USER MOD reduce.3.24.130724 H: found=0, std=0, add=662, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 153 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 32 GLN : amide:sc= -4.82! C(o=-5.1!,f=-11!) USER MOD Set 1.2: A 56 THR OG1 : rot -73:sc= -0.242 USER MOD Set 2.1: A 52 TYR OH : rot -113:sc= -2.72! USER MOD Set 2.2: A 80 TYR OH : rot 64:sc= 0.47 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 180:sc= -1.28 USER MOD Single : A 18 THR OG1 : rot -152:sc= 0.301 USER MOD Single : A 20 ASN : amide:sc= 0 X(o=0,f=-0.18) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 38 GLN : amide:sc= -0.0953 K(o=-0.095,f=-1.3) USER MOD Single : A 39 ASN : amide:sc= -1.66 K(o=-1.7,f=-5.6!) USER MOD Single : A 42 SER OG : rot -52:sc= 0.289 USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 HIS : no HD1:sc= -0.648 K(o=-0.65,f=-1.8) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 THR OG1 : rot 90:sc= -2.04! USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot 103:sc= 0.109 USER MOD Single : A 72 THR OG1 : rot -127:sc= 0.703 USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 GLN : amide:sc= -0.044 K(o=-0.044,f=-1) USER MOD Single : A 81 TYR OH : rot -30:sc= -0.177 USER MOD Single : A 82 THR OG1 : rot 70:sc= 0.438 USER MOD Single : A 85 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 86 TYR OH : rot -125:sc= 1.96 USER MOD Single : A 88 THR OG1 : rot 101:sc= 0.351 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 94 GLN : amide:sc= 0.0214 K(o=0.021,f=-1.7!) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 12 N VAL A 2 4.130 0.880 -2.090 1.00 0.00 N ATOM 13 CA VAL A 2 5.360 1.700 -2.130 1.00 0.00 C ATOM 14 C VAL A 2 4.980 3.060 -2.730 1.00 0.00 C ATOM 15 O VAL A 2 4.280 3.110 -3.740 1.00 0.00 O ATOM 16 CB VAL A 2 6.430 1.010 -3.000 1.00 0.00 C ATOM 17 CG1 VAL A 2 7.800 1.600 -2.720 1.00 0.00 C ATOM 18 CG2 VAL A 2 6.610 -0.450 -2.650 1.00 0.00 C ATOM 0 HA VAL A 2 5.775 1.824 -1.130 1.00 0.00 H new ATOM 0 HB VAL A 2 6.087 1.145 -4.026 1.00 0.00 H new ATOM 0 HG11 VAL A 2 8.544 1.103 -3.342 1.00 0.00 H new ATOM 0 HG12 VAL A 2 7.791 2.666 -2.948 1.00 0.00 H new ATOM 0 HG13 VAL A 2 8.050 1.456 -1.669 1.00 0.00 H new ATOM 0 HG21 VAL A 2 7.375 -0.887 -3.293 1.00 0.00 H new ATOM 0 HG22 VAL A 2 6.917 -0.539 -1.608 1.00 0.00 H new ATOM 0 HG23 VAL A 2 5.668 -0.978 -2.797 1.00 0.00 H new ATOM 20 N SER A 3 5.580 4.120 -2.190 1.00 0.00 N ATOM 21 CA SER A 3 5.370 5.490 -2.690 1.00 0.00 C ATOM 22 C SER A 3 6.190 5.790 -3.970 1.00 0.00 C ATOM 23 O SER A 3 6.230 6.920 -4.470 1.00 0.00 O ATOM 24 CB SER A 3 5.700 6.500 -1.590 1.00 0.00 C ATOM 25 OG SER A 3 4.810 7.620 -1.690 1.00 0.00 O ATOM 0 H SER A 3 6.222 4.061 -1.399 1.00 0.00 H new ATOM 0 HA SER A 3 4.319 5.580 -2.965 1.00 0.00 H new ATOM 0 HB2 SER A 3 5.604 6.032 -0.610 1.00 0.00 H new ATOM 0 HB3 SER A 3 6.734 6.833 -1.685 1.00 0.00 H new ATOM 0 HG SER A 3 5.019 8.268 -0.985 1.00 0.00 H new ATOM 28 N GLY A 4 6.840 4.750 -4.470 1.00 0.00 N ATOM 29 CA GLY A 4 7.680 4.770 -5.670 1.00 0.00 C ATOM 30 C GLY A 4 9.090 4.280 -5.330 1.00 0.00 C ATOM 31 O GLY A 4 9.330 3.700 -4.270 1.00 0.00 O ATOM 0 H GLY A 4 6.798 3.828 -4.036 1.00 0.00 H new ATOM 0 HA2 GLY A 4 7.242 4.136 -6.441 1.00 0.00 H new ATOM 0 HA3 GLY A 4 7.725 5.781 -6.076 1.00 0.00 H new ATOM 33 N THR A 5 9.960 4.370 -6.320 1.00 0.00 N ATOM 34 CA THR A 5 11.370 3.950 -6.190 1.00 0.00 C ATOM 35 C THR A 5 12.230 5.170 -5.810 1.00 0.00 C ATOM 36 O THR A 5 11.760 6.300 -5.740 1.00 0.00 O ATOM 37 CB THR A 5 11.800 3.310 -7.520 1.00 0.00 C ATOM 38 OG1 THR A 5 10.710 2.540 -8.030 1.00 0.00 O ATOM 39 CG2 THR A 5 13.000 2.370 -7.380 1.00 0.00 C ATOM 0 H THR A 5 9.723 4.735 -7.243 1.00 0.00 H new ATOM 0 HA THR A 5 11.501 3.211 -5.399 1.00 0.00 H new ATOM 0 HB THR A 5 12.086 4.126 -8.184 1.00 0.00 H new ATOM 0 HG1 THR A 5 10.970 2.127 -8.880 1.00 0.00 H new ATOM 0 HG21 THR A 5 13.251 1.953 -8.355 1.00 0.00 H new ATOM 0 HG22 THR A 5 13.854 2.925 -6.992 1.00 0.00 H new ATOM 0 HG23 THR A 5 12.751 1.562 -6.693 1.00 0.00 H new ATOM 42 N VAL A 6 13.470 4.890 -5.450 1.00 0.00 N ATOM 43 CA VAL A 6 14.430 5.900 -5.010 1.00 0.00 C ATOM 44 C VAL A 6 15.770 5.580 -5.650 1.00 0.00 C ATOM 45 O VAL A 6 16.280 4.450 -5.610 1.00 0.00 O ATOM 46 CB VAL A 6 14.420 5.970 -3.460 1.00 0.00 C ATOM 47 CG1 VAL A 6 15.270 4.940 -2.740 1.00 0.00 C ATOM 48 CG2 VAL A 6 14.810 7.380 -3.010 1.00 0.00 C ATOM 0 H VAL A 6 13.849 3.943 -5.453 1.00 0.00 H new ATOM 0 HA VAL A 6 14.173 6.908 -5.335 1.00 0.00 H new ATOM 0 HB VAL A 6 13.397 5.725 -3.173 1.00 0.00 H new ATOM 0 HG11 VAL A 6 15.185 5.086 -1.663 1.00 0.00 H new ATOM 0 HG12 VAL A 6 14.925 3.939 -2.999 1.00 0.00 H new ATOM 0 HG13 VAL A 6 16.312 5.054 -3.040 1.00 0.00 H new ATOM 0 HG21 VAL A 6 14.803 7.429 -1.921 1.00 0.00 H new ATOM 0 HG22 VAL A 6 15.809 7.616 -3.378 1.00 0.00 H new ATOM 0 HG23 VAL A 6 14.096 8.100 -3.410 1.00 0.00 H new ATOM 50 N CYS A 7 16.120 6.480 -6.560 1.00 0.00 N ATOM 51 CA CYS A 7 17.420 6.410 -7.250 1.00 0.00 C ATOM 52 C CYS A 7 18.530 6.220 -6.220 1.00 0.00 C ATOM 53 O CYS A 7 18.550 6.890 -5.180 1.00 0.00 O ATOM 54 CB CYS A 7 17.640 7.700 -8.060 1.00 0.00 C ATOM 55 SG CYS A 7 16.370 7.880 -9.360 1.00 0.00 S ATOM 0 H CYS A 7 15.533 7.265 -6.842 1.00 0.00 H new ATOM 0 HA CYS A 7 17.433 5.563 -7.936 1.00 0.00 H new ATOM 0 HB2 CYS A 7 17.608 8.562 -7.394 1.00 0.00 H new ATOM 0 HB3 CYS A 7 18.631 7.684 -8.514 1.00 0.00 H new ATOM 57 N LEU A 8 19.360 5.210 -6.450 1.00 0.00 N ATOM 58 CA LEU A 8 20.530 4.940 -5.580 1.00 0.00 C ATOM 59 C LEU A 8 21.410 6.180 -5.410 1.00 0.00 C ATOM 60 O LEU A 8 21.830 6.470 -4.290 1.00 0.00 O ATOM 61 CB LEU A 8 21.380 3.810 -6.150 1.00 0.00 C ATOM 62 CG LEU A 8 21.830 2.740 -5.140 1.00 0.00 C ATOM 63 CD1 LEU A 8 23.220 2.290 -5.580 1.00 0.00 C ATOM 64 CD2 LEU A 8 21.910 3.170 -3.670 1.00 0.00 C ATOM 0 H LEU A 8 19.257 4.557 -7.227 1.00 0.00 H new ATOM 0 HA LEU A 8 20.136 4.652 -4.606 1.00 0.00 H new ATOM 0 HB2 LEU A 8 20.816 3.320 -6.943 1.00 0.00 H new ATOM 0 HB3 LEU A 8 22.267 4.244 -6.611 1.00 0.00 H new ATOM 0 HG LEU A 8 21.065 1.964 -5.156 1.00 0.00 H new ATOM 0 HD11 LEU A 8 23.589 1.527 -4.895 1.00 0.00 H new ATOM 0 HD12 LEU A 8 23.167 1.878 -6.588 1.00 0.00 H new ATOM 0 HD13 LEU A 8 23.898 3.143 -5.572 1.00 0.00 H new ATOM 0 HD21 LEU A 8 22.238 2.327 -3.062 1.00 0.00 H new ATOM 0 HD22 LEU A 8 22.621 3.990 -3.569 1.00 0.00 H new ATOM 0 HD23 LEU A 8 20.927 3.499 -3.333 1.00 0.00 H new ATOM 66 N SER A 9 21.510 7.000 -6.470 1.00 0.00 N ATOM 67 CA SER A 9 22.220 8.300 -6.420 1.00 0.00 C ATOM 68 C SER A 9 21.540 9.310 -5.460 1.00 0.00 C ATOM 69 O SER A 9 22.200 