USER MOD reduce.3.24.130724 H: found=0, std=0, add=815, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 810 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 42 GLN : amide:sc= -0.762 K(o=-0.85,f=-1.6) USER MOD Set 1.2: A 98 THR OG1 : rot -100:sc= -0.0845 USER MOD Set 2.1: A 9 MET CE :methyl 156:sc= -1.12 (180deg=-2.27!) USER MOD Set 2.2: A 85 HIS : no HD1:sc= -3.7 X(o=-4.8,f=-5.3!) USER MOD Set 3.1: A 53 ASN : amide:sc= -1.58 K(o=-5.2,f=-12) USER MOD Set 3.2: A 55 ASN : amide:sc= -3.57! C(o=-5.2!,f=-9.6!) USER MOD Set 4.1: A 29 THR OG1 : rot -176:sc= 0.869 USER MOD Set 4.2: A 31 SER OG : rot -60:sc= 0.886 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot -170:sc= -0.293 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 27 HIS : no HE2:sc= -6.93! C(o=-6.9!,f=-9.8!) USER MOD Single : A 32 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 THR OG1 : rot 94:sc= 0.395 USER MOD Single : A 38 GLN : amide:sc= -3.03! C(o=-3!,f=-11!) USER MOD Single : A 40 GLN : amide:sc= -5.63! C(o=-5.6!,f=-10!) USER MOD Single : A 46 HIS : no HD1:sc= -2.57! C(o=-2.6!,f=-7.6!) USER MOD Single : A 47 ASN : amide:sc= -5.29! C(o=-5.3!,f=-5.9!) USER MOD Single : A 48 GLN : amide:sc= -7.46! C(o=-7.5!,f=-19!) USER MOD Single : A 49 THR OG1 : rot 86:sc= 1.27 USER MOD Single : A 51 SER OG : rot 140:sc= -1.3 USER MOD Single : A 52 THR OG1 : rot 180:sc= 0.0388 USER MOD Single : A 60 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.000812) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 MET CE :methyl -156:sc= -5.52! (180deg=-6.93!) USER MOD Single : A 75 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 79 SER OG : rot 180:sc= -0.0394 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 82 ASN : amide:sc= 0 X(o=0,f=0.11) USER MOD Single : A 87 SER OG : rot 120:sc= -0.731 USER MOD Single : A 88 MET CE :methyl -141:sc= -5.13! (180deg=-9.4!) USER MOD Single : A 90 TYR OH : rot -173:sc= -1.05 USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 3.652 7.857 11.060 1.00 0.00 N ATOM 2 CA GLY A 1 3.265 9.240 11.281 1.00 0.00 C ATOM 3 C GLY A 1 1.850 9.503 10.761 1.00 0.00 C ATOM 4 O GLY A 1 0.900 8.841 11.176 1.00 0.00 O ATOM 0 H1 GLY A 1 4.615 7.704 11.421 1.00 0.00 H new ATOM 0 H2 GLY A 1 2.991 7.228 11.559 1.00 0.00 H new ATOM 0 H3 GLY A 1 3.627 7.648 10.042 1.00 0.00 H new ATOM 0 HA2 GLY A 1 3.314 9.469 12.345 1.00 0.00 H new ATOM 0 HA3 GLY A 1 3.970 9.903 10.780 1.00 0.00 H new ATOM 8 N SER A 2 1.755 10.471 9.862 1.00 0.00 N ATOM 9 CA SER A 2 0.472 10.830 9.282 1.00 0.00 C ATOM 10 C SER A 2 0.673 11.839 8.149 1.00 0.00 C ATOM 11 O SER A 2 0.281 11.587 7.011 1.00 0.00 O ATOM 12 CB SER A 2 -0.471 11.402 10.342 1.00 0.00 C ATOM 13 OG SER A 2 -1.791 10.879 10.221 1.00 0.00 O ATOM 0 H SER A 2 2.545 11.018 9.521 1.00 0.00 H new ATOM 0 HA SER A 2 0.015 9.927 8.878 1.00 0.00 H new ATOM 0 HB2 SER A 2 -0.081 11.175 11.334 1.00 0.00 H new ATOM 0 HB3 SER A 2 -0.502 12.488 10.252 1.00 0.00 H new ATOM 0 HG SER A 2 -2.362 11.267 10.917 1.00 0.00 H new ATOM 19 N SER A 3 1.284 12.961 8.501 1.00 0.00 N ATOM 20 CA SER A 3 1.543 14.009 7.529 1.00 0.00 C ATOM 21 C SER A 3 0.222 14.540 6.969 1.00 0.00 C ATOM 22 O SER A 3 -0.656 13.763 6.597 1.00 0.00 O ATOM 23 CB SER A 3 2.434 13.500 6.394 1.00 0.00 C ATOM 24 OG SER A 3 3.815 13.532 6.744 1.00 0.00 O ATOM 0 H SER A 3 1.607 13.167 9.446 1.00 0.00 H new ATOM 0 HA SER A 3 2.070 14.820 8.032 1.00 0.00 H new ATOM 0 HB2 SER A 3 2.148 12.480 6.139 1.00 0.00 H new ATOM 0 HB3 SER A 3 2.271 14.109 5.505 1.00 0.00 H new ATOM 0 HG SER A 3 4.350 13.198 5.994 1.00 0.00 H new ATOM 30 N GLY A 4 0.122 15.861 6.926 1.00 0.00 N ATOM 31 CA GLY A 4 -1.077 16.505 6.418 1.00 0.00 C ATOM 32 C GLY A 4 -2.246 16.332 7.390 1.00 0.00 C ATOM 33 O GLY A 4 -2.043 16.228 8.598 1.00 0.00 O ATOM 0 H GLY A 4 0.852 16.503 7.235 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -0.885 17.566 6.260 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -1.339 16.081 5.449 1.00 0.00 H new ATOM 37 N SER A 5 -3.445 16.307 6.825 1.00 0.00 N ATOM 38 CA SER A 5 -4.646 16.150 7.627 1.00 0.00 C ATOM 39 C SER A 5 -4.535 14.894 8.494 1.00 0.00 C ATOM 40 O SER A 5 -3.621 14.091 8.316 1.00 0.00 O ATOM 41 CB SER A 5 -5.892 16.075 6.742 1.00 0.00 C ATOM 42 OG SER A 5 -7.067 16.477 7.441 1.00 0.00 O ATOM 0 H SER A 5 -3.610 16.393 5.822 1.00 0.00 H new ATOM 0 HA SER A 5 -4.743 17.023 8.273 1.00 0.00 H new ATOM 0 HB2 SER A 5 -5.755 16.711 5.868 1.00 0.00 H new ATOM 0 HB3 SER A 5 -6.018 15.055 6.378 1.00 0.00 H new ATOM 0 HG SER A 5 -7.840 16.417 6.842 1.00 0.00 H new ATOM 48 N SER A 6 -5.479 14.765 9.415 1.00 0.00 N ATOM 49 CA SER A 6 -5.499 13.621 10.311 1.00 0.00 C ATOM 50 C SER A 6 -6.917 13.056 10.408 1.00 0.00 C ATOM 51 O SER A 6 -7.757 13.598 11.125 1.00 0.00 O ATOM 52 CB SER A 6 -4.983 14.001 11.701 1.00 0.00 C ATOM 53 OG SER A 6 -4.773 12.857 12.524 1.00 0.00 O ATOM 0 H SER A 6 -6.235 15.434 9.560 1.00 0.00 H new ATOM 0 HA SER A 6 -4.838 12.856 9.903 1.00 0.00 H new ATOM 0 HB2 SER A 6 -4.048 14.553 11.602 1.00 0.00 H new ATOM 0 HB3 SER A 6 -5.698 14.668 12.183 1.00 0.00 H new ATOM 0 HG SER A 6 -4.442 13.142 13.402 1.00 0.00 H new ATOM 59 N GLY A 7 -7.140 11.975 9.675 1.00 0.00 N ATOM 60 CA GLY A 7 -8.443 11.331 9.669 1.00 0.00 C ATOM 61 C GLY A 7 -8.316 9.836 9.966 1.00 0.00 C ATOM 62 O GLY A 7 -7.729 9.447 10.975 1.00 0.00 O ATOM 0 H GLY A 7 -6.441 11.529 9.081 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -9.088 11.800 10.412 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -8.919 11.474 8.699 1.00 0.00 H new ATOM 66 N THR A 8 -8.877 9.037 9.070 1.00 0.00 N ATOM 67 CA THR A 8 -8.834 7.593 9.223 1.00 0.00 C ATOM 68 C THR A 8 -7.450 7.058 8.854 1.00 0.00 C ATOM 69 O THR A 8 -6.988 7.245 7.729 1.00 0.00 O ATOM 70 CB THR A 8 -9.962 6.995 8.380 1.00 0.00 C ATOM 71 OG1 THR A 8 -11.150 7.520 8.966 1.00 0.00 O ATOM 72 CG2 THR A 8 -10.092 5.481 8.566 1.00 0.00 C ATOM 0 H THR A 8 -9.364 9.363 8.235 1.00 0.00 H new ATOM 0 HA THR A 8 -8.994 7.300 10.261 1.00 0.00 H new ATOM 0 HB THR A 8 -9.786 7.218 7.328 1.00 0.00 H new ATOM 0 HG1 THR A 8 -11.931 7.184 8.479 1.00 0.00 H new ATOM 0 HG21 THR A 8 -10.907 5.107 7.946 1.00 0.00 H new ATOM 0 HG22 THR A 8 -9.161 4.997 8.272 1.00 0.00 H new ATOM 0 HG23 THR A 8 -10.302 5.260 9.613 1.00 0.00 H new ATOM 80 N MET A 9 -6.825 6.404 9.822 1.00 0.00 N ATOM 81 CA MET A 9 -5.503 5.840 9.612 1.00 0.00 C ATOM 82 C MET A 9 -5.533 4.314 9.720 1.00 0.00 C ATOM 83 O MET A 9 -5.988 3.769 10.724 1.00 0.00 O ATOM 84 CB MET A 9 -4.535 6.407 10.654 1.00 0.00 C ATOM 85 CG MET A 9 -3.149 5.774 10.516 1.00 0.00 C ATOM 86 SD MET A 9 -2.578 5.205 12.109 1.00 0.00 S ATOM 87 CE MET A 9 -3.351 3.597 12.160 1.00 0.00 C ATOM 0 H MET A 9 -7.210 6.252 10.754 1.00 0.00 H new ATOM 0 HA MET A 9 -5.170 6.107 8.609 1.00 0.00 H new ATOM 0 HB2 MET A 9 -4.459 7.488 10.535 1.00 0.00 H new ATOM 0 HB3 MET A 9 -4.925 6.224 11.655 1.00 0.00 H new ATOM 0 HG2 MET A 9 -3.189 4.940 9.815 1.00 0.00 H new ATOM 0 HG3 MET A 9 -2.447 6.501 10.107 1.00 0.00 H new ATOM 0 HE1 MET A 9 -2.795 2.947 12.835 1.00 0.00 H new ATOM 0 HE2 MET A 9 -4.376 3.697 12.516 1.00 0.00 H new ATOM 0 HE3 MET A 9 -3.355 3.163 11.160 1.00 0.00 H new ATOM 97 N LEU A 10 -5.042 3.669 8.673 1.00 0.00 N ATOM 98 CA LEU A 10 -5.007 2.217 8.637 1.00 0.00 C ATOM 99 C LEU A 10 -3.567 1.741 8.836 1.00 0.00 C ATOM 100 O LEU A 10 -2.626 2.394 8.388 1.00 0.00 O ATOM 101 CB LEU A 10 -5.655 1.697 7.353 1.00 0.00 C ATOM 102 CG LEU A 10 -7.179 1.563 7.377 1.00 0.00 C ATOM 103 CD1 LEU A 10 -7.601 0.203 7.937 1.00 0.00 C ATOM 104 CD2 LEU A 10 -7.819 2.722 8.143 1.00 0.00 C ATOM 0 H LEU A 10 -4.665 4.125 7.842 1.00 0.00 H new ATOM 0 HA LEU A 10 -5.596 1.801 9.454 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -5.382 2.364 6.536 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -5.228 0.721 7.124 1.00 0.00 H new ATOM 0 HG LEU A 10 -7.543 1.615 6.351 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -8.689 0.134 7.943 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -7.190 -0.591 7.313 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -7.225 0.096 8.954 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -8.902 2.603 8.145 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -7.452 2.726 9.170 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -7.559 3.664 7.661 1.00 0.00 H new ATOM 116 N ARG A 11 -3.440 0.605 9.507 1.00 0.00 N ATOM 117 CA ARG A 11 -2.130 0.034 9.770 1.00 0.00 C ATOM 118 C ARG A 11 -1.861 -1.135 8.821 1.00 0.00 C ATOM 119 O ARG A 11 -2.356 -2.241 9.036 1.00 0.00 O ATOM 120 CB ARG A 11 -2.023 -0.456 11.216 1.00 0.00 C ATOM 121 CG ARG A 11 -0.995 0.363 11.998 1.00 0.00 C ATOM 122 CD ARG A 11 -0.744 -0.247 13.379 1.00 0.00 C ATOM 123 NE ARG A 11 -0.083 0.745 14.257 1.00 0.00 N ATOM 124 CZ ARG A 11 0.140 0.558 15.565 1.00 0.00 C ATOM 125 NH1 ARG A 11 -0.243 -0.583 16.154 1.00 0.00 N ATOM 126 NH2 ARG A 11 0.747 1.513 16.284 1.00 0.00 N ATOM 0 H ARG A 11 -4.223 0.065 9.876 1.00 0.00 H new ATOM 0 HA ARG A 11 -1.388 0.816 9.608 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -2.996 -0.383 11.701 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -1.739 -1.508 11.227 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -0.059 0.407 11.440 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -1.349 1.388 12.108 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -1.688 -0.566 13.822 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -0.120 -1.136 13.285 1.00 0.00 H new ATOM 0 HE ARG A 11 0.221 1.625 13.841 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -0.704 -1.310 15.607 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -0.073 -0.725 17.150 1.00 0.00 H new ATOM 0 HH21 ARG A 11 1.039 2.381 15.835 1.00 0.00 H new ATOM 0 HH22 ARG A 11 0.917 1.371 17.280 1.00 0.00 H new ATOM 140 N VAL A 12 -1.076 -0.852 7.792 1.00 0.00 N ATOM 141 CA VAL A 12 -0.735 -1.866 6.809 1.00 0.00 C ATOM 142 C VAL A 12 0.547 -2.581 7.244 1.00 0.00 C ATOM 143 O VAL A 12 1.353 -2.021 7.985 1.00 0.00 O ATOM 144 CB VAL A 12 -0.624 -1.233 5.420 1.00 0.00 C ATOM 145 CG1 VAL A 12 -1.704 -0.168 5.216 1.00 0.00 C ATOM 146 CG2 VAL A 12 0.772 -0.650 5.193 1.00 0.00 C ATOM 0 H VAL A 12 -0.666 0.066 7.618 1.00 0.00 H new ATOM 0 HA VAL A 12 -1.522 -2.617 6.747 1.00 0.00 H new ATOM 0 HB VAL A 12 -0.783 -2.017 4.680 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -1.603 0.266 4.221 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -2.689 -0.625 5.314 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -1.590 0.614 5.967 1.00 0.00 H new ATOM 0 HG21 VAL A 12 0.824 -0.207 4.199 1.00 0.00 H new ATOM 0 HG22 VAL A 12 0.973 0.115 5.943 1.00 0.00 H new ATOM 0 HG23 VAL A 12 1.515 -1.443 5.276 1.00 0.00 H new ATOM 156 N ARG A 13 0.694 -3.807 6.764 1.00 0.00 N ATOM 157 CA ARG A 13 1.864 -4.604 7.094 1.00 0.00 C ATOM 158 C ARG A 13 2.597 -5.023 5.819 1.00 0.00 C ATOM 159 O ARG A 13 2.010 -5.652 4.939 1.00 0.00 O ATOM 160 CB ARG A 13 1.473 -5.854 7.885 1.00 0.00 C ATOM 161 CG ARG A 13 2.707 -6.684 8.243 1.00 0.00 C ATOM 162 CD ARG A 13 3.134 -6.436 9.691 1.00 0.00 C ATOM 163 NE ARG A 13 3.246 -7.723 10.413 1.00 0.00 N ATOM 164 CZ ARG A 13 3.368 -7.830 11.743 1.00 0.00 C ATOM 165 NH1 ARG A 13 3.395 -6.727 12.504 1.00 0.00 N ATOM 166 NH2 ARG A 13 3.464 -9.039 12.312 1.00 0.00 N ATOM 0 H ARG A 13 0.023 -4.268 6.150 1.00 0.00 H new ATOM 0 HA ARG A 13 2.522 -3.990 7.709 1.00 0.00 H new ATOM 0 HB2 ARG A 13 0.949 -5.563 8.796 1.00 0.00 H new ATOM 0 HB3 ARG A 13 0.781 -6.459 7.298 1.00 0.00 H new ATOM 0 HG2 ARG A 13 2.491 -7.743 8.100 1.00 0.00 H new ATOM 0 HG3 ARG A 13 3.527 -6.432 7.570 1.00 0.00 H new ATOM 0 HD2 ARG A 13 4.090 -5.913 9.712 1.00 0.00 H new ATOM 0 HD3 ARG A 13 2.408 -5.793 10.188 1.00 0.00 H new ATOM 0 HE ARG A 13 3.229 -8.582 9.864 1.00 0.00 H new ATOM 0 HH11 ARG A 13 3.323 -5.806 12.071 1.00 0.00 H new ATOM 0 HH12 ARG A 13 3.488 -6.808 13.517 1.00 0.00 H new ATOM 0 HH21 