN : amide:sc= -0.11 K(o=-0.11,f=-2!) USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 110 SER OG : rot 15:sc= 0.204 USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -35.323 5.083 -15.629 1.00 0.00 N ATOM 2 CA GLY A 1 -34.085 5.790 -15.899 1.00 0.00 C ATOM 3 C GLY A 1 -32.861 4.931 -15.647 1.00 0.00 C ATOM 4 O GLY A 1 -32.390 4.231 -16.544 1.00 0.00 O ATOM 0 H1 GLY A 1 -36.130 5.712 -15.816 1.00 0.00 H new ATOM 0 H2 GLY A 1 -35.386 4.247 -16.244 1.00 0.00 H new ATOM 0 H3 GLY A 1 -35.341 4.783 -14.633 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -34.081 6.128 -16.935 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -34.035 6.681 -15.273 1.00 0.00 H new ATOM 8 N SER A 2 -32.342 4.987 -14.425 1.00 0.00 N ATOM 9 CA SER A 2 -31.162 4.213 -14.059 1.00 0.00 C ATOM 10 C SER A 2 -31.553 2.961 -13.280 1.00 0.00 C ATOM 11 O SER A 2 -32.185 3.044 -12.227 1.00 0.00 O ATOM 12 CB SER A 2 -30.204 5.066 -13.226 1.00 0.00 C ATOM 13 OG SER A 2 -30.771 5.391 -11.969 1.00 0.00 O ATOM 0 H SER A 2 -32.720 5.561 -13.671 1.00 0.00 H new ATOM 0 HA SER A 2 -30.660 3.907 -14.977 1.00 0.00 H new ATOM 0 HB2 SER A 2 -29.268 4.527 -13.078 1.00 0.00 H new ATOM 0 HB3 SER A 2 -29.963 5.981 -13.767 1.00 0.00 H new ATOM 0 HG SER A 2 -31.370 4.670 -11.684 1.00 0.00 H new ATOM 19 N SER A 3 -31.173 1.801 -13.806 1.00 0.00 N ATOM 20 CA SER A 3 -31.486 0.530 -13.163 1.00 0.00 C ATOM 21 C SER A 3 -30.221 -0.291 -12.936 1.00 0.00 C ATOM 22 O SER A 3 -29.522 -0.651 -13.882 1.00 0.00 O ATOM 23 CB SER A 3 -32.478 -0.266 -14.015 1.00 0.00 C ATOM 24 OG SER A 3 -31.957 -0.508 -15.310 1.00 0.00 O ATOM 0 H SER A 3 -30.648 1.715 -14.676 1.00 0.00 H new ATOM 0 HA SER A 3 -31.938 0.743 -12.194 1.00 0.00 H new ATOM 0 HB2 SER A 3 -32.703 -1.214 -13.527 1.00 0.00 H new ATOM 0 HB3 SER A 3 -33.417 0.282 -14.094 1.00 0.00 H new ATOM 0 HG SER A 3 -31.000 -0.710 -15.245 1.00 0.00 H new ATOM 30 N GLY A 4 -29.932 -0.583 -11.671 1.00 0.00 N ATOM 31 CA GLY A 4 -28.751 -1.359 -11.340 1.00 0.00 C ATOM 32 C GLY A 4 -27.631 -0.502 -10.785 1.00 0.00 C ATOM 33 O GLY A 4 -26.626 -0.270 -11.457 1.00 0.00 O ATOM 0 H GLY A 4 -30.495 -0.296 -10.870 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -29.015 -2.124 -10.609 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -28.399 -1.878 -12.232 1.00 0.00 H new ATOM 37 N SER A 5 -27.805 -0.028 -9.555 1.00 0.00 N ATOM 38 CA SER A 5 -26.803 0.814 -8.912 1.00 0.00 C ATOM 39 C SER A 5 -26.634 0.432 -7.444 1.00 0.00 C ATOM 40 O SER A 5 -27.540 0.621 -6.634 1.00 0.00 O ATOM 41 CB SER A 5 -27.195 2.288 -9.025 1.00 0.00 C ATOM 42 OG SER A 5 -27.295 2.687 -10.381 1.00 0.00 O ATOM 0 H SER A 5 -28.630 -0.213 -8.984 1.00 0.00 H new ATOM 0 HA SER A 5 -25.852 0.659 -9.422 1.00 0.00 H new ATOM 0 HB2 SER A 5 -28.148 2.453 -8.523 1.00 0.00 H new ATOM 0 HB3 SER A 5 -26.455 2.904 -8.515 1.00 0.00 H new ATOM 0 HG SER A 5 -27.548 3.633 -10.426 1.00 0.00 H new ATOM 48 N SER A 6 -25.466 -0.108 -7.111 1.00 0.00 N ATOM 49 CA SER A 6 -25.178 -0.521 -5.742 1.00 0.00 C ATOM 50 C SER A 6 -23.679 -0.464 -5.462 1.00 0.00 C ATOM 51 O SER A 6 -22.861 -0.697 -6.350 1.00 0.00 O ATOM 52 CB SER A 6 -25.702 -1.936 -5.493 1.00 0.00 C ATOM 53 OG SER A 6 -25.429 -2.355 -4.167 1.00 0.00 O ATOM 0 H SER A 6 -24.704 -0.270 -7.770 1.00 0.00 H new ATOM 0 HA SER A 6 -25.683 0.169 -5.066 1.00 0.00 H new ATOM 0 HB2 SER A 6 -26.777 -1.966 -5.673 1.00 0.00 H new ATOM 0 HB3 SER A 6 -25.241 -2.627 -6.198 1.00 0.00 H new ATOM 0 HG SER A 6 -25.775 -3.262 -4.033 1.00 0.00 H new ATOM 59 N GLY A 7 -23.327 -0.154 -4.217 1.00 0.00 N ATOM 60 CA GLY A 7 -21.928 -0.072 -3.841 1.00 0.00 C ATOM 61 C GLY A 7 -21.574 -1.024 -2.715 1.00 0.00 C ATOM 62 O GLY A 7 -21.370 -0.601 -1.577 1.00 0.00 O ATOM 0 H GLY A 7 -23.986 0.042 -3.463 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -21.308 -0.294 -4.709 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -21.696 0.949 -3.536 1.00 0.00 H new ATOM 66 N SER A 8 -21.503 -2.312 -3.033 1.00 0.00 N ATOM 67 CA SER A 8 -21.176 -3.328 -2.038 1.00 0.00 C ATOM 68 C SER A 8 -19.936 -2.931 -1.244 1.00 0.00 C ATOM 69 O SER A 8 -18.997 -2.348 -1.787 1.00 0.00 O ATOM 70 CB SER A 8 -20.951 -4.681 -2.715 1.00 0.00 C ATOM 71 OG SER A 8 -22.175 -5.234 -3.169 1.00 0.00 O ATOM 0 H SER A 8 -21.667 -2.677 -3.971 1.00 0.00 H new ATOM 0 HA SER A 8 -22.016 -3.410 -1.349 1.00 0.00 H new ATOM 0 HB2 SER A 8 -20.268 -4.561 -3.556 1.00 0.00 H new ATOM 0 HB3 SER A 8 -20.476 -5.367 -2.014 1.00 0.00 H new ATOM 0 HG SER A 8 -22.004 -6.098 -3.599 1.00 0.00 H new ATOM 77 N ASP A 9 -19.939 -3.251 0.045 1.00 0.00 N ATOM 78 CA ASP A 9 -18.815 -2.930 0.916 1.00 0.00 C ATOM 79 C ASP A 9 -17.970 -4.170 1.192 1.00 0.00 C ATOM 80 O ASP A 9 -18.100 -4.801 2.241 1.00 0.00 O ATOM 81 CB ASP A 9 -19.315 -2.336 2.233 1.00 0.00 C ATOM 82 CG ASP A 9 -19.480 -0.830 2.163 1.00 0.00 C ATOM 83 OD1 ASP A 9 -20.549 -0.371 1.708 1.00 0.00 O ATOM 84 OD2 ASP A 9 -18.541 -0.112 2.565 1.00 0.00 O ATOM 0 H ASP A 9 -20.708 -3.733 0.510 1.00 0.00 H new ATOM 0 HA ASP A 9 -18.193 -2.193 0.408 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -20.270 -2.792 2.494 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -18.614 -2.585 3.030 1.00 0.00 H new ATOM 89 N ASP A 10 -17.105 -4.513 0.244 1.00 0.00 N ATOM 90 CA ASP A 10 -16.238 -5.678 0.384 1.00 0.00 C ATOM 91 C ASP A 10 -14.785 -5.254 0.576 1.00 0.00 C ATOM 92 O ASP A 10 -13.864 -5.955 0.159 1.00 0.00 O ATOM 93 CB ASP A 10 -16.361 -6.582 -0.843 1.00 0.00 C ATOM 94 CG ASP A 10 -17.730 -7.224 -0.954 1.00 0.00 C ATOM 95 OD1 ASP A 10 -17.948 -8.271 -0.310 1.00 0.00 O ATOM 96 OD2 ASP A 10 -18.583 -6.680 -1.686 1.00 0.00 O ATOM 0 H ASP A 10 -16.985 -4.001 -0.630 1.00 0.00 H new ATOM 0 HA ASP A 10 -16.555 -6.233 1.267 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -16.163 -5.998 -1.742 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -15.600 -7.361 -0.794 1.00 0.00 H new ATOM 101 N ALA A 11 -14.589 -4.101 1.207 1.00 0.00 N ATOM 102 CA ALA A 11 -13.249 -3.584 1.455 1.00 0.00 C ATOM 103 C ALA A 11 -12.641 -4.210 2.706 1.00 0.00 C ATOM 104 O ALA A 11 -11.458 -4.027 2.991 1.00 0.00 O ATOM 105 CB ALA A 11 -13.283 -2.069 1.583 1.00 0.00 C ATOM 0 H ALA A 11 -15.341 -3.507 1.556 1.00 0.00 H new ATOM 0 HA ALA A 11 -12.621 -3.851 0.605 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -12.275 -1.697 1.768 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -13.667 -1.634 0.660 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -13.932 -1.788 2.413 1.00 0.00 H new ATOM 111 N ARG A 12 -13.459 -4.948 3.450 1.00 0.00 N ATOM 112 CA ARG A 12 -13.002 -5.598 4.672 1.00 0.00 C ATOM 113 C ARG A 12 -12.180 -6.843 4.350 1.00 0.00 C ATOM 114 O ARG A 12 -11.475 -7.373 5.209 1.00 0.00 O ATOM 115 CB ARG A 12 -14.196 -5.975 5.551 1.00 0.00 C ATOM 116 CG ARG A 12 -14.641 -4.861 6.483 1.00 0.00 C ATOM 117 CD ARG A 12 -13.485 -4.343 7.325 1.00 0.00 C ATOM 118 NE ARG A 12 -13.934 -3.838 8.620 1.00 0.00 N ATOM 119 CZ ARG A 12 -14.402 -2.609 8.807 1.00 0.00 C ATOM 120 NH1 ARG A 12 -14.482 -1.765 7.788 1.00 0.00 N ATOM 121 NH2 ARG A 12 -14.791 -2.223 10.016 1.00 0.00 N ATOM 0 H ARG A 12 -14.441 -5.110 3.228 1.00 0.00 H new ATOM 0 HA ARG A 12 -12.369 -4.895 5.213 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -15.032 -6.258 4.912 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -13.937 -6.852 6.144 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -15.062 -4.043 5.899 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -15.433 -5.227 7.136 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -12.762 -5.144 7.479 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -12.971 -3.548 6.785 1.00 0.00 H new ATOM 0 HE ARG A 12 -13.886 -4.463 9.425 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -14.184 -2.059 6.858 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -14.842 -0.822 7.934 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -14.731 -2.870 10.802 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -15.150 -1.279 10.159 1.00 0.00 H new ATOM 135 N ARG A 13 -12.278 -7.306 3.108 1.00 0.00 N ATOM 136 CA ARG A 13 -11.545 -8.489 2.673 1.00 0.00 C ATOM 137 C ARG A 13 -10.199 -8.103 2.067 1.00 0.00 C ATOM 138 O ARG A 13 -9.329 -8.952 1.869 1.00 0.00 O ATOM 139 CB ARG A 13 -12.368 -9.279 1.654 1.00 0.00 C ATOM 140 CG ARG A 13 -13.634 -9.889 2.234 1.00 0.00 C ATOM 141 CD ARG A 13 -14.714 -10.043 1.176 1.00 0.00 C ATOM 142 NE ARG A 13 -15.723 -11.026 1.562 1.00 0.00 N ATOM 143 CZ ARG A 13 -15.555 -12.338 1.438 1.00 0.00 C ATOM 144 NH1 ARG A 13 -14.425 -12.821 0.943 1.00 0.00 N ATOM 145 NH2 ARG A 13 -16.520 -13.169 1.812 1.00 0.00 N ATOM 0 H ARG A 13 -12.858 -6.880 2.385 1.00 0.00 H new ATOM 0 HA ARG A 13 -11.364 -9.115 3.547 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -12.638 -8.620 0.828 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -11.749 -10.074 1.238 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -13.405 -10.863 2.666 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -14.004 -9.260 3.044 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -15.194 -9.079 1.005 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -14.257 -10.344 0.233 1.00 0.00 H new ATOM 0 HE ARG A 13 -16.604 -10.687 1.948 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -13.681 -12.185 0.656 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -14.299 -13.829 0.849 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -17.391 -12.800 2.195 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -16.391 -14.176 1.717 1.00 0.00 H new ATOM 159 N LEU A 14 -10.035 -6.818 1.773 1.00 0.00 N ATOM 160 CA LEU A 14 -8.796 -6.319 1.189 1.00 0.00 C ATOM 161 C LEU A 14 -7.652 -6.388 2.195 1.00 0.00 C ATOM 162 O LEU A 14 -7.817 -6.039 3.365 1.00 0.00 O ATOM 163 CB LEU A 14 -8.979 -4.878 0.707 1.00 0.00 C ATOM 164 CG LEU A 14 -10.205 -4.615 -0.168 1.00 0.00 C ATOM 165 CD1 LEU A 14 -10.479 -3.122 -0.268 1.00 0.00 C ATOM 166 CD2 LEU A 14 -10.011 -5.216 -1.553 1.00 0.00 C ATOM 0 H LEU A 14 -10.745 -6.103 1.930 1.00 0.00 H new ATOM 0 HA LEU A 14 -8.545 -6.952 0.338 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -9.034 -4.228 1.580 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -8.089 -4.587 0.149 1.00 0.00 H new ATOM 0 HG LEU A 14 -11.068 -5.092 0.297 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -11.355 -2.954 -0.895 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -10.662 -2.718 0.728 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -9.616 -2.622 -0.709 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -10.893 -5.019 -2.162 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -9.137 -4.768 -2.025 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -9.864 -6.292 -1.465 1.00 0.00 H new ATOM 178 N THR A 15 -6.490 -6.839 1.733 1.00 0.00 N ATOM 179 CA THR A 15 -5.318 -6.953 2.592 1.00 0.00 C ATOM 180 C THR A 15 -4.031 -6.814 1.788 1.00 0.00 C ATOM 181 O THR A 15 -4.031 -6.961 0.566 1.00 0.00 O ATOM 182 CB THR A 15 -5.299 -8.300 3.340 1.00 0.00 C ATOM 183 OG1 THR A 15 -4.096 -8.417 4.107 1.00 0.00 O ATOM 184 CG2 THR A 15 -5.400 -9.462 2.364 1.00 0.00 C ATOM 0 H THR A 15 -6.335 -7.131 0.768 1.00 0.00 H new ATOM 0 HA THR A 15 -5.379 -6.142 3.318 1.00 0.00 H new ATOM 0 HB THR A 15 -6.160 -8.332 4.008 1.00 0.00 H new ATOM 0 HG1 THR A 15 -4.092 -9.275 4.581 1.00 0.00 H new ATOM 0 HG21 THR A 15 -5.385 -10.402 2.915 1.00 0.00 H new ATOM 0 HG22 THR A 15 -6.331 -9.386 1.802 1.00 0.00 H new ATOM 0 HG23 THR A 15 -4.557 -9.432 1.674 1.00 0.00 H new ATOM 192 N VAL A 16 -2.933 -6.529 2.482 1.00 0.00 N ATOM 193 CA VAL A 16 -1.638 -6.371 1.832 1.00 0.00 C ATOM 194 