10.110 -4.810 1.00 0.00 O ATOM 70 CB SER A 9 22.320 8.910 -7.820 1.00 0.00 C ATOM 71 OG SER A 9 23.110 10.100 -7.760 1.00 0.00 O ATOM 0 H SER A 9 21.106 6.787 -7.382 1.00 0.00 H new ATOM 0 HA SER A 9 23.219 8.097 -6.034 1.00 0.00 H new ATOM 0 HB2 SER A 9 22.769 8.195 -8.510 1.00 0.00 H new ATOM 0 HB3 SER A 9 21.325 9.139 -8.202 1.00 0.00 H new ATOM 0 HG SER A 9 23.178 10.493 -8.655 1.00 0.00 H new ATOM 74 N ALA A 10 20.220 9.170 -5.330 1.00 0.00 N ATOM 75 CA ALA A 10 19.400 9.970 -4.380 1.00 0.00 C ATOM 76 C ALA A 10 19.590 9.490 -2.930 1.00 0.00 C ATOM 77 O ALA A 10 19.370 10.230 -1.970 1.00 0.00 O ATOM 78 CB ALA A 10 17.930 9.880 -4.780 1.00 0.00 C ATOM 0 H ALA A 10 19.676 8.501 -5.875 1.00 0.00 H new ATOM 0 HA ALA A 10 19.730 11.008 -4.428 1.00 0.00 H new ATOM 0 HB1 ALA A 10 17.327 10.465 -4.085 1.00 0.00 H new ATOM 0 HB2 ALA A 10 17.803 10.271 -5.789 1.00 0.00 H new ATOM 0 HB3 ALA A 10 17.608 8.839 -4.751 1.00 0.00 H new ATOM 80 N LEU A 11 19.950 8.220 -2.790 1.00 0.00 N ATOM 81 CA LEU A 11 20.240 7.600 -1.480 1.00 0.00 C ATOM 82 C LEU A 11 21.680 7.840 -0.990 1.00 0.00 C ATOM 83 O LEU A 11 22.530 8.270 -1.780 1.00 0.00 O ATOM 84 CB LEU A 11 19.930 6.120 -1.600 1.00 0.00 C ATOM 85 CG LEU A 11 18.460 5.800 -1.340 1.00 0.00 C ATOM 86 CD1 LEU A 11 18.450 4.310 -1.080 1.00 0.00 C ATOM 87 CD2 LEU A 11 17.850 6.460 -0.110 1.00 0.00 C ATOM 0 H LEU A 11 20.053 7.580 -3.577 1.00 0.00 H new ATOM 0 HA LEU A 11 19.613 8.069 -0.721 1.00 0.00 H new ATOM 0 HB2 LEU A 11 20.201 5.777 -2.598 1.00 0.00 H new ATOM 0 HB3 LEU A 11 20.548 5.566 -0.894 1.00 0.00 H new ATOM 0 HG LEU A 11 17.877 6.159 -2.188 1.00 0.00 H new ATOM 0 HD11 LEU A 11 17.430 3.982 -0.881 1.00 0.00 H new ATOM 0 HD12 LEU A 11 18.836 3.786 -1.954 1.00 0.00 H new ATOM 0 HD13 LEU A 11 19.077 4.087 -0.217 1.00 0.00 H new ATOM 0 HD21 LEU A 11 16.804 6.165 -0.020 1.00 0.00 H new ATOM 0 HD22 LEU A 11 18.394 6.144 0.780 1.00 0.00 H new ATOM 0 HD23 LEU A 11 17.914 7.544 -0.209 1.00 0.00 H new ATOM 89 N PRO A 12 21.950 7.640 0.320 1.00 0.00 N ATOM 90 CA PRO A 12 23.290 7.860 0.890 1.00 0.00 C ATOM 91 C PRO A 12 24.340 6.850 0.370 1.00 0.00 C ATOM 92 O PRO A 12 23.950 5.810 -0.180 1.00 0.00 O ATOM 93 CB PRO A 12 23.060 7.780 2.410 1.00 0.00 C ATOM 94 CG PRO A 12 21.850 6.880 2.600 1.00 0.00 C ATOM 95 CD PRO A 12 21.010 7.230 1.380 1.00 0.00 C ATOM 0 HA PRO A 12 23.717 8.818 0.594 1.00 0.00 H new ATOM 0 HB2 PRO A 12 23.934 7.371 2.917 1.00 0.00 H new ATOM 0 HB3 PRO A 12 22.881 8.769 2.831 1.00 0.00 H new ATOM 0 HG2 PRO A 12 22.124 5.825 2.620 1.00 0.00 H new ATOM 0 HG3 PRO A 12 21.326 7.091 3.532 1.00 0.00 H new ATOM 0 HD2 PRO A 12 20.416 6.373 1.060 1.00 0.00 H new ATOM 0 HD3 PRO A 12 20.311 8.034 1.609 1.00 0.00 H new ATOM 96 N PRO A 13 25.640 7.070 0.610 1.00 0.00 N ATOM 97 CA PRO A 13 26.700 6.110 0.230 1.00 0.00 C ATOM 98 C PRO A 13 26.600 4.780 1.000 1.00 0.00 C ATOM 99 O PRO A 13 27.080 3.740 0.550 1.00 0.00 O ATOM 100 CB PRO A 13 28.010 6.830 0.510 1.00 0.00 C ATOM 101 CG PRO A 13 27.670 7.800 1.640 1.00 0.00 C ATOM 102 CD PRO A 13 26.240 8.230 1.310 1.00 0.00 C ATOM 0 HA PRO A 13 26.611 5.822 -0.818 1.00 0.00 H new ATOM 0 HB2 PRO A 13 28.793 6.132 0.806 1.00 0.00 H new ATOM 0 HB3 PRO A 13 28.371 7.358 -0.373 1.00 0.00 H new ATOM 0 HG2 PRO A 13 27.731 7.319 2.616 1.00 0.00 H new ATOM 0 HG3 PRO A 13 28.352 8.650 1.660 1.00 0.00 H new ATOM 0 HD2 PRO A 13 25.684 8.476 2.214 1.00 0.00 H new ATOM 0 HD3 PRO A 13 26.231 9.119 0.679 1.00 0.00 H new ATOM 103 N GLU A 14 25.880 4.820 2.120 1.00 0.00 N ATOM 104 CA GLU A 14 25.610 3.610 2.910 1.00 0.00 C ATOM 105 C GLU A 14 24.420 2.810 2.390 1.00 0.00 C ATOM 106 O GLU A 14 24.400 1.590 2.560 1.00 0.00 O ATOM 107 CB GLU A 14 25.440 3.960 4.390 1.00 0.00 C ATOM 108 CG GLU A 14 25.350 2.660 5.160 1.00 0.00 C ATOM 109 CD GLU A 14 26.690 2.010 5.530 1.00 0.00 C ATOM 110 OE1 GLU A 14 27.740 2.680 5.430 1.00 0.00 O ATOM 111 OE2 GLU A 14 26.600 0.870 6.040 1.00 0.00 O ATOM 0 H GLU A 14 25.472 5.673 2.504 1.00 0.00 H new ATOM 0 HA GLU A 14 26.480 2.962 2.801 1.00 0.00 H new ATOM 0 HB2 GLU A 14 26.282 4.556 4.742 1.00 0.00 H new ATOM 0 HB3 GLU A 14 24.541 4.558 4.541 1.00 0.00 H new ATOM 0 HG2 GLU A 14 24.790 2.841 6.077 1.00 0.00 H new ATOM 0 HG3 GLU A 14 24.773 1.949 4.569 1.00 0.00 H new ATOM 113 N ALA A 15 23.470 3.450 1.720 1.00 0.00 N ATOM 114 CA ALA A 15 22.320 2.740 1.120 1.00 0.00 C ATOM 115 C ALA A 15 22.720 1.490 0.310 1.00 0.00 C ATOM 116 O ALA A 15 22.260 0.390 0.610 1.00 0.00 O ATOM 117 CB ALA A 15 21.550 3.710 0.250 1.00 0.00 C ATOM 0 H ALA A 15 23.463 4.459 1.572 1.00 0.00 H new ATOM 0 HA ALA A 15 21.698 2.374 1.937 1.00 0.00 H new ATOM 0 HB1 ALA A 15 20.698 3.199 -0.199 1.00 0.00 H new ATOM 0 HB2 ALA A 15 21.195 4.541 0.859 1.00 0.00 H new ATOM 0 HB3 ALA A 15 22.202 4.089 -0.537 1.00 0.00 H new ATOM 119 N THR A 16 23.840 1.650 -0.400 1.00 0.00 N ATOM 120 CA THR A 16 24.490 0.560 -1.150 1.00 0.00 C ATOM 121 C THR A 16 25.140 -0.490 -0.250 1.00 0.00 C ATOM 122 O THR A 16 25.170 -1.660 -0.600 1.00 0.00 O ATOM 123 CB THR A 16 25.430 1.130 -2.230 1.00 0.00 C ATOM 124 OG1 THR A 16 24.960 0.600 -3.470 1.00 0.00 O ATOM 125 CG2 THR A 16 26.940 0.840 -2.080 1.00 0.00 C ATOM 0 H THR A 16 24.328 2.543 -0.474 1.00 0.00 H new ATOM 0 HA THR A 16 23.709 0.006 -1.671 1.00 0.00 H new ATOM 0 HB THR A 16 25.385 2.216 -2.148 1.00 0.00 H new ATOM 0 HG1 THR A 16 25.522 0.931 -4.201 1.00 0.00 H new ATOM 0 HG21 THR A 16 27.482 1.299 -2.907 1.00 0.00 H new ATOM 0 HG22 THR A 16 27.298 1.253 -1.137 1.00 0.00 H new ATOM 0 HG23 THR A 16 27.106 -0.237 -2.090 1.00 0.00 H new ATOM 128 N ASP A 17 25.690 -0.070 0.890 1.00 0.00 N ATOM 129 CA ASP A 17 26.370 -0.940 1.870 1.00 0.00 C ATOM 130 C ASP A 17 25.430 -2.080 2.280 1.00 0.00 C ATOM 131 O ASP A 17 25.720 -3.210 1.910 1.00 0.00 O ATOM 132 CB ASP A 17 26.770 -0.150 3.110 1.00 0.00 C ATOM 133 CG ASP A 17 27.730 -0.860 4.080 1.00 0.00 C ATOM 134 OD1 ASP A 17 27.390 -1.970 4.520 1.00 0.00 O ATOM 135 OD2 ASP A 17 28.720 -0.180 4.430 1.00 0.00 O ATOM 0 H ASP A 17 25.678 0.910 1.172 1.00 0.00 H new ATOM 0 HA ASP A 17 27.270 -1.344 1.407 1.00 0.00 H new ATOM 0 HB2 ASP A 17 27.234 0.783 2.789 1.00 0.00 H new ATOM 0 HB3 ASP A 17 25.864 0.116 3.655 1.00 0.00 H new ATOM 137 N THR A 18 24.250 -1.750 2.790 1.00 0.00 N ATOM 138 CA THR A 18 23.240 -2.780 3.090 1.00 0.00 C ATOM 139 C THR A 18 22.890 -3.650 1.870 1.00 0.00 C ATOM 140 O THR A 18 22.860 -4.870 1.970 1.00 0.00 O ATOM 141 CB THR A 18 22.030 -2.210 3.820 1.00 0.00 C ATOM 142 OG1 THR A 18 22.330 -2.140 5.220 1.00 0.00 O ATOM 143 CG2 THR A 18 20.750 -2.970 3.590 1.00 0.00 C ATOM 0 H THR A 18 