ARG A 13 3.444 -9.878 11.733 1.00 0.00 H new ATOM 0 HH22 ARG A 13 3.557 -9.120 13.325 1.00 0.00 H new ATOM 180 N SER A 14 3.869 -4.659 5.758 1.00 0.00 N ATOM 181 CA SER A 14 4.689 -4.990 4.605 1.00 0.00 C ATOM 182 C SER A 14 5.908 -5.803 5.045 1.00 0.00 C ATOM 183 O SER A 14 6.208 -5.883 6.236 1.00 0.00 O ATOM 184 CB SER A 14 5.133 -3.727 3.864 1.00 0.00 C ATOM 185 OG SER A 14 6.123 -3.003 4.589 1.00 0.00 O ATOM 0 H SER A 14 4.353 -4.137 6.489 1.00 0.00 H new ATOM 0 HA SER A 14 4.089 -5.589 3.920 1.00 0.00 H new ATOM 0 HB2 SER A 14 5.528 -4.001 2.886 1.00 0.00 H new ATOM 0 HB3 SER A 14 4.269 -3.086 3.691 1.00 0.00 H new ATOM 0 HG SER A 14 6.265 -2.130 4.167 1.00 0.00 H new ATOM 191 N ARG A 15 6.577 -6.386 4.062 1.00 0.00 N ATOM 192 CA ARG A 15 7.757 -7.190 4.333 1.00 0.00 C ATOM 193 C ARG A 15 8.800 -6.365 5.089 1.00 0.00 C ATOM 194 O ARG A 15 9.393 -6.842 6.054 1.00 0.00 O ATOM 195 CB ARG A 15 8.375 -7.716 3.036 1.00 0.00 C ATOM 196 CG ARG A 15 8.783 -6.563 2.116 1.00 0.00 C ATOM 197 CD ARG A 15 9.085 -7.069 0.704 1.00 0.00 C ATOM 198 NE ARG A 15 10.376 -6.518 0.234 1.00 0.00 N ATOM 199 CZ ARG A 15 10.818 -6.611 -1.027 1.00 0.00 C ATOM 200 NH1 ARG A 15 10.076 -7.234 -1.953 1.00 0.00 N ATOM 201 NH2 ARG A 15 12.002 -6.082 -1.363 1.00 0.00 N ATOM 0 H ARG A 15 6.325 -6.318 3.076 1.00 0.00 H new ATOM 0 HA ARG A 15 7.447 -8.038 4.944 1.00 0.00 H new ATOM 0 HB2 ARG A 15 9.247 -8.328 3.267 1.00 0.00 H new ATOM 0 HB3 ARG A 15 7.660 -8.360 2.523 1.00 0.00 H new ATOM 0 HG2 ARG A 15 7.983 -5.823 2.078 1.00 0.00 H new ATOM 0 HG3 ARG A 15 9.662 -6.062 2.522 1.00 0.00 H new ATOM 0 HD2 ARG A 15 9.122 -8.158 0.699 1.00 0.00 H new ATOM 0 HD3 ARG A 15 8.285 -6.774 0.024 1.00 0.00 H new ATOM 0 HE ARG A 15 10.966 -6.037 0.913 1.00 0.00 H new ATOM 0 HH11 ARG A 15 9.175 -7.637 -1.698 1.00 0.00 H new ATOM 0 HH12 ARG A 15 10.413 -7.305 -2.913 1.00 0.00 H new ATOM 0 HH21 ARG A 15 12.567 -5.608 -0.658 1.00 0.00 H new ATOM 0 HH22 ARG A 15 12.338 -6.153 -2.323 1.00 0.00 H new ATOM 215 N ASP A 16 8.991 -5.140 4.620 1.00 0.00 N ATOM 216 CA ASP A 16 9.952 -4.244 5.240 1.00 0.00 C ATOM 217 C ASP A 16 9.517 -3.951 6.677 1.00 0.00 C ATOM 218 O ASP A 16 10.355 -3.768 7.559 1.00 0.00 O ATOM 219 CB ASP A 16 10.028 -2.913 4.489 1.00 0.00 C ATOM 220 CG ASP A 16 11.149 -2.818 3.453 1.00 0.00 C ATOM 221 OD1 ASP A 16 11.610 -3.895 3.015 1.00 0.00 O ATOM 222 OD2 ASP A 16 11.521 -1.672 3.122 1.00 0.00 O ATOM 0 H ASP A 16 8.497 -4.748 3.819 1.00 0.00 H new ATOM 0 HA ASP A 16 10.928 -4.728 5.216 1.00 0.00 H new ATOM 0 HB2 ASP A 16 9.075 -2.741 3.988 1.00 0.00 H new ATOM 0 HB3 ASP A 16 10.156 -2.110 5.215 1.00 0.00 H new ATOM 227 N GLY A 17 8.206 -3.916 6.870 1.00 0.00 N ATOM 228 CA GLY A 17 7.650 -3.649 8.185 1.00 0.00 C ATOM 229 C GLY A 17 6.239 -3.066 8.075 1.00 0.00 C ATOM 230 O GLY A 17 5.691 -2.960 6.979 1.00 0.00 O ATOM 0 H GLY A 17 7.513 -4.068 6.137 1.00 0.00 H new ATOM 0 HA2 GLY A 17 7.622 -4.571 8.766 1.00 0.00 H new ATOM 0 HA3 GLY A 17 8.294 -2.953 8.722 1.00 0.00 H new ATOM 234 N LEU A 18 5.692 -2.703 9.226 1.00 0.00 N ATOM 235 CA LEU A 18 4.357 -2.134 9.274 1.00 0.00 C ATOM 236 C LEU A 18 4.410 -0.680 8.800 1.00 0.00 C ATOM 237 O LEU A 18 5.245 0.097 9.261 1.00 0.00 O ATOM 238 CB LEU A 18 3.750 -2.304 10.668 1.00 0.00 C ATOM 239 CG LEU A 18 2.494 -1.481 10.958 1.00 0.00 C ATOM 240 CD1 LEU A 18 1.229 -2.308 10.716 1.00 0.00 C ATOM 241 CD2 LEU A 18 2.535 -0.898 12.372 1.00 0.00 C ATOM 0 H LEU A 18 6.150 -2.792 10.133 1.00 0.00 H new ATOM 0 HA LEU A 18 3.692 -2.668 8.595 1.00 0.00 H new ATOM 0 HB2 LEU A 18 3.511 -3.358 10.812 1.00 0.00 H new ATOM 0 HB3 LEU A 18 4.508 -2.045 11.407 1.00 0.00 H new ATOM 0 HG LEU A 18 2.468 -0.641 10.264 1.00 0.00 H new ATOM 0 HD11 LEU A 18 0.350 -1.700 10.929 1.00 0.00 H new ATOM 0 HD12 LEU A 18 1.201 -2.634 9.676 1.00 0.00 H new ATOM 0 HD13 LEU A 18 1.234 -3.180 11.370 1.00 0.00 H new ATOM 0 HD21 LEU A 18 1.630 -0.317 12.553 1.00 0.00 H new ATOM 0 HD22 LEU A 18 2.597 -1.709 13.098 1.00 0.00 H new ATOM 0 HD23 LEU A 18 3.407 -0.252 12.474 1.00 0.00 H new ATOM 253 N GLU A 19 3.507 -0.355 7.886 1.00 0.00 N ATOM 254 CA GLU A 19 3.440 0.992 7.345 1.00 0.00 C ATOM 255 C GLU A 19 2.057 1.596 7.595 1.00 0.00 C ATOM 256 O GLU A 19 1.067 0.872 7.686 1.00 0.00 O ATOM 257 CB GLU A 19 3.782 1.001 5.854 1.00 0.00 C ATOM 258 CG GLU A 19 5.297 1.006 5.639 1.00 0.00 C ATOM 259 CD GLU A 19 5.656 0.448 4.261 1.00 0.00 C ATOM 260 OE1 GLU A 19 5.301 1.117 3.267 1.00 0.00 O ATOM 261 OE2 GLU A 19 6.279 -0.636 4.232 1.00 0.00 O ATOM 0 H GLU A 19 2.816 -1.002 7.506 1.00 0.00 H new ATOM 0 HA GLU A 19 4.180 1.606 7.857 1.00 0.00 H new ATOM 0 HB2 GLU A 19 3.346 0.126 5.372 1.00 0.00 H new ATOM 0 HB3 GLU A 19 3.341 1.879 5.381 1.00 0.00 H new ATOM 0 HG2 GLU A 19 5.678 2.023 5.734 1.00 0.00 H new ATOM 0 HG3 GLU A 19 5.780 0.410 6.414 1.00 0.00 H new ATOM 268 N ARG A 20 2.033 2.917 7.698 1.00 0.00 N ATOM 269 CA ARG A 20 0.788 3.627 7.935 1.00 0.00 C ATOM 270 C ARG A 20 0.304 4.295 6.647 1.00 0.00 C ATOM 271 O ARG A 20 1.099 4.564 5.747 1.00 0.00 O ATOM 272 CB ARG A 20 0.959 4.691 9.021 1.00 0.00 C ATOM 273 CG ARG A 20 1.484 4.072 10.318 1.00 0.00 C ATOM 274 CD ARG A 20 0.331 3.601 11.207 1.00 0.00 C ATOM 275 NE ARG A 20 0.483 4.156 12.570 1.00 0.00 N ATOM 276 CZ ARG A 20 1.472 3.824 13.411 1.00 0.00 C ATOM 277 NH1 ARG A 20 2.402 2.937 13.033 1.00 0.00 N ATOM 278 NH2 ARG A 20 1.530 4.379 14.629 1.00 0.00 N ATOM 0 H ARG A 20 2.856 3.514 7.622 1.00 0.00 H new ATOM 0 HA ARG A 20 0.049 2.899 8.269 1.00 0.00 H new ATOM 0 HB2 ARG A 20 1.650 5.460 8.676 1.00 0.00 H new ATOM 0 HB3 ARG A 20 0.004 5.181 9.209 1.00 0.00 H new ATOM 0 HG2 ARG A 20 2.136 3.230 10.085 1.00 0.00 H new ATOM 0 HG3 ARG A 20 2.087 4.803 10.856 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -0.621 3.918 10.781 1.00 0.00 H new ATOM 0 HD3 ARG A 20 0.315 2.512 11.249 1.00 0.00 H new ATOM 0 HE ARG A 20 -0.209 4.834 12.890 1.00 0.00 H new ATOM 0 HH11 ARG A 20 2.357 2.515 12.106 1.00 0.00 H new ATOM 0 HH12 ARG A 20 3.155 2.684 13.673 1.00 0.00 H new ATOM 0 HH21 ARG A 20 0.821 5.054 14.916 1.00 0.00 H new ATOM 0 HH22 ARG A 20 2.283 4.126 15.269 1.00 0.00 H new ATOM 292 N VAL A 21 -0.996 4.544 6.599 1.00 0.00 N ATOM 293 CA VAL A 21 -1.595 5.176 5.436 1.00 0.00 C ATOM 294 C VAL A 21 -2.912 5.839 5.842 1.00 0.00 C ATOM 295 O VAL A 21 -3.600 5.361 6.743 1.00 0.00 O ATOM 296 CB VAL A 21 -1.763 4.152 4.312 1.00 0.00 C ATOM 297 CG1 VAL A 21 -2.463 4.774 3.103 1.00 0.00 C ATOM 298 CG2 VAL A 21 -0.415 3.548 3.914 1.00 0.00 C ATOM 0 H VAL A 21 -1.652 4.319 7.347 1.00 0.00 H new ATOM 0 HA VAL A 21 -0.943 5.959 5.049 1.00 0.00 H new ATOM 0 HB VAL A 21 -2.394 3.346 4.686 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -2.570 4.024 2.319 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -3.449 5.133 3.398 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -1.870 5.609 2.729 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -0.563 2.823 3.113 1.00 0.00 H new ATOM 0 HG22 VAL A 21 0.251 4.339 3.569 1.00 0.00 H new ATOM 0 HG23 VAL A 21 0.029 3.050 4.776 1.00 0.00 H new ATOM 308 N SER A 22 -3.224 6.931 5.159 1.00 0.00 N ATOM 309 CA SER A 22 -4.447 7.664 5.438 1.00 0.00 C ATOM 310 C SER A 22 -5.487 7.379 4.353 1.00 0.00 C ATOM 311 O SER A 22 -5.188 7.464 3.163 1.00 0.00 O ATOM 312 CB SER A 22 -4.178 9.168 5.533 1.00 0.00 C ATOM 313 OG SER A 22 -5.260 9.866 6.143 1.00 0.00 O ATOM 0 H SER A 22 -2.651 7.326 4.413 1.00 0.00 H new ATOM 0 HA SER A 22 -4.834 7.330 6.400 1.00 0.00 H new ATOM 0 HB2 SER A 22 -3.267 9.338 6.107 1.00 0.00 H new ATOM 0 HB3 SER A 22 -4.005 9.569 4.534 1.00 0.00 H new ATOM 0 HG SER A 22 -5.049 10.822 6.187 1.00 0.00 H new ATOM 319 N VAL A 23 -6.688 7.046 4.803 1.00 0.00 N ATOM 320 CA VAL A 23 -7.775 6.747 3.885 1.00 0.00 C ATOM 321 C VAL A 23 -8.924 7.729 4.126 1.00 0.00 C ATOM 322 O VAL A 23 -8.744 8.752 4.784 1.00 0.00 O ATOM 323 CB VAL A 23 -8.197 5.284 4.033 1.00 0.00 C ATOM 324 CG1 VAL A 23 -6.979 4.358 4.020 1.00 0.00 C ATOM 325 CG2 VAL A 23 -9.029 5.079 5.300 1.00 0.00 C ATOM 0 H VAL A 23 -6.933 6.977 5.791 1.00 0.00 H new ATOM 0 HA VAL A 23 -7.450 6.874 2.852 1.00 0.00 H new ATOM 0 HB VAL A 23 -8.822 5.027 3.177 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -7.307 3.324 4.127 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -6.444 4.474 3.077 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -6.317 4.616 4.847 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -9.316 4.031 5.381 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -8.440 5.362 6.172 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -9.925 5.698 5.251 1.00 0.00 H new ATOM 335 N ASP A 24 -10.080 7.382 3.579 1.00 0.00 N ATOM 336 CA ASP A 24 -11.258 8.219 3.726 1.00 0.00 C ATOM 337 C ASP A 24 -12.291 7.492 4.589 1.00 0.00 C ATOM 338 O ASP A 24 -12.921 8.098 5.453 1.00 0.00 O ATOM 339 CB ASP A 24 -11.899 8.512 2.368 1.00 0.00 C ATOM 340 CG ASP A 24 -11.138 9.514 1.497 1.00 0.00 C ATOM 341 OD1 ASP A 24 -10.778 10.580 2.041 1.00 0.00 O ATOM 342 OD2 ASP A 24 -10.933 9.191 0.307 1.00 0.00 O ATOM 0 H ASP A 24 -10.226 6.533 3.033 1.00 0.00 H new ATOM 0 HA ASP A 24 -10.949 9.156 4.189 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -11.995 7.575 1.819 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -12.908 8.890 2.533 1.00 0.00 H new ATOM 347 N GLY A 25 -12.433 6.201 4.323 1.00 0.00 N ATOM 348 CA GLY A 25 -13.379 5.385 5.065 1.00 0.00 C ATOM 349 C GLY A 25 -13.734 4.115 4.288 1.00 0.00 C ATOM 350 O GLY A 25 -13.034 3.742 3.348 1.00 0.00 O ATOM 0 H GLY A 25 -11.909 5.701 3.605 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -12.954 5.117 6.032 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -14.284 5.960 5.263 1.00 0.00 H new ATOM 354 N PRO A 26 -14.851 3.470 4.720 1.00 0.00 N ATOM 355 CA PRO A 26 -15.308 2.251 4.076 1.00 0.00 C ATOM 356 C PRO A 26 -15.964 2.555 2.727 1.00 0.00 C ATOM 357 O PRO A 26 -16.005 1.699 1.845 1.00 0.00 O ATOM 358 CB PRO A 26 -16.264 1.614 5.071 1.00 0.00 C ATOM 359 CG PRO A 26 -16.665 2.722 6.031 1.00 0.00 C ATOM 360 CD PRO A 26 -15.705 3.883 5.830 1.00 0.00 C ATOM 0 HA PRO A 26 -14.491 1.570 3.838 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -17.137 1.201 4.565 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -15.784 0.792 5.602 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -17.691 3.038 5.842 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -16.625 2.368 7.061 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -16.240 4.803 5.597 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -15.120 4.074 6.730 1.00 0.00 H new ATOM 368 N HIS A 27 -16.460 3.778 2.610 1.00 0.00 N ATOM 369 CA HIS A 27 -17.112 4.207 1.384 1.00 0.00 C ATOM 370 C HIS A 27 -16.163 4.007 0.201 1.00 0.00 C ATOM 371 O HIS A 27 -16.597 3.976 -0.949 1.00 0.00 O ATOM 372 CB HIS A 27 -17.610 5.648 1.509 1.00 0.00 C ATOM 373 CG HIS A 27 -16.580 6.608 2.056 1.00 0.00 C ATOM 374 ND1 HIS A 27 -16.794 7.973 2.131 1.00 0.00 N ATOM 375 CD2 HIS A 27 -15.330 6.386 2.553 1.00 0.00 C ATOM 376 CE1 HIS A 27 -15.714 8.538 2.651 1.00 0.00 C ATOM 377 NE2 HIS A 27 -14.807 7.552 2.911 1.00 0.00 N ATOM 0 H HIS A 27 -16.424 4.485 3.344 1.00 0.00 H new ATOM 0 HA HIS A 27 -17.995 3.594 1.204 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -17.932 5.997 0.528 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -18.487 5.664 2.156 1.00 0.00 H new ATOM 0 HD1 HIS A 27 -17.640 8.461 1.836 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -14.847 5.424 2.641 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -15.576 9.593 2.836 1.00 0.00 H new ATOM 385 N ILE A 28 -14.885 3.878 0.525 1.00 0.00 N ATOM 386 CA ILE A 28 -13.870 3.682 -0.497 1.00 0.00 C ATOM 387 C ILE A 28 -13.734 2.187 -0.795 1.00 0.00 C ATOM 388 O ILE A 28 -14.022 1.352 0.060 1.00 0.00 O ATOM 389 CB ILE A 28 -12.557 4.348 -0.083 1.00 0.00 C ATOM 390 CG1 ILE A 28 -11.845 3.532 0.999 1.00 0.00 C ATOM 391 CG2 