C VAL A 16 -0.538 -7.072 2.620 1.00 0.00 C ATOM 195 O VAL A 16 -0.480 -6.978 3.847 1.00 0.00 O ATOM 196 CB VAL A 16 -1.269 -4.884 1.669 1.00 0.00 C ATOM 197 CG1 VAL A 16 -0.083 -4.728 0.729 1.00 0.00 C ATOM 198 CG2 VAL A 16 -2.466 -4.091 1.166 1.00 0.00 C ATOM 0 H VAL A 16 -2.915 -6.403 3.494 1.00 0.00 H new ATOM 0 HA VAL A 16 -1.722 -6.827 0.846 1.00 0.00 H new ATOM 0 HB VAL A 16 -0.984 -4.489 2.644 1.00 0.00 H new ATOM 0 HG11 VAL A 16 0.163 -3.671 0.626 1.00 0.00 H new ATOM 0 HG12 VAL A 16 0.776 -5.263 1.135 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -0.337 -5.138 -0.248 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -2.188 -3.043 1.056 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -2.784 -4.485 0.201 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -3.285 -4.176 1.880 1.00 0.00 H new ATOM 208 N THR A 17 0.336 -7.778 1.908 1.00 0.00 N ATOM 209 CA THR A 17 1.434 -8.497 2.541 1.00 0.00 C ATOM 210 C THR A 17 2.773 -8.111 1.922 1.00 0.00 C ATOM 211 O THR A 17 3.642 -7.555 2.594 1.00 0.00 O ATOM 212 CB THR A 17 1.248 -10.021 2.426 1.00 0.00 C ATOM 213 OG1 THR A 17 0.035 -10.417 3.074 1.00 0.00 O ATOM 214 CG2 THR A 17 2.425 -10.759 3.047 1.00 0.00 C ATOM 0 H THR A 17 0.304 -7.867 0.892 1.00 0.00 H new ATOM 0 HA THR A 17 1.430 -8.217 3.594 1.00 0.00 H new ATOM 0 HB THR A 17 1.195 -10.279 1.368 1.00 0.00 H new ATOM 0 HG1 THR A 17 -0.077 -11.387 2.995 1.00 0.00 H new ATOM 0 HG21 THR A 17 2.271 -11.834 2.954 1.00 0.00 H new ATOM 0 HG22 THR A 17 3.343 -10.478 2.532 1.00 0.00 H new ATOM 0 HG23 THR A 17 2.505 -10.494 4.101 1.00 0.00 H new ATOM 222 N SER A 18 2.932 -8.409 0.636 1.00 0.00 N ATOM 223 CA SER A 18 4.167 -8.096 -0.073 1.00 0.00 C ATOM 224 C SER A 18 4.769 -6.789 0.435 1.00 0.00 C ATOM 225 O SER A 18 5.978 -6.693 0.655 1.00 0.00 O ATOM 226 CB SER A 18 3.906 -7.999 -1.578 1.00 0.00 C ATOM 227 OG SER A 18 4.029 -9.266 -2.199 1.00 0.00 O ATOM 0 H SER A 18 2.222 -8.866 0.065 1.00 0.00 H new ATOM 0 HA SER A 18 4.878 -8.901 0.114 1.00 0.00 H new ATOM 0 HB2 SER A 18 2.906 -7.601 -1.752 1.00 0.00 H new ATOM 0 HB3 SER A 18 4.611 -7.300 -2.028 1.00 0.00 H new ATOM 0 HG SER A 18 3.856 -9.178 -3.160 1.00 0.00 H new ATOM 233 N LEU A 19 3.919 -5.786 0.618 1.00 0.00 N ATOM 234 CA LEU A 19 4.365 -4.483 1.101 1.00 0.00 C ATOM 235 C LEU A 19 5.286 -4.635 2.307 1.00 0.00 C ATOM 236 O LEU A 19 5.025 -5.442 3.200 1.00 0.00 O ATOM 237 CB LEU A 19 3.162 -3.614 1.469 1.00 0.00 C ATOM 238 CG LEU A 19 3.476 -2.304 2.192 1.00 0.00 C ATOM 239 CD1 LEU A 19 3.736 -1.190 1.189 1.00 0.00 C ATOM 240 CD2 LEU A 19 2.339 -1.925 3.129 1.00 0.00 C ATOM 0 H LEU A 19 2.917 -5.849 0.440 1.00 0.00 H new ATOM 0 HA LEU A 19 4.923 -3.998 0.300 1.00 0.00 H new ATOM 0 HB2 LEU A 19 2.616 -3.379 0.555 1.00 0.00 H new ATOM 0 HB3 LEU A 19 2.494 -4.202 2.098 1.00 0.00 H new ATOM 0 HG LEU A 19 4.378 -2.448 2.787 1.00 0.00 H new ATOM 0 HD11 LEU A 19 3.958 -0.265 1.722 1.00 0.00 H new ATOM 0 HD12 LEU A 19 4.584 -1.458 0.559 1.00 0.00 H new ATOM 0 HD13 LEU A 19 2.853 -1.047 0.567 1.00 0.00 H new ATOM 0 HD21 LEU A 19 2.581 -0.990 3.635 1.00 0.00 H new ATOM 0 HD22 LEU A 19 1.421 -1.800 2.555 1.00 0.00 H new ATOM 0 HD23 LEU A 19 2.200 -2.713 3.870 1.00 0.00 H new ATOM 252 N GLN A 20 6.361 -3.854 2.328 1.00 0.00 N ATOM 253 CA GLN A 20 7.319 -3.902 3.426 1.00 0.00 C ATOM 254 C GLN A 20 7.075 -2.763 4.410 1.00 0.00 C ATOM 255 O GLN A 20 7.407 -1.610 4.134 1.00 0.00 O ATOM 256 CB GLN A 20 8.748 -3.829 2.887 1.00 0.00 C ATOM 257 CG GLN A 20 9.774 -4.489 3.794 1.00 0.00 C ATOM 258 CD GLN A 20 11.087 -4.764 3.088 1.00 0.00 C ATOM 259 OE1 GLN A 20 11.476 -5.918 2.903 1.00 0.00 O ATOM 260 NE2 GLN A 20 11.778 -3.703 2.688 1.00 0.00 N ATOM 0 H GLN A 20 6.590 -3.180 1.597 1.00 0.00 H new ATOM 0 HA GLN A 20 7.185 -4.847 3.952 1.00 0.00 H new ATOM 0 HB2 GLN A 20 8.783 -4.304 1.907 1.00 0.00 H new ATOM 0 HB3 GLN A 20 9.021 -2.783 2.744 1.00 0.00 H new ATOM 0 HG2 GLN A 20 9.957 -3.848 4.656 1.00 0.00 H new ATOM 0 HG3 GLN A 20 9.367 -5.426 4.174 1.00 0.00 H new ATOM 0 HE21 GLN A 20 11.418 -2.765 2.862 1.00 0.00 H new ATOM 0 HE22 GLN A 20 12.669 -3.826 2.207 1.00 0.00 H new ATOM 269 N GLU A 21 6.493 -3.093 5.559 1.00 0.00 N ATOM 270 CA GLU A 21 6.205 -2.097 6.583 1.00 0.00 C ATOM 271 C GLU A 21 7.426 -1.221 6.850 1.00 0.00 C ATOM 272 O GLU A 21 7.349 0.006 6.794 1.00 0.00 O ATOM 273 CB GLU A 21 5.759 -2.778 7.879 1.00 0.00 C ATOM 274 CG GLU A 21 4.292 -3.175 7.884 1.00 0.00 C ATOM 275 CD GLU A 21 3.840 -3.717 9.226 1.00 0.00 C ATOM 276 OE1 GLU A 21 4.565 -4.552 9.805 1.00 0.00 O ATOM 277 OE2 GLU A 21 2.759 -3.305 9.698 1.00 0.00 O ATOM 0 H GLU A 21 6.212 -4.043 5.803 1.00 0.00 H new ATOM 0 HA GLU A 21 5.397 -1.463 6.218 1.00 0.00 H new ATOM 0 HB2 GLU A 21 6.368 -3.667 8.040 1.00 0.00 H new ATOM 0 HB3 GLU A 21 5.948 -2.106 8.716 1.00 0.00 H new ATOM 0 HG2 GLU A 21 3.684 -2.309 7.623 1.00 0.00 H new ATOM 0 HG3 GLU A 21 4.121 -3.929 7.115 1.00 0.00 H new ATOM 284 N THR A 22 8.553 -1.862 7.142 1.00 0.00 N ATOM 285 CA THR A 22 9.791 -1.144 7.419 1.00 0.00 C ATOM 286 C THR A 22 10.978 -1.806 6.729 1.00 0.00 C ATOM 287 O THR A 22 11.223 -2.999 6.903 1.00 0.00 O ATOM 288 CB THR A 22 10.069 -1.068 8.933 1.00 0.00 C ATOM 289 OG1 THR A 22 10.277 -2.384 9.459 1.00 0.00 O ATOM 290 CG2 THR A 22 8.913 -0.401 9.663 1.00 0.00 C ATOM 0 H THR A 22 8.634 -2.877 7.193 1.00 0.00 H new ATOM 0 HA THR A 22 9.665 -0.134 7.028 1.00 0.00 H new ATOM 0 HB THR A 22 10.967 -0.470 9.086 1.00 0.00 H new ATOM 0 HG1 THR A 22 10.511 -2.995 8.729 1.00 0.00 H new ATOM 0 HG21 THR A 22 9.132 -0.359 10.730 1.00 0.00 H new ATOM 0 HG22 THR A 22 8.776 0.610 9.280 1.00 0.00 H new ATOM 0 HG23 THR A 22 8.001 -0.976 9.502 1.00 0.00 H new ATOM 298 N GLY A 23 11.712 -1.023 5.944 1.00 0.00 N ATOM 299 CA GLY A 23 12.865 -1.552 5.239 1.00 0.00 C ATOM 300 C GLY A 23 13.047 -0.923 3.872 1.00 0.00 C ATOM 301 O GLY A 23 14.104 -1.058 3.254 1.00 0.00 O ATOM 0 H GLY A 23 11.529 -0.032 5.784 1.00 0.00 H new ATOM 0 HA2 GLY A 23 13.761 -1.383 5.836 1.00 0.00 H new ATOM 0 HA3 GLY A 23 12.756 -2.631 5.128 1.00 0.00 H new ATOM 305 N LEU A 24 12.015 -0.235 3.397 1.00 0.00 N ATOM 306 CA LEU A 24 12.065 0.416 2.092 1.00 0.00 C ATOM 307 C LEU A 24 13.016 1.608 2.115 1.00 0.00 C ATOM 308 O LEU A 24 12.828 2.552 2.882 1.00 0.00 O ATOM 309 CB LEU A 24 10.666 0.873 1.675 1.00 0.00 C ATOM 310 CG LEU A 24 9.574 -0.197 1.705 1.00 0.00 C ATOM 311 CD1 LEU A 24 8.228 0.405 1.332 1.00 0.00 C ATOM 312 CD2 LEU A 24 9.925 -1.344 0.769 1.00 0.00 C ATOM 0 H LEU A 24 11.133 -0.113 3.895 1.00 0.00 H new ATOM 0 HA LEU A 24 12.436 -0.307 1.366 1.00 0.00 H new ATOM 0 HB2 LEU A 24 10.363 1.691 2.328 1.00 0.00 H new ATOM 0 HB3 LEU A 24 10.724 1.277 0.664 1.00 0.00 H new ATOM 0 HG LEU A 24 9.505 -0.591 2.719 1.00 0.00 H new ATOM 0 HD11 LEU A 24 7.463 -0.371 1.358 1.00 0.00 H new ATOM 0 HD12 LEU A 24 7.972 1.192 2.042 1.00 0.00 H new ATOM 0 HD13 LEU A 24 8.283 0.826 0.328 1.00 0.00 H new ATOM 0 HD21 LEU A 24 9.137 -2.096 0.803 1.00 0.00 H new ATOM 0 HD22 LEU A 24 10.022 -0.966 -0.249 1.00 0.00 H new ATOM 0 HD23 LEU A 24 10.868 -1.793 1.081 1.00 0.00 H new ATOM 324 N LYS A 25 14.037 1.560 1.266 1.00 0.00 N ATOM 325 CA LYS A 25 15.017 2.637 1.185 1.00 0.00 C ATOM 326 C LYS A 25 14.403 3.885 0.561 1.00 0.00 C ATOM 327 O LYS A 25 13.204 3.927 0.282 1.00 0.00 O ATOM 328 CB LYS A 25 16.231 2.189 0.367 1.00 0.00 C ATOM 329 CG LYS A 25 17.066 1.121 1.052 1.00 0.00 C ATOM 330 CD LYS A 25 17.817 0.269 0.043 1.00 0.00 C ATOM 331 CE LYS A 25 18.924 1.058 -0.639 1.00 0.00 C ATOM 332 NZ LYS A 25 18.435 1.761 -1.857 1.00 0.00 N ATOM 0 H LYS A 25 14.208 0.786 0.624 1.00 0.00 H new ATOM 0 HA LYS A 25 15.338 2.879 2.198 1.00 0.00 H new ATOM 0 HB2 LYS A 25 15.890 1.809 -0.596 1.00 0.00 H new ATOM 0 HB3 LYS A 25 16.861 3.055 0.163 1.00 0.00 H new ATOM 0 HG2 LYS A 25 17.776 1.593 1.731 1.00 0.00 H new ATOM 0 HG3 LYS A 25 16.420 0.485 1.657 1.00 0.00 H new ATOM 0 HD2 LYS A 25 18.244 -0.599 0.545 1.00 0.00 H new ATOM 0 HD3 LYS A 25 17.121 -0.106 -0.707 1.00 0.00 H new ATOM 0 HE2 LYS A 25 19.335 1.786 0.060 1.00 0.00 H new ATOM 0 HE3 LYS A 25 19.736 0.384 -0.910 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 19.223 1.891 -2.523 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 17.690 1.194 -2.310 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 18.050 2.690 -1.591 1.00 0.00 H new ATOM 346 N VAL A 26 15.231 4.902 0.342 1.00 0.00 N ATOM 347 CA VAL A 26 14.770 6.151 -0.251 1.00 0.00 C ATOM 348 C VAL A 26 15.015 6.168 -1.756 1.00 0.00 C ATOM 349 O VAL A 26 15.972 5.569 -2.246 1.00 0.00 O ATOM 350 CB VAL A 26 15.468 7.367 0.386 1.00 0.00 C ATOM 351 CG1 VAL A 26 16.961 7.338 0.095 1.00 0.00 C ATOM 352 CG2 VAL A 26 14.844 8.661 -0.114 1.00 0.00 C ATOM 0 H VAL A 26 16.226 4.885 0.567 1.00 0.00 H new ATOM 0 HA VAL A 26 13.699 6.216 -0.059 1.00 0.00 H new ATOM 0 HB VAL A 26 15.332 7.318 1.466 1.00 0.00 H new ATOM 0 HG11 VAL A 26 17.438 8.205 0.553 1.00 0.00 H new ATOM 0 HG12 VAL A 26 17.394 6.426 0.506 1.00 0.00 H new ATOM 0 HG13 VAL A 26 17.122 7.362 -0.983 1.00 0.00 H new ATOM 0 HG21 VAL A 26 15.349 9.510 0.346 1.00 0.00 H new ATOM 0 HG22 VAL A 26 14.948 8.720 -1.197 1.00 0.00 H new ATOM 0 HG23 VAL A 26 13.787 8.681 0.150 1.00 0.00 H new ATOM 362 N ASN A 27 14.145 6.859 -2.484 1.00 0.00 N ATOM 363 CA ASN A 27 14.267 6.955 -3.934 1.00 0.00 C ATOM 364 C ASN A 27 14.378 5.569 -4.564 1.00 0.00 C ATOM 365 O ASN A 27 15.111 5.374 -5.532 1.00 0.00 O ATOM 366 CB ASN A 27 15.489 7.796 -4.310 1.00 0.00 C ATOM 367 CG ASN A 27 15.197 9.284 -4.281 1.00 0.00 C ATOM 368 OD1 ASN A 27 14.392 9.785 -5.067 1.00 0.00 O ATOM 369 ND2 ASN A 27 15.852 9.998 -3.373 1.00 0.00 N ATOM 0 H ASN A 27 13.347 7.361 -2.094 1.00 0.00 H new ATOM 0 HA ASN A 27 13.369 7.439 -4.317 1.00 0.00 H new ATOM 0 HB2 ASN A 27 16.305 7.575 -3.622 1.00 0.00 H new ATOM 0 HB3 ASN A 27 15.828 7.514 -5.307 1.00 0.00 H new ATOM 0 HD21 ASN A 27 15.697 11.004 -3.306 1.00 0.00 H new ATOM 0 HD22 ASN A 27 16.510 9.540 -2.742 1.00 0.00 H new ATOM 376 N GLN A 28 13.643 4.612 -4.006 1.00 0.00 N ATOM 377 CA GLN A 28 13.659 3.245 -4.512 1.00 0.00 C ATOM 378 C GLN A 28 12.293 2.854 -5.067 1.00 0.00 C ATOM 379 O GLN A 28 11.249 3.238 -4.540 1.00 0.00 O ATOM 380 CB GLN A 28 14.070 2.273 -3.405 1.00 0.00 C ATOM 381 CG GLN A 28 12.984 2.039 -2.367 1.00 0.00 C ATOM 382 CD GLN A 28 13.156 0.726 -1.628 1.00 0.00 C ATOM 383 OE1 GLN A 28 14.227 0.437 -1.093 1.00 0.00 O ATOM 384 NE2 GLN A 28 12.099 -0.077 -1.593 1.00 0.00 N ATOM 0 H GLN A 28 13.030 4.758 -3.204 1.00 0.00 H new ATOM 0 HA GLN A 28 14.388 3.193 -5.320 1.00 0.00 H new ATOM 0 HB2 GLN A 28 14.343 1.318 -3.854 1.00 0.00 H new ATOM 0 HB3 GLN A 28 14.960 2.658 -2.907 1.00 0.00 H new ATOM 0 HG2 GLN A 28 12.990 2.859 -1.649 1.00 0.00 H new ATOM 0 HG3 GLN A 28 12.010 2.051 -2.856 1.00 0.00 H new ATOM 0 HE21 GLN A 28 11.231 0.202 -2.050 1.00 0.00 H new ATOM 0 HE22 GLN A 28 12.155 -0.973 -1.109 1.00 0.00 H new ATOM 393 N PRO A 29 12.298 2.072 -6.156 1.00 0.00 N ATOM 394 CA PRO A 29 11.068 1.612 -6.806 1.00 0.00 C ATOM 395 C PRO A 29 10.310 0.595 -5.960 1.00 0.00 C ATOM 396 O PRO A 29 10.555 -0.608 -6.050 1.00 0.00 O ATOM 397 CB PRO A 29 11.570 0.963 -8.099 1.00 0.00 C ATOM 398 CG PRO A 29 12.969 0.549 -7.796 1.00 0.00 C ATOM 399 CD PRO A 29 13.506 1.576 -6.838 1.00 0.00 C ATOM 0 HA PRO A 29 10.364 2.428 -6.968 1.00 0.00 H new ATOM 0 HB2 PRO A 29 10.955 0.107 -8.377 1.00 0.00 H new ATOM 0 HB3 PRO A 29 11.536 1.664 -8.933 1.00 0.00 H new ATOM 0 HG2 PRO A 29 12.994 -0.447 -7.355 1.00 0.00 H new ATOM 0 HG3 PRO A 29 13.570 0.511 -8.704 1.00 0.00 H new ATOM 0 HD2 PRO A 29 14.213 1.138 -6.134 1.00 