23.963 -0.795 3.005 1.00 0.00 H new ATOM 0 HA THR A 18 23.698 -3.473 3.796 1.00 0.00 H new ATOM 0 HB THR A 18 21.846 -1.218 3.408 1.00 0.00 H new ATOM 0 HG1 THR A 18 21.501 -2.219 5.737 1.00 0.00 H new ATOM 0 HG21 THR A 18 19.941 -2.497 4.146 1.00 0.00 H new ATOM 0 HG22 THR A 18 20.510 -2.966 2.527 1.00 0.00 H new ATOM 0 HG23 THR A 18 20.871 -3.998 3.931 1.00 0.00 H new ATOM 146 N LEU A 19 22.620 -3.010 0.740 1.00 0.00 N ATOM 147 CA LEU A 19 22.310 -3.740 -0.500 1.00 0.00 C ATOM 148 C LEU A 19 23.400 -4.710 -0.940 1.00 0.00 C ATOM 149 O LEU A 19 23.110 -5.850 -1.260 1.00 0.00 O ATOM 150 CB LEU A 19 22.010 -2.760 -1.640 1.00 0.00 C ATOM 151 CG LEU A 19 20.880 -1.790 -1.330 1.00 0.00 C ATOM 152 CD1 LEU A 19 20.360 -1.360 -2.690 1.00 0.00 C ATOM 153 CD2 LEU A 19 19.720 -2.370 -0.510 1.00 0.00 C ATOM 0 H LEU A 19 22.607 -1.994 0.648 1.00 0.00 H new ATOM 0 HA LEU A 19 21.430 -4.341 -0.271 1.00 0.00 H new ATOM 0 HB2 LEU A 19 22.913 -2.192 -1.866 1.00 0.00 H new ATOM 0 HB3 LEU A 19 21.756 -3.326 -2.536 1.00 0.00 H new ATOM 0 HG LEU A 19 21.271 -0.985 -0.708 1.00 0.00 H new ATOM 0 HD11 LEU A 19 19.538 -0.656 -2.559 1.00 0.00 H new ATOM 0 HD12 LEU A 19 21.162 -0.881 -3.252 1.00 0.00 H new ATOM 0 HD13 LEU A 19 20.005 -2.234 -3.237 1.00 0.00 H new ATOM 0 HD21 LEU A 19 18.969 -1.597 -0.345 1.00 0.00 H new ATOM 0 HD22 LEU A 19 19.271 -3.202 -1.053 1.00 0.00 H new ATOM 0 HD23 LEU A 19 20.095 -2.723 0.451 1.00 0.00 H new ATOM 155 N ASN A 20 24.640 -4.310 -0.650 1.00 0.00 N ATOM 156 CA ASN A 20 25.820 -5.140 -0.870 1.00 0.00 C ATOM 157 C ASN A 20 25.810 -6.330 0.070 1.00 0.00 C ATOM 158 O ASN A 20 26.120 -7.440 -0.330 1.00 0.00 O ATOM 159 CB ASN A 20 27.080 -4.330 -0.550 1.00 0.00 C ATOM 160 CG ASN A 20 28.110 -4.490 -1.650 1.00 0.00 C ATOM 161 OD1 ASN A 20 28.290 -5.510 -2.280 1.00 0.00 O ATOM 162 ND2 ASN A 20 28.820 -3.400 -1.860 1.00 0.00 N ATOM 0 H ASN A 20 24.852 -3.394 -0.253 1.00 0.00 H new ATOM 0 HA ASN A 20 25.812 -5.472 -1.908 1.00 0.00 H new ATOM 0 HB2 ASN A 20 26.823 -3.277 -0.436 1.00 0.00 H new ATOM 0 HB3 ASN A 20 27.500 -4.661 0.400 1.00 0.00 H new ATOM 0 HD21 ASN A 20 29.550 -3.396 -2.573 1.00 0.00 H new ATOM 0 HD22 ASN A 20 28.640 -2.560 -1.310 1.00 0.00 H new ATOM 166 N LEU A 21 25.280 -6.130 1.260 1.00 0.00 N ATOM 167 CA LEU A 21 25.140 -7.210 2.240 1.00 0.00 C ATOM 168 C LEU A 21 23.970 -8.140 1.870 1.00 0.00 C ATOM 169 O LEU A 21 24.060 -9.330 2.130 1.00 0.00 O ATOM 170 CB LEU A 21 24.900 -6.540 3.580 1.00 0.00 C ATOM 171 CG LEU A 21 25.800 -5.390 4.010 1.00 0.00 C ATOM 172 CD1 LEU A 21 25.190 -4.710 5.230 1.00 0.00 C ATOM 173 CD2 LEU A 21 27.250 -5.810 4.230 1.00 0.00 C ATOM 0 H LEU A 21 24.934 -5.226 1.582 1.00 0.00 H new ATOM 0 HA LEU A 21 26.033 -7.834 2.268 1.00 0.00 H new ATOM 0 HB2 LEU A 21 23.874 -6.172 3.583 1.00 0.00 H new ATOM 0 HB3 LEU A 21 24.964 -7.311 4.348 1.00 0.00 H new ATOM 0 HG LEU A 21 25.850 -4.669 3.194 1.00 0.00 H new ATOM 0 HD11 LEU A 21 25.829 -3.885 5.544 1.00 0.00 H new ATOM 0 HD12 LEU A 21 24.201 -4.327 4.977 1.00 0.00 H new ATOM 0 HD13 LEU A 21 25.103 -5.431 6.043 1.00 0.00 H new ATOM 0 HD21 LEU A 21 27.837 -4.944 4.535 1.00 0.00 H new ATOM 0 HD22 LEU A 21 27.294 -6.571 5.009 1.00 0.00 H new ATOM 0 HD23 LEU A 21 27.656 -6.216 3.303 1.00 0.00 H new ATOM 175 N ILE A 22 22.910 -7.660 1.240 1.00 0.00 N ATOM 176 CA ILE A 22 21.850 -8.540 0.680 1.00 0.00 C ATOM 177 C ILE A 22 22.360 -9.330 -0.540 1.00 0.00 C ATOM 178 O ILE A 22 22.020 -10.500 -0.710 1.00 0.00 O ATOM 179 CB ILE A 22 20.600 -7.710 0.360 1.00 0.00 C ATOM 180 CG1 ILE A 22 19.940 -7.370 1.680 1.00 0.00 C ATOM 181 CG2 ILE A 22 19.570 -8.390 -0.560 1.00 0.00 C ATOM 182 CD1 ILE A 22 20.070 -5.880 1.970 1.00 0.00 C ATOM 0 H ILE A 22 22.744 -6.664 1.094 1.00 0.00 H new ATOM 0 HA ILE A 22 21.575 -9.283 1.428 1.00 0.00 H new ATOM 0 HB ILE A 22 20.935 -6.835 -0.197 1.00 0.00 H new ATOM 0 HG12 ILE A 22 18.887 -7.651 1.651 1.00 0.00 H new ATOM 0 HG13 ILE A 22 20.401 -7.945 2.483 1.00 0.00 H new ATOM 0 HG21 ILE A 22 18.727 -7.718 -0.722 1.00 0.00 H new ATOM 0 HG22 ILE A 22 20.036 -8.625 -1.517 1.00 0.00 H new ATOM 0 HG23 ILE A 22 19.217 -9.310 -0.093 1.00 0.00 H new ATOM 0 HD11 ILE A 22 19.591 -5.651 2.922 1.00 0.00 H new ATOM 0 HD12 ILE A 22 21.125 -5.610 2.021 1.00 0.00 H new ATOM 0 HD13 ILE A 22 19.588 -5.311 1.175 1.00 0.00 H new ATOM 184 N ALA A 23 23.130 -8.630 -1.370 1.00 0.00 N ATOM 185 CA ALA A 23 23.710 -9.200 -2.600 1.00 0.00 C ATOM 186 C ALA A 23 24.860 -10.180 -2.310 1.00 0.00 C ATOM 187 O ALA A 23 24.870 -11.290 -2.820 1.00 0.00 O ATOM 188 CB ALA A 23 24.200 -8.060 -3.500 1.00 0.00 C ATOM 0 H ALA A 23 23.374 -7.652 -1.216 1.00 0.00 H new ATOM 0 HA ALA A 23 22.930 -9.771 -3.104 1.00 0.00 H new ATOM 0 HB1 ALA A 23 24.630 -8.475 -4.411 1.00 0.00 H new ATOM 0 HB2 ALA A 23 23.361 -7.413 -3.757 1.00 0.00 H new ATOM 0 HB3 ALA A 23 24.958 -7.480 -2.973 1.00 0.00 H new ATOM 190 N SER A 24 25.710 -9.810 -1.360 1.00 0.00 N ATOM 191 CA SER A 24 26.860 -10.620 -0.910 1.00 0.00 C ATOM 192 C SER A 24 26.500 -11.500 0.300 1.00 0.00 C ATOM 193 O SER A 24 27.370 -12.160 0.880 1.00 0.00 O ATOM 194 CB SER A 24 28.020 -9.690 -0.540 1.00 0.00 C ATOM 195 OG SER A 24 29.280 -10.230 -0.930 1.00 0.00 O ATOM 0 H SER A 24 25.627 -8.922 -0.864 1.00 0.00 H new ATOM 0 HA SER A 24 27.149 -11.280 -1.728 1.00 0.00 H new ATOM 0 HB2 SER A 24 27.876 -8.722 -1.020 1.00 0.00 H new ATOM 0 HB3 SER A 24 28.017 -9.516 0.536 1.00 0.00 H new ATOM 0 HG SER A 24 29.994 -9.608 -0.679 1.00 0.00 H new ATOM 198 N ASP A 25 25.210 -11.530 0.670 1.00 0.00 N ATOM 199 CA ASP A 25 24.680 -12.260 1.840 1.00 0.00 C ATOM 200 C ASP A 25 25.550 -12.070 3.100 1.00 0.00 C ATOM 201 O ASP A 25 25.690 -12.950 3.950 1.00 0.00 O ATOM 202 CB ASP A 25 24.490 -13.730 1.460 1.00 0.00 C ATOM 203 CG ASP A 25 23.120 -14.260 1.870 1.00 0.00 C ATOM 204 OD1 ASP A 25 22.720 -14.020 3.030 1.00 0.00 O ATOM 205 OD2 ASP A 25 22.480 -14.900 1.000 1.00 0.00 O ATOM 0 H ASP A 25 24.484 -11.035 0.152 1.00 0.00 H new ATOM 0 HA ASP A 25 23.710 -11.843 2.112 1.00 0.00 H new ATOM 0 HB2 ASP A 25 24.614 -13.844 0.383 1.00 0.00 H new ATOM 0 HB3 ASP A 25 25.266 -14.329 1.935 1.00 0.00 H new ATOM 207 N GLY A 26 26.090 -10.860 3.190 1.00 0.00 N ATOM 208 CA GLY A 26 27.060 -10.450 4.220 1.00 0.00 C ATOM 209 C GLY A 26 28.530 -10.420 3.780 1.00 0.00 C ATOM 210 O GLY A 26 28.820 -10.340 2.580 1.00 0.00 O ATOM 0 H GLY A 26 25.865 -10.111 2.535 1.00 0.00 H new ATOM 0 HA2 GLY A 26 26.786 -9.456 4.575 1.00 0.00 H new ATOM 0 HA3 GLY A 26 26.968 -11.128 5.069 1.00 0.00 H new ATOM 212 N PRO A 27 29.420 -10.290 4.780 1.00 0.00 N ATOM 213 CA PRO A 27 29.090 -10.110 