ILE A 28 -12.790 5.797 0.353 1.00 0.00 C ATOM 392 CD1 ILE A 28 -10.624 2.811 0.426 1.00 0.00 C ATOM 0 H ILE A 28 -14.529 3.905 1.480 1.00 0.00 H new ATOM 0 HA ILE A 28 -14.167 4.167 -1.427 1.00 0.00 H new ATOM 0 HB ILE A 28 -11.899 4.375 -0.952 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -11.536 4.190 1.811 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -12.536 2.804 1.424 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -11.840 6.247 0.642 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -13.222 6.361 -0.474 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -13.474 5.816 1.202 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -10.136 2.239 1.215 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -10.940 2.136 -0.370 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -9.924 3.544 0.024 1.00 0.00 H new ATOM 404 N THR A 29 -13.296 1.897 -2.011 1.00 0.00 N ATOM 405 CA THR A 29 -13.118 0.517 -2.432 1.00 0.00 C ATOM 406 C THR A 29 -11.630 0.187 -2.562 1.00 0.00 C ATOM 407 O THR A 29 -10.783 1.075 -2.474 1.00 0.00 O ATOM 408 CB THR A 29 -13.901 0.315 -3.731 1.00 0.00 C ATOM 409 OG1 THR A 29 -13.337 1.267 -4.628 1.00 0.00 O ATOM 410 CG2 THR A 29 -15.364 0.744 -3.605 1.00 0.00 C ATOM 0 H THR A 29 -13.059 2.593 -2.718 1.00 0.00 H new ATOM 0 HA THR A 29 -13.509 -0.177 -1.688 1.00 0.00 H new ATOM 0 HB THR A 29 -13.854 -0.734 -4.024 1.00 0.00 H new ATOM 0 HG1 THR A 29 -13.828 1.248 -5.476 1.00 0.00 H new ATOM 0 HG21 THR A 29 -15.874 0.580 -4.554 1.00 0.00 H new ATOM 0 HG22 THR A 29 -15.850 0.157 -2.826 1.00 0.00 H new ATOM 0 HG23 THR A 29 -15.412 1.802 -3.345 1.00 0.00 H new ATOM 418 N VAL A 30 -11.356 -1.093 -2.770 1.00 0.00 N ATOM 419 CA VAL A 30 -9.985 -1.551 -2.913 1.00 0.00 C ATOM 420 C VAL A 30 -9.272 -0.694 -3.960 1.00 0.00 C ATOM 421 O VAL A 30 -8.096 -0.367 -3.804 1.00 0.00 O ATOM 422 CB VAL A 30 -9.965 -3.044 -3.249 1.00 0.00 C ATOM 423 CG1 VAL A 30 -8.557 -3.499 -3.639 1.00 0.00 C ATOM 424 CG2 VAL A 30 -10.507 -3.875 -2.084 1.00 0.00 C ATOM 0 H VAL A 30 -12.061 -1.827 -2.843 1.00 0.00 H new ATOM 0 HA VAL A 30 -9.444 -1.435 -1.974 1.00 0.00 H new ATOM 0 HB VAL A 30 -10.618 -3.204 -4.107 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -8.570 -4.564 -3.873 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -8.223 -2.940 -4.513 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -7.873 -3.318 -2.809 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -10.482 -4.932 -2.349 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -9.891 -3.707 -1.200 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -11.534 -3.578 -1.872 1.00 0.00 H new ATOM 434 N SER A 31 -10.013 -0.353 -5.005 1.00 0.00 N ATOM 435 CA SER A 31 -9.466 0.460 -6.077 1.00 0.00 C ATOM 436 C SER A 31 -8.894 1.760 -5.509 1.00 0.00 C ATOM 437 O SER A 31 -7.785 2.160 -5.859 1.00 0.00 O ATOM 438 CB SER A 31 -10.529 0.765 -7.134 1.00 0.00 C ATOM 439 OG SER A 31 -11.525 1.661 -6.647 1.00 0.00 O ATOM 0 H SER A 31 -10.988 -0.625 -5.131 1.00 0.00 H new ATOM 0 HA SER A 31 -8.665 -0.102 -6.557 1.00 0.00 H new ATOM 0 HB2 SER A 31 -10.052 1.197 -8.014 1.00 0.00 H new ATOM 0 HB3 SER A 31 -11.002 -0.164 -7.452 1.00 0.00 H new ATOM 0 HG SER A 31 -11.967 1.266 -5.867 1.00 0.00 H new ATOM 445 N GLN A 32 -9.677 2.384 -4.641 1.00 0.00 N ATOM 446 CA GLN A 32 -9.263 3.631 -4.020 1.00 0.00 C ATOM 447 C GLN A 32 -8.179 3.368 -2.972 1.00 0.00 C ATOM 448 O GLN A 32 -7.273 4.180 -2.794 1.00 0.00 O ATOM 449 CB GLN A 32 -10.458 4.360 -3.403 1.00 0.00 C ATOM 450 CG GLN A 32 -11.507 4.691 -4.466 1.00 0.00 C ATOM 451 CD GLN A 32 -12.037 6.115 -4.287 1.00 0.00 C ATOM 452 OE1 GLN A 32 -11.338 7.095 -4.487 1.00 0.00 O ATOM 453 NE2 GLN A 32 -13.308 6.175 -3.902 1.00 0.00 N ATOM 0 H GLN A 32 -10.596 2.049 -4.353 1.00 0.00 H new ATOM 0 HA GLN A 32 -8.845 4.277 -4.792 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -10.905 3.740 -2.626 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -10.120 5.278 -2.922 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -11.070 4.584 -5.459 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -12.332 3.981 -4.402 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -13.837 5.316 -3.752 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -13.755 7.080 -3.756 1.00 0.00 H new ATOM 462 N LEU A 33 -8.310 2.230 -2.306 1.00 0.00 N ATOM 463 CA LEU A 33 -7.353 1.850 -1.280 1.00 0.00 C ATOM 464 C LEU A 33 -5.972 1.680 -1.915 1.00 0.00 C ATOM 465 O LEU A 33 -4.996 2.273 -1.457 1.00 0.00 O ATOM 466 CB LEU A 33 -7.840 0.611 -0.527 1.00 0.00 C ATOM 467 CG LEU A 33 -6.865 0.020 0.494 1.00 0.00 C ATOM 468 CD1 LEU A 33 -6.150 1.126 1.273 1.00 0.00 C ATOM 469 CD2 LEU A 33 -7.575 -0.968 1.422 1.00 0.00 C ATOM 0 H LEU A 33 -9.064 1.559 -2.456 1.00 0.00 H new ATOM 0 HA LEU A 33 -7.265 2.637 -0.531 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -8.766 0.865 -0.011 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -8.083 -0.161 -1.257 1.00 0.00 H new ATOM 0 HG LEU A 33 -6.101 -0.539 -0.047 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -5.463 0.679 1.992 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -5.592 1.756 0.581 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -6.885 1.732 1.802 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -6.860 -1.373 2.138 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -8.373 -0.454 1.958 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -7.999 -1.781 0.832 1.00 0.00 H new ATOM 481 N LYS A 34 -5.932 0.867 -2.961 1.00 0.00 N ATOM 482 CA LYS A 34 -4.686 0.611 -3.663 1.00 0.00 C ATOM 483 C LYS A 34 -4.023 1.944 -4.017 1.00 0.00 C ATOM 484 O LYS A 34 -2.962 2.273 -3.489 1.00 0.00 O ATOM 485 CB LYS A 34 -4.929 -0.295 -4.872 1.00 0.00 C ATOM 486 CG LYS A 34 -4.431 -1.716 -4.600 1.00 0.00 C ATOM 487 CD LYS A 34 -5.534 -2.743 -4.861 1.00 0.00 C ATOM 488 CE LYS A 34 -5.075 -4.151 -4.476 1.00 0.00 C ATOM 489 NZ LYS A 34 -5.488 -5.131 -5.505 1.00 0.00 N ATOM 0 H LYS A 34 -6.743 0.377 -3.339 1.00 0.00 H new ATOM 0 HA LYS A 34 -3.991 0.069 -3.022 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -5.993 -0.317 -5.106 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -4.419 0.112 -5.745 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -3.571 -1.931 -5.234 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -4.093 -1.795 -3.567 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -6.424 -2.478 -4.291 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -5.813 -2.723 -5.915 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -3.991 -4.168 -4.363 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -5.500 -4.427 -3.511 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -5.168 -6.081 -5.228 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -6.524 -5.126 -5.593 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -5.062 -4.875 -6.419 1.00 0.00 H new ATOM 503 N THR A 35 -4.675 2.674 -4.910 1.00 0.00 N ATOM 504 CA THR A 35 -4.162 3.964 -5.340 1.00 0.00 C ATOM 505 C THR A 35 -3.500 4.692 -4.169 1.00 0.00 C ATOM 506 O THR A 35 -2.361 5.145 -4.279 1.00 0.00 O ATOM 507 CB THR A 35 -5.317 4.747 -5.968 1.00 0.00 C ATOM 508 OG1 THR A 35 -5.698 3.960 -7.093 1.00 0.00 O ATOM 509 CG2 THR A 35 -4.861 6.074 -6.579 1.00 0.00 C ATOM 0 H THR A 35 -5.554 2.397 -5.348 1.00 0.00 H new ATOM 0 HA THR A 35 -3.382 3.848 -6.092 1.00 0.00 H new ATOM 0 HB THR A 35 -6.079 4.938 -5.213 1.00 0.00 H new ATOM 0 HG1 THR A 35 -6.431 3.361 -6.840 1.00 0.00 H new ATOM 0 HG21 THR A 35 -5.719 6.590 -7.011 1.00 0.00 H new ATOM 0 HG22 THR A 35 -4.415 6.697 -5.804 1.00 0.00 H new ATOM 0 HG23 THR A 35 -4.124 5.881 -7.358 1.00 0.00 H new ATOM 517 N LEU A 36 -4.241 4.783 -3.075 1.00 0.00 N ATOM 518 CA LEU A 36 -3.740 5.449 -1.885 1.00 0.00 C ATOM 519 C LEU A 36 -2.356 4.895 -1.540 1.00 0.00 C ATOM 520 O LEU A 36 -1.350 5.586 -1.697 1.00 0.00 O ATOM 521 CB LEU A 36 -4.750 5.335 -0.741 1.00 0.00 C ATOM 522 CG LEU A 36 -5.931 6.307 -0.790 1.00 0.00 C ATOM 523 CD1 LEU A 36 -6.893 6.059 0.374 1.00 0.00 C ATOM 524 CD2 LEU A 36 -5.445 7.757 -0.834 1.00 0.00 C ATOM 0 H LEU A 36 -5.185 4.406 -2.988 1.00 0.00 H new ATOM 0 HA LEU A 36 -3.620 6.517 -2.069 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -5.142 4.318 -0.729 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -4.221 5.484 0.200 1.00 0.00 H new ATOM 0 HG LEU A 36 -6.486 6.126 -1.710 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -7.723 6.763 0.316 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -7.276 5.040 0.318 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -6.365 6.197 1.318 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -6.304 8.428 -0.868 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -4.854 7.970 0.057 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -4.831 7.908 -1.722 1.00 0.00 H new ATOM 536 N ILE A 37 -2.349 3.654 -1.076 1.00 0.00 N ATOM 537 CA ILE A 37 -1.105 3.000 -0.708 1.00 0.00 C ATOM 538 C ILE A 37 -0.125 3.081 -1.880 1.00 0.00 C ATOM 539 O ILE A 37 1.079 3.230 -1.678 1.00 0.00 O ATOM 540 CB ILE A 37 -1.372 1.572 -0.228 1.00 0.00 C ATOM 541 CG1 ILE A 37 -2.152 1.573 1.089 1.00 0.00 C ATOM 542 CG2 ILE A 37 -0.070 0.776 -0.122 1.00 0.00 C ATOM 543 CD1 ILE A 37 -3.111 0.384 1.160 1.00 0.00 C ATOM 0 H ILE A 37 -3.185 3.084 -0.947 1.00 0.00 H new ATOM 0 HA ILE A 37 -0.640 3.513 0.134 1.00 0.00 H new ATOM 0 HB ILE A 37 -1.994 1.073 -0.971 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -1.457 1.534 1.927 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -2.713 2.503 1.183 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -0.289 -0.235 0.221 1.00 0.00 H new ATOM 0 HG22 ILE A 37 0.410 0.732 -1.100 1.00 0.00 H new ATOM 0 HG23 ILE A 37 0.598 1.264 0.588 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -3.652 0.409 2.106 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -3.820 0.439 0.334 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -2.545 -0.545 1.091 1.00 0.00 H new ATOM 555 N GLN A 38 -0.677 2.978 -3.080 1.00 0.00 N ATOM 556 CA GLN A 38 0.133 3.038 -4.285 1.00 0.00 C ATOM 557 C GLN A 38 0.732 4.436 -4.452 1.00 0.00 C ATOM 558 O GLN A 38 1.741 4.605 -5.135 1.00 0.00 O ATOM 559 CB GLN A 38 -0.684 2.641 -5.516 1.00 0.00 C ATOM 560 CG GLN A 38 -0.059 3.204 -6.794 1.00 0.00 C ATOM 561 CD GLN A 38 -0.666 4.564 -7.147 1.00 0.00 C ATOM 562 OE1 GLN A 38 -0.444 5.563 -6.484 1.00 0.00 O ATOM 563 NE2 GLN A 38 -1.444 4.545 -8.226 1.00 0.00 N ATOM 0 H GLN A 38 -1.676 2.853 -3.244 1.00 0.00 H new ATOM 0 HA GLN A 38 0.950 2.323 -4.186 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -0.742 1.555 -5.583 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -1.705 3.009 -5.414 1.00 0.00 H new ATOM 0 HG2 GLN A 38 1.018 3.305 -6.662 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -0.215 2.507 -7.617 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -1.588 3.673 -8.736 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -1.897 5.402 -8.544 1.00 0.00 H new ATOM 572 N ASP A 39 0.086 5.402 -3.817 1.00 0.00 N ATOM 573 CA ASP A 39 0.542 6.780 -3.888 1.00 0.00 C ATOM 574 C ASP A 39 1.461 7.070 -2.699 1.00 0.00 C ATOM 575 O ASP A 39 2.564 7.585 -2.874 1.00 0.00 O ATOM 576 CB ASP A 39 -0.636 7.754 -3.823 1.00 0.00 C ATOM 577 CG ASP A 39 -0.364 9.137 -4.418 1.00 0.00 C ATOM 578 OD1 ASP A 39 0.832 9.458 -4.586 1.00 0.00 O ATOM 579 OD2 ASP A 39 -1.359 9.843 -4.691 1.00 0.00 O ATOM 0 H ASP A 39 -0.750 5.258 -3.251 1.00 0.00 H new ATOM 0 HA ASP A 39 1.068 6.913 -4.833 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -1.484 7.311 -4.345 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -0.931 7.875 -2.781 1.00 0.00 H new ATOM 584 N GLN A 40 0.973 6.725 -1.517 1.00 0.00 N ATOM 585 CA GLN A 40 1.737 6.942 -0.300 1.00 0.00 C ATOM 586 C GLN A 40 2.970 6.037 -0.279 1.00 0.00 C ATOM 587 O GLN A 40 4.099 6.521 -0.215 1.00 0.00 O ATOM 588 CB GLN A 40 0.869 6.715 0.940 1.00 0.00 C ATOM 589 CG GLN A 40 -0.010 