0.00 H new ATOM 0 HD3 PRO A 29 14.030 2.377 -7.360 1.00 0.00 H new ATOM 407 N ALA A 30 9.389 1.085 -5.137 1.00 0.00 N ATOM 408 CA ALA A 30 8.594 0.218 -4.276 1.00 0.00 C ATOM 409 C ALA A 30 7.258 -0.126 -4.927 1.00 0.00 C ATOM 410 O ALA A 30 6.558 0.752 -5.431 1.00 0.00 O ATOM 411 CB ALA A 30 8.370 0.879 -2.924 1.00 0.00 C ATOM 0 H ALA A 30 9.175 2.078 -5.048 1.00 0.00 H new ATOM 0 HA ALA A 30 9.146 -0.710 -4.127 1.00 0.00 H new ATOM 0 HB1 ALA A 30 7.775 0.221 -2.291 1.00 0.00 H new ATOM 0 HB2 ALA A 30 9.332 1.068 -2.448 1.00 0.00 H new ATOM 0 HB3 ALA A 30 7.842 1.823 -3.063 1.00 0.00 H new ATOM 417 N SER A 31 6.912 -1.409 -4.913 1.00 0.00 N ATOM 418 CA SER A 31 5.662 -1.870 -5.506 1.00 0.00 C ATOM 419 C SER A 31 5.169 -3.139 -4.817 1.00 0.00 C ATOM 420 O SER A 31 5.960 -4.014 -4.463 1.00 0.00 O ATOM 421 CB SER A 31 5.847 -2.127 -7.002 1.00 0.00 C ATOM 422 OG SER A 31 6.905 -3.040 -7.236 1.00 0.00 O ATOM 0 H SER A 31 7.479 -2.148 -4.498 1.00 0.00 H new ATOM 0 HA SER A 31 4.914 -1.089 -5.369 1.00 0.00 H new ATOM 0 HB2 SER A 31 4.922 -2.521 -7.423 1.00 0.00 H new ATOM 0 HB3 SER A 31 6.054 -1.187 -7.513 1.00 0.00 H new ATOM 0 HG SER A 31 7.002 -3.189 -8.200 1.00 0.00 H new ATOM 428 N PHE A 32 3.857 -3.233 -4.631 1.00 0.00 N ATOM 429 CA PHE A 32 3.258 -4.395 -3.984 1.00 0.00 C ATOM 430 C PHE A 32 1.896 -4.715 -4.595 1.00 0.00 C ATOM 431 O PHE A 32 1.433 -4.025 -5.503 1.00 0.00 O ATOM 432 CB PHE A 32 3.110 -4.148 -2.482 1.00 0.00 C ATOM 433 CG PHE A 32 2.768 -2.727 -2.138 1.00 0.00 C ATOM 434 CD1 PHE A 32 3.716 -1.724 -2.260 1.00 0.00 C ATOM 435 CD2 PHE A 32 1.499 -2.393 -1.693 1.00 0.00 C ATOM 436 CE1 PHE A 32 3.405 -0.415 -1.943 1.00 0.00 C ATOM 437 CE2 PHE A 32 1.182 -1.086 -1.376 1.00 0.00 C ATOM 438 CZ PHE A 32 2.136 -0.095 -1.502 1.00 0.00 C ATOM 0 H PHE A 32 3.188 -2.519 -4.919 1.00 0.00 H new ATOM 0 HA PHE A 32 3.917 -5.249 -4.142 1.00 0.00 H new ATOM 0 HB2 PHE A 32 2.334 -4.805 -2.089 1.00 0.00 H new ATOM 0 HB3 PHE A 32 4.041 -4.420 -1.984 1.00 0.00 H new ATOM 0 HD1 PHE A 32 4.709 -1.968 -2.607 1.00 0.00 H new ATOM 0 HD2 PHE A 32 0.749 -3.163 -1.593 1.00 0.00 H new ATOM 0 HE1 PHE A 32 4.154 0.357 -2.040 1.00 0.00 H new ATOM 0 HE2 PHE A 32 0.189 -0.839 -1.030 1.00 0.00 H new ATOM 0 HZ PHE A 32 1.890 0.928 -1.256 1.00 0.00 H new ATOM 448 N ALA A 33 1.261 -5.768 -4.090 1.00 0.00 N ATOM 449 CA ALA A 33 -0.047 -6.179 -4.584 1.00 0.00 C ATOM 450 C ALA A 33 -1.092 -6.135 -3.474 1.00 0.00 C ATOM 451 O ALA A 33 -0.776 -6.339 -2.302 1.00 0.00 O ATOM 452 CB ALA A 33 0.031 -7.576 -5.183 1.00 0.00 C ATOM 0 H ALA A 33 1.631 -6.351 -3.340 1.00 0.00 H new ATOM 0 HA ALA A 33 -0.351 -5.478 -5.361 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -0.953 -7.871 -5.548 1.00 0.00 H new ATOM 0 HB2 ALA A 33 0.741 -7.578 -6.010 1.00 0.00 H new ATOM 0 HB3 ALA A 33 0.361 -8.281 -4.420 1.00 0.00 H new ATOM 458 N VAL A 34 -2.338 -5.866 -3.851 1.00 0.00 N ATOM 459 CA VAL A 34 -3.430 -5.795 -2.888 1.00 0.00 C ATOM 460 C VAL A 34 -4.500 -6.837 -3.191 1.00 0.00 C ATOM 461 O VAL A 34 -5.289 -6.677 -4.122 1.00 0.00 O ATOM 462 CB VAL A 34 -4.078 -4.398 -2.876 1.00 0.00 C ATOM 463 CG1 VAL A 34 -5.229 -4.351 -1.882 1.00 0.00 C ATOM 464 CG2 VAL A 34 -3.041 -3.332 -2.554 1.00 0.00 C ATOM 0 H VAL A 34 -2.616 -5.694 -4.817 1.00 0.00 H new ATOM 0 HA VAL A 34 -2.999 -5.996 -1.907 1.00 0.00 H new ATOM 0 HB VAL A 34 -4.479 -4.194 -3.869 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -5.674 -3.356 -1.888 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -5.982 -5.087 -2.162 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -4.856 -4.576 -0.883 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -3.517 -2.351 -2.550 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -2.608 -3.530 -1.573 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -2.254 -3.350 -3.308 1.00 0.00 H new ATOM 474 N GLN A 35 -4.520 -7.905 -2.400 1.00 0.00 N ATOM 475 CA GLN A 35 -5.494 -8.974 -2.585 1.00 0.00 C ATOM 476 C GLN A 35 -6.894 -8.507 -2.204 1.00 0.00 C ATOM 477 O GLN A 35 -7.084 -7.852 -1.178 1.00 0.00 O ATOM 478 CB GLN A 35 -5.106 -10.196 -1.750 1.00 0.00 C ATOM 479 CG GLN A 35 -5.799 -11.476 -2.188 1.00 0.00 C ATOM 480 CD GLN A 35 -5.477 -12.652 -1.285 1.00 0.00 C ATOM 481 OE1 GLN A 35 -6.372 -13.272 -0.711 1.00 0.00 O ATOM 482 NE2 GLN A 35 -4.193 -12.965 -1.156 1.00 0.00 N ATOM 0 H GLN A 35 -3.873 -8.053 -1.625 1.00 0.00 H new ATOM 0 HA GLN A 35 -5.498 -9.249 -3.640 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -4.027 -10.338 -1.809 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -5.345 -10.002 -0.704 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -6.877 -11.316 -2.199 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -5.502 -11.715 -3.209 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -3.484 -12.424 -1.651 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -3.916 -13.747 -0.562 1.00 0.00 H new ATOM 491 N LEU A 36 -7.873 -8.846 -3.036 1.00 0.00 N ATOM 492 CA LEU A 36 -9.257 -8.461 -2.787 1.00 0.00 C ATOM 493 C LEU A 36 -9.969 -9.507 -1.934 1.00 0.00 C ATOM 494 O LEU A 36 -10.944 -9.204 -1.248 1.00 0.00 O ATOM 495 CB LEU A 36 -10.001 -8.274 -4.111 1.00 0.00 C ATOM 496 CG LEU A 36 -9.226 -7.567 -5.223 1.00 0.00 C ATOM 497 CD1 LEU A 36 -9.974 -7.668 -6.543 1.00 0.00 C ATOM 498 CD2 LEU A 36 -8.978 -6.111 -4.858 1.00 0.00 C ATOM 0 H LEU A 36 -7.733 -9.387 -3.889 1.00 0.00 H new ATOM 0 HA LEU A 36 -9.253 -7.517 -2.243 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -10.305 -9.255 -4.475 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -10.913 -7.710 -3.916 1.00 0.00 H new ATOM 0 HG LEU A 36 -8.261 -8.061 -5.338 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -9.407 -7.159 -7.322 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -10.099 -8.717 -6.811 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -10.953 -7.200 -6.443 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -8.425 -5.624 -5.661 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -9.932 -5.604 -4.715 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -8.399 -6.061 -3.936 1.00 0.00 H new ATOM 510 N ASN A 37 -9.472 -10.739 -1.981 1.00 0.00 N ATOM 511 CA ASN A 37 -10.059 -11.829 -1.212 1.00 0.00 C ATOM 512 C ASN A 37 -11.573 -11.869 -1.392 1.00 0.00 C ATOM 513 O ASN A 37 -12.307 -12.248 -0.481 1.00 0.00 O ATOM 514 CB ASN A 37 -9.714 -11.678 0.271 1.00 0.00 C ATOM 515 CG ASN A 37 -8.250 -11.955 0.556 1.00 0.00 C ATOM 516 OD1 ASN A 37 -7.384 -11.035 0.147 1.00 0.00 O flip ATOM 517 ND2 ASN A 37 -7.903 -12.984 1.137 1.00 0.00 N flip ATOM 0 H ASN A 37 -8.664 -11.007 -2.544 1.00 0.00 H new ATOM 0 HA ASN A 37 -9.643 -12.766 -1.582 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -9.960 -10.667 0.597 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -10.331 -12.361 0.856 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -8.604 -13.663 1.433 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -6.915 -13.157 1.322 1.00 0.00 H new ATOM 524 N GLY A 38 -12.033 -11.475 -2.575 1.00 0.00 N ATOM 525 CA GLY A 38 -13.458 -11.473 -2.854 1.00 0.00 C ATOM 526 C GLY A 38 -13.929 -10.163 -3.454 1.00 0.00 C ATOM 527 O GLY A 38 -14.770 -10.151 -4.352 1.00 0.00 O ATOM 0 H GLY A 38 -11.445 -11.157 -3.345 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -13.692 -12.288 -3.539 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -14.006 -11.665 -1.931 1.00 0.00 H new ATOM 531 N ALA A 39 -13.388 -9.057 -2.955 1.00 0.00 N ATOM 532 CA ALA A 39 -13.759 -7.736 -3.447 1.00 0.00 C ATOM 533 C ALA A 39 -13.444 -7.596 -4.933 1.00 0.00 C ATOM 534 O ALA A 39 -12.473 -8.168 -5.428 1.00 0.00 O ATOM 535 CB ALA A 39 -13.043 -6.655 -2.650 1.00 0.00 C ATOM 0 H ALA A 39 -12.691 -9.049 -2.210 1.00 0.00 H new ATOM 0 HA ALA A 39 -14.834 -7.616 -3.317 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -13.330 -5.674 -3.028 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -13.321 -6.734 -1.599 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -11.965 -6.782 -2.751 1.00 0.00 H new ATOM 541 N ARG A 40 -14.272 -6.832 -5.639 1.00 0.00 N ATOM 542 CA ARG A 40 -14.083 -6.619 -7.068 1.00 0.00 C ATOM 543 C ARG A 40 -14.445 -5.189 -7.458 1.00 0.00 C ATOM 544 O ARG A 40 -15.617 -4.815 -7.465 1.00 0.00 O ATOM 545 CB ARG A 40 -14.932 -7.608 -7.870 1.00 0.00 C ATOM 546 CG ARG A 40 -14.315 -8.000 -9.202 1.00 0.00 C ATOM 547 CD ARG A 40 -14.504 -6.911 -10.247 1.00 0.00 C ATOM 548 NE ARG A 40 -15.743 -7.086 -11.000 1.00 0.00 N ATOM 549 CZ ARG A 40 -16.164 -6.234 -11.930 1.00 0.00 C ATOM 550 NH1 ARG A 40 -15.448 -5.156 -12.218 1.00 0.00 N ATOM 551 NH2 ARG A 40 -17.302 -6.462 -12.573 1.00 0.00 N ATOM 0 H ARG A 40 -15.080 -6.351 -5.244 1.00 0.00 H new ATOM 0 HA ARG A 40 -13.030 -6.784 -7.298 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -15.089 -8.507 -7.273 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -15.914 -7.169 -8.049 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -13.251 -8.196 -9.068 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -14.768 -8.927 -9.555 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -14.511 -5.937 -9.758 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -13.658 -6.917 -10.934 1.00 0.00 H new ATOM 0 HE ARG A 40 -16.316 -7.906 -10.802 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -14.572 -4.979 -11.726 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -15.773 -4.504 -12.932 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -17.854 -7.291 -12.354 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -17.625 -5.808 -13.286 1.00 0.00 H new ATOM 565 N GLY A 41 -13.429 -4.393 -7.780 1.00 0.00 N ATOM 566 CA GLY A 41 -13.661 -3.013 -8.165 1.00 0.00 C ATOM 567 C GLY A 41 -12.380 -2.291 -8.532 1.00 0.00 C ATOM 568 O GLY A 41 -11.489 -2.869 -9.154 1.00 0.00 O ATOM 0 H GLY A 41 -12.450 -4.679 -7.781 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -14.346 -2.986 -9.013 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -14.149 -2.487 -7.344 1.00 0.00 H new ATOM 572 N VAL A 42 -12.288 -1.022 -8.148 1.00 0.00 N ATOM 573 CA VAL A 42 -11.107 -0.219 -8.441 1.00 0.00 C ATOM 574 C VAL A 42 -10.376 0.172 -7.161 1.00 0.00 C ATOM 575 O VAL A 42 -10.997 0.583 -6.181 1.00 0.00 O ATOM 576 CB VAL A 42 -11.475 1.059 -9.219 1.00 0.00 C ATOM 577 CG1 VAL A 42 -10.231 1.700 -9.814 1.00 0.00 C ATOM 578 CG2 VAL A 42 -12.495 0.746 -10.303 1.00 0.00 C ATOM 0 H VAL A 42 -13.017 -0.528 -7.633 1.00 0.00 H new ATOM 0 HA VAL A 42 -10.452 -0.835 -9.057 1.00 0.00 H new ATOM 0 HB VAL A 42 -11.923 1.770 -8.525 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -10.511 2.601 -10.360 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -9.538 1.961 -9.014 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -9.750 0.998 -10.496 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -12.744 1.660 -10.843 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -12.076 0.017 -10.997 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -13.397 0.337 -9.847 1.00 0.00 H new ATOM 588 N ILE A 43 -9.054 0.041 -7.178 1.00 0.00 N ATOM 589 CA ILE A 43 -8.238 0.381 -6.019 1.00 0.00 C ATOM 590 C ILE A 43 -7.436 1.655 -6.266 1.00 0.00 C ATOM 591 O ILE A 43 -6.750 1.782 -7.281 1.00 0.00 O ATOM 592 CB ILE A 43 -7.269 -0.760 -5.658 1.00 0.00 C ATOM 593 CG1 ILE A 43 -8.050 -2.015 -5.262 1.00 0.00 C ATOM 594 CG2 ILE A 43 -6.341 -0.330 -4.532 1.00 0.00 C ATOM 595 CD1 ILE A 43 -8.663 -1.935 -3.881 1.00 0.00 C ATOM 0 H ILE A 43 -8.525 -0.298 -7.982 1.00 0.00 H new ATOM 0 HA ILE A 43 -8.923 0.541 -5.187 1.00 0.00 H new ATOM 0 HB ILE A 43 -6.663 -0.993 -6.533 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -8.841 -2.186 -5.992 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -7.384 -2.877 -5.306 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -5.662 -1.147 -4.288 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -5.764 0.539 -4.848 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -6.931 -0.074 -3.652 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -9.201 -2.859 -3.668 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -7.875 -1.795 -3.141 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -9.355 -1.094 -3.838 1.00 0.00 H new ATOM 607 N ASP A 44 -7.526 2.594 -5.332 1.00 0.00 N ATOM 608 CA ASP A 44 -6.807 3.858 -5.446 1.00 0.00 C ATOM 609 C ASP A 44 -5.588 3.874 -4.529 1.00 0.00 C ATOM 610 O ASP A 44 -5.635 3.366 -3.409 1.00 0.00 O ATOM 611 CB ASP A 44 -7.731 5.028 -5.107 1.00 0.00 C ATOM 612 CG ASP A 44 -9.057 4.949 -5.838 1.00 0.00 C ATOM 613 OD1 ASP A 44 -9.929 4.167 -5.403 1.00 0.00 O ATOM 614 OD2 ASP A 44 -9.224 5.670 -6.843 1.00 0.00 O ATOM 0 H ASP A 44 -8.090 2.504 -4.487 1.00 0.00 H new ATOM 0 HA ASP A 44 -6.466 3.962 -6.476 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -7.912 5.044 -4.032 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -7.235 5.965 -5.361 1.00 0.00 H new ATOM 619 N ALA A 45 -4.498 4.460 -5.012 1.00 0.00 N ATOM 620 CA ALA A 45 -3.267 4.543 -4.236 1.00 0.00 C ATOM 621 C ALA A 45 -2.670 5.945 -4.302 1.00 0.00 C ATOM 622 O ALA A 45 -2.268 6.408 -5.369 1.00 0.00 O ATOM 623 CB ALA A 45 -2.261 3.514 -4.730 1.00 0.00 C ATOM 0 H ALA A 45 -4.442 4.885 -5.938 1.00 0.00 H new ATOM 0 HA ALA A 45 -3.508 4.328 -3.195 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -1.347 3.587 -4.141 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -2.681 2.514 -4.624 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -2.033 3.702 -5.779 1.00 0.00 H new ATOM 629 N ARG A 46 -2.615 6.614 -3.156 1.00 0.00 N ATOM 630 CA ARG A 46 -2.068 7.964 -3.085 1.00 0.00 C ATOM 631 C ARG A 46 -1.135 8.110 -1.887 1.00 0.00 C ATOM 632 O ARG A 46 -1.515 7.825 -0.751 1.00 0.00 O ATOM 633 CB ARG A 46 -3.198 8.991 -2.992 1.00 0.00 C ATOM 634 CG ARG A 46 -3.879 9.269 -4.322 1.00 0.00 C ATOM 635 CD ARG A 46 -3.085 10.260 -5.159 1.00 0.00 C ATOM 636 NE ARG A 46 -3.423 11.643 -4.836 1.00 0.00 N ATOM 637 CZ ARG A 46 -4.578 12.213 -5.162 1.00 0.00 C ATOM 638 NH1 ARG A 46 -5.501 11.521 -5.816 1.00 0.00 N ATOM 639 NH2 ARG A 46 -4.812 13.477 -4.833 1.00 0.00 N ATOM 0 H ARG A 46 -2.942 6.244 -2.264 1.00 0.00 H new ATOM 0 HA ARG A 46 -1.495 8.145 -3.995 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -3.943 8.636 -2.279 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -2.798 9.924 -2.596 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -3.996 8.336 -4.874 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -4.880 9.662 -4.144 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -2.019 10.100 -4.996 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -3.277 10.077 -6.216 1.00 0.00 H new ATOM 0 HE ARG A 46 -2.735 12.202 -4.332 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -5.325 10.549 -6.070 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -6.387 11.961 -6.065 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -4.105 14.012 -4.329 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -5.699 13.913 -5.084 1.00 0.00 H new ATOM 653 N VAL A 47 0.090 8.556 -2.148 1.00 0.00 N ATOM 654 CA VAL A 47 1.078 8.741 -1.092 1.00 0.00 C ATOM 655 C VAL A 47 1.087 10.182 -0.594 1.00 0.00 C ATOM 656 O VAL A 47 0.934 11.122 -1.375 1.00 0.00 O ATOM 657 CB VAL A 47 2.492 8.368 -1.575 1.00 0.00 C ATOM 658 CG1 VAL A 47 2.645 6.857 -1.661 1.00 0.00 C ATOM 659 CG2 VAL A 47 2.786 9.019 -2.918 1.00 0.00 C ATOM 0 H VAL A 47 0.422 8.796 -3.082 1.00 0.00 H new ATOM 0 HA VAL A 47 0.795 8.079 -0.274 1.00 0.00 H new ATOM 0 HB VAL A 47 3.215 8.742 -0.850 1.00 0.00 H new ATOM 0 HG11 VAL A 47 3.650 6.612 -2.004 1.00 0.00 H new ATOM 0 HG12 VAL A 47 2.480 6.418 -0.677 1.00 0.00 H new ATOM 0 HG13 VAL A 47 1.914 6.457 -2.364 1.00 0.00 H new ATOM 0 HG21 VAL A 47 3.789 8.744 -3.244 1.00 0.00 H new ATOM 0 HG22 VAL A 47 2.059 8.677 -3.655 1.00 0.00 H new ATOM 0 HG23 VAL A 47 2.721 10.103 -2.819 1.00 0.00 H new ATOM 669 N HIS A 48 1.268 10.349 0.713 1.00 0.00 N ATOM 670 CA HIS A 48 1.298 11.677 1.316 1.00 0.00 C ATOM 671 C HIS A 48 2.650 11.945 1.971 1.00 0.00 C ATOM 672 O HIS A 48 3.032 11.275 2.930 1.00 0.00 O ATOM 673 CB HIS A 48 0.181 11.815 2.351 1.00 0.00 C ATOM 674 CG HIS A 48 -1.189 11.874 1.749 1.00 0.00 C ATOM 675 ND1 HIS A 48 -1.938 13.031 1.695 1.00 0.00 N ATOM 676 CD2 HIS A 48 -1.945 10.911 1.172 1.00 0.00 C ATOM 677 CE1 HIS A 48 -3.096 12.776 1.111 1.00 0.00 C ATOM 678 NE2 HIS A 48 -3.125 11.497 0.784 1.00 0.00 N ATOM 0 H HIS A 48 1.396 9.582 1.374 1.00 0.00 H new ATOM 0 HA HIS A 48 1.144 12.412 0.526 1.00 0.00 H new ATOM 0 HB2 HIS A 48 0.230 10.972 3.041 1.00 0.00 H new ATOM 0 HB3 HIS A 48 0.350 12.718 2.938 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -1.671 9.875 1.041 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -3.884 13.492 0.932 1.00 0.00 H new ATOM 0 HE2 HIS A 48 -3.898 11.021 0.319 1.00 0.00 H new ATOM 687 N THR A 49 3.371 12.931 1.445 1.00 0.00 N ATOM 688 CA THR A 49 4.681 13.287 1.977 1.00 0.00 C ATOM 689 C THR A 49 4.554 14.009 3.313 1.00 0.00 C ATOM 690 O THR A 49 3.564 14.687 3.588 1.00 0.00 O ATOM 691 CB THR A 49 5.461 14.181 0.995 1.00 0.00 C ATOM 692 OG1 THR A 49 4.847 15.472 0.915 1.00 0.00 O ATOM 693 CG2 THR A 49 5.511 13.551 -0.389 1.00 0.00 C ATOM 0 H THR A 49 3.070 13.497 0.652 1.00 0.00 H new ATOM 0 HA THR A 49 5.228 12.355 2.122 1.00 0.00 H new ATOM 0 HB THR A 49 6.481 14.286 1.366 1.00 0.00 H new ATOM 0 HG1 THR A 49 4.216 15.488 0.165 1.00 0.00 H new ATOM 0 HG21 THR A 49 6.067 14.201 -1.065 1.00 0.00 H new ATOM 0 HG22 THR A 49 6.005 12.581 -0.330 1.00 0.00 H new ATOM 0 HG23 THR A 49 4.497 13.419 -0.765 1.00 0.00 H new ATOM 701 N PRO A 50 5.580 13.862 4.165 1.00 0.00 N ATOM 702 CA PRO A 50 5.607 14.494 5.488 1.00 0.00 C ATOM 703 C PRO A 50 5.766 16.008 5.403 1.00 0.00 C ATOM 704 O PRO A 50 5.643 16.711 6.406 1.00 0.00 O ATOM 705 CB PRO A 50 6.831 13.863 6.157 1.00 0.00 C ATOM 706 CG PRO A 50 7.712 13.455 5.028 1.00 0.00 C ATOM 707 CD PRO A 50 6.792 13.067 3.903 1.00 0.00 C ATOM 0 HA PRO A 50 4.677 14.337 6.035 1.00 0.00 H new ATOM 0 HB2 PRO A 50 7.333 14.573 6.814 1.00 0.00 H new ATOM 0 HB3 PRO A 50 6.550 13.006 6.769 1.00 0.00 H new ATOM 0 HG2 PRO A 50 8.369 14.273 4.731 1.00 0.00 H new ATOM 0 HG3 PRO A 50 8.352 12.620 5.314 1.00 0.00 H new ATOM 0 HD2 PRO A 50 7.225 13.302 2.931 1.00 0.00 H new ATOM 0 HD3 PRO A 50 6.580 11.998 3.907 1.00 0.00 H new ATOM 715 N SER A 51 6.040 16.503 4.201 1.00 0.00 N ATOM 716 CA SER A 51 6.219 17.934 3.987 1.00 0.00 C ATOM 717 C SER A 51 4.872 18.634 3.834 1.00 0.00 C ATOM 718 O SER A 51 4.469 19.423 4.688 1.00 0.00 O ATOM 719 CB SER A 51 7.079 18.182 2.745 1.00 0.00 C ATOM 720 OG SER A 51 7.345 19.564 2.577 1.00 0.00 O ATOM 0 H SER A 51 6.143 15.935 3.360 1.00 0.00 H new ATOM 0 HA SER A 51 6.726 18.346 4.860 1.00 0.00 H new ATOM 0 HB2 SER A 51 8.018 17.636 2.834 1.00 0.00 H new ATOM 0 HB3 SER A 51 6.569 17.797 1.862 1.00 0.00 H new ATOM 0 HG SER A 51 7.897 19.696 1.778 1.00 0.00 H new ATOM 726 N GLY A 52 4.179 18.338 2.738 1.00 0.00 N ATOM 727 CA GLY A 52 2.885 18.946 2.492 1.00 0.00 C ATOM 728 C GLY A 52 2.511 18.940 1.023 1.00 0.00 C ATOM 729 O GLY A 52 1.848 19.857 0.541 1.00 0.00 O ATOM 0 H GLY A 52 4.491 17.688 2.017 1.00 0.00 H new ATOM 0 HA2 GLY A 52 2.123 18.413 3.060 1.00 0.00 H new ATOM 0 HA3 GLY A 52 2.894 19.973 2.857 1.00 0.00 H new ATOM 733 N ALA A 53 2.937 17.902 0.311 1.00 0.00 N ATOM 734 CA ALA A 53 2.643 17.780 -1.112 1.00 0.00 C ATOM 735 C ALA A 53 2.026 16.422 -1.430 1.00 0.00 C ATOM 736 O ALA A 53 2.661 15.383 -1.248 1.00 0.00 O ATOM 737 CB ALA A 53 3.906 17.993 -1.932 1.00 0.00 C ATOM 0 H ALA A 53 3.487 17.134 0.696 1.00 0.00 H new ATOM 0 HA ALA A 53 1.918 18.550 -1.376 1.00 0.00 H new ATOM 0 HB1 ALA A 53 3.672 17.899 -2.992 1.00 0.00 H new ATOM 0 HB2 ALA A 53 4.304 18.988 -1.735 1.00 0.00 H new ATOM 0 HB3 ALA A 53 4.649 17.244 -1.657 1.00 0.00 H new ATOM 743 N VAL A 54 0.785 16.437 -1.905 1.00 0.00 N ATOM 744 CA VAL A 54 0.083 15.207 -2.249 1.00 0.00 C ATOM 745 C VAL A 54 0.641 14.594 -3.528 1.00 0.00 C ATOM 746 O VAL A 54 0.479 15.148 -4.615 1.00 0.00 O ATOM 747 CB VAL A 54 -1.427 15.453 -2.428 1.00 0.00 C ATOM 748 CG1 VAL A 54 -2.147 14.151 -2.743 1.00 0.00 C ATOM 749 CG2 VAL A 54 -2.010 16.108 -1.184 1.00 0.00 C ATOM 0 H VAL A 54 0.245 17.288 -2.060 1.00 0.00 H new ATOM 0 HA VAL A 54 0.236 14.515 -1.421 1.00 0.00 H new ATOM 0 HB VAL A 54 -1.570 16.131 -3.269 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -3.213 14.345 -2.866 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -1.747 13.727 -3.664 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -1.999 13.446 -1.925 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -3.078 16.275 -1.327 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -1.857 15.456 -0.324 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -1.514 17.063 -1.009 1.00 0.00 H new ATOM 759 N GLU A 55 1.300 13.448 -3.390 1.00 0.00 N ATOM 760 CA GLU A 55 1.883 12.760 -4.536 1.00 0.00 C ATOM 761 C GLU A 55 0.934 11.691 -5.071 1.00 0.00 C ATOM 762 O GLU A 55 0.023 11.251 -4.371 1.00 0.00 O ATOM 763 CB GLU A 55 3.220 12.123 -4.151 1.00 0.00 C ATOM 764 CG GLU A 55 4.411 13.051 -4.332 1.00 0.00 C ATOM 765 CD GLU A 55 5.733 12.365 -4.045 1.00 0.00 C ATOM 766 OE1 GLU A 55 5.932 11.232 -4.531 1.00 0.00 O ATOM 767 OE2 GLU A 55 6.568 12.963 -3.335 1.00 0.00 O ATOM 0 H GLU A 55 1.443 12.977 -2.497 1.00 0.00 H new ATOM 0 HA GLU A 55 2.052 13.497 -5.321 1.00 0.00 H new ATOM 0 HB2 GLU A 55 3.174 11.803 -3.110 1.00 0.00 H new ATOM 0 HB3 GLU A 55 3.373 11.227 -4.753 1.00 0.00 H new ATOM 0 HG2 GLU A 55 4.418 13.433 -5.353 1.00 0.00 H new ATOM 0 HG3 GLU A 55 4.301 13.911 -3.671 1.00 0.00 H new ATOM 774 N GLU A 56 1.155 11.280 -6.315 1.00 0.00 N ATOM 775 CA GLU A 56 0.319 10.265 -6.944 1.00 0.00 C ATOM 776 C GLU A 56 1.101 8.973 -7.160 1.00 0.00 C ATOM 777 O GLU A 56 2.329 8.988 -7.262 1.00 0.00 O ATOM 778 CB GLU A 56 -0.225 10.775 -8.280 1.00 0.00 C ATOM 779 CG GLU A 56 0.720 11.724 -8.998 1.00 0.00 C ATOM 780 CD GLU A 56 0.156 12.222 -10.315 1.00 0.00 C ATOM 781 OE1 GLU A 56 -0.487 11.422 -11.026 1.00 0.00 O ATOM 782 OE2 GLU A 56 0.358 13.412 -10.634 1.00 0.00 O ATOM 0 H GLU A 56 1.906 11.634 -6.907 1.00 0.00 H new ATOM 0 HA GLU A 56 -0.517 10.056 -6.277 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -0.433 9.923 -8.927 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -1.174 11.282 -8.107 1.00 0.00 H new ATOM 0 HG2 GLU A 56 0.933 12.576 -8.353 1.00 0.00 H new ATOM 0 HG3 GLU A 56 1.668 11.218 -9.181 1.00 0.00 H new ATOM 789 N CYS A 57 0.383 7.858 -7.229 1.00 0.00 N ATOM 790 CA CYS A 57 1.009 6.556 -7.433 1.00 0.00 C ATOM 791 C CYS A 57 0.611 5.965 -8.781 1.00 0.00 C ATOM 792 O CYS A 57 -0.173 6.558 -9.523 1.00 0.00 O ATOM 793 CB CYS A 57 0.619 5.597 -6.307 1.00 0.00 C ATOM 794 SG CYS A 57 1.082 6.170 -4.656 1.00 0.00 S ATOM 0 H CYS A 57 -0.633 7.829 -7.147 1.00 0.00 H new ATOM 0 HA CYS A 57 2.090 6.696 -7.424 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -0.459 5.439 -6.336 1.00 0.00 H new ATOM 0 HB3 CYS A 57 1.088 4.630 -6.489 1.00 0.00 H new ATOM 0 HG CYS A 57 1.783 5.253 -4.059 1.00 0.00 H new ATOM 800 N TYR A 58 1.157 4.795 -9.093 1.00 0.00 N ATOM 801 CA TYR A 58 0.862 4.126 -10.355 1.00 0.00 C ATOM 802 C TYR A 58 0.078 2.839 -10.118 1.00 0.00 C ATOM 803 O TYR A 58 0.594 