6.210 1.00 0.00 C ATOM 214 C PRO A 27 28.590 -8.690 6.490 1.00 0.00 C ATOM 215 O PRO A 27 28.980 -7.730 5.820 1.00 0.00 O ATOM 216 CB PRO A 27 30.370 -10.430 6.960 1.00 0.00 C ATOM 217 CG PRO A 27 31.480 -10.090 5.970 1.00 0.00 C ATOM 218 CD PRO A 27 30.880 -10.360 4.580 1.00 0.00 C ATOM 0 HA PRO A 27 28.277 -10.763 6.529 1.00 0.00 H new ATOM 0 HB2 PRO A 27 30.455 -9.839 7.872 1.00 0.00 H new ATOM 0 HB3 PRO A 27 30.407 -11.479 7.255 1.00 0.00 H new ATOM 0 HG2 PRO A 27 31.791 -9.050 6.069 1.00 0.00 H new ATOM 0 HG3 PRO A 27 32.364 -10.704 6.143 1.00 0.00 H new ATOM 0 HD2 PRO A 27 31.216 -9.620 3.854 1.00 0.00 H new ATOM 0 HD3 PRO A 27 31.181 -11.337 4.202 1.00 0.00 H new ATOM 219 N PHE A 28 27.590 -8.630 7.350 1.00 0.00 N ATOM 220 CA PHE A 28 26.920 -7.370 7.700 1.00 0.00 C ATOM 221 C PHE A 28 27.600 -6.680 8.910 1.00 0.00 C ATOM 222 O PHE A 28 28.010 -7.380 9.840 1.00 0.00 O ATOM 223 CB PHE A 28 25.450 -7.610 8.010 1.00 0.00 C ATOM 224 CG PHE A 28 24.590 -8.190 6.870 1.00 0.00 C ATOM 225 CD1 PHE A 28 24.740 -9.530 6.460 1.00 0.00 C ATOM 226 CD2 PHE A 28 23.550 -7.400 6.340 1.00 0.00 C ATOM 227 CE1 PHE A 28 23.870 -10.080 5.490 1.00 0.00 C ATOM 228 CE2 PHE A 28 22.690 -7.950 5.360 1.00 0.00 C ATOM 229 CZ PHE A 28 22.870 -9.280 4.920 1.00 0.00 C ATOM 0 H PHE A 28 27.212 -9.447 7.830 1.00 0.00 H new ATOM 0 HA PHE A 28 27.003 -6.710 6.836 1.00 0.00 H new ATOM 0 HB2 PHE A 28 25.388 -8.287 8.862 1.00 0.00 H new ATOM 0 HB3 PHE A 28 25.009 -6.663 8.322 1.00 0.00 H new ATOM 0 HD1 PHE A 28 25.522 -10.139 6.888 1.00 0.00 H new ATOM 0 HD2 PHE A 28 23.411 -6.384 6.679 1.00 0.00 H new ATOM 0 HE1 PHE A 28 23.976 -11.112 5.190 1.00 0.00 H new ATOM 0 HE2 PHE A 28 21.893 -7.350 4.947 1.00 0.00 H new ATOM 0 HZ PHE A 28 22.236 -9.681 4.143 1.00 0.00 H new ATOM 231 N PRO A 29 27.790 -5.350 8.850 1.00 0.00 N ATOM 232 CA PRO A 29 28.440 -4.570 9.920 1.00 0.00 C ATOM 233 C PRO A 29 27.530 -4.430 11.140 1.00 0.00 C ATOM 234 O PRO A 29 27.820 -4.960 12.210 1.00 0.00 O ATOM 235 CB PRO A 29 28.820 -3.240 9.270 1.00 0.00 C ATOM 236 CG PRO A 29 27.800 -3.050 8.150 1.00 0.00 C ATOM 237 CD PRO A 29 27.500 -4.480 7.690 1.00 0.00 C ATOM 0 HA PRO A 29 29.329 -5.059 10.318 1.00 0.00 H new ATOM 0 HB2 PRO A 29 28.776 -2.421 9.988 1.00 0.00 H new ATOM 0 HB3 PRO A 29 29.837 -3.267 8.879 1.00 0.00 H new ATOM 0 HG2 PRO A 29 26.901 -2.547 8.507 1.00 0.00 H new ATOM 0 HG3 PRO A 29 28.203 -2.444 7.339 1.00 0.00 H new ATOM 0 HD2 PRO A 29 26.460 -4.580 7.378 1.00 0.00 H new ATOM 0 HD3 PRO A 29 28.117 -4.752 6.834 1.00 0.00 H new ATOM 238 N TYR A 30 26.390 -3.760 10.960 1.00 0.00 N ATOM 239 CA TYR A 30 25.370 -3.610 12.000 1.00 0.00 C ATOM 240 C TYR A 30 24.760 -4.950 12.430 1.00 0.00 C ATOM 241 O TYR A 30 24.720 -5.880 11.630 1.00 0.00 O ATOM 242 CB TYR A 30 24.270 -2.660 11.500 1.00 0.00 C ATOM 243 CG TYR A 30 24.420 -1.240 12.050 1.00 0.00 C ATOM 244 CD1 TYR A 30 25.670 -0.720 12.460 1.00 0.00 C ATOM 245 CD2 TYR A 30 23.240 -0.470 12.130 1.00 0.00 C ATOM 246 CE1 TYR A 30 25.750 0.610 12.930 1.00 0.00 C ATOM 247 CE2 TYR A 30 23.320 0.870 12.580 1.00 0.00 C ATOM 248 CZ TYR A 30 24.570 1.390 12.960 1.00 0.00 C ATOM 249 OH TYR A 30 24.670 2.710 13.240 1.00 0.00 O ATOM 0 H TYR A 30 26.147 -3.303 10.081 1.00 0.00 H new ATOM 0 HA TYR A 30 25.857 -3.192 12.881 1.00 0.00 H new ATOM 0 HB2 TYR A 30 24.292 -2.627 10.411 1.00 0.00 H new ATOM 0 HB3 TYR A 30 23.296 -3.055 11.788 1.00 0.00 H new ATOM 0 HD1 TYR A 30 26.557 -1.335 12.414 1.00 0.00 H new ATOM 0 HD2 TYR A 30 22.288 -0.897 11.852 1.00 0.00 H new ATOM 0 HE1 TYR A 30 26.692 1.023 13.259 1.00 0.00 H new ATOM 0 HE2 TYR A 30 22.433 1.484 12.631 1.00 0.00 H new ATOM 0 HH TYR A 30 23.778 3.116 13.224 1.00 0.00 H new ATOM 252 N SER A 31 24.170 -4.950 13.620 1.00 0.00 N ATOM 253 CA SER A 31 23.420 -6.120 14.130 1.00 0.00 C ATOM 254 C SER A 31 22.010 -6.250 13.540 1.00 0.00 C ATOM 255 O SER A 31 21.220 -7.110 13.930 1.00 0.00 O ATOM 256 CB SER A 31 23.320 -6.100 15.660 1.00 0.00 C ATOM 257 OG SER A 31 24.370 -6.890 16.210 1.00 0.00 O ATOM 0 H SER A 31 24.190 -4.156 14.260 1.00 0.00 H new ATOM 0 HA SER A 31 23.996 -6.987 13.806 1.00 0.00 H new ATOM 0 HB2 SER A 31 23.389 -5.076 16.027 1.00 0.00 H new ATOM 0 HB3 SER A 31 22.352 -6.488 15.978 1.00 0.00 H new ATOM 0 HG SER A 31 24.310 -6.878 17.188 1.00 0.00 H new ATOM 260 N GLN A 32 21.720 -5.420 12.540 1.00 0.00 N ATOM 261 CA GLN A 32 20.410 -5.400 11.900 1.00 0.00 C ATOM 262 C GLN A 32 20.440 -6.060 10.530 1.00 0.00 C ATOM 263 O GLN A 32 20.680 -5.430 9.500 1.00 0.00 O ATOM 264 CB GLN A 32 19.930 -3.970 11.790 1.00 0.00 C ATOM 265 CG GLN A 32 18.620 -3.870 12.570 1.00 0.00 C ATOM 266 CD GLN A 32 18.410 -2.440 13.050 1.00 0.00 C ATOM 267 OE1 GLN A 32 19.230 -1.560 12.890 1.00 0.00 O ATOM 268 NE2 GLN A 32 17.300 -2.200 13.690 1.00 0.00 N ATOM 0 H GLN A 32 22.383 -4.747 12.154 1.00 0.00 H new ATOM 0 HA GLN A 32 19.718 -5.974 12.516 1.00 0.00 H new ATOM 0 HB2 GLN A 32 20.673 -3.283 12.196 1.00 0.00 H new ATOM 0 HB3 GLN A 32 19.778 -3.695 10.746 1.00 0.00 H new ATOM 0 HG2 GLN A 32 17.786 -4.177 11.938 1.00 0.00 H new ATOM 0 HG3 GLN A 32 18.641 -4.549 13.422 1.00 0.00 H new ATOM 0 HE21 GLN A 32 16.615 -2.945 13.821 1.00 0.00 H new ATOM 0 HE22 GLN A 32 17.116 -1.267 14.060 1.00 0.00 H new ATOM 272 N ASP A 33 20.330 -7.380 10.640 1.00 0.00 N ATOM 273 CA ASP A 33 20.380 -8.290 9.500 1.00 0.00 C ATOM 274 C ASP A 33 20.170 -9.760 9.840 1.00 0.00 C ATOM 275 O ASP A 33 20.750 -10.250 10.800 1.00 0.00 O ATOM 276 CB ASP A 33 21.740 -8.190 8.830 1.00 0.00 C ATOM 277 CG ASP A 33 22.930 -8.640 9.670 1.00 0.00 C ATOM 278 OD1 ASP A 33 23.420 -7.810 10.460 1.00 0.00 O ATOM 279 OD2 ASP A 33 23.420 -9.750 9.350 1.00 0.00 O ATOM 0 H ASP A 33 20.202 -7.854 11.534 1.00 0.00 H new ATOM 0 HA ASP A 33 19.557 -7.976 8.858 1.00 0.00 H new ATOM 0 HB2 ASP A 33 21.718 -8.785 7.917 1.00 0.00 H new ATOM 0 HB3 ASP A 33 21.901 -7.154 8.532 1.00 0.00 H new ATOM 281 N GLY A 34 19.620 -10.440 8.840 1.00 0.00 N ATOM 282 CA GLY A 34 19.340 -11.890 8.900 1.00 0.00 C ATOM 283 C GLY A 34 18.040 -12.150 9.680 1.00 0.00 C ATOM 284 O GLY A 34 17.930 -13.100 10.450 1.00 0.00 O ATOM 0 H GLY A 34 19.351 -10.009 7.956 1.00 0.00 H new ATOM 0 HA2 GLY A 34 19.254 -12.293 7.891 1.00 0.00 H new ATOM 0 HA3 GLY A 34 20.170 -12.408 9.380 1.00 0.00 H new ATOM 286 N VAL A 35 17.100 -11.220 9.500 1.00 0.00 N ATOM 287 CA VAL A 35 15.770 -11.250 10.120 1.00 0.00 C ATOM 288 C VAL A 35 14.700 -10.980 9.060 1.00 0.00 C ATOM 289 O VAL A 35 14.930 -10.160 8.170 1.00 0.00 O ATOM 290 CB VAL A 35 15.660 -10.240 11.290 1.00 0.00 C ATOM 291 CG1 VAL A 35 16.640 -10.580 12.420 