7.934 1.225 1.00 0.00 C ATOM 590 CD GLN A 40 -1.016 7.636 2.338 1.00 0.00 C ATOM 591 OE1 GLN A 40 -0.679 7.542 3.506 1.00 0.00 O ATOM 592 NE2 GLN A 40 -2.268 7.494 1.911 1.00 0.00 N ATOM 0 H GLN A 40 0.058 6.297 -1.376 1.00 0.00 H new ATOM 0 HA GLN A 40 2.071 7.979 -0.284 1.00 0.00 H new ATOM 0 HB2 GLN A 40 0.241 5.836 0.793 1.00 0.00 H new ATOM 0 HB3 GLN A 40 1.505 6.512 1.801 1.00 0.00 H new ATOM 0 HG2 GLN A 40 0.616 8.779 1.512 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -0.541 8.224 0.318 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -2.482 7.585 0.918 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -3.014 7.294 2.577 1.00 0.00 H new ATOM 601 N LEU A 41 2.713 4.738 -0.334 1.00 0.00 N ATOM 602 CA LEU A 41 3.788 3.761 -0.323 1.00 0.00 C ATOM 603 C LEU A 41 4.512 3.789 -1.670 1.00 0.00 C ATOM 604 O LEU A 41 5.589 3.212 -1.813 1.00 0.00 O ATOM 605 CB LEU A 41 3.252 2.379 0.058 1.00 0.00 C ATOM 606 CG LEU A 41 2.420 2.313 1.340 1.00 0.00 C ATOM 607 CD1 LEU A 41 2.460 0.909 1.948 1.00 0.00 C ATOM 608 CD2 LEU A 41 2.864 3.383 2.339 1.00 0.00 C ATOM 0 H LEU A 41 1.775 4.340 -0.386 1.00 0.00 H new ATOM 0 HA LEU A 41 4.524 4.014 0.440 1.00 0.00 H new ATOM 0 HB2 LEU A 41 2.643 2.007 -0.766 1.00 0.00 H new ATOM 0 HB3 LEU A 41 4.098 1.699 0.162 1.00 0.00 H new ATOM 0 HG LEU A 41 1.382 2.524 1.084 1.00 0.00 H new ATOM 0 HD11 LEU A 41 1.861 0.889 2.858 1.00 0.00 H new ATOM 0 HD12 LEU A 41 2.058 0.191 1.233 1.00 0.00 H new ATOM 0 HD13 LEU A 41 3.490 0.645 2.186 1.00 0.00 H new ATOM 0 HD21 LEU A 41 2.256 3.313 3.241 1.00 0.00 H new ATOM 0 HD22 LEU A 41 3.912 3.229 2.595 1.00 0.00 H new ATOM 0 HD23 LEU A 41 2.741 4.370 1.894 1.00 0.00 H new ATOM 620 N GLN A 42 3.891 4.467 -2.625 1.00 0.00 N ATOM 621 CA GLN A 42 4.463 4.578 -3.956 1.00 0.00 C ATOM 622 C GLN A 42 4.677 3.189 -4.560 1.00 0.00 C ATOM 623 O GLN A 42 5.731 2.910 -5.128 1.00 0.00 O ATOM 624 CB GLN A 42 5.772 5.370 -3.926 1.00 0.00 C ATOM 625 CG GLN A 42 5.504 6.864 -3.729 1.00 0.00 C ATOM 626 CD GLN A 42 4.848 7.472 -4.971 1.00 0.00 C ATOM 627 OE1 GLN A 42 4.896 6.925 -6.060 1.00 0.00 O ATOM 628 NE2 GLN A 42 4.235 8.630 -4.746 1.00 0.00 N ATOM 0 H GLN A 42 2.998 4.945 -2.503 1.00 0.00 H new ATOM 0 HA GLN A 42 3.761 5.123 -4.587 1.00 0.00 H new ATOM 0 HB2 GLN A 42 6.406 5.001 -3.120 1.00 0.00 H new ATOM 0 HB3 GLN A 42 6.317 5.214 -4.857 1.00 0.00 H new ATOM 0 HG2 GLN A 42 4.858 7.010 -2.864 1.00 0.00 H new ATOM 0 HG3 GLN A 42 6.440 7.380 -3.518 1.00 0.00 H new ATOM 0 HE21 GLN A 42 4.233 9.032 -3.809 1.00 0.00 H new ATOM 0 HE22 GLN A 42 3.767 9.116 -5.511 1.00 0.00 H new ATOM 637 N ILE A 43 3.658 2.353 -4.417 1.00 0.00 N ATOM 638 CA ILE A 43 3.721 1.000 -4.941 1.00 0.00 C ATOM 639 C ILE A 43 2.659 0.828 -6.028 1.00 0.00 C ATOM 640 O ILE A 43 1.553 1.354 -5.909 1.00 0.00 O ATOM 641 CB ILE A 43 3.610 -0.020 -3.806 1.00 0.00 C ATOM 642 CG1 ILE A 43 4.641 0.262 -2.711 1.00 0.00 C ATOM 643 CG2 ILE A 43 3.718 -1.450 -4.341 1.00 0.00 C ATOM 644 CD1 ILE A 43 4.182 -0.305 -1.367 1.00 0.00 C ATOM 0 H ILE A 43 2.784 2.587 -3.946 1.00 0.00 H new ATOM 0 HA ILE A 43 4.688 0.818 -5.409 1.00 0.00 H new ATOM 0 HB ILE A 43 2.624 0.081 -3.352 1.00 0.00 H new ATOM 0 HG12 ILE A 43 5.599 -0.178 -2.987 1.00 0.00 H new ATOM 0 HG13 ILE A 43 4.797 1.337 -2.622 1.00 0.00 H new ATOM 0 HG21 ILE A 43 3.636 -2.155 -3.514 1.00 0.00 H new ATOM 0 HG22 ILE A 43 2.915 -1.633 -5.055 1.00 0.00 H new ATOM 0 HG23 ILE A 43 4.680 -1.582 -4.836 1.00 0.00 H new ATOM 0 HD11 ILE A 43 4.933 -0.091 -0.606 1.00 0.00 H new ATOM 0 HD12 ILE A 43 3.236 0.155 -1.082 1.00 0.00 H new ATOM 0 HD13 ILE A 43 4.050 -1.384 -1.453 1.00 0.00 H new ATOM 656 N PRO A 44 3.042 0.072 -7.092 1.00 0.00 N ATOM 657 CA PRO A 44 2.134 -0.175 -8.200 1.00 0.00 C ATOM 658 C PRO A 44 1.063 -1.197 -7.814 1.00 0.00 C ATOM 659 O PRO A 44 1.374 -2.242 -7.244 1.00 0.00 O ATOM 660 CB PRO A 44 3.023 -0.647 -9.339 1.00 0.00 C ATOM 661 CG PRO A 44 4.326 -1.090 -8.694 1.00 0.00 C ATOM 662 CD PRO A 44 4.343 -0.565 -7.267 1.00 0.00 C ATOM 0 HA PRO A 44 1.574 0.714 -8.491 1.00 0.00 H new ATOM 0 HB2 PRO A 44 2.557 -1.469 -9.883 1.00 0.00 H new ATOM 0 HB3 PRO A 44 3.195 0.154 -10.058 1.00 0.00 H new ATOM 0 HG2 PRO A 44 4.405 -2.177 -8.702 1.00 0.00 H new ATOM 0 HG3 PRO A 44 5.179 -0.704 -9.253 1.00 0.00 H new ATOM 0 HD2 PRO A 44 4.488 -1.373 -6.550 1.00 0.00 H new ATOM 0 HD3 PRO A 44 5.156 0.146 -7.116 1.00 0.00 H new ATOM 670 N ILE A 45 -0.176 -0.860 -8.140 1.00 0.00 N ATOM 671 CA ILE A 45 -1.294 -1.736 -7.835 1.00 0.00 C ATOM 672 C ILE A 45 -0.969 -3.155 -8.305 1.00 0.00 C ATOM 673 O ILE A 45 -1.052 -4.105 -7.528 1.00 0.00 O ATOM 674 CB ILE A 45 -2.590 -1.175 -8.424 1.00 0.00 C ATOM 675 CG1 ILE A 45 -2.785 0.289 -8.025 1.00 0.00 C ATOM 676 CG2 ILE A 45 -3.790 -2.040 -8.033 1.00 0.00 C ATOM 677 CD1 ILE A 45 -4.227 0.738 -8.274 1.00 0.00 C ATOM 0 H ILE A 45 -0.430 0.008 -8.612 1.00 0.00 H new ATOM 0 HA ILE A 45 -1.455 -1.786 -6.758 1.00 0.00 H new ATOM 0 HB ILE A 45 -2.512 -1.205 -9.511 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -2.537 0.419 -6.972 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -2.101 0.919 -8.594 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -4.698 -1.619 -8.465 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -3.646 -3.053 -8.408 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -3.882 -2.065 -6.947 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -4.339 1.782 -7.982 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -4.464 0.630 -9.332 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -4.907 0.122 -7.685 1.00 0.00 H new ATOM 689 N HIS A 46 -0.604 -3.254 -9.575 1.00 0.00 N ATOM 690 CA HIS A 46 -0.266 -4.541 -10.158 1.00 0.00 C ATOM 691 C HIS A 46 0.681 -5.295 -9.222 1.00 0.00 C ATOM 692 O HIS A 46 0.753 -6.523 -9.263 1.00 0.00 O ATOM 693 CB HIS A 46 0.307 -4.366 -11.566 1.00 0.00 C ATOM 694 CG HIS A 46 0.942 -3.018 -11.808 1.00 0.00 C ATOM 695 ND1 HIS A 46 0.202 -1.859 -11.968 1.00 0.00 N ATOM 696 CD2 HIS A 46 2.253 -2.656 -11.913 1.00 0.00 C ATOM 697 CE1 HIS A 46 1.040 -0.851 -12.162 1.00 0.00 C ATOM 698 NE2 HIS A 46 2.311 -1.347 -12.128 1.00 0.00 N ATOM 0 H HIS A 46 -0.535 -2.464 -10.216 1.00 0.00 H new ATOM 0 HA HIS A 46 -1.168 -5.143 -10.268 1.00 0.00 H new ATOM 0 HB2 HIS A 46 1.050 -5.143 -11.744 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -0.491 -4.516 -12.293 1.00 0.00 H new ATOM 0 HD2 HIS A 46 3.100 -3.321 -11.835 1.00 0.00 H new ATOM 0 HE1 HIS A 46 0.765 0.182 -12.319 1.00 0.00 H new ATOM 0 HE2 HIS A 46 3.165 -0.802 -12.248 1.00 0.00 H new ATOM 706 N ASN A 47 1.385 -4.529 -8.401 1.00 0.00 N ATOM 707 CA ASN A 47 2.324 -5.109 -7.457 1.00 0.00 C ATOM 708 C ASN A 47 1.660 -5.214 -6.082 1.00 0.00 C ATOM 709 O ASN A 47 1.739 -6.252 -5.428 1.00 0.00 O ATOM 710 CB ASN A 47 3.572 -4.236 -7.314 1.00 0.00 C ATOM 711 CG ASN A 47 4.605 -4.575 -8.391 1.00 0.00 C ATOM 712 OD1 ASN A 47 4.362 -5.356 -9.297 1.00 0.00 O ATOM 713 ND2 ASN A 47 5.768 -3.947 -8.243 1.00 0.00 N ATOM 0 H ASN A 47 1.323 -3.511 -8.370 1.00 0.00 H new ATOM 0 HA ASN A 47 2.612 -6.092 -7.830 1.00 0.00 H new ATOM 0 HB2 ASN A 47 3.295 -3.184 -7.389 1.00 0.00 H new ATOM 0 HB3 ASN A 47 4.010 -4.381 -6.326 1.00 0.00 H new ATOM 0 HD21 ASN A 47 6.522 -4.107 -8.911 1.00 0.00 H new ATOM 0 HD22 ASN A 47 5.906 -3.306 -7.462 1.00 0.00 H new ATOM 720 N GLN A 48 1.022 -4.123 -5.685 1.00 0.00 N ATOM 721 CA GLN A 48 0.345 -4.078 -4.400 1.00 0.00 C ATOM 722 C GLN A 48 -0.605 -5.269 -4.259 1.00 0.00 C ATOM 723 O GLN A 48 -1.279 -5.647 -5.216 1.00 0.00 O ATOM 724 CB GLN A 48 -0.403 -2.756 -4.220 1.00 0.00 C ATOM 725 CG GLN A 48 0.569 -1.575 -4.190 1.00 0.00 C ATOM 726 CD GLN A 48 -0.090 -0.338 -3.578 1.00 0.00 C ATOM 727 OE1 GLN A 48 0.526 0.435 -2.861 1.00 0.00 O ATOM 728 NE2 GLN A 48 -1.372 -0.193 -3.898 1.00 0.00 N ATOM 0 H GLN A 48 0.959 -3.263 -6.230 1.00 0.00 H new ATOM 0 HA GLN A 48 1.096 -4.142 -3.613 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -1.116 -2.624 -5.034 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -0.977 -2.782 -3.294 1.00 0.00 H new ATOM 0 HG2 GLN A 48 1.454 -1.843 -3.613 1.00 0.00 H new ATOM 0 HG3 GLN A 48 0.904 -1.350 -5.202 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -1.827 -0.877 -4.503 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -1.901 0.602 -3.539 1.00 0.00 H new ATOM 737 N THR A 49 -0.628 -5.828 -3.058 1.00 0.00 N ATOM 738 CA THR A 49 -1.484 -6.969 -2.779 1.00 0.00 C ATOM 739 C THR A 49 -2.202 -6.782 -1.441 1.00 0.00 C ATOM 740 O THR A 49 -1.576 -6.838 -0.384 1.00 0.00 O ATOM 741 CB THR A 49 -0.623 -8.232 -2.836 1.00 0.00 C ATOM 742 OG1 THR A 49 -0.006 -8.174 -4.119 1.00 0.00 O ATOM 743 CG2 THR A 49 -1.461 -9.511 -2.882 1.00 0.00 C ATOM 0 H THR A 49 -0.067 -5.512 -2.267 1.00 0.00 H new ATOM 0 HA THR A 49 -2.273 -7.063 -3.525 1.00 0.00 H new ATOM 0 HB THR A 49 0.036 -8.261 -1.968 1.00 0.00 H new ATOM 0 HG1 THR A 49 0.816 -7.643 -4.063 1.00 0.00 H new ATOM 0 HG21 THR A 49 -0.801 -10.377 -2.922 1.00 0.00 H new ATOM 0 HG22 THR A 49 -2.084 -9.570 -1.990 1.00 0.00 H new ATOM 0 HG23 THR A 49 -2.096 -9.498 -3.768 1.00 0.00 H new ATOM 751 N LEU A 50 -3.506 -6.565 -1.531 1.00 0.00 N ATOM 752 CA LEU A 50 -4.316 -6.370 -0.340 1.00 0.00 C ATOM 753 C LEU A 50 -4.844 -7.723 0.139 1.00 0.00 C ATOM 754 O LEU A 50 -5.378 -8.501 -0.650 1.00 0.00 O ATOM 755 CB LEU A 50 -5.415 -5.339 -0.603 1.00 0.00 C ATOM 756 CG LEU A 50 -5.028 -3.875 -0.384 1.00 0.00 C ATOM 757 CD1 LEU A 50 -4.137 -3.722 0.850 1.00 0.00 C ATOM 758 CD2 LEU A 50 -4.377 -3.286 -1.637 1.00 0.00 C ATOM 0 H LEU A 50 -4.022 -6.520 -2.410 1.00 0.00 H new ATOM 0 HA LEU A 50 -3.712 -5.959 0.469 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -5.755 -5.454 -1.632 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -6.264 -5.570 0.041 1.00 0.00 H new ATOM 0 HG LEU A 50 -5.939 -3.306 -0.197 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -3.876 -2.672 0.983 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -4.671 -4.077 1.731 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -3.227 -4.307 0.717 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -4.112 -2.245 -1.454 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -3.478 -3.852 -1.880 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -5.077 -3.341 -2.471 1.00 0.00 H new ATOM 770 N SER A 51 -4.676 -7.964 1.432 1.00 0.00 N ATOM 771 CA SER A 51 -5.129 -9.210 2.026 1.00 0.00 C ATOM 772 C SER A 51 -5.220 -9.062 3.546 1.00 0.00 C ATOM 773 O SER A 51 -4.267 -8.625 4.189 1.00 0.00 O ATOM 774 CB SER A 51 -4.196 -10.366 1.659 1.00 0.00 C ATOM 775 OG SER A 51 -3.885 -11.179 2.788 1.00 0.00 O ATOM 0 H SER A 51 -4.232 -7.317 2.084 1.00 0.00 H new ATOM 0 HA SER A 51 -6.119 -9.438 1.630 1.00 0.00 H new ATOM 0 HB2 SER A 51 -4.664 -10.979 0.888 1.00 0.00 H new ATOM 0 HB3 SER A 51 -3.275 -9.968 1.234 1.00 0.00 H new ATOM 0 HG SER A 51 -3.883 -12.122 2.521 1.00 0.00 H new ATOM 781 N THR A 52 -6.375 -9.436 4.077 1.00 0.00 N ATOM 782 CA THR A 52 -6.602 -9.350 5.509 1.00 0.00 C ATOM 783 C THR A 52 -6.170 -10.648 6.196 1.00 0.00 C ATOM 784 O THR A 52 -6.890 -11.175 7.043 1.00 0.00 O ATOM 785 CB THR A 52 -8.076 -9.005 5.734 1.00 0.00 C ATOM 786 OG1 THR A 52 -8.782 -10.033 5.046 1.00 0.00 O ATOM 787 CG2 THR A 52 -8.492 -7.720 5.015 1.00 0.00 C ATOM 0 H THR A 52 -7.163 -9.799 3.541 1.00 0.00 H new ATOM 0 HA THR A 52 -5.997 -8.563 5.959 1.00 0.00 H new ATOM 0 HB THR A 52 -8.266 -8.901 6.802 1.00 0.00 H new ATOM 0 HG1 THR A 52 -9.746 -9.888 5.142 1.00 0.00 H new ATOM 0 HG21 THR A 52 -9.546 -7.521 5.207 1.00 0.00 H new ATOM 0 HG22 THR A 52 -7.892 -6.887 5.382 1.00 0.00 H new ATOM 0 HG23 THR A 52 -8.334 -7.836 3.943 1.00 0.00 H new ATOM 795 N ASN A 53 -4.998 -11.125 5.805 1.00 0.00 N ATOM 796 CA ASN A 53 -4.462 -12.350 6.373 1.00 0.00 C ATOM 797 C ASN A 53 -2.933 -12.292 6.349 1.00 0.00 C ATOM 798 O ASN A 53 -2.331 -12.114 5.291 1.00 0.00 O ATOM 799 CB ASN A 53 -4.900 -13.571 5.561 