1.880 -9.544 1.00 0.00 O ATOM 804 CB TYR A 58 2.157 3.817 -11.107 1.00 0.00 C ATOM 805 CG TYR A 58 1.952 3.548 -12.581 1.00 0.00 C ATOM 806 CD1 TYR A 58 1.873 4.593 -13.493 1.00 0.00 C ATOM 807 CD2 TYR A 58 1.837 2.249 -13.061 1.00 0.00 C ATOM 808 CE1 TYR A 58 1.685 4.352 -14.841 1.00 0.00 C ATOM 809 CE2 TYR A 58 1.650 1.999 -14.407 1.00 0.00 C ATOM 810 CZ TYR A 58 1.574 3.054 -15.292 1.00 0.00 C ATOM 811 OH TYR A 58 1.388 2.809 -16.634 1.00 0.00 O ATOM 0 H TYR A 58 1.806 4.290 -8.490 1.00 0.00 H new ATOM 0 HA TYR A 58 0.251 4.796 -10.959 1.00 0.00 H new ATOM 0 HB2 TYR A 58 2.843 4.656 -10.991 1.00 0.00 H new ATOM 0 HB3 TYR A 58 2.634 2.950 -10.651 1.00 0.00 H new ATOM 0 HD1 TYR A 58 1.960 5.611 -13.143 1.00 0.00 H new ATOM 0 HD2 TYR A 58 1.895 1.421 -12.370 1.00 0.00 H new ATOM 0 HE1 TYR A 58 1.625 5.176 -15.537 1.00 0.00 H new ATOM 0 HE2 TYR A 58 1.564 0.983 -14.764 1.00 0.00 H new ATOM 0 HH TYR A 58 1.331 1.842 -16.785 1.00 0.00 H new ATOM 821 N VAL A 59 -1.174 2.826 -10.566 1.00 0.00 N ATOM 822 CA VAL A 59 -2.030 1.657 -10.406 1.00 0.00 C ATOM 823 C VAL A 59 -2.766 1.333 -11.701 1.00 0.00 C ATOM 824 O VAL A 59 -3.788 1.942 -12.016 1.00 0.00 O ATOM 825 CB VAL A 59 -3.062 1.867 -9.282 1.00 0.00 C ATOM 826 CG1 VAL A 59 -3.652 3.267 -9.353 1.00 0.00 C ATOM 827 CG2 VAL A 59 -4.156 0.813 -9.359 1.00 0.00 C ATOM 0 H VAL A 59 -1.617 3.612 -11.042 1.00 0.00 H new ATOM 0 HA VAL A 59 -1.380 0.823 -10.142 1.00 0.00 H new ATOM 0 HB VAL A 59 -2.555 1.761 -8.323 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -4.379 3.397 -8.551 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -2.856 4.003 -9.244 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -4.145 3.406 -10.315 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -4.876 0.977 -8.557 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -4.662 0.884 -10.322 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -3.715 -0.178 -9.253 1.00 0.00 H new ATOM 837 N SER A 60 -2.239 0.369 -12.450 1.00 0.00 N ATOM 838 CA SER A 60 -2.843 -0.035 -13.714 1.00 0.00 C ATOM 839 C SER A 60 -4.156 -0.776 -13.476 1.00 0.00 C ATOM 840 O SER A 60 -4.503 -1.095 -12.339 1.00 0.00 O ATOM 841 CB SER A 60 -1.880 -0.922 -14.504 1.00 0.00 C ATOM 842 OG SER A 60 -2.089 -0.786 -15.899 1.00 0.00 O ATOM 0 H SER A 60 -1.394 -0.147 -12.203 1.00 0.00 H new ATOM 0 HA SER A 60 -3.053 0.865 -14.292 1.00 0.00 H new ATOM 0 HB2 SER A 60 -0.852 -0.656 -14.260 1.00 0.00 H new ATOM 0 HB3 SER A 60 -2.017 -1.963 -14.212 1.00 0.00 H new ATOM 0 HG SER A 60 -1.460 -1.362 -16.382 1.00 0.00 H new ATOM 848 N GLU A 61 -4.880 -1.047 -14.558 1.00 0.00 N ATOM 849 CA GLU A 61 -6.154 -1.749 -14.467 1.00 0.00 C ATOM 850 C GLU A 61 -6.011 -3.032 -13.653 1.00 0.00 C ATOM 851 O GLU A 61 -4.899 -3.482 -13.371 1.00 0.00 O ATOM 852 CB GLU A 61 -6.682 -2.076 -15.865 1.00 0.00 C ATOM 853 CG GLU A 61 -5.756 -2.969 -16.673 1.00 0.00 C ATOM 854 CD GLU A 61 -6.161 -3.065 -18.130 1.00 0.00 C ATOM 855 OE1 GLU A 61 -6.024 -2.055 -18.852 1.00 0.00 O ATOM 856 OE2 GLU A 61 -6.617 -4.149 -18.550 1.00 0.00 O ATOM 0 H GLU A 61 -4.606 -0.791 -15.507 1.00 0.00 H new ATOM 0 HA GLU A 61 -6.865 -1.095 -13.961 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -7.653 -2.563 -15.773 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -6.843 -1.146 -16.410 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -4.738 -2.584 -16.608 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -5.748 -3.967 -16.236 1.00 0.00 H new ATOM 863 N LEU A 62 -7.143 -3.616 -13.277 1.00 0.00 N ATOM 864 CA LEU A 62 -7.146 -4.847 -12.495 1.00 0.00 C ATOM 865 C LEU A 62 -6.613 -6.016 -13.317 1.00 0.00 C ATOM 866 O LEU A 62 -7.225 -6.424 -14.304 1.00 0.00 O ATOM 867 CB LEU A 62 -8.560 -5.159 -12.002 1.00 0.00 C ATOM 868 CG LEU A 62 -8.776 -6.557 -11.422 1.00 0.00 C ATOM 869 CD1 LEU A 62 -8.423 -6.582 -9.943 1.00 0.00 C ATOM 870 CD2 LEU A 62 -10.214 -7.007 -11.636 1.00 0.00 C ATOM 0 H LEU A 62 -8.071 -3.257 -13.501 1.00 0.00 H new ATOM 0 HA LEU A 62 -6.492 -4.703 -11.635 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -8.827 -4.426 -11.241 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -9.251 -5.022 -12.833 1.00 0.00 H new ATOM 0 HG LEU A 62 -8.117 -7.251 -11.944 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -8.583 -7.585 -9.548 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -7.377 -6.304 -9.814 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -9.056 -5.875 -9.406 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -10.349 -8.004 -11.217 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -10.891 -6.310 -11.141 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -10.433 -7.029 -12.703 1.00 0.00 H new ATOM 882 N ASP A 63 -5.471 -6.552 -12.901 1.00 0.00 N ATOM 883 CA ASP A 63 -4.856 -7.677 -13.597 1.00 0.00 C ATOM 884 C ASP A 63 -4.823 -8.915 -12.706 1.00 0.00 C ATOM 885 O ASP A 63 -4.401 -8.850 -11.552 1.00 0.00 O ATOM 886 CB ASP A 63 -3.438 -7.316 -14.043 1.00 0.00 C ATOM 887 CG ASP A 63 -3.409 -6.104 -14.954 1.00 0.00 C ATOM 888 OD1 ASP A 63 -4.339 -5.276 -14.869 1.00 0.00 O ATOM 889 OD2 ASP A 63 -2.455 -5.985 -15.752 1.00 0.00 O ATOM 0 H ASP A 63 -4.952 -6.226 -12.086 1.00 0.00 H new ATOM 0 HA ASP A 63 -5.459 -7.901 -14.477 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -2.822 -7.122 -13.165 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -2.995 -8.167 -14.561 1.00 0.00 H new ATOM 894 N SER A 64 -5.272 -10.042 -13.250 1.00 0.00 N ATOM 895 CA SER A 64 -5.298 -11.293 -12.503 1.00 0.00 C ATOM 896 C SER A 64 -6.050 -11.124 -11.186 1.00 0.00 C ATOM 897 O SER A 64 -5.702 -11.738 -10.177 1.00 0.00 O ATOM 898 CB SER A 64 -3.874 -11.780 -12.231 1.00 0.00 C ATOM 899 OG SER A 64 -3.305 -12.364 -13.390 1.00 0.00 O ATOM 0 H SER A 64 -5.622 -10.114 -14.205 1.00 0.00 H new ATOM 0 HA SER A 64 -5.819 -12.036 -13.106 1.00 0.00 H new ATOM 0 HB2 SER A 64 -3.257 -10.944 -11.901 1.00 0.00 H new ATOM 0 HB3 SER A 64 -3.884 -12.509 -11.420 1.00 0.00 H new ATOM 0 HG SER A 64 -2.394 -12.666 -13.191 1.00 0.00 H new ATOM 905 N ASP A 65 -7.082 -10.288 -11.204 1.00 0.00 N ATOM 906 CA ASP A 65 -7.885 -10.038 -10.013 1.00 0.00 C ATOM 907 C ASP A 65 -7.030 -9.448 -8.896 1.00 0.00 C ATOM 908 O ASP A 65 -7.173 -9.814 -7.729 1.00 0.00 O ATOM 909 CB ASP A 65 -8.546 -11.332 -9.536 1.00 0.00 C ATOM 910 CG ASP A 65 -9.469 -11.110 -8.355 1.00 0.00 C ATOM 911 OD1 ASP A 65 -10.076 -10.021 -8.273 1.00 0.00 O ATOM 912 OD2 ASP A 65 -9.585 -12.023 -7.511 1.00 0.00 O ATOM 0 H ASP A 65 -7.382 -9.772 -12.031 1.00 0.00 H new ATOM 0 HA ASP A 65 -8.661 -9.318 -10.273 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -9.112 -11.772 -10.358 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -7.774 -12.050 -9.260 1.00 0.00 H new ATOM 917 N LYS A 66 -6.138 -8.533 -9.261 1.00 0.00 N ATOM 918 CA LYS A 66 -5.259 -7.891 -8.291 1.00 0.00 C ATOM 919 C LYS A 66 -4.756 -6.550 -8.816 1.00 0.00 C ATOM 920 O LYS A 66 -4.570 -6.374 -10.021 1.00 0.00 O ATOM 921 CB LYS A 66 -4.073 -8.801 -7.966 1.00 0.00 C ATOM 922 CG LYS A 66 -4.454 -10.037 -7.170 1.00 0.00 C ATOM 923 CD LYS A 66 -3.260 -10.612 -6.427 1.00 0.00 C ATOM 924 CE LYS A 66 -3.386 -12.118 -6.250 1.00 0.00 C ATOM 925 NZ LYS A 66 -4.239 -12.469 -5.081 1.00 0.00 N ATOM 0 H LYS A 66 -6.005 -8.219 -10.222 1.00 0.00 H new ATOM 0 HA LYS A 66 -5.832 -7.713 -7.381 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -3.598 -9.111 -8.897 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -3.332 -8.232 -7.404 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -5.240 -9.784 -6.458 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -4.863 -10.792 -7.842 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -2.345 -10.384 -6.974 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -3.174 -10.136 -5.450 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -3.810 -12.556 -7.154 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -2.395 -12.553 -6.120 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -4.426 -13.492 -5.082 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -3.748 -12.208 -4.202 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -5.140 -11.953 -5.141 1.00 0.00 H new ATOM 939 N HIS A 67 -4.536 -5.607 -7.905 1.00 0.00 N ATOM 940 CA HIS A 67 -4.052 -4.282 -8.277 1.00 0.00 C ATOM 941 C HIS A 67 -2.597 -4.098 -7.857 1.00 0.00 C ATOM 942 O HIS A 67 -2.234 -4.353 -6.708 1.00 0.00 O ATOM 943 CB HIS A 67 -4.922 -3.200 -7.637 1.00 0.00 C ATOM 944 CG HIS A 67 -6.242 -3.012 -8.319 1.00 0.00 C ATOM 945 ND1 HIS A 67 -6.378 -2.369 -9.531 1.00 0.00 N ATOM 946 CD2 HIS A 67 -7.490 -3.388 -7.952 1.00 0.00 C ATOM 947 CE1 HIS A 67 -7.652 -2.356 -9.880 1.00 0.00 C ATOM 948 NE2 HIS A 67 -8.348 -2.969 -8.939 1.00 0.00 N ATOM 0 H HIS A 67 -4.685 -5.736 -6.904 1.00 0.00 H new ATOM 0 HA HIS A 67 -4.112 -4.191 -9.361 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -5.096 -3.456 -6.592 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -4.379 -2.255 -7.648 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -7.760 -3.919 -7.051 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -8.056 -1.919 -10.781 1.00 0.00 H new ATOM 0 HE2 HIS A 67 -9.358 -3.108 -8.945 1.00 0.00 H new ATOM 957 N THR A 68 -1.767 -3.652 -8.794 1.00 0.00 N ATOM 958 CA THR A 68 -0.352 -3.435 -8.522 1.00 0.00 C ATOM 959 C THR A 68 -0.043 -1.950 -8.370 1.00 0.00 C ATOM 960 O THR A 68 -0.429 -1.137 -9.210 1.00 0.00 O ATOM 961 CB THR A 68 0.532 -4.020 -9.640 1.00 0.00 C ATOM 962 OG1 THR A 68 0.343 -5.437 -9.723 1.00 0.00 O ATOM 963 CG2 THR A 68 2.000 -3.713 -9.385 1.00 0.00 C ATOM 0 H THR A 68 -2.051 -3.434 -9.749 1.00 0.00 H new ATOM 0 HA THR A 68 -0.128 -3.948 -7.587 1.00 0.00 H new ATOM 0 HB THR A 68 0.239 -3.559 -10.583 1.00 0.00 H new ATOM 0 HG1 THR A 68 0.907 -5.801 -10.437 1.00 0.00 H new ATOM 0 HG21 THR A 68 2.605 -4.136 -10.187 1.00 0.00 H new ATOM 0 HG22 THR A 68 2.145 -2.633 -9.351 1.00 0.00 H new ATOM 0 HG23 THR A 68 2.303 -4.150 -8.433 1.00 0.00 H new ATOM 971 N ILE A 69 0.656 -1.603 -7.294 1.00 0.00 N ATOM 972 CA ILE A 69 1.018 -0.215 -7.034 1.00 0.00 C ATOM 973 C ILE A 69 2.518 0.003 -7.204 1.00 0.00 C ATOM 974 O ILE A 69 3.321 -0.883 -6.912 1.00 0.00 O ATOM 975 CB ILE A 69 0.605 0.217 -5.614 1.00 0.00 C ATOM 976 CG1 ILE A 69 -0.689 -0.484 -5.200 1.00 0.00 C ATOM 977 CG2 ILE A 69 0.440 1.728 -5.549 1.00 0.00 C ATOM 978 CD1 ILE A 69 -1.917 0.044 -5.908 1.00 0.00 C ATOM 0 H ILE A 69 0.983 -2.264 -6.589 1.00 0.00 H new ATOM 0 HA ILE A 69 0.480 0.394 -7.761 1.00 0.00 H new ATOM 0 HB ILE A 69 1.391 -0.074 -4.918 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -0.595 -1.551 -5.401 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -0.824 -0.373 -4.124 1.00 0.00 H new ATOM 0 HG21 ILE A 69 0.148 2.019 -4.540 1.00 0.00 H new ATOM 0 HG22 ILE A 69 1.384 2.208 -5.807 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -0.330 2.041 -6.254 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -2.797 -0.500 -5.565 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -2.037 1.105 -5.687 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -1.803 -0.092 -6.984 1.00 0.00 H new ATOM 990 N ARG A 70 2.888 1.188 -7.676 1.00 0.00 N ATOM 991 CA ARG A 70 4.291 1.524 -7.884 1.00 0.00 C ATOM 992 C ARG A 70 4.544 3.003 -7.607 1.00 0.00 C ATOM 993 O ARG A 70 3.932 3.874 -8.225 1.00 0.00 O ATOM 994 CB ARG A 70 4.712 1.183 -9.315 1.00 0.00 C ATOM 995 CG ARG A 70 6.211 0.988 -9.479 1.00 0.00 C ATOM 996 CD ARG A 70 6.535 0.187 -10.730 1.00 0.00 C ATOM 997 NE ARG A 70 6.647 1.039 -11.911 1.00 0.00 N ATOM 998 CZ ARG A 70 6.868 0.573 -13.135 1.00 0.00 C ATOM 999 NH1 ARG A 70 7.001 -0.731 -13.338 1.00 0.00 N ATOM 1000 NH2 ARG A 70 6.957 1.411 -14.160 1.00 0.00 N ATOM 0 H ARG A 70 2.235 1.932 -7.922 1.00 0.00 H new ATOM 0 HA ARG A 70 4.886 0.935 -7.186 1.00 0.00 H new ATOM 0 HB2 ARG A 70 4.199 0.274 -9.629 1.00 0.00 H new ATOM 0 HB3 ARG A 70 4.383 1.980 -9.981 1.00 0.00 H new ATOM 0 HG2 ARG A 70 6.702 1.960 -9.531 1.00 0.00 H new ATOM 0 HG3 ARG A 70 6.610 0.475 -8.604 1.00 0.00 H new ATOM 0 HD2 ARG A 70 7.470 -0.353 -10.583 1.00 0.00 H new ATOM 0 HD3 ARG A 70 5.758 -0.560 -10.894 1.00 0.00 H new ATOM 0 HE ARG A 70 6.550 2.047 -11.789 1.00 0.00 H new ATOM 0 HH11 ARG A 70 6.934 -1.379 -12.553 1.00 0.00 H new ATOM 0 HH12 ARG A 70 7.171 -1.086 -14.279 1.00 0.00 H new ATOM 0 HH21 ARG A 70 6.856 2.415 -14.009 1.00 0.00 H new ATOM 0 HH22 ARG A 70 7.127 1.052 -15.099 1.00 0.00 H new ATOM 1014 N PHE A 71 5.449 3.278 -6.674 1.00 0.00 N ATOM 1015 CA PHE A 71 5.782 4.652 -6.313 1.00 0.00 C ATOM 1016 C PHE A 71 7.141 4.719 -5.623 1.00 0.00 C ATOM 1017 O PHE A 71 7.517 3.811 -4.881 1.00 0.00 O ATOM 1018 CB PHE A 71 4.703 5.237 -5.400 1.00 0.00 C ATOM 1019 CG PHE A 71 4.376 4.364 -4.222 1.00 0.00 C ATOM 1020 CD1 PHE A 71 5.295 4.182 -3.201 1.00 0.00 C ATOM 1021 CD2 PHE A 71 3.150 3.724 -4.136 1.00 0.00 C ATOM 1022 CE1 PHE A 71 4.997 3.380 -2.116 1.00 0.00 C ATOM 1023 CE2 PHE A 71 2.847 2.921 -3.053 1.00 0.00 C ATOM 1024 CZ PHE A 71 3.772 2.748 -2.043 1.00 0.00 C ATOM 0 H PHE A 71 5.965 2.568 -6.154 1.00 0.00 H new ATOM 0 HA PHE A 71 5.831 5.241 -7.229 1.00 0.00 H new ATOM 0 HB2 PHE A 71 5.033 6.211 -5.039 1.00 0.00 H new ATOM 0 HB3 PHE A 71 3.796 5.403 -5.982 1.00 0.00 H new ATOM 0 HD1 PHE A 71 6.256 4.673 -3.254 1.00 0.00 H new ATOM 0 HD2 PHE A 71 2.423 3.854 -4.924 1.00 0.00 H new ATOM 0 HE1 PHE A 71 5.722 3.248 -1.326 1.00 0.00 H new ATOM 0 HE2 PHE A 71 1.887 2.429 -2.997 1.00 0.00 H new ATOM 0 HZ PHE A 71 3.538 2.119 -1.197 1.00 0.00 H new ATOM 1034 N ILE A 72 7.872 5.799 -5.872 1.00 0.00 N ATOM 1035 CA ILE A 72 9.188 5.985 -5.275 1.00 0.00 C ATOM 1036 C ILE A 72 9.189 7.159 -4.301 1.00 0.00 C ATOM 1037 O ILE A 72 8.804 8.279 -4.640 1.00 0.00 O ATOM 1038 CB ILE A 72 10.266 6.223 -6.349 1.00 0.00 C ATOM 1039 CG1 ILE A 72 10.498 4.946 -7.160 1.00 0.00 C ATOM 1040 CG2 ILE A 72 11.562 6.690 -5.704 1.00 0.00 C ATOM 1041 CD1 ILE A 72 11.216 5.185 -8.470 1.00 0.00 C ATOM 0 H ILE A 72 7.575 6.559 -6.484 1.00 0.00 H new ATOM 0 HA ILE A 72 9.421 5.067 -4.735 1.00 0.00 H new ATOM 0 HB ILE A 72 9.918 7.003 -7.026 1.00 0.00 H new ATOM 0 HG12 ILE A 72 11.077 4.244 -6.560 1.00 0.00 H new ATOM 0 HG13 ILE A 72 9.537 4.474 -7.363 1.00 0.00 H new ATOM 0 HG21 ILE A 72 12.314 6.854 -6.476 1.00 0.00 H new ATOM 0 HG22 ILE A 72 11.386 7.621 -5.166 1.00 0.00 H new ATOM 0 HG23 ILE A 72 11.916 5.930 -5.008 1.00 0.00 H new ATOM 0 HD11 ILE A 72 11.346 4.237 -8.992 1.00 0.00 H new ATOM 0 HD12 ILE A 72 10.627 5.862 -9.089 1.00 0.00 H new ATOM 0 HD13 ILE A 72 12.192 5.629 -8.274 1.00 0.00 H new ATOM 1053 N PRO A 73 9.633 6.901 -3.063 1.00 0.00 N ATOM 1054 CA PRO A 73 9.698 7.924 -2.015 1.00 0.00 C ATOM 1055 C PRO A 73 10.775 8.967 -2.289 1.00 0.00 C ATOM 1056 O PRO A 73 11.953 8.749 -2.003 1.00 0.00 O ATOM 1057 CB PRO A 73 10.038 7.122 -0.756 1.00 0.00 C ATOM 1058 CG PRO A 73 10.734 5.905 -1.259 1.00 0.00 C ATOM 1059 CD PRO A 73 10.108 5.589 -2.589 1.00 0.00 C ATOM 0 HA PRO A 73 8.769 8.489 -1.939 1.00 0.00 H new ATOM 0 HB2 PRO A 73 10.677 7.694 -0.083 1.00 0.00 H new ATOM 0 HB3 PRO A 73 9.139 6.862 -0.198 1.00 0.00 H new ATOM 0 HG2 PRO A 73 11.804 6.083 -1.364 1.00 0.00 H new ATOM 0 HG3 PRO A 73 10.616 5.073 -0.565 1.00 0.00 H new ATOM 0 HD2 PRO A 73 10.829 5.150 -3.278 1.00 0.00 H new ATOM 0 HD3 PRO A 73 9.289 4.877 -2.489 1.00 0.00 H new ATOM 1067 N HIS A 74 10.365 10.103 -2.846 1.00 0.00 N ATOM 1068 CA HIS A 74 11.296 11.181 -3.158 1.00 0.00 C ATOM 1069 C HIS A 74 11.823 11.831 -1.882 1.00 0.00 C ATOM 1070 O HIS A 74 12.694 12.699 -1.930 1.00 0.00 O ATOM 1071 CB HIS A 74 10.617 12.232 -4.036 1.00 0.00 C ATOM 1072 CG HIS A 74 10.232 11.723 -5.391 1.00 0.00 C ATOM 1073 ND1 HIS A 74 11.153 11.316 -6.332 1.00 0.00 N ATOM 1074 CD2 HIS A 74 9.015 11.553 -5.960 1.00 0.00 C ATOM 1075 CE1 HIS A 74 10.521 10.920 -7.422 1.00 0.00 C ATOM 1076 NE2 HIS A 74 9.222 11.053 -7.222 1.00 0.00 N ATOM 0 H HIS A 74 9.394 10.300 -3.090 1.00 0.00 H new ATOM 0 HA HIS A 74 12.138 10.753 -3.702 1.00 0.00 H new ATOM 0 HB2 HIS A 74 9.725 12.597 -3.527 1.00 0.00 H new ATOM 0 HB3 HIS A 74 11.288 13.083 -4.154 1.00 0.00 H new ATOM 0 HD2 HIS A 74 8.060 11.770 -5.506 1.00 0.00 H new ATOM 0 HE1 HIS A 74 10.987 10.550 -8.323 1.00 0.00 H new ATOM 0 HE2 HIS A 74 8.492 10.822 -7.895 1.00 0.00 H new ATOM 1085 N GLU A 75 11.287 11.405 -0.742 1.00 0.00 N ATOM 1086 CA GLU A 75 11.703 11.947 0.546 1.00 0.00 C ATOM 1087 C GLU A 75 11.499 10.923 1.659 1.00 0.00 C ATOM 1088 O GLU A 75 10.544 10.147 1.635 1.00 0.00 O ATOM 1089 CB GLU A 75 10.921 13.223 0.863 1.00 0.00 C ATOM 1090 CG GLU A 75 11.039 13.665 2.312 1.00 0.00 C ATOM 1091 CD GLU A 75 10.404 15.019 2.563 1.00 0.00 C ATOM 1092 OE1 GLU A 75 9.158 15.095 2.593 1.00 0.00 O ATOM 1093 OE2 GLU A 75 11.155 16.004 2.729 1.00 0.00 O ATOM 0 H GLU A 75 10.565 10.687 -0.685 1.00 0.00 H new ATOM 0 HA GLU A 75 12.765 12.185 0.485 1.00 0.00 H new ATOM 0 HB2 GLU A 75 11.275 14.026 0.217 1.00 0.00 H new ATOM 0 HB3 GLU A 75 9.869 13.063 0.625 1.00 0.00 H new ATOM 0 HG2 GLU A 75 10.566 12.922 2.954 1.00 0.00 H new ATOM 0 HG3 GLU A 75 12.092 13.704 2.591 1.00 0.00 H new ATOM 1100 N ASN A 76 12.403 10.927 2.633 1.00 0.00 N ATOM 1101 CA ASN A 76 12.323 9.999 3.754 1.00 0.00 C ATOM 1102 C ASN A 76 11.119 10.313 4.637 1.00 0.00 C ATOM 1103 O ASN A 76 10.413 11.296 4.415 1.00 0.00 O ATOM 1104 CB ASN A 76 13.607 10.057 4.585 1.00 0.00 C ATOM 1105 CG ASN A 76 14.711 9.195 4.004 1.00 0.00 C ATOM 1106 OD1 ASN A 76 14.391 7.939 3.714 1.00 0.00 O flip ATOM 1107 ND2 ASN A 76 15.839 9.653 3.817 1.00 0.00 N flip ATOM 0 H ASN A 76 13.200 11.563 2.668 1.00 0.00 H new ATOM 0 HA ASN A 76 12.203 8.993 3.351 1.00 0.00 H new ATOM 0 HB2 ASN A 76 13.950 11.090 4.647 1.00 0.00 H new ATOM 0 HB3 ASN A 76 13.393 9.731 5.603 1.00 0.00 H new ATOM 0 HD21 ASN A 76 16.041 10.624 4.054 1.00 0.00 H new ATOM 0 HD22 ASN A 76 16.571 9.061 3.425 1.00 0.00 H new ATOM 1114 N GLY A 77 10.891 9.471 5.640 1.00 0.00 N ATOM 1115 CA GLY A 77 9.772 9.676 6.541 1.00 0.00 C ATOM 1116 C GLY A 77 8.645 8.691 6.300 1.00 0.00 C ATOM 1117 O GLY A 77 8.532 8.119 5.216 1.00 0.00 O ATOM 0 H GLY A 77 11.461 8.650 5.845 1.00 0.00 H new ATOM 0 HA2 GLY A 77 10.117 9.584 7.571 1.00 0.00 H new ATOM 0 HA3 GLY A 77 9.395 10.692 6.421 1.00 0.00 H new ATOM 1121 N VAL A 78 7.810 8.491 7.314 1.00 0.00 N ATOM 1122 CA VAL A 78 6.686 7.567 7.208 1.00 0.00 C ATOM 1123 C VAL A 78 5.534 8.192 6.429 1.00 0.00 C ATOM 1124 O VAL A 78 4.752 8.972 6.973 1.00 0.00 O ATOM 1125 CB VAL A 78 6.179 7.138 8.597 1.00 0.00 C ATOM 1126 CG1 VAL A 78 4.980 6.211 8.465 1.00 0.00 C ATOM 1127 CG2 VAL A 78 7.294 6.472 9.389 1.00 0.00 C ATOM 0 H VAL A 78 7.890 8.956 8.218 1.00 0.00 H new ATOM 0 HA VAL A 78 7.048 6.688 6.675 1.00 0.00 H new ATOM 0 HB VAL A 78 5.861 8.028 9.140 1.00 0.00 H new ATOM 0 HG11 VAL A 78 4.636 5.918 9.457 1.00 0.00 H new ATOM 0 HG12 VAL A 78 4.177 6.728 7.940 1.00 0.00 H new ATOM 0 HG13 VAL A 78 5.268 5.322 7.904 1.00 0.00 H new ATOM 0 HG21 VAL A 78 6.918 6.175 10.368 1.00 0.00 H new ATOM 0 HG22 VAL A 78 7.645 5.590 8.853 1.00 0.00 H new ATOM 0 HG23 VAL A 78 8.120 7.173 9.515 1.00 0.00 H new ATOM 1137 N HIS A 79 5.434 7.842 5.150 1.00 0.00 N ATOM 1138 CA HIS A 79 4.375 8.368 4.295 1.00 0.00 C ATOM 1139 C HIS A 79 3.045 7.683 4.594 1.00 0.00 C ATOM 1140 O HIS A 79 3.004 6.651 5.263 1.00 0.00 O ATOM 1141 CB HIS A 79 4.740 8.178 2.822 1.00 0.00 C ATOM 1142 CG HIS A 79 6.019 8.852 2.430 1.00 0.00 C ATOM 1143 ND1 HIS A 79 7.010 9.169 3.335 1.00 0.00 N ATOM 1144 CD2 HIS A 79 6.468 9.266 1.222 1.00 0.00 C ATOM 1145 CE1 HIS A 79 8.012 9.752 2.701 1.00 0.00 C ATOM 1146 NE2 HIS A 79 7.708 9.822 1.417 1.00 0.00 N ATOM 0 H HIS A 79 6.072 7.197 4.684 1.00 0.00 H new ATOM 0 HA HIS A 79 4.269 9.433 4.502 1.00 0.00 H new ATOM 0 HB2 HIS A 79 4.821 7.112 2.611 1.00 0.00 H new ATOM 0 HB3 HIS A 79 3.931 8.565 2.203 1.00 0.00 H new ATOM 0 HD2 HIS A 79 5.948 9.176 0.280 1.00 0.00 H new ATOM 0 HE1 HIS A 79 8.924 10.110 3.155 1.00 0.00 H new ATOM 0 HE2 HIS A 79 8.299 10.224 0.689 1.00 0.00 H new ATOM 1155 N SER A 80 1.960 8.265 4.094 1.00 0.00 N ATOM 1156 CA SER A 80 0.627 7.714 4.312 1.00 0.00 C ATOM 1157 C SER A 80 0.000 7.274 2.993 1.00 0.00 C ATOM 1158 O SER A 80 -0.280 8.097 2.121 1.00 0.00 O ATOM 1159 CB SER A 80 -0.269 8.747 4.997 1.00 0.00 C ATOM 1160 OG SER A 80 -0.122 8.695 6.405 1.00 0.00 O ATOM 0 H SER A 80 1.977 9.118 3.535 1.00 0.00 H new ATOM 0 HA SER A 80 0.722 6.841 4.958 1.00 0.00 H new ATOM 0 HB2 SER A 80 -0.018 9.745 4.639 1.00 0.00 H new ATOM 0 HB3 SER A 80 -1.310 8.565 4.730 1.00 0.00 H new ATOM 0 HG SER A 80 -0.704 9.366 6.820 1.00 0.00 H new ATOM 1166 N ILE A 81 -0.219 5.971 2.854 1.00 0.00 N ATOM 1167 CA ILE A 81 -0.814 5.420 1.643 1.00 0.00 C ATOM 1168 C ILE A 81 -2.332 5.332 1.767 1.00 0.00 C ATOM 1169 O ILE A 81 -2.857 4.497 2.504 1.00 0.00 O ATOM 1170 CB ILE A 81 -0.255 4.021 1.326 1.00 0.00 C ATOM 1171 CG1 ILE A 81 1.243 3.964 1.636 1.00 0.00 C ATOM 1172 CG2 ILE A 81 -0.513 3.665 -0.130 1.00 0.00 C ATOM 1173 CD1 ILE A 81 2.095 4.723 0.643 1.00 0.00 C ATOM 0 H ILE A 81 0.007 5.276 3.566 1.00 0.00 H new ATOM 0 HA ILE A 81 -0.556 6.098 0.829 1.00 0.00 H new ATOM 0 HB ILE A 81 -0.765 3.291 1.954 1.00 0.00 H new ATOM 0 HG12 ILE A 81 1.415 4.368 2.634 1.00 0.00 H new ATOM 0 HG13 ILE A 81 1.562 2.922 1.655 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -0.112 2.673 -0.339 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -1.586 3.670 -0.321 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -0.026 4.396 -0.775 1.00 0.00 H new ATOM 0 HD11 ILE A 81 3.145 4.639 0.925 1.00 0.00 H new ATOM 0 HD12 ILE A 81 1.953 4.305 -0.353 1.00 0.00 H new ATOM 0 HD13 ILE A 81 1.803 5.773 0.641 1.00 0.00 H new ATOM 1185 N ASP A 82 -3.030 6.198 1.041 1.00 0.00 N ATOM 1186 CA ASP A 82 -4.488 6.217 1.068 1.00 0.00 C ATOM 1187 C ASP A 82 -5.062 5.183 0.104 1.00 0.00 C ATOM 1188 O ASP A 82 -4.940 5.318 -1.113 1.00 0.00 O ATOM 1189 CB ASP A 82 -5.008 7.610 0.710 1.00 0.00 C ATOM 1190 CG ASP A 82 -5.130 8.512 1.922 1.00 0.00 C ATOM 1191 OD1 ASP A 82 -4.206 8.504 2.763 1.00 0.00 O ATOM 1192 OD2 ASP A 82 -6.149 9.225 2.032 1.00 0.00 O ATOM 0 H ASP A 82 -2.610 6.896 0.427 1.00 0.00 H new ATOM 0 HA ASP A 82 -4.812 5.966 2.078 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -4.337 8.070 -0.015 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -5.982 7.519 0.229 1.00 0.00 H new ATOM 1197 N VAL A 83 -5.689 4.150 0.657 1.00 0.00 N ATOM 1198 CA VAL A 83 -6.282 3.092 -0.153 1.00 0.00 C ATOM 1199 C VAL A 83 -7.803 3.111 -0.052 1.00 0.00 C ATOM 1200 O VAL A 83 -8.365 3.066 1.043 1.00 0.00 O ATOM 1201 CB VAL A 83 -5.768 1.704 0.272 1.00 0.00 C ATOM 1202 CG1 VAL A 83 -6.394 0.617 -0.588 1.00 0.00 C ATOM 1203 CG2 VAL A 83 -4.250 1.652 0.191 1.00 0.00 C ATOM 0 H VAL A 83 -5.800 4.023 1.663 1.00 0.00 H new ATOM 0 HA VAL A 83 -5.986 3.280 -1.185 1.00 0.00 H new ATOM 0 HB VAL A 83 -6.060 1.528 1.307 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -6.019 -0.357 -0.273 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -7.478 0.643 -0.475 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -6.134 0.785 -1.633 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -3.903 0.664 0.495 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -3.933 