1.00 0.00 C ATOM 292 CG2 VAL A 35 15.860 -8.780 10.870 1.00 0.00 C ATOM 0 H VAL A 35 17.244 -10.404 8.905 1.00 0.00 H new ATOM 0 HA VAL A 35 15.611 -12.243 10.541 1.00 0.00 H new ATOM 0 HB VAL A 35 14.635 -10.337 11.647 1.00 0.00 H new ATOM 0 HG11 VAL A 35 16.536 -9.851 13.224 1.00 0.00 H new ATOM 0 HG12 VAL A 35 16.422 -11.577 12.803 1.00 0.00 H new ATOM 0 HG13 VAL A 35 17.660 -10.554 12.037 1.00 0.00 H new ATOM 0 HG21 VAL A 35 15.768 -8.134 11.743 1.00 0.00 H new ATOM 0 HG22 VAL A 35 16.851 -8.660 10.432 1.00 0.00 H new ATOM 0 HG23 VAL A 35 15.103 -8.506 10.135 1.00 0.00 H new ATOM 294 N VAL A 36 13.550 -11.610 9.260 1.00 0.00 N ATOM 295 CA VAL A 36 12.350 -11.440 8.430 1.00 0.00 C ATOM 296 C VAL A 36 11.550 -10.210 8.910 1.00 0.00 C ATOM 297 O VAL A 36 11.640 -9.770 10.050 1.00 0.00 O ATOM 298 CB VAL A 36 11.520 -12.750 8.400 1.00 0.00 C ATOM 299 CG1 VAL A 36 10.050 -12.620 7.980 1.00 0.00 C ATOM 300 CG2 VAL A 36 12.170 -13.750 7.450 1.00 0.00 C ATOM 0 H VAL A 36 13.416 -12.273 10.023 1.00 0.00 H new ATOM 0 HA VAL A 36 12.635 -11.243 7.397 1.00 0.00 H new ATOM 0 HB VAL A 36 11.516 -13.074 9.441 1.00 0.00 H new ATOM 0 HG11 VAL A 36 9.578 -13.602 7.998 1.00 0.00 H new ATOM 0 HG12 VAL A 36 9.532 -11.955 8.671 1.00 0.00 H new ATOM 0 HG13 VAL A 36 9.995 -12.210 6.972 1.00 0.00 H new ATOM 0 HG21 VAL A 36 11.584 -14.669 7.432 1.00 0.00 H new ATOM 0 HG22 VAL A 36 12.210 -13.326 6.447 1.00 0.00 H new ATOM 0 HG23 VAL A 36 13.181 -13.972 7.791 1.00 0.00 H new ATOM 302 N PHE A 37 10.800 -9.660 7.970 1.00 0.00 N ATOM 303 CA PHE A 37 9.860 -8.550 8.230 1.00 0.00 C ATOM 304 C PHE A 37 8.520 -8.890 7.580 1.00 0.00 C ATOM 305 O PHE A 37 8.300 -8.520 6.430 1.00 0.00 O ATOM 306 CB PHE A 37 10.480 -7.270 7.650 1.00 0.00 C ATOM 307 CG PHE A 37 9.540 -6.060 7.690 1.00 0.00 C ATOM 308 CD1 PHE A 37 9.100 -5.530 8.920 1.00 0.00 C ATOM 309 CD2 PHE A 37 9.150 -5.450 6.480 1.00 0.00 C ATOM 310 CE1 PHE A 37 8.280 -4.390 8.950 1.00 0.00 C ATOM 311 CE2 PHE A 37 8.350 -4.290 6.490 1.00 0.00 C ATOM 312 CZ PHE A 37 7.920 -3.770 7.730 1.00 0.00 C ATOM 0 H PHE A 37 10.816 -9.963 6.996 1.00 0.00 H new ATOM 0 HA PHE A 37 9.683 -8.397 9.295 1.00 0.00 H new ATOM 0 HB2 PHE A 37 11.388 -7.033 8.204 1.00 0.00 H new ATOM 0 HB3 PHE A 37 10.776 -7.455 6.618 1.00 0.00 H new ATOM 0 HD1 PHE A 37 9.395 -6.003 9.845 1.00 0.00 H new ATOM 0 HD2 PHE A 37 9.467 -5.875 5.539 1.00 0.00 H new ATOM 0 HE1 PHE A 37 7.929 -3.992 9.891 1.00 0.00 H new ATOM 0 HE2 PHE A 37 8.071 -3.807 5.565 1.00 0.00 H new ATOM 0 HZ PHE A 37 7.305 -2.882 7.748 1.00 0.00 H new ATOM 314 N GLN A 38 7.590 -9.530 8.280 1.00 0.00 N ATOM 315 CA GLN A 38 6.270 -9.860 7.700 1.00 0.00 C ATOM 316 C GLN A 38 5.380 -8.620 7.530 1.00 0.00 C ATOM 317 O GLN A 38 4.310 -8.520 8.120 1.00 0.00 O ATOM 318 CB GLN A 38 5.570 -10.930 8.550 1.00 0.00 C ATOM 319 CG GLN A 38 4.440 -11.590 7.760 1.00 0.00 C ATOM 320 CD GLN A 38 3.010 -11.260 8.200 1.00 0.00 C ATOM 321 OE1 GLN A 38 2.720 -10.670 9.230 1.00 0.00 O ATOM 322 NE2 GLN A 38 2.070 -11.760 7.440 1.00 0.00 N ATOM 0 H GLN A 38 7.713 -9.834 9.246 1.00 0.00 H new ATOM 0 HA GLN A 38 6.441 -10.259 6.700 1.00 0.00 H new ATOM 0 HB2 GLN A 38 6.292 -11.685 8.862 1.00 0.00 H new ATOM 0 HB3 GLN A 38 5.170 -10.477 9.458 1.00 0.00 H new ATOM 0 HG2 GLN A 38 4.547 -11.308 6.712 1.00 0.00 H new ATOM 0 HG3 GLN A 38 4.572 -12.671 7.815 1.00 0.00 H new ATOM 0 HE21 GLN A 38 2.316 -12.252 6.581 1.00 0.00 H new ATOM 0 HE22 GLN A 38 1.091 -11.658 7.706 1.00 0.00 H new ATOM 326 N ASN A 39 5.910 -7.630 6.810 1.00 0.00 N ATOM 327 CA ASN A 39 5.340 -6.300 6.550 1.00 0.00 C ATOM 328 C ASN A 39 4.380 -5.890 7.670 1.00 0.00 C ATOM 329 O ASN A 39 3.180 -5.760 7.460 1.00 0.00 O ATOM 330 CB ASN A 39 4.670 -6.260 5.170 1.00 0.00 C ATOM 331 CG ASN A 39 3.400 -7.120 5.090 1.00 0.00 C ATOM 332 OD1 ASN A 39 3.350 -8.280 5.470 1.00 0.00 O ATOM 333 ND2 ASN A 39 2.410 -6.650 4.370 1.00 0.00 N ATOM 0 H ASN A 39 6.817 -7.742 6.358 1.00 0.00 H new ATOM 0 HA ASN A 39 6.149 -5.569 6.539 1.00 0.00 H new ATOM 0 HB2 ASN A 39 4.419 -5.228 4.925 1.00 0.00 H new ATOM 0 HB3 ASN A 39 5.381 -6.602 4.418 1.00 0.00 H new ATOM 0 HD21 ASN A 39 1.619 -7.250 4.138 1.00 0.00 H new ATOM 0 HD22 ASN A 39 2.431 -5.684 4.042 1.00 0.00 H new ATOM 337 N ARG A 40 4.890 -5.900 8.900 1.00 0.00 N ATOM 338 CA ARG A 40 4.010 -5.700 10.070 1.00 0.00 C ATOM 339 C ARG A 40 3.230 -4.390 9.980 1.00 0.00 C ATOM 340 O ARG A 40 2.080 -4.280 10.410 1.00 0.00 O ATOM 341 CB ARG A 40 4.750 -5.750 11.400 1.00 0.00 C ATOM 342 CG ARG A 40 5.600 -7.010 11.590 1.00 0.00 C ATOM 343 CD ARG A 40 7.080 -6.670 11.390 1.00 0.00 C ATOM 344 NE ARG A 40 7.490 -5.650 12.370 1.00 0.00 N ATOM 345 CZ ARG A 40 8.720 -5.450 12.840 1.00 0.00 C ATOM 346 NH1 ARG A 40 9.740 -6.180 12.430 1.00 0.00 N ATOM 347 NH2 ARG A 40 8.950 -4.510 13.750 1.00 0.00 N ATOM 0 H ARG A 40 5.876 -6.039 9.119 1.00 0.00 H new ATOM 0 HA ARG A 40 3.315 -6.539 10.042 1.00 0.00 H new ATOM 0 HB2 ARG A 40 5.394 -4.874 11.480 1.00 0.00 H new ATOM 0 HB3 ARG A 40 4.024 -5.687 12.211 1.00 0.00 H new ATOM 0 HG2 ARG A 40 5.443 -7.419 12.588 1.00 0.00 H new ATOM 0 HG3 ARG A 40 5.294 -7.777 10.879 1.00 0.00 H new ATOM 0 HD2 ARG A 40 7.688 -7.567 11.507 1.00 0.00 H new ATOM 0 HD3 ARG A 40 7.245 -6.303 10.377 1.00 0.00 H new ATOM 0 HE ARG A 40 6.758 -5.035 12.725 1.00 0.00 H new ATOM 0 HH11 ARG A 40 9.595 -6.916 11.739 1.00 0.00 H new ATOM 0 HH12 ARG A 40 10.673 -6.008 12.804 1.00 0.00 H new ATOM 0 HH21 ARG A 40 8.181 -3.935 14.094 1.00 0.00 H new ATOM 0 HH22 ARG A 40 9.895 -4.364 14.104 1.00 0.00 H new ATOM 354 N GLU A 41 3.840 -3.470 9.240 1.00 0.00 N ATOM 355 CA GLU A 41 3.230 -2.190 8.860 1.00 0.00 C ATOM 356 C GLU A 41 2.190 -2.260 7.740 1.00 0.00 C ATOM 357 O GLU A 41 1.500 -1.270 7.510 1.00 0.00 O ATOM 358 CB GLU A 41 4.320 -1.200 8.500 1.00 0.00 C ATOM 359 CG GLU A 41 4.410 -0.240 9.680 1.00 0.00 C ATOM 360 CD GLU A 41 5.240 1.020 9.430 1.00 0.00 C ATOM 361 OE1 GLU A 41 5.960 1.060 8.410 1.00 0.00 O ATOM 362 OE2 GLU A 41 5.210 1.840 10.360 1.00 0.00 O ATOM 0 H GLU A 41 4.787 -3.590 8.879 1.00 0.00 H new ATOM 0 HA GLU A 41 2.669 -1.864 9.736 1.00 0.00 H new ATOM 0 HB2 GLU A 41 5.271 -1.707 8.334 1.00 0.00 H new ATOM 0 HB3 GLU A 41 4.078 -0.668 7.580 1.00 0.00 H new ATOM 0 HG2 GLU A 41 3.401 0.059 9.963 1.00 0.00 H new ATOM 0 HG3 GLU A 41 4.835 -0.773 10.531 1.00 0.00 H new ATOM 364 N SER A 42 2.130 -3.380 7.010 1.00 0.00 N ATOM 365 CA SER A 42 1.230 -3.610 5.860 1.00 0.00 C ATOM 366 C SER A 42 1.200 -2.400 4.900 1.00 0.00 C ATOM 367 O SER A 42 0.180 -1.930 4.420 1.00 0.00 O ATOM 368 CB SER A 42 -0.160 -3.970 6.400 1.00 0.00 C ATOM 