1.00 0.00 C ATOM 800 CG ASN A 53 -4.593 -14.868 6.313 1.00 0.00 C ATOM 801 OD1 ASN A 53 -4.144 -14.867 7.447 1.00 0.00 O ATOM 802 ND2 ASN A 53 -4.861 -15.971 5.619 1.00 0.00 N ATOM 0 H ASN A 53 -4.404 -10.685 5.102 1.00 0.00 H new ATOM 0 HA ASN A 53 -4.836 -12.441 7.393 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -5.968 -13.510 5.354 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -4.389 -13.575 4.598 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -4.692 -16.888 6.033 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -5.236 -15.900 4.673 1.00 0.00 H new ATOM 809 N ARG A 54 -2.349 -12.444 7.529 1.00 0.00 N ATOM 810 CA ARG A 54 -0.902 -12.411 7.657 1.00 0.00 C ATOM 811 C ARG A 54 -0.261 -13.422 6.704 1.00 0.00 C ATOM 812 O ARG A 54 0.903 -13.280 6.334 1.00 0.00 O ATOM 813 CB ARG A 54 -0.469 -12.725 9.090 1.00 0.00 C ATOM 814 CG ARG A 54 -0.499 -14.232 9.354 1.00 0.00 C ATOM 815 CD ARG A 54 0.911 -14.824 9.315 1.00 0.00 C ATOM 816 NE ARG A 54 1.566 -14.660 10.632 1.00 0.00 N ATOM 817 CZ ARG A 54 2.747 -15.205 10.956 1.00 0.00 C ATOM 818 NH1 ARG A 54 3.409 -15.952 10.062 1.00 0.00 N ATOM 819 NH2 ARG A 54 3.265 -15.003 12.175 1.00 0.00 N ATOM 0 H ARG A 54 -2.852 -12.590 8.404 1.00 0.00 H new ATOM 0 HA ARG A 54 -0.569 -11.405 7.401 1.00 0.00 H new ATOM 0 HB2 ARG A 54 0.537 -12.342 9.262 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -1.128 -12.216 9.793 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -0.952 -14.425 10.327 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -1.124 -14.723 8.608 1.00 0.00 H new ATOM 0 HD2 ARG A 54 0.863 -15.881 9.053 1.00 0.00 H new ATOM 0 HD3 ARG A 54 1.500 -14.330 8.543 1.00 0.00 H new ATOM 0 HE ARG A 54 1.089 -14.097 11.337 1.00 0.00 H new ATOM 0 HH11 ARG A 54 3.014 -16.106 9.134 1.00 0.00 H new ATOM 0 HH12 ARG A 54 4.308 -16.366 10.309 1.00 0.00 H new ATOM 0 HH21 ARG A 54 2.761 -14.435 12.856 1.00 0.00 H new ATOM 0 HH22 ARG A 54 4.164 -15.417 12.422 1.00 0.00 H new ATOM 833 N ASN A 55 -1.049 -14.421 6.335 1.00 0.00 N ATOM 834 CA ASN A 55 -0.574 -15.456 5.433 1.00 0.00 C ATOM 835 C ASN A 55 0.005 -14.803 4.176 1.00 0.00 C ATOM 836 O ASN A 55 0.883 -15.369 3.526 1.00 0.00 O ATOM 837 CB ASN A 55 -1.715 -16.380 5.004 1.00 0.00 C ATOM 838 CG ASN A 55 -1.871 -17.547 5.980 1.00 0.00 C ATOM 839 OD1 ASN A 55 -1.569 -18.690 5.675 1.00 0.00 O ATOM 840 ND2 ASN A 55 -2.359 -17.199 7.167 1.00 0.00 N ATOM 0 H ASN A 55 -2.014 -14.536 6.645 1.00 0.00 H new ATOM 0 HA ASN A 55 0.183 -16.039 5.957 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -2.646 -15.815 4.955 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -1.521 -16.763 4.002 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -2.501 -17.907 7.887 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -2.591 -16.224 7.357 1.00 0.00 H new ATOM 847 N LEU A 56 -0.512 -13.622 3.869 1.00 0.00 N ATOM 848 CA LEU A 56 -0.058 -12.887 2.701 1.00 0.00 C ATOM 849 C LEU A 56 1.469 -12.785 2.730 1.00 0.00 C ATOM 850 O LEU A 56 2.126 -12.979 1.708 1.00 0.00 O ATOM 851 CB LEU A 56 -0.762 -11.532 2.614 1.00 0.00 C ATOM 852 CG LEU A 56 -0.886 -10.929 1.213 1.00 0.00 C ATOM 853 CD1 LEU A 56 -0.944 -9.402 1.276 1.00 0.00 C ATOM 854 CD2 LEU A 56 0.241 -11.423 0.303 1.00 0.00 C ATOM 0 H LEU A 56 -1.241 -13.156 4.409 1.00 0.00 H new ATOM 0 HA LEU A 56 -0.326 -13.419 1.788 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -1.763 -11.637 3.032 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -0.225 -10.825 3.246 1.00 0.00 H new ATOM 0 HG LEU A 56 -1.825 -11.268 0.777 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -1.032 -8.999 0.267 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -1.808 -9.095 1.866 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -0.034 -9.022 1.740 1.00 0.00 H new ATOM 0 HD21 LEU A 56 0.130 -10.980 -0.687 1.00 0.00 H new ATOM 0 HD22 LEU A 56 1.203 -11.132 0.725 1.00 0.00 H new ATOM 0 HD23 LEU A 56 0.194 -12.509 0.222 1.00 0.00 H new ATOM 866 N LEU A 57 1.988 -12.482 3.910 1.00 0.00 N ATOM 867 CA LEU A 57 3.425 -12.352 4.085 1.00 0.00 C ATOM 868 C LEU A 57 4.080 -13.725 3.922 1.00 0.00 C ATOM 869 O LEU A 57 5.263 -13.818 3.598 1.00 0.00 O ATOM 870 CB LEU A 57 3.743 -11.673 5.418 1.00 0.00 C ATOM 871 CG LEU A 57 2.880 -10.462 5.777 1.00 0.00 C ATOM 872 CD1 LEU A 57 3.397 -9.776 7.043 1.00 0.00 C ATOM 873 CD2 LEU A 57 2.781 -9.491 4.599 1.00 0.00 C ATOM 0 H LEU A 57 1.439 -12.323 4.755 1.00 0.00 H new ATOM 0 HA LEU A 57 3.846 -11.704 3.316 1.00 0.00 H new ATOM 0 HB2 LEU A 57 3.644 -12.413 6.212 1.00 0.00 H new ATOM 0 HB3 LEU A 57 4.787 -11.359 5.403 1.00 0.00 H new ATOM 0 HG LEU A 57 1.871 -10.813 5.991 1.00 0.00 H new ATOM 0 HD11 LEU A 57 2.766 -8.918 7.276 1.00 0.00 H new ATOM 0 HD12 LEU A 57 3.373 -10.481 7.874 1.00 0.00 H new ATOM 0 HD13 LEU A 57 4.421 -9.439 6.882 1.00 0.00 H new ATOM 0 HD21 LEU A 57 2.162 -8.639 4.881 1.00 0.00 H new ATOM 0 HD22 LEU A 57 3.778 -9.142 4.330 1.00 0.00 H new ATOM 0 HD23 LEU A 57 2.332 -9.999 3.745 1.00 0.00 H new ATOM 885 N LEU A 58 3.282 -14.757 4.154 1.00 0.00 N ATOM 886 CA LEU A 58 3.770 -16.121 4.038 1.00 0.00 C ATOM 887 C LEU A 58 4.060 -16.430 2.568 1.00 0.00 C ATOM 888 O LEU A 58 4.980 -17.186 2.259 1.00 0.00 O ATOM 889 CB LEU A 58 2.790 -17.098 4.689 1.00 0.00 C ATOM 890 CG LEU A 58 1.988 -17.982 3.732 1.00 0.00 C ATOM 891 CD1 LEU A 58 2.891 -19.012 3.050 1.00 0.00 C ATOM 892 CD2 LEU A 58 0.809 -18.641 4.452 1.00 0.00 C ATOM 0 H LEU A 58 2.301 -14.676 4.422 1.00 0.00 H new ATOM 0 HA LEU A 58 4.708 -16.237 4.581 1.00 0.00 H new ATOM 0 HB2 LEU A 58 3.348 -17.744 5.367 1.00 0.00 H new ATOM 0 HB3 LEU A 58 2.089 -16.527 5.298 1.00 0.00 H new ATOM 0 HG LEU A 58 1.573 -17.348 2.948 1.00 0.00 H new ATOM 0 HD11 LEU A 58 2.296 -19.627 2.375 1.00 0.00 H new ATOM 0 HD12 LEU A 58 3.666 -18.497 2.483 1.00 0.00 H new ATOM 0 HD13 LEU A 58 3.355 -19.646 3.806 1.00 0.00 H new ATOM 0 HD21 LEU A 58 0.256 -19.264 3.749 1.00 0.00 H new ATOM 0 HD22 LEU A 58 1.181 -19.259 5.269 1.00 0.00 H new ATOM 0 HD23 LEU A 58 0.150 -17.870 4.851 1.00 0.00 H new ATOM 904 N ALA A 59 3.259 -15.829 1.700 1.00 0.00 N ATOM 905 CA ALA A 59 3.418 -16.031 0.270 1.00 0.00 C ATOM 906 C ALA A 59 4.831 -15.615 -0.145 1.00 0.00 C ATOM 907 O ALA A 59 5.252 -14.489 0.114 1.00 0.00 O ATOM 908 CB ALA A 59 2.338 -15.249 -0.479 1.00 0.00 C ATOM 0 H ALA A 59 2.498 -15.202 1.960 1.00 0.00 H new ATOM 0 HA ALA A 59 3.295 -17.084 0.015 1.00 0.00 H new ATOM 0 HB1 ALA A 59 2.457 -15.400 -1.552 1.00 0.00 H new ATOM 0 HB2 ALA A 59 1.354 -15.601 -0.170 1.00 0.00 H new ATOM 0 HB3 ALA A 59 2.432 -14.188 -0.250 1.00 0.00 H new ATOM 914 N LYS A 60 5.525 -16.548 -0.781 1.00 0.00 N ATOM 915 CA LYS A 60 6.882 -16.293 -1.234 1.00 0.00 C ATOM 916 C LYS A 60 6.908 -16.269 -2.763 1.00 0.00 C ATOM 917 O LYS A 60 7.738 -15.588 -3.363 1.00 0.00 O ATOM 918 CB LYS A 60 7.851 -17.304 -0.617 1.00 0.00 C ATOM 919 CG LYS A 60 8.406 -16.790 0.713 1.00 0.00 C ATOM 920 CD LYS A 60 9.376 -15.628 0.490 1.00 0.00 C ATOM 921 CE LYS A 60 10.825 -16.076 0.697 1.00 0.00 C ATOM 922 NZ LYS A 60 11.121 -16.223 2.139 1.00 0.00 N ATOM 0 H LYS A 60 5.173 -17.481 -0.993 1.00 0.00 H new ATOM 0 HA LYS A 60 7.220 -15.314 -0.894 1.00 0.00 H new ATOM 0 HB2 LYS A 60 7.340 -18.254 -0.459 1.00 0.00 H new ATOM 0 HB3 LYS A 60 8.672 -17.495 -1.308 1.00 0.00 H new ATOM 0 HG2 LYS A 60 7.585 -16.466 1.353 1.00 0.00 H new ATOM 0 HG3 LYS A 60 8.916 -17.599 1.235 1.00 0.00 H new ATOM 0 HD2 LYS A 60 9.253 -15.236 -0.520 1.00 0.00 H new ATOM 0 HD3 LYS A 60 9.141 -14.816 1.178 1.00 0.00 H new ATOM 0 HE2 LYS A 60 10.995 -17.024 0.186 1.00 0.00 H new ATOM 0 HE3 LYS A 60 11.504 -15.348 0.253 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 12.117 -16.494 2.263 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 10.945 -15.320 2.623 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 10.509 -16.959 2.546 1.00 0.00 H new ATOM 936 N SER A 61 5.990 -17.022 -3.351 1.00 0.00 N ATOM 937 CA SER A 61 5.898 -17.096 -4.799 1.00 0.00 C ATOM 938 C SER A 61 4.813 -16.142 -5.303 1.00 0.00 C ATOM 939 O SER A 61 3.956 -15.708 -4.535 1.00 0.00 O ATOM 940 CB SER A 61 5.604 -18.525 -5.260 1.00 0.00 C ATOM 941 OG SER A 61 6.781 -19.195 -5.703 1.00 0.00 O ATOM 0 H SER A 61 5.303 -17.586 -2.851 1.00 0.00 H new ATOM 0 HA SER A 61 6.859 -16.798 -5.219 1.00 0.00 H new ATOM 0 HB2 SER A 61 5.155 -19.085 -4.440 1.00 0.00 H new ATOM 0 HB3 SER A 61 4.874 -18.502 -6.069 1.00 0.00 H new ATOM 0 HG SER A 61 6.552 -20.105 -5.987 1.00 0.00 H new ATOM 947 N PRO A 62 4.887 -15.836 -6.627 1.00 0.00 N ATOM 948 CA PRO A 62 3.922 -14.941 -7.243 1.00 0.00 C ATOM 949 C PRO A 62 2.576 -15.641 -7.444 1.00 0.00 C ATOM 950 O PRO A 62 1.534 -14.990 -7.486 1.00 0.00 O ATOM 951 CB PRO A 62 4.566 -14.506 -8.549 1.00 0.00 C ATOM 952 CG PRO A 62 5.655 -15.527 -8.836 1.00 0.00 C ATOM 953 CD PRO A 62 5.887 -16.331 -7.567 1.00 0.00 C ATOM 0 HA PRO A 62 3.693 -14.076 -6.620 1.00 0.00 H new ATOM 0 HB2 PRO A 62 3.834 -14.479 -9.356 1.00 0.00 H new ATOM 0 HB3 PRO A 62 4.984 -13.503 -8.464 1.00 0.00 H new ATOM 0 HG2 PRO A 62 5.357 -16.183 -9.654 1.00 0.00 H new ATOM 0 HG3 PRO A 62 6.574 -15.028 -9.145 1.00 0.00 H new ATOM 0 HD2 PRO A 62 5.766 -17.399 -7.747 1.00 0.00 H new ATOM 0 HD3 PRO A 62 6.897 -16.184 -7.184 1.00 0.00 H new ATOM 961 N SER A 63 2.643 -16.959 -7.564 1.00 0.00 N ATOM 962 CA SER A 63 1.443 -17.754 -7.761 1.00 0.00 C ATOM 963 C SER A 63 0.659 -17.850 -6.450 1.00 0.00 C ATOM 964 O SER A 63 -0.560 -18.014 -6.463 1.00 0.00 O ATOM 965 CB SER A 63 1.787 -19.153 -8.277 1.00 0.00 C ATOM 966 OG SER A 63 1.217 -19.404 -9.558 1.00 0.00 O ATOM 0 H SER A 63 3.509 -17.496 -7.529 1.00 0.00 H new ATOM 0 HA SER A 63 0.826 -17.261 -8.512 1.00 0.00 H new ATOM 0 HB2 SER A 63 2.870 -19.262 -8.334 1.00 0.00 H new ATOM 0 HB3 SER A 63 1.428 -19.899 -7.568 1.00 0.00 H new ATOM 0 HG SER A 63 1.461 -20.306 -9.853 1.00 0.00 H new ATOM 972 N ASP A 64 1.391 -17.745 -5.351 1.00 0.00 N ATOM 973 CA ASP A 64 0.779 -17.818 -4.035 1.00 0.00 C ATOM 974 C ASP A 64 -0.046 -16.553 -3.789 1.00 0.00 C ATOM 975 O ASP A 64 -1.177 -16.628 -3.312 1.00 0.00 O ATOM 976 CB ASP A 64 1.841 -17.910 -2.938 1.00 0.00 C ATOM 977 CG ASP A 64 1.438 -18.735 -1.714 1.00 0.00 C ATOM 978 OD1 ASP A 64 1.117 -19.927 -1.914 1.00 0.00 O ATOM 979 OD2 ASP A 64 1.459 -18.156 -0.607 1.00 0.00 O ATOM 0 H ASP A 64 2.402 -17.610 -5.345 1.00 0.00 H new ATOM 0 HA ASP A 64 0.151 -18.708 -4.005 1.00 0.00 H new ATOM 0 HB2 ASP A 64 2.747 -18.341 -3.365 1.00 0.00 H new ATOM 0 HB3 ASP A 64 2.092 -16.901 -2.611 1.00 0.00 H new ATOM 984 N PHE A 65 0.553 -15.420 -4.127 1.00 0.00 N ATOM 985 CA PHE A 65 -0.112 -14.140 -3.950 1.00 0.00 C ATOM 986 C PHE A 65 -1.477 -14.131 -4.640 1.00 0.00 C ATOM 987 O PHE A 65 -2.326 -13.295 -4.335 1.00 0.00 O ATOM 988 CB PHE A 65 0.780 -13.079 -4.596 1.00 0.00 C ATOM 989 CG PHE A 65 1.943 -12.621 -3.713 1.00 0.00 C ATOM 990 CD1 PHE A 65 1.733 -12.356 -2.396 1.00 0.00 C ATOM 991 CD2 PHE A 65 3.186 -12.480 -4.245 1.00 0.00 C ATOM 992 CE1 PHE A 65 2.811 -11.932 -1.576 1.00 0.00 C ATOM 993 CE2 PHE A 65 4.265 -12.055 -3.425 1.00 0.00 C ATOM 994 CZ PHE A 65 4.055 -11.790 -2.108 1.00 0.00 C ATOM 0 H PHE A 65 1.491 -15.362 -4.522 1.00 0.00 H new ATOM 0 HA PHE A 65 -0.270 -13.947 -2.889 1.00 0.00 H new ATOM 0 HB2 PHE A 65 1.180 -13.475 -5.529 1.00 0.00 H new ATOM 0 HB3 PHE A 65 0.170 -12.213 -4.853 1.00 0.00 H new ATOM 0 HD1 PHE A 65 0.745 -12.468 -1.974 1.00 0.00 H new ATOM 0 HD2 PHE A 65 3.353 -12.691 -5.291 1.00 0.00 H new ATOM 0 HE1 PHE A 65 2.644 -11.722 -0.530 1.00 0.00 H new ATOM 0 HE2 PHE A 65 5.252 -11.942 -3.848 1.00 0.00 H new ATOM 0 HZ PHE A 65 4.876 -11.467 -1.484 1.00 0.00 H new ATOM 1004 N LEU A 66 -1.647 -15.071 -5.559 1.00 0.00 N ATOM 1005 CA LEU A 66 -2.894 -15.182 -6.295 1.00 0.00 C ATOM 1006 C LEU A 66 -3.923 -15.923 -5.439 1.00 0.00 C ATOM 1007 O LEU A 66 -5.115 -15.910 -5.743 1.00 0.00 O ATOM 1008 CB LEU A 66 -2.654 -15.826 -7.662 1.00 