1.849 -0.833 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -3.824 2.406 0.853 1.00 0.00 H new ATOM 1213 N LYS A 84 -8.466 3.178 -1.202 1.00 0.00 N ATOM 1214 CA LYS A 84 -9.923 3.200 -1.245 1.00 0.00 C ATOM 1215 C LYS A 84 -10.454 2.176 -2.243 1.00 0.00 C ATOM 1216 O LYS A 84 -9.821 1.904 -3.264 1.00 0.00 O ATOM 1217 CB LYS A 84 -10.421 4.598 -1.619 1.00 0.00 C ATOM 1218 CG LYS A 84 -10.441 5.569 -0.451 1.00 0.00 C ATOM 1219 CD LYS A 84 -11.143 6.867 -0.817 1.00 0.00 C ATOM 1220 CE LYS A 84 -10.173 7.874 -1.416 1.00 0.00 C ATOM 1221 NZ LYS A 84 -9.078 8.222 -0.469 1.00 0.00 N ATOM 0 H LYS A 84 -8.017 3.218 -2.117 1.00 0.00 H new ATOM 0 HA LYS A 84 -10.295 2.941 -0.254 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -9.785 5.003 -2.406 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -11.427 4.518 -2.031 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -10.946 5.108 0.398 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -9.419 5.783 -0.137 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -11.942 6.662 -1.529 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -11.609 7.293 0.071 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -9.745 7.465 -2.331 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -10.714 8.779 -1.693 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -8.866 9.237 -0.542 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -9.375 7.999 0.502 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -8.227 7.673 -0.705 1.00 0.00 H new ATOM 1235 N PHE A 85 -11.620 1.613 -1.944 1.00 0.00 N ATOM 1236 CA PHE A 85 -12.236 0.620 -2.815 1.00 0.00 C ATOM 1237 C PHE A 85 -13.670 1.012 -3.158 1.00 0.00 C ATOM 1238 O PHE A 85 -14.577 0.868 -2.340 1.00 0.00 O ATOM 1239 CB PHE A 85 -12.217 -0.757 -2.148 1.00 0.00 C ATOM 1240 CG PHE A 85 -12.813 -1.843 -2.997 1.00 0.00 C ATOM 1241 CD1 PHE A 85 -12.327 -2.091 -4.270 1.00 0.00 C ATOM 1242 CD2 PHE A 85 -13.861 -2.616 -2.521 1.00 0.00 C ATOM 1243 CE1 PHE A 85 -12.874 -3.089 -5.054 1.00 0.00 C ATOM 1244 CE2 PHE A 85 -14.410 -3.616 -3.300 1.00 0.00 C ATOM 1245 CZ PHE A 85 -13.917 -3.853 -4.569 1.00 0.00 C ATOM 0 H PHE A 85 -12.157 1.828 -1.104 1.00 0.00 H new ATOM 0 HA PHE A 85 -11.659 0.576 -3.739 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -11.187 -1.020 -1.906 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -12.762 -0.703 -1.206 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -11.511 -1.497 -4.655 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -14.252 -2.434 -1.531 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -12.486 -3.271 -6.045 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -15.225 -4.213 -2.917 1.00 0.00 H new ATOM 0 HZ PHE A 85 -14.346 -4.634 -5.180 1.00 0.00 H new ATOM 1255 N ASN A 86 -13.866 1.508 -4.375 1.00 0.00 N ATOM 1256 CA ASN A 86 -15.189 1.923 -4.828 1.00 0.00 C ATOM 1257 C ASN A 86 -15.831 2.880 -3.828 1.00 0.00 C ATOM 1258 O ASN A 86 -17.013 2.759 -3.508 1.00 0.00 O ATOM 1259 CB ASN A 86 -16.088 0.701 -5.030 1.00 0.00 C ATOM 1260 CG ASN A 86 -15.496 -0.296 -6.008 1.00 0.00 C ATOM 1261 OD1 ASN A 86 -14.440 -0.876 -5.758 1.00 0.00 O ATOM 1262 ND2 ASN A 86 -16.177 -0.499 -7.130 1.00 0.00 N ATOM 0 H ASN A 86 -13.126 1.632 -5.066 1.00 0.00 H new ATOM 0 HA ASN A 86 -15.074 2.443 -5.779 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -16.252 0.211 -4.070 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -17.063 1.026 -5.392 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -15.828 -1.158 -7.826 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -17.049 0.004 -7.296 1.00 0.00 H new ATOM 1269 N GLY A 87 -15.042 3.832 -3.338 1.00 0.00 N ATOM 1270 CA GLY A 87 -15.551 4.796 -2.380 1.00 0.00 C ATOM 1271 C GLY A 87 -15.720 4.204 -0.995 1.00 0.00 C ATOM 1272 O GLY A 87 -16.730 4.436 -0.332 1.00 0.00 O ATOM 0 H GLY A 87 -14.060 3.953 -3.587 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -14.870 5.646 -2.328 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -16.511 5.177 -2.728 1.00 0.00 H new ATOM 1276 N ALA A 88 -14.728 3.434 -0.557 1.00 0.00 N ATOM 1277 CA ALA A 88 -14.771 2.807 0.758 1.00 0.00 C ATOM 1278 C ALA A 88 -13.366 2.540 1.285 1.00 0.00 C ATOM 1279 O ALA A 88 -12.654 1.675 0.773 1.00 0.00 O ATOM 1280 CB ALA A 88 -15.570 1.514 0.700 1.00 0.00 C ATOM 0 H ALA A 88 -13.885 3.230 -1.094 1.00 0.00 H new ATOM 0 HA ALA A 88 -15.263 3.495 1.445 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -15.594 1.056 1.689 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -16.588 1.730 0.375 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -15.102 0.828 -0.006 1.00 0.00 H new ATOM 1286 N HIS A 89 -12.971 3.288 2.311 1.00 0.00 N ATOM 1287 CA HIS A 89 -11.649 3.131 2.907 1.00 0.00 C ATOM 1288 C HIS A 89 -11.464 1.719 3.454 1.00 0.00 C ATOM 1289 O HIS A 89 -12.383 1.144 4.038 1.00 0.00 O ATOM 1290 CB HIS A 89 -11.446 4.154 4.025 1.00 0.00 C ATOM 1291 CG HIS A 89 -10.843 5.442 3.556 1.00 0.00 C ATOM 1292 ND1 HIS A 89 -9.558 5.830 3.873 1.00 0.00 N ATOM 1293 CD2 HIS A 89 -11.355 6.432 2.789 1.00 0.00 C ATOM 1294 CE1 HIS A 89 -9.307 7.004 3.322 1.00 0.00 C ATOM 1295 NE2 HIS A 89 -10.381 7.391 2.658 1.00 0.00 N ATOM 0 H HIS A 89 -13.547 4.008 2.746 1.00 0.00 H new ATOM 0 HA HIS A 89 -10.904 3.301 2.129 1.00 0.00 H new ATOM 0 HB2 HIS A 89 -12.407 4.362 4.495 1.00 0.00 H new ATOM 0 HB3 HIS A 89 -10.804 3.720 4.792 1.00 0.00 H new ATOM 0 HD1 HIS A 89 -8.904 5.294 4.444 1.00 0.00 H new ATOM 0 HD2 HIS A 89 -12.346 6.462 2.360 1.00 0.00 H new ATOM 0 HE1 HIS A 89 -8.381 7.554 3.401 1.00 0.00 H new ATOM 1304 N ILE A 90 -10.271 1.166 3.259 1.00 0.00 N ATOM 1305 CA ILE A 90 -9.966 -0.178 3.733 1.00 0.00 C ATOM 1306 C ILE A 90 -9.466 -0.153 5.173 1.00 0.00 C ATOM 1307 O ILE A 90 -8.876 0.824 5.635 1.00 0.00 O ATOM 1308 CB ILE A 90 -8.909 -0.862 2.846 1.00 0.00 C ATOM 1309 CG1 ILE A 90 -7.540 -0.212 3.053 1.00 0.00 C ATOM 1310 CG2 ILE A 90 -9.320 -0.790 1.383 1.00 0.00 C ATOM 1311 CD1 ILE A 90 -6.383 -1.093 2.637 1.00 0.00 C ATOM 0 H ILE A 90 -9.500 1.628 2.776 1.00 0.00 H new ATOM 0 HA ILE A 90 -10.894 -0.748 3.683 1.00 0.00 H new ATOM 0 HB ILE A 90 -8.839 -1.911 3.133 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -7.499 0.718 2.487 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -7.427 0.050 4.105 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -8.563 -1.277 0.768 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -10.277 -1.294 1.249 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -9.415 0.254 1.083 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -5.444 -0.567 2.812 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -6.398 -2.013 3.221 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -6.472 -1.334 1.578 1.00 0.00 H new ATOM 1323 N PRO A 91 -9.703 -1.254 5.902 1.00 0.00 N ATOM 1324 CA PRO A 91 -9.282 -1.384 7.300 1.00 0.00 C ATOM 1325 C PRO A 91 -7.768 -1.499 7.441 1.00 0.00 C ATOM 1326 O PRO A 91 -7.186 -2.544 7.158 1.00 0.00 O ATOM 1327 CB PRO A 91 -9.961 -2.678 7.756 1.00 0.00 C ATOM 1328 CG PRO A 91 -10.156 -3.465 6.505 1.00 0.00 C ATOM 1329 CD PRO A 91 -10.400 -2.457 5.416 1.00 0.00 C ATOM 0 HA PRO A 91 -9.557 -0.511 7.891 1.00 0.00 H new ATOM 0 HB2 PRO A 91 -9.342 -3.219 8.472 1.00 0.00 H new ATOM 0 HB3 PRO A 91 -10.912 -2.474 8.248 1.00 0.00 H new ATOM 0 HG2 PRO A 91 -9.278 -4.072 6.285 1.00 0.00 H new ATOM 0 HG3 PRO A 91 -11.000 -4.148 6.601 1.00 0.00 H new ATOM 0 HD2 PRO A 91 -10.000 -2.794 4.460 1.00 0.00 H new ATOM 0 HD3 PRO A 91 -11.464 -2.273 5.270 1.00 0.00 H new ATOM 1337 N GLY A 92 -7.136 -0.415 7.882 1.00 0.00 N ATOM 1338 CA GLY A 92 -5.695 -0.416 8.054 1.00 0.00 C ATOM 1339 C GLY A 92 -5.031 0.770 7.383 1.00 0.00 C ATOM 1340 O GLY A 92 -3.862 1.062 7.637 1.00 0.00 O ATOM 0 H GLY A 92 -7.596 0.463 8.123 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -5.459 -0.407 9.118 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -5.284 -1.339 7.644 1.00 0.00 H new ATOM 1344 N SER A 93 -5.777 1.456 6.522 1.00 0.00 N ATOM 1345 CA SER A 93 -5.252 2.614 5.808 1.00 0.00 C ATOM 1346 C SER A 93 -5.539 3.901 6.575 1.00 0.00 C ATOM 1347 O SER A 93 -6.497 3.996 7.342 1.00 0.00 O ATOM 1348 CB SER A 93 -5.860 2.695 4.407 1.00 0.00 C ATOM 1349 OG SER A 93 -5.987 4.041 3.983 1.00 0.00 O ATOM 0 H SER A 93 -6.747 1.230 6.302 1.00 0.00 H new ATOM 0 HA SER A 93 -4.172 2.497 5.721 1.00 0.00 H new ATOM 0 HB2 SER A 93 -5.234 2.146 3.703 1.00 0.00 H new ATOM 0 HB3 SER A 93 -6.839 2.216 4.404 1.00 0.00 H new ATOM 0 HG SER A 93 -6.836 4.156 3.508 1.00 0.00 H new ATOM 1355 N PRO A 94 -4.689 4.917 6.363 1.00 0.00 N ATOM 1356 CA PRO A 94 -3.545 4.815 5.453 1.00 0.00 C ATOM 1357 C PRO A 94 -2.458 3.889 5.988 1.00 0.00 C ATOM 1358 O PRO A 94 -2.208 3.840 7.192 1.00 0.00 O ATOM 1359 CB PRO A 94 -3.028 6.254 5.370 1.00 0.00 C ATOM 1360 CG PRO A 94 -3.467 6.888 6.644 1.00 0.00 C ATOM 1361 CD PRO A 94 -4.779 6.243 6.997 1.00 0.00 C ATOM 0 HA PRO A 94 -3.828 4.393 4.489 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -1.943 6.280 5.268 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -3.442 6.774 4.506 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -2.730 6.731 7.432 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -3.581 7.965 6.525 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -4.911 6.164 8.076 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -5.624 6.815 6.614 1.00 0.00 H new ATOM 1369 N PHE A 95 -1.815 3.156 5.085 1.00 0.00 N ATOM 1370 CA PHE A 95 -0.755 2.230 5.468 1.00 0.00 C ATOM 1371 C PHE A 95 0.546 2.978 5.746 1.00 0.00 C ATOM 1372 O PHE A 95 1.237 3.412 4.824 1.00 0.00 O ATOM 1373 CB PHE A 95 -0.533 1.192 4.366 1.00 0.00 C ATOM 1374 CG PHE A 95 -1.566 0.102 4.352 1.00 0.00 C ATOM 1375 CD1 PHE A 95 -1.746 -0.714 5.457 1.00 0.00 C ATOM 1376 CD2 PHE A 95 -2.358 -0.106 3.234 1.00 0.00 C ATOM 1377 CE1 PHE A 95 -2.696 -1.718 5.448 1.00 0.00 C ATOM 1378 CE2 PHE A 95 -3.310 -1.108 3.220 1.00 0.00 C ATOM 1379 CZ PHE A 95 -3.479 -1.915 4.328 1.00 0.00 C ATOM 0 H PHE A 95 -2.009 3.185 4.084 1.00 0.00 H new ATOM 0 HA PHE A 95 -1.064 1.721 6.381 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -0.534 1.695 3.399 1.00 0.00 H new ATOM 0 HB3 PHE A 95 0.453 0.745 4.492 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -1.137 -0.564 6.336 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -2.230 0.522 2.364 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -2.826 -2.348 6.316 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -3.922 -1.260 2.343 1.00 0.00 H new ATOM 0 HZ PHE A 95 -4.222 -2.699 4.318 1.00 0.00 H new ATOM 1389 N LYS A 96 0.874 3.126 7.026 1.00 0.00 N ATOM 1390 CA LYS A 96 2.091 3.820 7.429 1.00 0.00 C ATOM 1391 C LYS A 96 3.328 3.002 7.070 1.00 0.00 C ATOM 1392 O LYS A 96 3.623 1.993 7.711 1.00 0.00 O ATOM 1393 CB LYS A 96 2.069 4.099 8.933 1.00 0.00 C ATOM 1394 CG LYS A 96 0.922 4.993 9.369 1.00 0.00 C ATOM 1395 CD LYS A 96 1.235 6.460 9.127 1.00 0.00 C ATOM 1396 CE LYS A 96 0.183 7.365 9.749 1.00 0.00 C ATOM 1397 NZ LYS A 96 0.380 7.516 11.218 1.00 0.00 N ATOM 0 H LYS A 96 0.313 2.774 7.802 1.00 0.00 H new ATOM 0 HA LYS A 96 2.135 4.767 6.891 1.00 0.00 H new ATOM 0 HB2 LYS A 96 2.004 3.152 9.469 1.00 0.00 H new ATOM 0 HB3 LYS A 96 3.011 4.565 9.221 1.00 0.00 H new ATOM 0 HG2 LYS A 96 0.018 4.718 8.825 1.00 0.00 H new ATOM 0 HG3 LYS A 96 0.717 4.834 10.428 1.00 0.00 H new ATOM 0 HD2 LYS A 96 2.214 6.698 9.544 1.00 0.00 H new ATOM 0 HD3 LYS A 96 1.291 6.649 8.055 1.00 0.00 H new ATOM 0 HE2 LYS A 96 0.221 8.346 9.275 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -0.809 6.956 9.556 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -0.357 