369 OG SER A 42 -1.060 -4.310 5.340 1.00 0.00 O ATOM 0 H SER A 42 2.726 -4.184 7.206 1.00 0.00 H new ATOM 0 HA SER A 42 1.603 -4.440 5.260 1.00 0.00 H new ATOM 0 HB2 SER A 42 -0.077 -4.808 7.092 1.00 0.00 H new ATOM 0 HB3 SER A 42 -0.562 -3.129 6.965 1.00 0.00 H new ATOM 0 HG SER A 42 -1.050 -3.602 4.663 1.00 0.00 H new ATOM 372 N VAL A 43 2.400 -1.870 4.690 1.00 0.00 N ATOM 373 CA VAL A 43 2.620 -0.700 3.810 1.00 0.00 C ATOM 374 C VAL A 43 3.380 -1.110 2.540 1.00 0.00 C ATOM 375 O VAL A 43 3.510 -0.380 1.580 1.00 0.00 O ATOM 376 CB VAL A 43 3.310 0.430 4.600 1.00 0.00 C ATOM 377 CG1 VAL A 43 3.740 1.620 3.740 1.00 0.00 C ATOM 378 CG2 VAL A 43 2.370 1.010 5.660 1.00 0.00 C ATOM 0 H VAL A 43 3.253 -2.229 5.118 1.00 0.00 H new ATOM 0 HA VAL A 43 1.661 -0.308 3.472 1.00 0.00 H new ATOM 0 HB VAL A 43 4.190 -0.048 5.031 1.00 0.00 H new ATOM 0 HG11 VAL A 43 4.217 2.371 4.370 1.00 0.00 H new ATOM 0 HG12 VAL A 43 4.445 1.284 2.980 1.00 0.00 H new ATOM 0 HG13 VAL A 43 2.865 2.055 3.257 1.00 0.00 H new ATOM 0 HG21 VAL A 43 2.881 1.805 6.203 1.00 0.00 H new ATOM 0 HG22 VAL A 43 1.481 1.414 5.176 1.00 0.00 H new ATOM 0 HG23 VAL A 43 2.078 0.224 6.357 1.00 0.00 H new ATOM 380 N LEU A 44 3.880 -2.330 2.550 1.00 0.00 N ATOM 381 CA LEU A 44 4.690 -2.860 1.460 1.00 0.00 C ATOM 382 C LEU A 44 3.840 -3.830 0.620 1.00 0.00 C ATOM 383 O LEU A 44 2.930 -4.420 1.190 1.00 0.00 O ATOM 384 CB LEU A 44 5.880 -3.560 2.120 1.00 0.00 C ATOM 385 CG LEU A 44 6.980 -2.650 2.660 1.00 0.00 C ATOM 386 CD1 LEU A 44 7.530 -1.770 1.550 1.00 0.00 C ATOM 387 CD2 LEU A 44 6.520 -1.770 3.810 1.00 0.00 C ATOM 0 H LEU A 44 3.738 -2.988 3.316 1.00 0.00 H new ATOM 0 HA LEU A 44 5.044 -2.084 0.781 1.00 0.00 H new ATOM 0 HB2 LEU A 44 5.506 -4.171 2.942 1.00 0.00 H new ATOM 0 HB3 LEU A 44 6.324 -4.241 1.393 1.00 0.00 H new ATOM 0 HG LEU A 44 7.757 -3.310 3.045 1.00 0.00 H new ATOM 0 HD11 LEU A 44 8.314 -1.127 1.950 1.00 0.00 H new ATOM 0 HD12 LEU A 44 7.943 -2.397 0.760 1.00 0.00 H new ATOM 0 HD13 LEU A 44 6.728 -1.154 1.143 1.00 0.00 H new ATOM 0 HD21 LEU A 44 7.350 -1.148 4.147 1.00 0.00 H new ATOM 0 HD22 LEU A 44 5.701 -1.133 3.476 1.00 0.00 H new ATOM 0 HD23 LEU A 44 6.179 -2.397 4.634 1.00 0.00 H new ATOM 425 N TYR A 49 4.360 -14.670 3.880 1.00 0.00 N ATOM 426 CA TYR A 49 5.160 -14.590 5.100 1.00 0.00 C ATOM 427 C TYR A 49 6.600 -15.060 4.830 1.00 0.00 C ATOM 428 O TYR A 49 6.810 -16.110 4.240 1.00 0.00 O ATOM 429 CB TYR A 49 4.500 -15.430 6.200 1.00 0.00 C ATOM 430 CG TYR A 49 5.260 -15.510 7.530 1.00 0.00 C ATOM 431 CD1 TYR A 49 6.110 -14.470 7.950 1.00 0.00 C ATOM 432 CD2 TYR A 49 5.140 -16.690 8.290 1.00 0.00 C ATOM 433 CE1 TYR A 49 6.850 -14.580 9.130 1.00 0.00 C ATOM 434 CE2 TYR A 49 5.870 -16.820 9.490 1.00 0.00 C ATOM 435 CZ TYR A 49 6.720 -15.760 9.890 1.00 0.00 C ATOM 436 OH TYR A 49 7.420 -15.850 11.040 1.00 0.00 O ATOM 0 HA TYR A 49 5.208 -13.554 5.434 1.00 0.00 H new ATOM 0 HB2 TYR A 49 3.508 -15.023 6.395 1.00 0.00 H new ATOM 0 HB3 TYR A 49 4.360 -16.443 5.822 1.00 0.00 H new ATOM 0 HD1 TYR A 49 6.191 -13.574 7.352 1.00 0.00 H new ATOM 0 HD2 TYR A 49 4.494 -17.489 7.957 1.00 0.00 H new ATOM 0 HE1 TYR A 49 7.504 -13.783 9.451 1.00 0.00 H new ATOM 0 HE2 TYR A 49 5.782 -17.712 10.093 1.00 0.00 H new ATOM 0 HH TYR A 49 7.239 -16.714 11.466 1.00 0.00 H new ATOM 439 N GLY A 50 7.530 -14.220 5.250 1.00 0.00 N ATOM 440 CA GLY A 50 8.980 -14.480 5.110 1.00 0.00 C ATOM 441 C GLY A 50 9.550 -13.950 3.790 1.00 0.00 C ATOM 442 O GLY A 50 10.750 -14.010 3.560 1.00 0.00 O ATOM 0 H GLY A 50 7.315 -13.331 5.701 1.00 0.00 H new ATOM 0 HA2 GLY A 50 9.510 -14.017 5.942 1.00 0.00 H new ATOM 0 HA3 GLY A 50 9.161 -15.553 5.174 1.00 0.00 H new ATOM 444 N TYR A 51 8.690 -13.240 3.050 1.00 0.00 N ATOM 445 CA TYR A 51 9.040 -12.640 1.750 1.00 0.00 C ATOM 446 C TYR A 51 9.720 -11.270 1.880 1.00 0.00 C ATOM 447 O TYR A 51 9.830 -10.540 0.910 1.00 0.00 O ATOM 448 CB TYR A 51 7.730 -12.520 0.960 1.00 0.00 C ATOM 449 CG TYR A 51 7.880 -13.090 -0.450 1.00 0.00 C ATOM 450 CD1 TYR A 51 7.920 -14.500 -0.600 1.00 0.00 C ATOM 451 CD2 TYR A 51 7.960 -12.220 -1.550 1.00 0.00 C ATOM 452 CE1 TYR A 51 8.040 -15.040 -1.890 1.00 0.00 C ATOM 453 CE2 TYR A 51 8.080 -12.770 -2.850 1.00 0.00 C ATOM 454 CZ TYR A 51 8.130 -14.170 -2.990 1.00 0.00 C ATOM 455 OH TYR A 51 8.420 -14.700 -4.210 1.00 0.00 O ATOM 0 H TYR A 51 7.727 -13.063 3.334 1.00 0.00 H new ATOM 0 HA TYR A 51 9.768 -13.273 1.243 1.00 0.00 H new ATOM 0 HB2 TYR A 51 6.935 -13.049 1.486 1.00 0.00 H new ATOM 0 HB3 TYR A 51 7.432 -11.473 0.902 1.00 0.00 H new ATOM 0 HD1 TYR A 51 7.859 -15.146 0.263 1.00 0.00 H new ATOM 0 HD2 TYR A 51 7.931 -11.150 -1.407 1.00 0.00 H new ATOM 0 HE1 TYR A 51 8.063 -16.110 -2.035 1.00 0.00 H new ATOM 0 HE2 TYR A 51 8.132 -12.128 -3.717 1.00 0.00 H new ATOM 0 HH TYR A 51 8.450 -13.984 -4.879 1.00 0.00 H new ATOM 458 N TYR A 52 10.180 -10.970 3.100 1.00 0.00 N ATOM 459 CA TYR A 52 10.740 -9.670 3.470 1.00 0.00 C ATOM 460 C TYR A 52 11.760 -9.860 4.580 1.00 0.00 C ATOM 461 O TYR A 52 11.550 -10.680 5.470 1.00 0.00 O ATOM 462 CB TYR A 52 9.650 -8.780 4.050 1.00 0.00 C ATOM 463 CG TYR A 52 8.760 -8.020 3.090 1.00 0.00 C ATOM 464 CD1 TYR A 52 7.930 -8.720 2.190 1.00 0.00 C ATOM 465 CD2 TYR A 52 8.920 -6.640 3.050 1.00 0.00 C ATOM 466 CE1 TYR A 52 7.320 -8.000 1.150 1.00 0.00 C ATOM 467 CE2 TYR A 52 8.250 -5.920 2.040 1.00 0.00 C ATOM 468 CZ TYR A 52 7.460 -6.600 1.100 1.00 0.00 C ATOM 469 OH TYR A 52 6.560 -5.880 0.390 1.00 0.00 O ATOM 0 H TYR A 52 10.172 -11.638 3.871 1.00 0.00 H new ATOM 0 HA TYR A 52 11.184 -9.225 2.579 1.00 0.00 H new ATOM 0 HB2 TYR A 52 9.010 -9.402 4.675 1.00 0.00 H new ATOM 0 HB3 TYR A 52 10.128 -8.053 4.707 1.00 0.00 H new ATOM 0 HD1 TYR A 52 7.768 -9.782 2.298 1.00 0.00 H new ATOM 0 HD2 TYR A 52 9.541 -6.133 3.773 1.00 0.00 H new ATOM 0 HE1 TYR A 52 6.748 -8.517 0.394 1.00 0.00 H new ATOM 0 HE2 TYR A 52 8.345 -4.845 1.990 1.00 0.00 H new ATOM 0 HH TYR A 52 7.002 -5.478 -0.387 1.00 0.00 H new ATOM 472 N HIS A 53 12.720 -8.950 4.570 1.00 0.00 N ATOM 473 CA HIS A 53 13.800 -8.920 5.560 1.00 0.00 C ATOM 474 C HIS A 53 14.250 -7.490 5.860 1.00 0.00 C ATOM 475 O HIS A 53 14.030 -6.580 5.060 1.00 0.00 O ATOM 476 CB HIS A 53 14.980 -9.770 5.080 1.00 0.00 C ATOM 477 CG HIS A 53 14.670 -11.240 4.830 1.00 0.00 C ATOM 478 ND1 HIS A 53 14.240 -11.750 3.680 1.00 0.00 N ATOM 479 CD2 HIS A 53 14.740 -12.230 5.720 1.00 0.00 C ATOM 480 CE1 HIS A 53 14.030 -13.050 3.850 1.00 0.00 C ATOM 481 NE2 HIS A 53 14.350 -13.340 5.110 1.00 0.00 N ATOM 0 H HIS A 53 12.778 -8.206 3.875 1.00 0.00 H new ATOM 0 HA HIS A 53 13.416 -9.342 6.489 1.00 0.00 