0.00 C ATOM 1009 CG LEU A 66 -1.503 -15.244 -8.485 1.00 0.00 C ATOM 1010 CD1 LEU A 66 -1.158 -16.153 -9.665 1.00 0.00 C ATOM 1011 CD2 LEU A 66 -1.818 -13.815 -8.934 1.00 0.00 C ATOM 0 H LEU A 66 -0.941 -15.763 -5.810 1.00 0.00 H new ATOM 0 HA LEU A 66 -3.303 -14.193 -6.501 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -2.466 -16.889 -7.513 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -3.570 -15.743 -8.246 1.00 0.00 H new ATOM 0 HG LEU A 66 -0.619 -15.194 -7.849 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -0.337 -15.716 -10.233 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -0.861 -17.134 -9.294 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -2.030 -16.258 -10.310 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -0.984 -13.425 -9.517 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -2.720 -13.816 -9.546 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -1.975 -13.185 -8.059 1.00 0.00 H new ATOM 1023 N ALA A 67 -3.425 -16.553 -4.384 1.00 0.00 N ATOM 1024 CA ALA A 67 -4.286 -17.298 -3.482 1.00 0.00 C ATOM 1025 C ALA A 67 -5.118 -16.318 -2.652 1.00 0.00 C ATOM 1026 O ALA A 67 -6.253 -16.617 -2.286 1.00 0.00 O ATOM 1027 CB ALA A 67 -3.433 -18.223 -2.610 1.00 0.00 C ATOM 0 H ALA A 67 -2.436 -16.562 -4.134 1.00 0.00 H new ATOM 0 HA ALA A 67 -4.979 -17.925 -4.043 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -4.079 -18.782 -1.933 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -2.884 -18.918 -3.245 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -2.728 -17.628 -2.030 1.00 0.00 H new ATOM 1033 N PHE A 68 -4.520 -15.167 -2.380 1.00 0.00 N ATOM 1034 CA PHE A 68 -5.192 -14.141 -1.600 1.00 0.00 C ATOM 1035 C PHE A 68 -5.945 -13.167 -2.509 1.00 0.00 C ATOM 1036 O PHE A 68 -5.363 -12.208 -3.013 1.00 0.00 O ATOM 1037 CB PHE A 68 -4.108 -13.376 -0.839 1.00 0.00 C ATOM 1038 CG PHE A 68 -3.192 -14.267 0.003 1.00 0.00 C ATOM 1039 CD1 PHE A 68 -3.597 -14.692 1.230 1.00 0.00 C ATOM 1040 CD2 PHE A 68 -1.973 -14.635 -0.475 1.00 0.00 C ATOM 1041 CE1 PHE A 68 -2.747 -15.518 2.012 1.00 0.00 C ATOM 1042 CE2 PHE A 68 -1.124 -15.462 0.306 1.00 0.00 C ATOM 1043 CZ PHE A 68 -1.529 -15.886 1.533 1.00 0.00 C ATOM 0 H PHE A 68 -3.578 -14.922 -2.686 1.00 0.00 H new ATOM 0 HA PHE A 68 -5.915 -14.600 -0.926 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -3.501 -12.820 -1.553 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -4.584 -12.643 -0.187 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -4.565 -14.401 1.610 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -1.651 -14.298 -1.449 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -3.068 -15.854 2.987 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -0.156 -15.755 -0.074 1.00 0.00 H new ATOM 0 HZ PHE A 68 -0.883 -16.515 2.127 1.00 0.00 H new ATOM 1053 N THR A 69 -7.227 -13.447 -2.690 1.00 0.00 N ATOM 1054 CA THR A 69 -8.065 -12.608 -3.529 1.00 0.00 C ATOM 1055 C THR A 69 -9.220 -12.023 -2.713 1.00 0.00 C ATOM 1056 O THR A 69 -10.306 -11.794 -3.244 1.00 0.00 O ATOM 1057 CB THR A 69 -8.527 -13.444 -4.724 1.00 0.00 C ATOM 1058 OG1 THR A 69 -9.040 -14.636 -4.135 1.00 0.00 O ATOM 1059 CG2 THR A 69 -7.359 -13.927 -5.586 1.00 0.00 C ATOM 0 H THR A 69 -7.706 -14.243 -2.270 1.00 0.00 H new ATOM 0 HA THR A 69 -7.510 -11.751 -3.910 1.00 0.00 H new ATOM 0 HB THR A 69 -9.211 -12.856 -5.336 1.00 0.00 H new ATOM 0 HG1 THR A 69 -9.364 -15.236 -4.839 1.00 0.00 H new ATOM 0 HG21 THR A 69 -7.741 -14.515 -6.420 1.00 0.00 H new ATOM 0 HG22 THR A 69 -6.810 -13.067 -5.970 1.00 0.00 H new ATOM 0 HG23 THR A 69 -6.692 -14.543 -4.983 1.00 0.00 H new ATOM 1067 N ASP A 70 -8.947 -11.799 -1.436 1.00 0.00 N ATOM 1068 CA ASP A 70 -9.950 -11.246 -0.542 1.00 0.00 C ATOM 1069 C ASP A 70 -10.096 -9.747 -0.811 1.00 0.00 C ATOM 1070 O ASP A 70 -11.091 -9.137 -0.423 1.00 0.00 O ATOM 1071 CB ASP A 70 -9.544 -11.427 0.921 1.00 0.00 C ATOM 1072 CG ASP A 70 -9.160 -12.855 1.314 1.00 0.00 C ATOM 1073 OD1 ASP A 70 -10.095 -13.663 1.501 1.00 0.00 O ATOM 1074 OD2 ASP A 70 -7.940 -13.106 1.418 1.00 0.00 O ATOM 0 H ASP A 70 -8.045 -11.991 -0.999 1.00 0.00 H new ATOM 0 HA ASP A 70 -10.888 -11.770 -0.723 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -8.701 -10.769 1.132 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -10.369 -11.101 1.554 1.00 0.00 H new ATOM 1079 N MET A 71 -9.088 -9.196 -1.473 1.00 0.00 N ATOM 1080 CA MET A 71 -9.091 -7.780 -1.798 1.00 0.00 C ATOM 1081 C MET A 71 -8.477 -7.533 -3.177 1.00 0.00 C ATOM 1082 O MET A 71 -7.667 -6.622 -3.345 1.00 0.00 O ATOM 1083 CB MET A 71 -8.298 -7.012 -0.739 1.00 0.00 C ATOM 1084 CG MET A 71 -9.148 -6.757 0.507 1.00 0.00 C ATOM 1085 SD MET A 71 -8.160 -5.978 1.772 1.00 0.00 S ATOM 1086 CE MET A 71 -8.022 -4.334 1.091 1.00 0.00 C ATOM 0 H MET A 71 -8.264 -9.705 -1.793 1.00 0.00 H new ATOM 0 HA MET A 71 -10.124 -7.431 -1.814 1.00 0.00 H new ATOM 0 HB2 MET A 71 -7.407 -7.578 -0.466 1.00 0.00 H new ATOM 0 HB3 MET A 71 -7.958 -6.062 -1.152 1.00 0.00 H new ATOM 0 HG2 MET A 71 -9.997 -6.121 0.254 1.00 0.00 H new ATOM 0 HG3 MET A 71 -9.554 -7.698 0.879 1.00 0.00 H new ATOM 0 HE1 MET A 71 -7.131 -3.849 1.489 1.00 0.00 H new ATOM 0 HE2 MET A 71 -7.947 -4.395 0.005 1.00 0.00 H new ATOM 0 HE3 MET A 71 -8.903 -3.753 1.362 1.00 0.00 H new ATOM 1096 N ALA A 72 -8.884 -8.360 -4.128 1.00 0.00 N ATOM 1097 CA ALA A 72 -8.384 -8.242 -5.487 1.00 0.00 C ATOM 1098 C ALA A 72 -9.393 -7.463 -6.332 1.00 0.00 C ATOM 1099 O ALA A 72 -9.032 -6.868 -7.346 1.00 0.00 O ATOM 1100 CB ALA A 72 -8.105 -9.637 -6.051 1.00 0.00 C ATOM 0 H ALA A 72 -9.555 -9.115 -3.984 1.00 0.00 H new ATOM 0 HA ALA A 72 -7.445 -7.689 -5.503 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -7.730 -9.549 -7.071 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -7.360 -10.137 -5.432 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -9.026 -10.220 -6.052 1.00 0.00 H new ATOM 1106 N ASP A 73 -10.640 -7.491 -5.883 1.00 0.00 N ATOM 1107 CA ASP A 73 -11.704 -6.795 -6.585 1.00 0.00 C ATOM 1108 C ASP A 73 -11.635 -5.302 -6.257 1.00 0.00 C ATOM 1109 O ASP A 73 -11.661 -4.918 -5.088 1.00 0.00 O ATOM 1110 CB ASP A 73 -13.078 -7.310 -6.153 1.00 0.00 C ATOM 1111 CG ASP A 73 -14.267 -6.644 -6.849 1.00 0.00 C ATOM 1112 OD1 ASP A 73 -14.278 -6.667 -8.099 1.00 0.00 O ATOM 1113 OD2 ASP A 73 -15.137 -6.128 -6.116 1.00 0.00 O ATOM 0 H ASP A 73 -10.937 -7.985 -5.041 1.00 0.00 H new ATOM 0 HA ASP A 73 -11.573 -6.969 -7.653 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -13.122 -8.383 -6.339 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -13.180 -7.169 -5.077 1.00 0.00 H new ATOM 1118 N PRO A 74 -11.545 -4.479 -7.336 1.00 0.00 N ATOM 1119 CA PRO A 74 -11.471 -3.037 -7.174 1.00 0.00 C ATOM 1120 C PRO A 74 -12.837 -2.457 -6.802 1.00 0.00 C ATOM 1121 O PRO A 74 -12.921 -1.362 -6.248 1.00 0.00 O ATOM 1122 CB PRO A 74 -10.948 -2.518 -8.503 1.00 0.00 C ATOM 1123 CG PRO A 74 -11.188 -3.632 -9.509 1.00 0.00 C ATOM 1124 CD PRO A 74 -11.511 -4.899 -8.734 1.00 0.00 C ATOM 0 HA PRO A 74 -10.813 -2.739 -6.358 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -11.468 -1.607 -8.798 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -9.888 -2.273 -8.437 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -12.010 -3.373 -10.176 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -10.306 -3.780 -10.132 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -12.467 -5.320 -9.044 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -10.756 -5.667 -8.899 1.00 0.00 H new ATOM 1132 N ASN A 75 -13.874 -3.218 -7.121 1.00 0.00 N ATOM 1133 CA ASN A 75 -15.232 -2.793 -6.827 1.00 0.00 C ATOM 1134 C ASN A 75 -15.617 -3.264 -5.423 1.00 0.00 C ATOM 1135 O ASN A 75 -16.734 -3.023 -4.968 1.00 0.00 O ATOM 1136 CB ASN A 75 -16.226 -3.400 -7.819 1.00 0.00 C ATOM 1137 CG ASN A 75 -16.096 -2.746 -9.196 1.00 0.00 C ATOM 1138 OD1 ASN A 75 -16.707 -1.732 -9.491 1.00 0.00 O ATOM 1139 ND2 ASN A 75 -15.266 -3.380 -10.019 1.00 0.00 N ATOM 0 H ASN A 75 -13.801 -4.126 -7.580 1.00 0.00 H new ATOM 0 HA ASN A 75 -15.268 -1.706 -6.900 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -16.051 -4.473 -7.904 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -17.242 -3.271 -7.446 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -15.109 -3.022 -10.961 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -14.786 -4.225 -9.708 1.00 0.00 H new ATOM 1146 N LEU A 76 -14.671 -3.929 -4.777 1.00 0.00 N ATOM 1147 CA LEU A 76 -14.897 -4.436 -3.434 1.00 0.00 C ATOM 1148 C LEU A 76 -14.555 -3.346 -2.417 1.00 0.00 C ATOM 1149 O LEU A 76 -13.637 -2.557 -2.632 1.00 0.00 O ATOM 1150 CB LEU A 76 -14.128 -5.741 -3.218 1.00 0.00 C ATOM 1151 CG LEU A 76 -14.032 -6.232 -1.772 1.00 0.00 C ATOM 1152 CD1 LEU A 76 -14.823 -7.527 -1.579 1.00 0.00 C ATOM 1153 CD2 LEU A 76 -12.571 -6.383 -1.340 1.00 0.00 C ATOM 0 H LEU A 76 -13.746 -4.129 -5.158 1.00 0.00 H new ATOM 0 HA LEU A 76 -15.949 -4.685 -3.293 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -14.601 -6.521 -3.815 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -13.117 -5.612 -3.605 1.00 0.00 H new ATOM 0 HG LEU A 76 -14.483 -5.480 -1.125 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -14.738 -7.854 -0.543 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -15.872 -7.352 -1.820 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -14.424 -8.299 -2.237 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -12.531 -6.733 -0.309 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -12.073 -7.104 -1.988 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -12.068 -5.419 -1.416 1.00 0.00 H new ATOM 1165 N ARG A 77 -15.313 -3.337 -1.330 1.00 0.00 N ATOM 1166 CA ARG A 77 -15.102 -2.356 -0.279 1.00 0.00 C ATOM 1167 C ARG A 77 -14.405 -3.004 0.919 1.00 0.00 C ATOM 1168 O ARG A 77 -14.591 -4.191 1.183 1.00 0.00 O ATOM 1169 CB ARG A 77 -16.428 -1.747 0.180 1.00 0.00 C ATOM 1170 CG ARG A 77 -17.138 -1.042 -0.978 1.00 0.00 C ATOM 1171 CD ARG A 77 -18.657 -1.136 -0.828 1.00 0.00 C ATOM 1172 NE ARG A 77 -19.319 -0.281 -1.839 1.00 0.00 N ATOM 1173 CZ ARG A 77 -20.648 -0.183 -1.986 1.00 0.00 C ATOM 1174 NH1 ARG A 77 -21.464 -0.886 -1.189 1.00 0.00 N ATOM 1175 NH2 ARG A 77 -21.160 0.619 -2.930 1.00 0.00 N ATOM 0 H ARG A 77 -16.074 -3.993 -1.155 1.00 0.00 H new ATOM 0 HA ARG A 77 -14.473 -1.564 -0.686 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -17.071 -2.529 0.583 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -16.246 -1.036 0.986 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -16.836 0.005 -1.011 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -16.834 -1.491 -1.923 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -18.979 -2.170 -0.947 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -18.952 -0.824 0.174 1.00 0.00 H new ATOM 0 HE ARG A 77 -18.727 0.268 -2.463 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -21.074 -1.496 -0.470 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -22.475 -0.811 -1.301 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -20.539 1.154 -3.536 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -22.171 0.694 -3.042 1.00 0.00 H new ATOM 1189 N ILE A 78 -13.616 -2.196 1.612 1.00 0.00 N ATOM 1190 CA ILE A 78 -12.890 -2.675 2.776 1.00 0.00 C ATOM 1191 C ILE A 78 -13.883 -2.998 3.894 1.00 0.00 C ATOM 1192 O ILE A 78 -13.512 -3.586 4.909 1.00 0.00 O ATOM 1193 CB ILE A 78 -11.809 -1.672 3.184 1.00 0.00 C ATOM 1194 CG1 ILE A 78 -12.424 -0.316 3.535 1.00 0.00 C ATOM 1195 CG2 ILE A 78 -10.736 -1.552 2.100 1.00 0.00 C ATOM 1196 CD1 ILE A 78 -11.446 0.536 4.346 1.00 0.00 C ATOM 0 H ILE A 78 -13.464 -1.212 1.390 1.00 0.00 H new ATOM 0 HA ILE A 78 -12.362 -3.599 2.541 1.00 0.00 H new ATOM 0 HB ILE A 78 -11.318 -2.045 4.083 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -12.699 0.210 2.621 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -13.341 -0.465 4.105 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -9.980 -0.833 2.415 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -10.269 -2.524 1.941 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -11.194 -1.213 1.171 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -11.908 1.495 4.582 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -11.192 0.018 5.271 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -10.540 0.704 3.764 1.00 0.00 H new ATOM 1208 N SER A 79 -15.126 -2.598 3.671 1.00 0.00 N ATOM 1209 CA SER A 79 -16.176 -2.837 4.648 1.00 0.00 C ATOM 1210 C SER A 79 -16.446 -4.338 4.769 1.00 0.00 C ATOM 1211 O SER A 79 -17.013 -4.792 5.761 1.00 0.00 O ATOM 1212 CB SER A 79 -17.460 -2.096 4.269 1.00 0.00 C ATOM 1213 OG SER A 79 -17.887 -2.409 2.946 1.00 0.00 O ATOM 0 H SER A 79 -15.430 -2.110 2.829 1.00 0.00 H new ATOM 0 HA SER A 79 -15.839 -2.456 5.612 1.00 0.00 H new ATOM 0 HB2 SER A 79 -18.249 -2.354 4.975 1.00 0.00 H new ATOM 0 HB3 SER A 79 -17.296 -1.022 4.352 1.00 0.00 H new ATOM 0 HG SER A 79 -18.710 -1.918 2.743 1.00 0.00 H new ATOM 1219 N SER A 80 -16.027 -5.067 3.744 1.00 0.00 N ATOM 1220 CA SER A 80 -16.216 -6.507 3.724 1.00 0.00 C ATOM 1221 C SER A 80 -15.280 -7.173 4.734 1.00 0.00 C ATOM 1222 O SER A 80 -15.543 -8.284 5.191 1.00 0.00 O ATOM 1223 CB SER A 80 -15.976 -7.074 2.323 1.00 0.00 C ATOM 1224 OG SER A 80 -16.056 -8.497 2.302 1.00 0.00 O ATOM 0 H SER A 80 -15.558 -4.687 2.922 1.00 0.00 H new ATOM 0 HA SER A 80 -17.248 -6.720 4.001 1.00 0.00 H new ATOM 0 HB2 SER A 80 -16.711 -6.659 1.633 1.00 0.00 H new ATOM 0 HB3 SER A 80 -14.994 -6.761 1.968 1.00 0.00 H new ATOM 0 HG SER A 80 -15.899 -8.820 1.390 1.00 0.00 H new ATOM 1230 N LEU A 81 -14.206 -6.465 5.053 1.00 0.00 N ATOM 1231 CA LEU A 81 -13.229 -6.974 6.000 1.00 0.00 C ATOM 1232 C LEU A 81 -13.354 -6.204 7.317 1.00 0.00 C ATOM 1233 O LEU A 81 -12.753 -6.584 8.321 1.00 0.00 O ATOM 1234 CB LEU A 81 -11.824 -6.933 5.395 1.00 0.00 C ATOM 1235 CG LEU A 81 -11.743 -7.106 3.877 1.00 0.00 C ATOM 1236 CD1 LEU A 81 -12.430 -8.399 3.434 1.00 0.00 C ATOM 1237 CD2 LEU A 81 -12.307 -5.881 3.155 1.00 0.00 C ATOM 0 H LEU A 81 -13.991 -5.543 4.672 1.00 0.00 H new ATOM 0 HA LEU A 81 -13.424 -8.023 6.223 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -11.364 -5.980 5.657 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -11.225 -7.715 5.862 1.00 0.00 H new ATOM 0 HG LEU A 81 -10.692 -7.189 3.599 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -12.358 -8.497 2.351 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -11.943 -9.251 3.909 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -13.480 -8.372 3.726 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -12.238 -6.030 2.077 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -13.351 -5.742 3.436 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -11.735 -4.997 3.437 1.00 0.00 H new ATOM 1249 N ASN A 82 -14.138 -5.137 7.270 1.00 0.00 N ATOM 1250 CA ASN A 82 -14.349 -4.311 8.447 1.00 0.00 C ATOM 1251 C ASN A 82 -13.016 -3.697 8.879 1.00 0.00 C ATOM 1252 O ASN A 82 -12.521 -3.983 9.968 1.00 0.00 O ATOM 1253 CB ASN A 82 -14.887 -5.142 9.613 1.00 0.00 C ATOM 1254 CG ASN A 82 -16.416 -5.105 9.654 1.00 0.00 C ATOM 1255 OD1 ASN A 82 -17.095 -5.360 8.673 1.00 0.00 O ATOM 1256 ND2 ASN A 82 -16.918 -4.773 10.840 1.00 0.00 N ATOM 0 H ASN A 82 -14.635 -4.825 6.435 1.00 0.00 H new ATOM 0 HA ASN A 82 -15.073 -3.537 8.191 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -14.547 -6.173 9.516 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -14.485 -4.761 10.552 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -17.928 -4.720 10.969 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -16.293 -4.572 11.620 1.00 0.00 H new ATOM 1263 N LEU A 83 -12.473 -2.864 8.003 1.00 0.00 N ATOM 1264 CA LEU A 83 -11.207 -2.207 8.281 1.00 0.00 C ATOM 1265 C LEU A 83 -11.475 -0.796 8.807 1.00 0.00 C ATOM 1266 O LEU A 83 -12.026 0.042 8.094 1.00 0.00 O ATOM 1267 CB LEU A 83 -10.303 -2.242 7.047 1.00 0.00 C ATOM 1268 CG LEU A 83 -9.866 -3.631 6.575 1.00 0.00 C ATOM 1269 CD1 LEU A 83 -9.158 -3.552 5.221 1.00 0.00 C ATOM 1270 CD2 LEU A 83 -9.004 -4.323 7.633 1.00 0.00 C ATOM 0 H LEU A 83 -12.887 -2.629 7.101 1.00 0.00 H new ATOM 0 HA LEU A 83 -10.664 -2.741 9.061 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -10.823 -1.748 6.226 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -9.410 -1.654 7.259 1.00 0.00 H new ATOM 0 HG LEU A 83 -10.758 -4.242 6.437 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -8.858 -4.552 4.908 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -9.836 -3.128 4.480 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -8.275 -2.919 5.309 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -8.707 -5.308 7.273 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -8.114 -3.724 7.826 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -9.576 -4.431 8.555 1.00 0.00 H new ATOM 1282 N ALA A 84 -11.073 -0.576 10.050 1.00 0.00 N ATOM 1283 CA ALA A 84 -11.262 0.720 10.680 1.00 0.00 C ATOM 1284 C ALA A 84 -9.918 1.229 11.205 1.00 0.00 C ATOM 1285 O ALA A 84 -8.916 0.518 11.146 1.00 0.00 O ATOM 1286 CB ALA A 84 -12.313 0.602 11.786 1.00 0.00 C ATOM 0 H ALA A 84 -10.617 -1.274 10.638 1.00 0.00 H new ATOM 0 HA ALA A 84 -11.630 1.448 9.957 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -12.455 1.574 12.258 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -13.257 0.266 11.357 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -11.977 -0.118 12.532 1.00 0.00 H new ATOM 1292 N HIS A 85 -9.941 2.455 11.705 1.00 0.00 N ATOM 1293 CA HIS A 85 -8.736 3.067 12.240 1.00 0.00 C ATOM 1294 C HIS A 85 -8.216 2.236 13.414 1.00 0.00 C ATOM 1295 O HIS A 85 -8.768 2.291 14.512 1.00 0.00 O ATOM 1296 CB HIS A 85 -8.990 4.529 12.615 1.00 0.00 C ATOM 1297 CG HIS A 85 -7.750 5.276 13.046 1.00 0.00 C ATOM 1298 ND1 HIS A 85 -7.661 6.657 13.022 1.00 0.00 N ATOM 1299 CD2 HIS A 85 -6.552 4.821 13.512 1.00 0.00 C ATOM 1300 CE1 HIS A 85 -6.459 7.006 13.456 1.00 0.00 C ATOM 1301 NE2 HIS A 85 -5.773 5.867 13.759 1.00 0.00 N ATOM 0 H HIS A 85 -10.774 3.041 11.751 1.00 0.00 H new ATOM 0 HA HIS A 85 -7.959 3.078 11.476 1.00 0.00 H new ATOM 0 HB2 HIS A 85 -9.432 5.041 11.760 1.00 0.00 H new ATOM 0 HB3 HIS A 85 -9.722 4.565 13.422 1.00 0.00 H new ATOM 0 HD2 HIS A 85 -6.283 3.785 13.656 1.00 0.00 H new ATOM 0 HE1 HIS A 85 -6.088 8.015 13.553 1.00 0.00 H new ATOM 0 HE2 HIS A 85 -4.819 5.826 14.117 1.00 0.00 H new ATOM 1309 N GLY A 86 -7.159 1.484 13.143 1.00 0.00 N ATOM 1310 CA GLY A 86 -6.557 0.643 14.164 1.00 0.00 C ATOM 1311 C GLY A 86 -6.466 -0.810 13.692 1.00 0.00 C ATOM 1312 O GLY A 86 -5.610 -1.564 14.153 1.00 0.00 O ATOM 0 H GLY A 86 -6.704 1.440 12.231 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -5.561 1.014 14.405 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -7.147 0.696 15.079 1.00 0.00 H new ATOM 1316 N SER A 87 -7.360 -1.160 12.779 1.00 0.00 N ATOM 1317 CA SER A 87 -7.392 -2.508 12.240 1.00 0.00 C ATOM 1318 C SER A 87 -6.026 -2.869 11.652 1.00 0.00 C ATOM 1319 O SER A 87 -5.171 -2.001 11.481 1.00 0.00 O ATOM 1320 CB SER A 87 -8.482 -2.651 11.176 1.00 0.00 C ATOM 1321 OG SER A 87 -8.499 -3.955 10.602 1.00 0.00 O ATOM 0 H SER A 87 -8.068 -0.532 12.399 1.00 0.00 H new ATOM 0 HA SER A 87 -7.624 -3.196 13.053 1.00 0.00 H new ATOM 0 HB2 SER A 87 -9.454 -2.438 11.621 1.00 0.00 H new ATOM 0 HB3 SER A 87 -8.322 -1.911 10.391 1.00 0.00 H new ATOM 0 HG SER A 87 -9.372 -4.371 10.762 1.00 0.00 H new ATOM 1327 N MET A 88 -5.863 -4.151 11.359 1.00 0.00 N ATOM 1328 CA MET A 88 -4.616 -4.636 10.793 1.00 0.00 C ATOM 1329 C MET A 88 -4.794 -5.026 9.325 1.00 0.00 C ATOM 1330 O MET A 88 -5.847 -5.528 8.935 1.00 0.00 O ATOM 1331 CB MET A 88 -4.133 -5.851 11.589 1.00 0.00 C ATOM 1332 CG MET A 88 -2.772 -6.332 11.083 1.00 0.00 C ATOM 1333 SD MET A 88 -1.469 -5.655 12.099 1.00 0.00 S ATOM 1334 CE MET A 88 -0.509 -4.814 10.852 1.00 0.00 C ATOM 0 H MET A 88 -6.574 -4.868 11.503 1.00 0.00 H new ATOM 0 HA MET A 88 -3.878 -3.836 10.849 1.00 0.00 H new ATOM 0 HB2 MET A 88 -4.062 -5.593 12.646 1.00 0.00 H new ATOM 0 HB3 MET A 88 -4.862 -6.658 11.506 1.00 0.00 H new ATOM 0 HG2 MET A 88 -2.731 -7.421 11.103 1.00 0.00 H new ATOM 0 HG3 MET A 88 -2.632 -6.027 10.046 1.00 0.00 H new ATOM 0 HE1 MET A 88 0.553 -4.937 11.066 1.00 0.00 H new ATOM 0 HE2 MET A 88 -0.734 -5.237 9.873 1.00 0.00 H new ATOM 0 HE3 MET A 88 -0.759 -3.753 10.855 1.00 0.00 H new ATOM 1344 N VAL A 89 -3.748 -4.779 8.549 1.00 0.00 N ATOM 1345 CA VAL A 89 -3.776 -5.098 7.132 1.00 0.00 C ATOM 1346 C VAL A 89 -2.365 -5.463 6.667 1.00 0.00 C ATOM 1347 O VAL A 89 -1.381 -5.069 7.291 1.00 0.00 O ATOM 1348 CB VAL A 89 -4.382 -3.933 6.345 1.00 0.00 C ATOM 1349 CG1 VAL A 89 -4.156 -4.110 4.842 1.00 0.00 C ATOM 1350 CG2 VAL A 89 -5.870 -3.773 6.661 1.00 0.00 C ATOM 0 H VAL A 89 -2.876 -4.362 8.875 1.00 0.00 H new ATOM 0 HA VAL A 89 -4.413 -5.963 6.948 1.00 0.00 H new ATOM 0 HB VAL A 89 -3.874 -3.020 6.655 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -4.596 -3.269 4.306 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -3.086 -4.151 4.637 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -4.624 -5.037 4.510 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -6.276 -2.939 6.089 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -6.399 -4.688 6.394 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -5.997 -3.578 7.726 1.00 0.00 H new ATOM 1360 N TYR A 90 -2.311 -6.212 5.576 1.00 0.00 N ATOM 1361 CA TYR A 90 -1.036 -6.635 5.021 1.00 0.00 C ATOM 1362 C TYR A 90 -0.920 -6.236 3.548 1.00 0.00 C ATOM 1363 O TYR A 90 -1.878 -6.369 2.788 1.00 0.00 O ATOM 1364 CB TYR A 90 -1.016 -8.161 5.127 1.00 0.00 C ATOM 1365 CG TYR A 90 -1.030 -8.685 6.564 1.00 0.00 C ATOM 1366 CD1 TYR A 90 0.140 -8.725 7.295 1.00 0.00 C ATOM 1367 CD2 TYR A 90 -2.212 -9.118 7.129 1.00 0.00 C ATOM 1368 CE1 TYR A 90 0.127 -9.219 8.648 1.00 0.00 C ATOM 1369 CE2 TYR A 90 -2.225 -9.612 8.482 1.00 0.00 C ATOM 1370 CZ TYR A 90 -1.055 -9.638 9.174 1.00 0.00 C ATOM 1371 OH TYR A 90 -1.067 -10.104 10.452 1.00 0.00 O ATOM 0 H TYR A 90 -3.129 -6.537 5.061 1.00 0.00 H new ATOM 0 HA TYR A 90 -0.210 -6.168 5.557 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -1.879 -8.563 4.596 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -0.127 -8.538 4.622 1.00 0.00 H new ATOM 0 HD1 TYR A 90 1.065 -8.386 6.853 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -3.127 -9.087 6.557 1.00 0.00 H new ATOM 0 HE1 TYR A 90 1.035 -9.256 9.231 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -3.143 -9.954 8.936 1.00 0.00 H new ATOM 0 HH TYR A 90 -1.952 -10.470 10.658 1.00 0.00 H new ATOM 1381 N LEU A 91 0.261 -5.755 3.190 1.00 0.00 N ATOM 1382 CA LEU A 91 0.515 -5.336 1.822 1.00 0.00 C ATOM 1383 C LEU A 91 1.658 -6.171 1.241 1.00 0.00 C ATOM 1384 O LEU A 91 2.748 -6.218 1.810 1.00 0.00 O ATOM 1385 CB LEU A 91 0.762 -3.827 1.761 1.00 0.00 C ATOM 1386 CG LEU A 91 1.157 -3.267 0.393 1.00 0.00 C ATOM 1387 CD1 LEU A 91 -0.054 -3.196 -0.540 1.00 0.00 C ATOM 1388 CD2 LEU A 91 1.851 -1.911 0.535 1.00 0.00 C ATOM 0 H LEU A 91 1.053 -5.646 3.823 1.00 0.00 H new ATOM 0 HA LEU A 91 -0.361 -5.517 1.199 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -0.142 -3.317 2.093 1.00 0.00 H new ATOM 0 HB3 LEU A 91 1.548 -3.578 2.474 1.00 0.00 H new ATOM 0 HG LEU A 91 1.875 -3.950 -0.062 1.00 0.00 H new ATOM 0 HD11 LEU A 91 0.254 -2.795 -1.506 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -0.467 -4.195 -0.677 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -0.813 -2.547 -0.103 1.00 0.00 H new ATOM 0 HD21 LEU A 91 2.121 -1.535 -0.452 1.00 0.00 H new ATOM 0 HD22 LEU A 91 1.176 -1.206 1.019 1.00 0.00 H new ATOM 0 HD23 LEU A 91 2.751 -2.024 1.139 1.00 0.00 H new ATOM 1400 N ALA A 92 1.371 -6.809 0.116 1.00 0.00 N ATOM 1401 CA ALA A 92 2.361 -7.639 -0.547 1.00 0.00 C ATOM 1402 C ALA A 92 2.628 -7.085 -1.948 1.00 0.00 C ATOM 1403 O ALA A 92 