8.140 11.605 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 0.318 6.583 11.674 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 1.316 7.930 11.402 1.00 0.00 H new ATOM 1411 N ILE A 97 4.047 3.445 6.044 1.00 0.00 N ATOM 1412 CA ILE A 97 5.253 2.755 5.604 1.00 0.00 C ATOM 1413 C ILE A 97 6.504 3.550 5.962 1.00 0.00 C ATOM 1414 O ILE A 97 6.582 4.752 5.706 1.00 0.00 O ATOM 1415 CB ILE A 97 5.235 2.505 4.084 1.00 0.00 C ATOM 1416 CG1 ILE A 97 5.094 3.828 3.329 1.00 0.00 C ATOM 1417 CG2 ILE A 97 4.104 1.556 3.717 1.00 0.00 C ATOM 1418 CD1 ILE A 97 4.973 3.659 1.831 1.00 0.00 C ATOM 0 H ILE A 97 3.815 4.278 5.502 1.00 0.00 H new ATOM 0 HA ILE A 97 5.275 1.796 6.122 1.00 0.00 H new ATOM 0 HB ILE A 97 6.179 2.043 3.795 1.00 0.00 H new ATOM 0 HG12 ILE A 97 4.215 4.356 3.699 1.00 0.00 H new ATOM 0 HG13 ILE A 97 5.958 4.455 3.547 1.00 0.00 H new ATOM 0 HG21 ILE A 97 4.104 1.389 2.640 1.00 0.00 H new ATOM 0 HG22 ILE A 97 4.245 0.606 4.232 1.00 0.00 H new ATOM 0 HG23 ILE A 97 3.151 1.993 4.016 1.00 0.00 H new ATOM 0 HD11 ILE A 97 4.876 4.638 1.361 1.00 0.00 H new ATOM 0 HD12 ILE A 97 5.863 3.159 1.448 1.00 0.00 H new ATOM 0 HD13 ILE A 97 4.093 3.058 1.603 1.00 0.00 H new ATOM 1430 N ARG A 98 7.481 2.872 6.554 1.00 0.00 N ATOM 1431 CA ARG A 98 8.729 3.515 6.947 1.00 0.00 C ATOM 1432 C ARG A 98 9.736 3.494 5.800 1.00 0.00 C ATOM 1433 O ARG A 98 10.097 2.431 5.297 1.00 0.00 O ATOM 1434 CB ARG A 98 9.322 2.819 8.173 1.00 0.00 C ATOM 1435 CG ARG A 98 10.550 3.517 8.735 1.00 0.00 C ATOM 1436 CD ARG A 98 11.267 2.647 9.756 1.00 0.00 C ATOM 1437 NE ARG A 98 10.470 2.452 10.964 1.00 0.00 N ATOM 1438 CZ ARG A 98 10.836 1.660 11.966 1.00 0.00 C ATOM 1439 NH1 ARG A 98 11.980 0.993 11.904 1.00 0.00 N ATOM 1440 NH2 ARG A 98 10.057 1.534 13.033 1.00 0.00 N ATOM 0 H ARG A 98 7.433 1.877 6.772 1.00 0.00 H new ATOM 0 HA ARG A 98 8.511 4.553 7.197 1.00 0.00 H new ATOM 0 HB2 ARG A 98 8.560 2.760 8.951 1.00 0.00 H new ATOM 0 HB3 ARG A 98 9.586 1.795 7.907 1.00 0.00 H new ATOM 0 HG2 ARG A 98 11.233 3.764 7.922 1.00 0.00 H new ATOM 0 HG3 ARG A 98 10.254 4.457 9.200 1.00 0.00 H new ATOM 0 HD2 ARG A 98 11.494 1.678 9.311 1.00 0.00 H new ATOM 0 HD3 ARG A 98 12.219 3.108 10.020 1.00 0.00 H new ATOM 0 HE ARG A 98 9.584 2.951 11.043 1.00 0.00 H new ATOM 0 HH11 ARG A 98 12.582 1.087 11.086 1.00 0.00 H new ATOM 0 HH12 ARG A 98 12.259 0.386 12.675 1.00 0.00 H new ATOM 0 HH21 ARG A 98 9.176 2.046 13.085 1.00 0.00 H new ATOM 0 HH22 ARG A 98 10.339 0.926 13.802 1.00 0.00 H new ATOM 1454 N VAL A 99 10.184 4.677 5.392 1.00 0.00 N ATOM 1455 CA VAL A 99 11.150 4.795 4.306 1.00 0.00 C ATOM 1456 C VAL A 99 12.498 5.288 4.820 1.00 0.00 C ATOM 1457 O VAL A 99 12.614 6.408 5.315 1.00 0.00 O ATOM 1458 CB VAL A 99 10.648 5.756 3.211 1.00 0.00 C ATOM 1459 CG1 VAL A 99 11.678 5.884 2.100 1.00 0.00 C ATOM 1460 CG2 VAL A 99 9.312 5.282 2.659 1.00 0.00 C ATOM 0 H VAL A 99 9.894 5.567 5.797 1.00 0.00 H new ATOM 0 HA VAL A 99 11.270 3.799 3.879 1.00 0.00 H new ATOM 0 HB VAL A 99 10.503 6.741 3.654 1.00 0.00 H new ATOM 0 HG11 VAL A 99 11.306 6.567 1.336 1.00 0.00 H new ATOM 0 HG12 VAL A 99 12.610 6.272 2.511 1.00 0.00 H new ATOM 0 HG13 VAL A 99 11.857 4.905 1.656 1.00 0.00 H new ATOM 0 HG21 VAL A 99 8.972 5.972 1.887 1.00 0.00 H new ATOM 0 HG22 VAL A 99 9.428 4.286 2.231 1.00 0.00 H new ATOM 0 HG23 VAL A 99 8.578 5.247 3.464 1.00 0.00 H new ATOM 1470 N GLY A 100 13.516 4.441 4.698 1.00 0.00 N ATOM 1471 CA GLY A 100 14.844 4.808 5.155 1.00 0.00 C ATOM 1472 C GLY A 100 15.239 4.088 6.429 1.00 0.00 C ATOM 1473 O GLY A 100 14.876 4.512 7.526 1.00 0.00 O ATOM 0 H GLY A 100 13.445 3.508 4.291 1.00 0.00 H new ATOM 0 HA2 GLY A 100 15.569 4.581 4.374 1.00 0.00 H new ATOM 0 HA3 GLY A 100 14.882 5.884 5.323 1.00 0.00 H new ATOM 1477 N GLU A 101 15.983 2.996 6.284 1.00 0.00 N ATOM 1478 CA GLU A 101 16.424 2.215 7.433 1.00 0.00 C ATOM 1479 C GLU A 101 17.711 2.789 8.019 1.00 0.00 C ATOM 1480 O GLU A 101 18.707 2.950 7.314 1.00 0.00 O ATOM 1481 CB GLU A 101 16.640 0.754 7.033 1.00 0.00 C ATOM 1482 CG GLU A 101 16.836 -0.179 8.216 1.00 0.00 C ATOM 1483 CD GLU A 101 16.927 -1.635 7.802 1.00 0.00 C ATOM 1484 OE1 GLU A 101 17.998 -2.044 7.308 1.00 0.00 O ATOM 1485 OE2 GLU A 101 15.928 -2.364 7.972 1.00 0.00 O ATOM 0 H GLU A 101 16.293 2.633 5.383 1.00 0.00 H new ATOM 0 HA GLU A 101 15.645 2.264 8.194 1.00 0.00 H new ATOM 0 HB2 GLU A 101 15.783 0.415 6.452 1.00 0.00 H new ATOM 0 HB3 GLU A 101 17.512 0.690 6.382 1.00 0.00 H new ATOM 0 HG2 GLU A 101 17.745 0.101 8.748 1.00 0.00 H new ATOM 0 HG3 GLU A 101 16.007 -0.055 8.913 1.00 0.00 H new ATOM 1492 N GLN A 102 17.681 3.095 9.312 1.00 0.00 N ATOM 1493 CA GLN A 102 18.845 3.652 9.992 1.00 0.00 C ATOM 1494 C GLN A 102 19.960 2.617 10.098 1.00 0.00 C ATOM 1495 O GLN A 102 19.712 1.413 10.026 1.00 0.00 O ATOM 1496 CB GLN A 102 18.458 4.147 11.387 1.00 0.00 C ATOM 1497 CG GLN A 102 17.849 3.069 12.268 1.00 0.00 C ATOM 1498 CD GLN A 102 17.757 3.487 13.722 1.00 0.00 C ATOM 1499 OE1 GLN A 102 18.581 4.259 14.211 1.00 0.00 O ATOM 1500 NE2 GLN A 102 16.750 2.977 14.422 1.00 0.00 N ATOM 0 H GLN A 102 16.864 2.967 9.909 1.00 0.00 H new ATOM 0 HA GLN A 102 19.210 4.494 9.404 1.00 0.00 H new ATOM 0 HB2 GLN A 102 19.343 4.549 11.879 1.00 0.00 H new ATOM 0 HB3 GLN A 102 17.748 4.968 11.288 1.00 0.00 H new ATOM 0 HG2 GLN A 102 16.852 2.825 11.900 1.00 0.00 H new ATOM 0 HG3 GLN A 102 18.448 2.162 12.192 1.00 0.00 H new ATOM 0 HE21 GLN A 102 16.090 2.340 13.976 1.00 0.00 H new ATOM 0 HE22 GLN A 102 16.637 3.222 15.406 1.00 0.00 H new ATOM 1509 N SER A 103 21.189 3.094 10.269 1.00 0.00 N ATOM 1510 CA SER A 103 22.343 2.210 10.381 1.00 0.00 C ATOM 1511 C SER A 103 22.387 1.545 11.753 1.00 0.00 C ATOM 1512 O SER A 103 22.362 2.219 12.782 1.00 0.00 O ATOM 1513 CB SER A 103 23.636 2.992 10.139 1.00 0.00 C ATOM 1514 OG SER A 103 23.905 3.117 8.753 1.00 0.00 O ATOM 0 H SER A 103 21.411 4.088 10.333 1.00 0.00 H new ATOM 0 HA SER A 103 22.249 1.433 9.623 1.00 0.00 H new ATOM 0 HB2 SER A 103 23.555 3.982 10.588 1.00 0.00 H new ATOM 0 HB3 SER A 103 24.468 2.487 10.630 1.00 0.00 H new ATOM 0 HG SER A 103 24.735 3.622 8.625 1.00 0.00 H new ATOM 1520 N GLN A 104 22.453 0.217 11.758 1.00 0.00 N ATOM 1521 CA GLN A 104 22.499 -0.540 13.003 1.00 0.00 C ATOM 1522 C GLN A 104 23.889 -0.476 13.627 1.00 0.00 C ATOM 1523 O GLN A 104 24.868 -0.155 12.955 1.00 0.00 O ATOM 1524 CB GLN A 104 22.106 -1.997 12.753 1.00 0.00 C ATOM 1525 CG GLN A 104 23.162 -2.792 12.001 1.00 0.00 C ATOM 1526 CD GLN A 104 23.031 -4.287 12.217 1.00 0.00 C ATOM 1527 OE1 GLN A 104 22.323 -4.736 13.119 1.00 0.00 O ATOM 1528 NE2 GLN A 104 23.715 -5.067 11.388 1.00 0.00 N ATOM 0 H GLN A 104 22.476 -0.356 10.914 1.00 0.00 H new ATOM 0 HA GLN A 104 21.788 -0.093 13.698 1.00 0.00 H new ATOM 0 HB2 GLN A 104 21.912 -2.481 13.710 1.00 0.00 H new ATOM 0 HB3 GLN A 104 21.174 -2.021 12.188 1.00 0.00 H new ATOM 0 HG2 GLN A 104 23.085 -2.575 10.936 1.00 0.00 H new ATOM 0 HG3 GLN A 104 24.152 -2.468 12.322 1.00 0.00 H new ATOM 0 HE21 GLN A 104 24.289 -4.652 10.654 1.00 0.00 H new ATOM 0 HE22 GLN A 104 23.666 -6.081 11.485 1.00 0.00 H new ATOM 1537 N ALA A 105 23.967 -0.783 14.918 1.00 0.00 N ATOM 1538 CA ALA A 105 25.237 -0.762 15.633 1.00 0.00 C ATOM 1539 C ALA A 105 25.330 -1.919 16.622 1.00 0.00 C ATOM 1540 O ALA A 105 24.329 -2.560 16.938 1.00 0.00 O ATOM 1541 CB ALA A 105 25.414 0.567 16.354 1.00 0.00 C ATOM 0 H ALA A 105 23.165 -1.049 15.490 1.00 0.00 H new ATOM 0 HA ALA A 105 26.039 -0.877 14.903 1.00 0.00 H new ATOM 0 HB1 ALA A 105 26.366 0.569 16.884 1.00 0.00 H new ATOM 0 HB2 ALA A 105 25.401 1.380 15.628 1.00 0.00 H new ATOM 0 HB3 ALA A 105 24.602 0.705 17.067 1.00 0.00 H new ATOM 1547 N GLY A 106 26.540 -2.181 17.106 1.00 0.00 N ATOM 1548 CA GLY A 106 26.741 -3.262 18.054 1.00 0.00 C ATOM 1549 C GLY A 106 26.596 -4.629 17.414 1.00 0.00 C ATOM 1550 O GLY A 106 25.484 -5.069 17.120 1.00 0.00 O ATOM 0 H GLY A 106 27.384 -1.665 16.859 1.00 0.00 H new ATOM 0 HA2 GLY A 106 27.734 -3.174 18.495 1.00 0.00 H new ATOM 0 HA3 GLY A 106 26.021 -3.167 18.867 1.00 0.00 H new ATOM 1554 N SER A 107 27.721 -5.301 17.196 1.00 0.00 N ATOM 1555 CA SER A 107 27.715 -6.623 16.581 1.00 0.00 C ATOM 1556 C SER A 107 27.070 -7.650 17.508 1.00 0.00 C ATOM 1557 O SER A 107 27.453 -7.781 18.669 1.00 0.00 O ATOM 1558 CB SER A 107 29.142 -7.056 16.237 1.00 0.00 C ATOM 1559 OG SER A 107 29.145 -8.023 15.201 1.00 0.00 O ATOM 0 H SER A 107 28.649 -4.952 17.436 1.00 0.00 H new ATOM 0 HA SER A 107 27.129 -6.567 15.664 1.00 0.00 H new ATOM 0 HB2 SER A 107 29.725 -6.188 15.930 1.00 0.00 H new ATOM 0 HB3 SER A 107 29.625 -7.467 17.124 1.00 0.00 H new ATOM 0 HG SER A 107 30.068 -8.282 14.998 1.00 0.00 H new ATOM 1565 N GLY A 108 26.088 -8.376 16.983 1.00 0.00 N ATOM 1566 CA GLY A 108 25.404 -9.382 17.776 1.00 0.00 C ATOM 1567 C GLY A 108 25.170 -10.666 17.006 1.00 0.00 C ATOM 1568 O GLY A 108 26.028 -11.548 16.951 1.00 0.00 O ATOM 0 H GLY A 108 25.754 -8.286 16.024 1.00 0.00 H new ATOM 0 HA2 GLY A 108 25.992 -9.599 18.668 1.00 0.00 H new ATOM 0 HA3 GLY A 108 24.447 -8.985 18.114 1.00 0.00 H new ATOM 1572 N PRO A 109 23.982 -10.786 16.394 1.00 0.00 N ATOM 1573 CA PRO A 109 23.610 -11.969 15.613 1.00 0.00 C ATOM 1574 C PRO A 109 24.400 -12.079 14.314 1.00 0.00 C ATOM 1575 O PRO A 109 24.286 -11.228 13.432 1.00 0.00 O ATOM 1576 CB PRO A 109 22.124 -11.746 15.318 1.00 0.00 C ATOM 1577 CG PRO A 109 21.944 -10.268 15.377 1.00 0.00 C ATOM 1578 CD PRO A 109 22.912 -9.775 16.417 1.00 0.00 C ATOM 0 HA PRO A 109 23.818 -12.894 16.151 1.00 0.00 H new ATOM 0 HB2 PRO A 109 21.851 -12.139 14.339 1.00 0.00 H new ATOM 0 HB3 PRO A 109 21.495 -12.251 16.051 1.00 0.00 H new ATOM 0 HG2 PRO A 109 22.146 -9.811 14.408 1.00 0.00 H new ATOM 0 HG3 PRO A 109 20.919 -10.010 15.644 1.00 0.00 H new ATOM 0 HD2 PRO A 109 23.292 -8.783 16.174 1.00 0.00 H new ATOM 0 HD3 PRO A 109 22.445 -9.706 17.400 1.00 0.00 H new ATOM 1586 N SER A 110 25.202 -13.133 14.202 1.00 0.00 N ATOM 1587 CA SER A 110 26.015 -13.353 13.011 1.00 0.00 C ATOM 1588 C SER A 110 26.196 -14.844 12.744 1.00 0.00 C ATOM 1589 O SER A 110 25.938 -15.677 13.613 1.00 0.00 O ATOM 1590 CB SER A 110 27.380 -12.681 13.169 1.00 0.00 C ATOM 1591 OG SER A 110 27.295 -11.288 12.925 1.00 0.00 O ATOM 0 H SER A 110 25.306 -13.848 14.922 1.00 0.00 H new ATOM 0 HA SER A 110 25.497 -12.911 12.160 1.00 0.00 H new ATOM 0 HB2 SER A 110 27.760 -12.854 14.176 1.00 0.00 H new ATOM 0 HB3 SER A 110 28.093 -13.131 12.478 1.00 0.00 H new ATOM 0 HG SER A 110 26.355 -11.011 12.934 1.00 0.00 H new ATOM 1597 N SER A 111 26.642 -15.172 11.536 1.00 0.00 N ATOM 1598 CA SER A 111 26.855 -16.563 11.152 1.00 0.00 C ATOM 1599 C SER A 111 28.179 -16.725 10.410 1.00 0.00 C ATOM 1600 O SER A 111 28.581 -15.855 9.638 1.00 0.00 O ATOM 1601 CB SER A 111 25.702 -17.054 10.275 1.00 0.00 C ATOM 1602 OG SER A 111 25.845 -18.431 9.968 1.00 0.00 O ATOM 0 H SER A 111 26.863 -14.494 10.806 1.00 0.00 H new ATOM 0 HA SER A 111 26.892 -17.164 12.061 1.00 0.00 H new ATOM 0 HB2 SER A 111 24.755 -16.889 10.788 1.00 0.00 H new ATOM 0 HB3 SER A 111 25.670 -16.474 9.353 1.00 0.00 H new ATOM 0 HG SER A 111 25.095 -18.721 9.408 1.00 0.00 H new ATOM 1608 N GLY A 112 28.851 -17.847 10.650 1.00 0.00 N ATOM 1609 CA GLY A 112 30.122 -18.103 9.997 1.00 0.00 C ATOM 1610 C GLY A 112 31.167 -18.640 10.955 1.00 0.00 C ATOM 1611 O GLY A 112 32.227 -19.102 10.532 1.00 0.00 O ATOM 0 H GLY A 112 28.539 -18.582 11.284 1.00 0.00 H new ATOM 0 HA2 GLY A 112 29.974 -18.818 9.188 1.00 0.00 H new ATOM 0 HA3 GLY A 112 30.487 -17.181 9.545 1.00 0.00 H new TER 1615 GLY A 112