H new ATOM 0 HB2 HIS A 53 15.366 -9.336 4.158 1.00 0.00 H new ATOM 0 HB3 HIS A 53 15.777 -9.706 5.821 1.00 0.00 H new ATOM 0 HD2 HIS A 53 15.056 -12.143 6.749 1.00 0.00 H new ATOM 0 HE1 HIS A 53 13.667 -13.743 3.105 1.00 0.00 H new ATOM 0 HE2 HIS A 53 14.303 -14.266 5.536 1.00 0.00 H new ATOM 485 N GLU A 54 14.820 -7.310 7.050 1.00 0.00 N ATOM 486 CA GLU A 54 15.310 -5.990 7.490 1.00 0.00 C ATOM 487 C GLU A 54 16.830 -5.960 7.520 1.00 0.00 C ATOM 488 O GLU A 54 17.460 -6.940 7.940 1.00 0.00 O ATOM 489 CB GLU A 54 14.890 -5.660 8.920 1.00 0.00 C ATOM 490 CG GLU A 54 13.390 -5.440 9.000 1.00 0.00 C ATOM 491 CD GLU A 54 12.820 -5.920 10.320 1.00 0.00 C ATOM 492 OE1 GLU A 54 13.560 -6.420 11.200 1.00 0.00 O ATOM 493 OE2 GLU A 54 11.580 -5.870 10.400 1.00 0.00 O ATOM 0 H GLU A 54 14.957 -8.056 7.732 1.00 0.00 H new ATOM 0 HA GLU A 54 14.887 -5.279 6.780 1.00 0.00 H new ATOM 0 HB2 GLU A 54 15.180 -6.473 9.586 1.00 0.00 H new ATOM 0 HB3 GLU A 54 15.413 -4.766 9.261 1.00 0.00 H new ATOM 0 HG2 GLU A 54 13.171 -4.380 8.874 1.00 0.00 H new ATOM 0 HG3 GLU A 54 12.901 -5.966 8.180 1.00 0.00 H new ATOM 495 N TYR A 55 17.330 -4.780 7.180 1.00 0.00 N ATOM 496 CA TYR A 55 18.770 -4.540 7.030 1.00 0.00 C ATOM 497 C TYR A 55 19.080 -3.050 7.130 1.00 0.00 C ATOM 498 O TYR A 55 19.450 -2.390 6.160 1.00 0.00 O ATOM 499 CB TYR A 55 19.210 -5.070 5.650 1.00 0.00 C ATOM 500 CG TYR A 55 18.960 -6.550 5.430 1.00 0.00 C ATOM 501 CD1 TYR A 55 19.730 -7.470 6.150 1.00 0.00 C ATOM 502 CD2 TYR A 55 17.970 -6.970 4.510 1.00 0.00 C ATOM 503 CE1 TYR A 55 19.540 -8.850 5.960 1.00 0.00 C ATOM 504 CE2 TYR A 55 17.810 -8.360 4.300 1.00 0.00 C ATOM 505 CZ TYR A 55 18.590 -9.280 5.030 1.00 0.00 C ATOM 506 OH TYR A 55 18.400 -10.610 4.840 1.00 0.00 O ATOM 0 H TYR A 55 16.754 -3.958 6.999 1.00 0.00 H new ATOM 0 HA TYR A 55 19.309 -5.054 7.826 1.00 0.00 H new ATOM 0 HB2 TYR A 55 18.687 -4.508 4.876 1.00 0.00 H new ATOM 0 HB3 TYR A 55 20.274 -4.872 5.523 1.00 0.00 H new ATOM 0 HD1 TYR A 55 20.471 -7.120 6.853 1.00 0.00 H new ATOM 0 HD2 TYR A 55 17.356 -6.253 3.985 1.00 0.00 H new ATOM 0 HE1 TYR A 55 20.119 -9.566 6.524 1.00 0.00 H new ATOM 0 HE2 TYR A 55 17.089 -8.717 3.579 1.00 0.00 H new ATOM 0 HH TYR A 55 17.706 -10.748 4.162 1.00 0.00 H new ATOM 509 N THR A 56 18.900 -2.490 8.330 1.00 0.00 N ATOM 510 CA THR A 56 19.190 -1.060 8.570 1.00 0.00 C ATOM 511 C THR A 56 20.470 -0.620 7.880 1.00 0.00 C ATOM 512 O THR A 56 21.520 -1.270 7.940 1.00 0.00 O ATOM 513 CB THR A 56 19.240 -0.730 10.070 1.00 0.00 C ATOM 514 OG1 THR A 56 17.970 -0.250 10.470 1.00 0.00 O ATOM 515 CG2 THR A 56 20.330 0.220 10.600 1.00 0.00 C ATOM 0 H THR A 56 18.558 -2.994 9.148 1.00 0.00 H new ATOM 0 HA THR A 56 18.365 -0.498 8.133 1.00 0.00 H new ATOM 0 HB THR A 56 19.525 -1.682 10.519 1.00 0.00 H new ATOM 0 HG1 THR A 56 17.840 0.658 10.125 1.00 0.00 H new ATOM 0 HG21 THR A 56 20.216 0.340 11.677 1.00 0.00 H new ATOM 0 HG22 THR A 56 21.313 -0.198 10.384 1.00 0.00 H new ATOM 0 HG23 THR A 56 20.234 1.191 10.114 1.00 0.00 H new ATOM 518 N VAL A 57 20.320 0.520 7.240 1.00 0.00 N ATOM 519 CA VAL A 57 21.460 1.110 6.550 1.00 0.00 C ATOM 520 C VAL A 57 22.100 2.140 7.490 1.00 0.00 C ATOM 521 O VAL A 57 21.390 3.000 8.010 1.00 0.00 O ATOM 522 CB VAL A 57 20.960 1.600 5.200 1.00 0.00 C ATOM 523 CG1 VAL A 57 20.590 3.080 5.050 1.00 0.00 C ATOM 524 CG2 VAL A 57 22.080 1.260 4.240 1.00 0.00 C ATOM 0 H VAL A 57 19.450 1.048 7.179 1.00 0.00 H new ATOM 0 HA VAL A 57 22.272 0.421 6.318 1.00 0.00 H new ATOM 0 HB VAL A 57 20.001 1.115 5.019 1.00 0.00 H new ATOM 0 HG11 VAL A 57 20.252 3.269 4.031 1.00 0.00 H new ATOM 0 HG12 VAL A 57 19.791 3.328 5.749 1.00 0.00 H new ATOM 0 HG13 VAL A 57 21.463 3.697 5.263 1.00 0.00 H new ATOM 0 HG21 VAL A 57 21.806 1.579 3.234 1.00 0.00 H new ATOM 0 HG22 VAL A 57 22.991 1.773 4.548 1.00 0.00 H new ATOM 0 HG23 VAL A 57 22.250 0.183 4.246 1.00 0.00 H new ATOM 526 N ILE A 58 23.370 1.910 7.840 1.00 0.00 N ATOM 527 CA ILE A 58 24.160 2.900 8.620 1.00 0.00 C ATOM 528 C ILE A 58 23.850 4.320 8.090 1.00 0.00 C ATOM 529 O ILE A 58 23.670 4.540 6.900 1.00 0.00 O ATOM 530 CB ILE A 58 25.670 2.580 8.600 1.00 0.00 C ATOM 531 CG1 ILE A 58 26.120 1.850 9.850 1.00 0.00 C ATOM 532 CG2 ILE A 58 26.660 3.720 8.260 1.00 0.00 C ATOM 533 CD1 ILE A 58 26.950 0.630 9.460 1.00 0.00 C ATOM 0 H ILE A 58 23.879 1.058 7.604 1.00 0.00 H new ATOM 0 HA ILE A 58 23.866 2.846 9.668 1.00 0.00 H new ATOM 0 HB ILE A 58 25.729 1.928 7.729 1.00 0.00 H new ATOM 0 HG12 ILE A 58 26.709 2.516 10.480 1.00 0.00 H new ATOM 0 HG13 ILE A 58 25.254 1.541 10.435 1.00 0.00 H new ATOM 0 HG21 ILE A 58 27.680 3.336 8.287 1.00 0.00 H new ATOM 0 HG22 ILE A 58 26.443 4.105 7.263 1.00 0.00 H new ATOM 0 HG23 ILE A 58 26.555 4.523 8.990 1.00 0.00 H new ATOM 0 HD11 ILE A 58 27.273 0.107 10.360 1.00 0.00 H new ATOM 0 HD12 ILE A 58 26.347 -0.040 8.847 1.00 0.00 H new ATOM 0 HD13 ILE A 58 27.824 0.951 8.894 1.00 0.00 H new ATOM 535 N THR A 59 24.030 5.260 9.000 1.00 0.00 N ATOM 536 CA THR A 59 23.810 6.670 8.690 1.00 0.00 C ATOM 537 C THR A 59 24.880 7.570 9.340 1.00 0.00 C ATOM 538 O THR A 59 25.370 7.250 10.420 1.00 0.00 O ATOM 539 CB THR A 59 22.340 7.000 9.030 1.00 0.00 C ATOM 540 OG1 THR A 59 21.610 6.350 8.000 1.00 0.00 O ATOM 541 CG2 THR A 59 21.980 8.490 9.030 1.00 0.00 C ATOM 0 H THR A 59 24.327 5.078 9.959 1.00 0.00 H new ATOM 0 HA THR A 59 23.943 6.879 7.629 1.00 0.00 H new ATOM 0 HB THR A 59 22.122 6.676 10.048 1.00 0.00 H new ATOM 0 HG1 THR A 59 21.392 5.437 8.280 1.00 0.00 H new ATOM 0 HG21 THR A 59 20.926 8.610 9.281 1.00 0.00 H new ATOM 0 HG22 THR A 59 22.590 9.012 9.768 1.00 0.00 H new ATOM 0 HG23 THR A 59 22.168 8.910 8.042 1.00 0.00 H new ATOM 544 N PRO A 60 25.340 8.590 8.600 1.00 0.00 N ATOM 545 CA PRO A 60 26.310 9.560 9.130 1.00 0.00 C ATOM 546 C PRO A 60 25.660 10.470 10.180 1.00 0.00 C ATOM 547 O PRO A 60 24.450 10.690 10.140 1.00 0.00 O ATOM 548 CB PRO A 60 26.790 10.350 7.910 1.00 0.00 C ATOM 549 CG PRO A 60 25.600 10.290 6.950 1.00 0.00 C ATOM 550 CD PRO A 60 25.000 8.910 7.200 1.00 0.00 C ATOM 0 HA PRO A 60 27.141 9.074 9.641 1.00 0.00 H new ATOM 0 HB2 PRO A 60 27.042 11.378 8.172 1.00 0.00 H new ATOM 0 HB3 PRO A 60 27.683 9.905 7.470 1.00 0.00 H new ATOM 0 HG2 PRO A 60 24.880 11.082 7.155 1.00 0.00 H new ATOM 0 HG3 PRO A 60 25.916 10.407 5.913 1.00 0.00 H new ATOM 0 HD2 PRO A 60 23.921 8.916 7.048 1.00 0.00 H new ATOM 0 HD3 PRO A 60 25.414 8.170 6.515 1.00 0.00 H new ATOM 551 N GLY A 61 26.470 10.820 11.170 1.00 0.00 N ATOM 552 CA GLY A 61 26.040 11.590 12.350 1.00 0.00 C ATOM 553 C GLY A 61 24.800 10.960 13.030 1.00 0.00 C ATOM 554 