1.719 -7.007 -2.773 1.00 0.00 O ATOM 1404 CB ALA A 92 1.875 -9.089 -0.577 1.00 0.00 C ATOM 0 H ALA A 92 0.466 -6.768 -0.353 1.00 0.00 H new ATOM 0 HA ALA A 92 3.304 -7.623 -0.000 1.00 0.00 H new ATOM 0 HB1 ALA A 92 2.618 -9.712 -1.075 1.00 0.00 H new ATOM 0 HB2 ALA A 92 1.728 -9.445 0.443 1.00 0.00 H new ATOM 0 HB3 ALA A 92 0.932 -9.145 -1.120 1.00 0.00 H new ATOM 1410 N TYR A 93 3.880 -6.715 -2.175 1.00 0.00 N ATOM 1411 CA TYR A 93 4.279 -6.170 -3.462 1.00 0.00 C ATOM 1412 C TYR A 93 5.651 -6.701 -3.880 1.00 0.00 C ATOM 1413 O TYR A 93 6.434 -7.139 -3.038 1.00 0.00 O ATOM 1414 CB TYR A 93 4.367 -4.655 -3.270 1.00 0.00 C ATOM 1415 CG TYR A 93 5.441 -4.216 -2.272 1.00 0.00 C ATOM 1416 CD1 TYR A 93 6.752 -4.087 -2.683 1.00 0.00 C ATOM 1417 CD2 TYR A 93 5.099 -3.949 -0.962 1.00 0.00 C ATOM 1418 CE1 TYR A 93 7.763 -3.674 -1.744 1.00 0.00 C ATOM 1419 CE2 TYR A 93 6.110 -3.535 -0.024 1.00 0.00 C ATOM 1420 CZ TYR A 93 7.392 -3.419 -0.461 1.00 0.00 C ATOM 1421 OH TYR A 93 8.347 -3.028 0.425 1.00 0.00 O ATOM 0 H TYR A 93 4.632 -6.782 -1.489 1.00 0.00 H new ATOM 0 HA TYR A 93 3.565 -6.452 -4.236 1.00 0.00 H new ATOM 0 HB2 TYR A 93 4.569 -4.188 -4.234 1.00 0.00 H new ATOM 0 HB3 TYR A 93 3.399 -4.285 -2.933 1.00 0.00 H new ATOM 0 HD1 TYR A 93 7.020 -4.296 -3.708 1.00 0.00 H new ATOM 0 HD2 TYR A 93 4.073 -4.051 -0.640 1.00 0.00 H new ATOM 0 HE1 TYR A 93 8.793 -3.569 -2.052 1.00 0.00 H new ATOM 0 HE2 TYR A 93 5.855 -3.321 1.004 1.00 0.00 H new ATOM 0 HH TYR A 93 7.938 -2.880 1.303 1.00 0.00 H new ATOM 1431 N GLU A 94 5.902 -6.643 -5.180 1.00 0.00 N ATOM 1432 CA GLU A 94 7.167 -7.112 -5.720 1.00 0.00 C ATOM 1433 C GLU A 94 8.111 -5.932 -5.960 1.00 0.00 C ATOM 1434 O GLU A 94 7.675 -4.857 -6.370 1.00 0.00 O ATOM 1435 CB GLU A 94 6.951 -7.912 -7.006 1.00 0.00 C ATOM 1436 CG GLU A 94 7.053 -7.010 -8.237 1.00 0.00 C ATOM 1437 CD GLU A 94 6.687 -7.776 -9.510 1.00 0.00 C ATOM 1438 OE1 GLU A 94 5.642 -8.461 -9.480 1.00 0.00 O ATOM 1439 OE2 GLU A 94 7.461 -7.660 -10.484 1.00 0.00 O ATOM 0 H GLU A 94 5.251 -6.278 -5.875 1.00 0.00 H new ATOM 0 HA GLU A 94 7.627 -7.778 -4.990 1.00 0.00 H new ATOM 0 HB2 GLU A 94 7.692 -8.708 -7.072 1.00 0.00 H new ATOM 0 HB3 GLU A 94 5.972 -8.390 -6.981 1.00 0.00 H new ATOM 0 HG2 GLU A 94 6.389 -6.153 -8.120 1.00 0.00 H new ATOM 0 HG3 GLU A 94 8.067 -6.619 -8.323 1.00 0.00 H new ATOM 1446 N GLY A 95 9.386 -6.173 -5.695 1.00 0.00 N ATOM 1447 CA GLY A 95 10.396 -5.144 -5.878 1.00 0.00 C ATOM 1448 C GLY A 95 10.165 -3.974 -4.919 1.00 0.00 C ATOM 1449 O GLY A 95 9.061 -3.793 -4.409 1.00 0.00 O ATOM 0 H GLY A 95 9.743 -7.066 -5.355 1.00 0.00 H new ATOM 0 HA2 GLY A 95 11.386 -5.567 -5.710 1.00 0.00 H new ATOM 0 HA3 GLY A 95 10.373 -4.786 -6.907 1.00 0.00 H new ATOM 1453 N GLU A 96 11.226 -3.209 -4.703 1.00 0.00 N ATOM 1454 CA GLU A 96 11.153 -2.062 -3.815 1.00 0.00 C ATOM 1455 C GLU A 96 10.136 -1.047 -4.342 1.00 0.00 C ATOM 1456 O GLU A 96 9.532 -1.257 -5.392 1.00 0.00 O ATOM 1457 CB GLU A 96 12.529 -1.417 -3.638 1.00 0.00 C ATOM 1458 CG GLU A 96 12.972 -0.709 -4.920 1.00 0.00 C ATOM 1459 CD GLU A 96 13.510 0.691 -4.616 1.00 0.00 C ATOM 1460 OE1 GLU A 96 12.889 1.365 -3.766 1.00 0.00 O ATOM 1461 OE2 GLU A 96 14.530 1.054 -5.239 1.00 0.00 O ATOM 0 H GLU A 96 12.141 -3.362 -5.128 1.00 0.00 H new ATOM 0 HA GLU A 96 10.821 -2.406 -2.836 1.00 0.00 H new ATOM 0 HB2 GLU A 96 12.496 -0.702 -2.816 1.00 0.00 H new ATOM 0 HB3 GLU A 96 13.260 -2.179 -3.368 1.00 0.00 H new ATOM 0 HG2 GLU A 96 13.742 -1.298 -5.417 1.00 0.00 H new ATOM 0 HG3 GLU A 96 12.131 -0.637 -5.609 1.00 0.00 H new ATOM 1468 N ARG A 97 9.978 0.031 -3.587 1.00 0.00 N ATOM 1469 CA ARG A 97 9.045 1.078 -3.964 1.00 0.00 C ATOM 1470 C ARG A 97 9.664 1.981 -5.034 1.00 0.00 C ATOM 1471 O ARG A 97 10.884 2.025 -5.183 1.00 0.00 O ATOM 1472 CB ARG A 97 8.652 1.928 -2.754 1.00 0.00 C ATOM 1473 CG ARG A 97 8.361 1.048 -1.537 1.00 0.00 C ATOM 1474 CD ARG A 97 7.710 1.860 -0.416 1.00 0.00 C ATOM 1475 NE ARG A 97 8.475 1.694 0.840 1.00 0.00 N ATOM 1476 CZ ARG A 97 9.557 2.417 1.161 1.00 0.00 C ATOM 1477 NH1 ARG A 97 10.006 3.360 0.321 1.00 0.00 N ATOM 1478 NH2 ARG A 97 10.188 2.198 2.322 1.00 0.00 N ATOM 0 H ARG A 97 10.481 0.201 -2.716 1.00 0.00 H new ATOM 0 HA ARG A 97 8.151 0.598 -4.362 1.00 0.00 H new ATOM 0 HB2 ARG A 97 9.456 2.626 -2.519 1.00 0.00 H new ATOM 0 HB3 ARG A 97 7.772 2.525 -2.995 1.00 0.00 H new ATOM 0 HG2 ARG A 97 7.704 0.228 -1.826 1.00 0.00 H new ATOM 0 HG3 ARG A 97 9.288 0.602 -1.177 1.00 0.00 H new ATOM 0 HD2 ARG A 97 7.674 2.914 -0.693 1.00 0.00 H new ATOM 0 HD3 ARG A 97 6.680 1.533 -0.270 1.00 0.00 H new ATOM 0 HE ARG A 97 8.159 0.986 1.502 1.00 0.00 H new ATOM 0 HH11 ARG A 97 9.524 3.527 -0.562 1.00 0.00 H new ATOM 0 HH12 ARG A 97 10.829 3.910 0.565 1.00 0.00 H new ATOM 0 HH21 ARG A 97 9.845 1.481 2.962 1.00 0.00 H new ATOM 0 HH22 ARG A 97 11.011 2.748 2.567 1.00 0.00 H new ATOM 1492 N THR A 98 8.794 2.678 -5.750 1.00 0.00 N ATOM 1493 CA THR A 98 9.240 3.577 -6.801 1.00 0.00 C ATOM 1494 C THR A 98 9.933 4.801 -6.197 1.00 0.00 C ATOM 1495 O THR A 98 10.282 4.802 -5.018 1.00 0.00 O ATOM 1496 CB THR A 98 8.029 3.930 -7.667 1.00 0.00 C ATOM 1497 OG1 THR A 98 7.024 4.297 -6.725 1.00 0.00 O ATOM 1498 CG2 THR A 98 7.444 2.709 -8.379 1.00 0.00 C ATOM 0 H THR A 98 7.783 2.638 -5.623 1.00 0.00 H new ATOM 0 HA THR A 98 9.986 3.102 -7.438 1.00 0.00 H new ATOM 0 HB THR A 98 8.316 4.678 -8.406 1.00 0.00 H new ATOM 0 HG1 THR A 98 6.410 3.545 -6.592 1.00 0.00 H new ATOM 0 HG21 THR A 98 6.587 3.014 -8.980 1.00 0.00 H new ATOM 0 HG22 THR A 98 8.202 2.267 -9.026 1.00 0.00 H new ATOM 0 HG23 THR A 98 7.125 1.975 -7.639 1.00 0.00 H new ATOM 1506 N ILE A 99 10.110 5.813 -7.034 1.00 0.00 N ATOM 1507 CA ILE A 99 10.755 7.040 -6.598 1.00 0.00 C ATOM 1508 C ILE A 99 9.690 8.025 -6.111 1.00 0.00 C ATOM 1509 O ILE A 99 8.618 8.129 -6.704 1.00 0.00 O ATOM 1510 CB ILE A 99 11.649 7.599 -7.707 1.00 0.00 C ATOM 1511 CG1 ILE A 99 12.765 6.614 -8.060 1.00 0.00 C ATOM 1512 CG2 ILE A 99 12.198 8.975 -7.327 1.00 0.00 C ATOM 1513 CD1 ILE A 99 12.715 6.237 -9.542 1.00 0.00 C ATOM 0 H ILE A 99 9.818 5.808 -8.011 1.00 0.00 H new ATOM 0 HA ILE A 99 11.418 6.844 -5.755 1.00 0.00 H new ATOM 0 HB ILE A 99 11.041 7.731 -8.602 1.00 0.00 H new ATOM 0 HG12 ILE A 99 13.733 7.057 -7.826 1.00 0.00 H new ATOM 0 HG13 ILE A 99 12.669 5.716 -7.449 1.00 0.00 H new ATOM 0 HG21 ILE A 99 12.830 9.350 -8.132 1.00 0.00 H new ATOM 0 HG22 ILE A 99 11.370 9.665 -7.165 1.00 0.00 H new ATOM 0 HG23 ILE A 99 12.786 8.892 -6.413 1.00 0.00 H new ATOM 0 HD11 ILE A 99 13.519 5.536 -9.766 1.00 0.00 H new ATOM 0 HD12 ILE A 99 11.755 5.772 -9.767 1.00 0.00 H new ATOM 0 HD13 ILE A 99 12.835 7.134 -10.150 1.00 0.00 H new ATOM 1525 N ARG A 100 10.023 8.723 -5.035 1.00 0.00 N ATOM 1526 CA ARG A 100 9.109 9.696 -4.462 1.00 0.00 C ATOM 1527 C ARG A 100 8.946 10.890 -5.404 1.00 0.00 C ATOM 1528 O ARG A 100 9.912 11.335 -6.022 1.00 0.00 O ATOM 1529 CB ARG A 100 9.612 10.191 -3.104 1.00 0.00 C ATOM 1530 CG ARG A 100 9.547 9.079 -2.056 1.00 0.00 C ATOM 1531 CD ARG A 100 10.849 9.002 -1.256 1.00 0.00 C ATOM 1532 NE ARG A 100 11.793 8.069 -1.913 1.00 0.00 N ATOM 1533 CZ ARG A 100 13.025 7.805 -1.459 1.00 0.00 C ATOM 1534 NH1 ARG A 100 13.472 8.401 -0.346 1.00 0.00 N ATOM 1535 NH2 ARG A 100 13.812 6.944 -2.120 1.00 0.00 N ATOM 0 H ARG A 100 10.913 8.634 -4.545 1.00 0.00 H new ATOM 0 HA ARG A 100 8.146 9.205 -4.323 1.00 0.00 H new ATOM 0 HB2 ARG A 100 10.638 10.546 -3.200 1.00 0.00 H new ATOM 0 HB3 ARG A 100 9.011 11.039 -2.777 1.00 0.00 H new ATOM 0 HG2 ARG A 100 8.711 9.260 -1.380 1.00 0.00 H new ATOM 0 HG3 ARG A 100 9.360 8.123 -2.546 1.00 0.00 H new ATOM 0 HD2 ARG A 100 11.298 9.992 -1.180 1.00 0.00 H new ATOM 0 HD3 ARG A 100 10.642 8.667 -0.240 1.00 0.00 H new ATOM 0 HE ARG A 100 11.486 7.598 -2.764 1.00 0.00 H new ATOM 0 HH11 ARG A 100 12.874 9.057 0.157 1.00 0.00 H new ATOM 0 HH12 ARG A 100 14.410 8.199 -0.001 1.00 0.00 H new ATOM 0 HH21 ARG A 100 13.472 6.490 -2.968 1.00 0.00 H new ATOM 0 HH22 ARG A 100 14.750 6.743 -1.775 1.00 0.00 H new ATOM 1549 N GLY A 101 7.715 11.376 -5.484 1.00 0.00 N ATOM 1550 CA GLY A 101 7.413 12.510 -6.341 1.00 0.00 C ATOM 1551 C GLY A 101 5.910 12.795 -6.362 1.00 0.00 C ATOM 1552 O GLY A 101 5.099 11.889 -6.174 1.00 0.00 O ATOM 0 H GLY A 101 6.916 11.005 -4.970 1.00 0.00 H new ATOM 0 HA2 GLY A 101 7.949 13.391 -5.987 1.00 0.00 H new ATOM 0 HA3 GLY A 101 7.763 12.309 -7.353 1.00 0.00 H new ATOM 1556 N SER A 102 5.583 14.058 -6.593 1.00 0.00 N ATOM 1557 CA SER A 102 4.192 14.475 -6.641 1.00 0.00 C ATOM 1558 C SER A 102 3.991 15.500 -7.759 1.00 0.00 C ATOM 1559 O SER A 102 4.934 16.180 -8.159 1.00 0.00 O ATOM 1560 CB SER A 102 3.745 15.058 -5.299 1.00 0.00 C ATOM 1561 OG SER A 102 3.554 14.046 -4.314 1.00 0.00 O ATOM 0 H SER A 102 6.258 14.807 -6.749 1.00 0.00 H new ATOM 0 HA SER A 102 3.579 13.598 -6.847 1.00 0.00 H new ATOM 0 HB2 SER A 102 4.491 15.770 -4.947 1.00 0.00 H new ATOM 0 HB3 SER A 102 2.816 15.611 -5.436 1.00 0.00 H new ATOM 0 HG SER A 102 3.271 14.459 -3.472 1.00 0.00 H new ATOM 1567 N GLY A 103 2.755 15.578 -8.231 1.00 0.00 N ATOM 1568 CA GLY A 103 2.418 16.509 -9.294 1.00 0.00 C ATOM 1569 C GLY A 103 1.626 17.700 -8.751 1.00 0.00 C ATOM 1570 O GLY A 103 0.438 17.577 -8.457 1.00 0.00 O ATOM 0 H GLY A 103 1.975 15.012 -7.897 1.00 0.00 H new ATOM 0 HA2 GLY A 103 3.330 16.863 -9.774 1.00 0.00 H new ATOM 0 HA3 GLY A 103 1.833 15.997 -10.058 1.00 0.00 H new ATOM 1574 N PRO A 104 2.334 18.854 -8.629 1.00 0.00 N ATOM 1575 CA PRO A 104 1.709 20.066 -8.126 1.00 0.00 C ATOM 1576 C PRO A 104 0.800 20.694 -9.184 1.00 0.00 C ATOM 1577 O PRO A 104 0.733 20.214 -10.314 1.00 0.00 O ATOM 1578 CB PRO A 104 2.866 20.968 -7.726 1.00 0.00 C ATOM 1579 CG PRO A 104 4.088 20.422 -8.446 1.00 0.00 C ATOM 1580 CD PRO A 104 3.743 19.037 -8.967 1.00 0.00 C ATOM 0 HA PRO A 104 1.054 19.879 -7.275 1.00 0.00 H new ATOM 0 HB2 PRO A 104 2.673 22.002 -8.013 1.00 0.00 H new ATOM 0 HB3 PRO A 104 3.013 20.959 -6.646 1.00 0.00 H new ATOM 0 HG2 PRO A 104 4.372 21.079 -9.268 1.00 0.00 H new ATOM 0 HG3 PRO A 104 4.940 20.373 -7.768 1.00 0.00 H new ATOM 0 HD2 PRO A 104 3.904 18.967 -10.043 1.00 0.00 H new ATOM 0 HD3 PRO A 104 4.365 18.272 -8.501 1.00 0.00 H new ATOM 1588 N SER A 105 0.123 21.759 -8.779 1.00 0.00 N ATOM 1589 CA SER A 105 -0.780 22.458 -9.678 1.00 0.00 C ATOM 1590 C SER A 105 -2.043 21.625 -9.903 1.00 0.00 C ATOM 1591 O SER A 105 -2.009 20.615 -10.604 1.00 0.00 O ATOM 1592 CB SER A 105 -0.100 22.762 -11.015 1.00 0.00 C ATOM 1593 OG SER A 105 -0.706 23.864 -11.683 1.00 0.00 O ATOM 0 H SER A 105 0.182 22.155 -7.841 1.00 0.00 H new ATOM 0 HA SER A 105 -1.055 23.406 -9.217 1.00 0.00 H new ATOM 0 HB2 SER A 105 0.955 22.977 -10.845 1.00 0.00 H new ATOM 0 HB3 SER A 105 -0.147 21.880 -11.654 1.00 0.00 H new ATOM 0 HG SER A 105 -0.243 24.027 -12.531 1.00 0.00 H new ATOM 1599 N SER A 106 -3.129 22.079 -9.295 1.00 0.00 N ATOM 1600 CA SER A 106 -4.401 21.388 -9.420 1.00 0.00 C ATOM 1601 C SER A 106 -5.263 22.069 -10.485 1.00 0.00 C ATOM 1602 O SER A 106 -5.747 23.181 -10.280 1.00 0.00 O ATOM 1603 CB SER A 106 -5.142 21.352 -8.082 1.00 0.00 C ATOM 1604 OG SER A 106 -6.227 20.428 -8.097 1.00 0.00 O ATOM 0 H SER A 106 -3.154 22.917 -8.714 1.00 0.00 H new ATOM 0 HA SER A 106 -4.204 20.360 -9.723 1.00 0.00 H new ATOM 0 HB2 SER A 106 -4.445 21.080 -7.289 1.00 0.00 H new ATOM 0 HB3 SER A 106 -5.518 22.348 -7.849 1.00 0.00 H new ATOM 0 HG SER A 106 -6.673 20.433 -7.225 1.00 0.00 H new ATOM 1610 N GLY A 107 -5.429 21.372 -11.600 1.00 0.00 N ATOM 1611 CA GLY A 107 -6.224 21.895 -12.698 1.00 0.00 C ATOM 1612 C GLY A 107 -6.277 20.900 -13.859 1.00 0.00 C ATOM 1613 O GLY A 107 -6.800 21.214 -14.927 1.00 0.00 O ATOM 0 H GLY A 107 -5.026 20.450 -11.766 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -7.235 22.108 -12.351 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -5.800 22.838 -13.042 1.00 0.00 H new TER 1617 GLY A 107