O GLY A 61 23.990 11.650 13.630 1.00 0.00 O ATOM 0 H GLY A 61 27.461 10.578 11.185 1.00 0.00 H new ATOM 0 HA2 GLY A 61 26.859 11.643 13.067 1.00 0.00 H new ATOM 0 HA3 GLY A 61 25.810 12.613 12.052 1.00 0.00 H new ATOM 556 N ALA A 62 24.660 9.650 12.900 1.00 0.00 N ATOM 557 CA ALA A 62 23.520 8.940 13.490 1.00 0.00 C ATOM 558 C ALA A 62 24.030 8.340 14.790 1.00 0.00 C ATOM 559 O ALA A 62 24.690 7.300 14.800 1.00 0.00 O ATOM 560 CB ALA A 62 23.000 7.860 12.530 1.00 0.00 C ATOM 0 H ALA A 62 25.315 9.053 12.395 1.00 0.00 H new ATOM 0 HA ALA A 62 22.679 9.607 13.677 1.00 0.00 H new ATOM 0 HB1 ALA A 62 22.155 7.345 12.986 1.00 0.00 H new ATOM 0 HB2 ALA A 62 22.681 8.325 11.597 1.00 0.00 H new ATOM 0 HB3 ALA A 62 23.794 7.143 12.325 1.00 0.00 H new ATOM 562 N ARG A 63 23.880 9.140 15.840 1.00 0.00 N ATOM 563 CA ARG A 63 24.240 8.730 17.210 1.00 0.00 C ATOM 564 C ARG A 63 23.720 7.330 17.580 1.00 0.00 C ATOM 565 O ARG A 63 24.280 6.630 18.430 1.00 0.00 O ATOM 566 CB ARG A 63 23.700 9.720 18.240 1.00 0.00 C ATOM 567 CG ARG A 63 24.620 10.940 18.370 1.00 0.00 C ATOM 568 CD ARG A 63 23.890 12.250 18.100 1.00 0.00 C ATOM 569 NE ARG A 63 24.130 12.720 16.720 1.00 0.00 N ATOM 570 CZ ARG A 63 23.470 13.700 16.100 1.00 0.00 C ATOM 571 NH1 ARG A 63 22.400 14.270 16.640 1.00 0.00 N ATOM 572 NH2 ARG A 63 23.820 14.090 14.890 1.00 0.00 N ATOM 0 H ARG A 63 23.508 10.088 15.776 1.00 0.00 H new ATOM 0 HA ARG A 63 25.330 8.711 17.226 1.00 0.00 H new ATOM 0 HB2 ARG A 63 22.701 10.044 17.948 1.00 0.00 H new ATOM 0 HB3 ARG A 63 23.606 9.227 19.208 1.00 0.00 H new ATOM 0 HG2 ARG A 63 25.046 10.965 19.373 1.00 0.00 H new ATOM 0 HG3 ARG A 63 25.452 10.840 17.673 1.00 0.00 H new ATOM 0 HD2 ARG A 63 22.820 12.113 18.260 1.00 0.00 H new ATOM 0 HD3 ARG A 63 24.224 13.008 18.809 1.00 0.00 H new ATOM 0 HE ARG A 63 24.868 12.253 16.193 1.00 0.00 H new ATOM 0 HH11 ARG A 63 22.063 13.961 17.552 1.00 0.00 H new ATOM 0 HH12 ARG A 63 21.915 15.017 16.143 1.00 0.00 H new ATOM 0 HH21 ARG A 63 24.604 13.641 14.416 1.00 0.00 H new ATOM 0 HH22 ARG A 63 23.307 14.840 14.428 1.00 0.00 H new ATOM 579 N THR A 64 22.620 6.970 16.930 1.00 0.00 N ATOM 580 CA THR A 64 21.950 5.670 17.080 1.00 0.00 C ATOM 581 C THR A 64 21.790 5.030 15.690 1.00 0.00 C ATOM 582 O THR A 64 22.230 5.590 14.690 1.00 0.00 O ATOM 583 CB THR A 64 20.600 5.930 17.760 1.00 0.00 C ATOM 584 OG1 THR A 64 19.840 6.870 16.980 1.00 0.00 O ATOM 585 CG2 THR A 64 20.790 6.450 19.190 1.00 0.00 C ATOM 0 H THR A 64 22.152 7.585 16.265 1.00 0.00 H new ATOM 0 HA THR A 64 22.525 4.975 17.692 1.00 0.00 H new ATOM 0 HB THR A 64 20.055 4.988 17.821 1.00 0.00 H new ATOM 0 HG1 THR A 64 18.977 7.034 17.415 1.00 0.00 H new ATOM 0 HG21 THR A 64 19.816 6.625 19.646 1.00 0.00 H new ATOM 0 HG22 THR A 64 21.337 5.712 19.776 1.00 0.00 H new ATOM 0 HG23 THR A 64 21.352 7.384 19.166 1.00 0.00 H new ATOM 588 N ARG A 65 21.080 3.900 15.640 1.00 0.00 N ATOM 589 CA ARG A 65 20.750 3.220 14.360 1.00 0.00 C ATOM 590 C ARG A 65 20.080 4.130 13.320 1.00 0.00 C ATOM 591 O ARG A 65 20.110 3.860 12.120 1.00 0.00 O ATOM 592 CB ARG A 65 19.850 2.020 14.620 1.00 0.00 C ATOM 593 CG ARG A 65 20.670 0.820 15.090 1.00 0.00 C ATOM 594 CD ARG A 65 19.790 -0.390 15.400 1.00 0.00 C ATOM 595 NE ARG A 65 19.240 -0.380 16.760 1.00 0.00 N ATOM 596 CZ ARG A 65 18.160 0.260 17.190 1.00 0.00 C ATOM 597 NH1 ARG A 65 17.360 0.970 16.400 1.00 0.00 N ATOM 598 NH2 ARG A 65 17.850 0.160 18.470 1.00 0.00 N ATOM 0 H ARG A 65 20.716 3.426 16.467 1.00 0.00 H new ATOM 0 HA ARG A 65 21.706 2.909 13.939 1.00 0.00 H new ATOM 0 HB2 ARG A 65 19.105 2.275 15.374 1.00 0.00 H new ATOM 0 HB3 ARG A 65 19.308 1.762 13.710 1.00 0.00 H new ATOM 0 HG2 ARG A 65 21.395 0.553 14.321 1.00 0.00 H new ATOM 0 HG3 ARG A 65 21.236 1.094 15.980 1.00 0.00 H new ATOM 0 HD2 ARG A 65 18.968 -0.425 14.685 1.00 0.00 H new ATOM 0 HD3 ARG A 65 20.374 -1.300 15.259 1.00 0.00 H new ATOM 0 HE ARG A 65 19.746 -0.928 17.455 1.00 0.00 H new ATOM 0 HH11 ARG A 65 17.563 1.045 15.403 1.00 0.00 H new ATOM 0 HH12 ARG A 65 16.543 1.440 16.791 1.00 0.00 H new ATOM 0 HH21 ARG A 65 18.434 -0.396 19.094 1.00 0.00 H new ATOM 0 HH22 ARG A 65 17.026 0.639 18.834 1.00 0.00 H new ATOM 605 N GLY A 66 19.510 5.220 13.840 1.00 0.00 N ATOM 606 CA GLY A 66 18.810 6.230 13.050 1.00 0.00 C ATOM 607 C GLY A 66 17.490 5.650 12.550 1.00 0.00 C ATOM 608 O GLY A 66 17.180 4.470 12.630 1.00 0.00 O ATOM 0 H GLY A 66 19.523 5.427 14.839 1.00 0.00 H new ATOM 0 HA2 GLY A 66 18.625 7.118 13.655 1.00 0.00 H new ATOM 0 HA3 GLY A 66 19.427 6.541 12.207 1.00 0.00 H new ATOM 610 N THR A 67 16.740 6.580 11.990 1.00 0.00 N ATOM 611 CA THR A 67 15.450 6.290 11.350 1.00 0.00 C ATOM 612 C THR A 67 15.600 5.630 9.960 1.00 0.00 C ATOM 613 O THR A 67 14.640 5.220 9.310 1.00 0.00 O ATOM 614 CB THR A 67 14.670 7.600 11.320 1.00 0.00 C ATOM 615 OG1 THR A 67 15.470 8.600 10.690 1.00 0.00 O ATOM 616 CG2 THR A 67 14.240 8.070 12.710 1.00 0.00 C ATOM 0 H THR A 67 17.001 7.566 11.961 1.00 0.00 H new ATOM 0 HA THR A 67 14.900 5.543 11.923 1.00 0.00 H new ATOM 0 HB THR A 67 13.754 7.427 10.755 1.00 0.00 H new ATOM 0 HG1 THR A 67 15.157 8.738 9.772 1.00 0.00 H new ATOM 0 HG21 THR A 67 13.689 9.007 12.623 1.00 0.00 H new ATOM 0 HG22 THR A 67 13.601 7.315 13.168 1.00 0.00 H new ATOM 0 HG23 THR A 67 15.122 8.224 13.331 1.00 0.00 H new ATOM 619 N ARG A 68 16.850 5.420 9.580 1.00 0.00 N ATOM 620 CA ARG A 68 17.230 4.740 8.330 1.00 0.00 C ATOM 621 C ARG A 68 17.180 3.220 8.490 1.00 0.00 C ATOM 622 O ARG A 68 17.890 2.610 9.280 1.00 0.00 O ATOM 623 CB ARG A 68 18.630 5.160 7.930 1.00 0.00 C ATOM 624 CG ARG A 68 18.530 5.720 6.510 1.00 0.00 C ATOM 625 CD ARG A 68 19.260 7.050 6.330 1.00 0.00 C ATOM 626 NE ARG A 68 18.760 8.030 7.320 1.00 0.00 N ATOM 627 CZ ARG A 68 17.620 8.700 7.250 1.00 0.00 C ATOM 628 NH1 ARG A 68 16.890 8.710 6.140 1.00 0.00 N ATOM 629 NH2 ARG A 68 17.230 9.460 8.260 1.00 0.00 N ATOM 0 H ARG A 68 17.652 5.719 10.135 1.00 0.00 H new ATOM 0 HA ARG A 68 16.519 5.027 7.555 1.00 0.00 H new ATOM 0 HB2 ARG A 68 19.020 5.912 8.616 1.00 0.00 H new ATOM 0 HB3 ARG A 68 19.314 4.312 7.965 1.00 0.00 H new ATOM 0 HG2 ARG A 68 18.940 4.991 5.810 1.00 0.00 H new ATOM 0 HG3 ARG A 68 17.479 5.853 6.253 1.00 0.00 H new ATOM 0 HD2 ARG A 68 20.333 6.907 6.455 1.00 0.00 H new ATOM 0 HD3 ARG A 68 19.105 7.428 5.319 1.00 0.00 H new ATOM 0 HE ARG A 68 19.350 8.206 8.134 1.00 0.00 H new ATOM 0 HH11 ARG A 68 17.204 8.194 5.318 1.00 0.00 H new ATOM 0 HH12 ARG A 68 16.015 9.233 6.110 1.00 0.00 H new ATOM 0 HH21 ARG A 68 17.808 9.532 9.097 1.00 0.00 H new ATOM 0 HH22 ARG A 68 16.351 9.974 8.202 1.00 0.00 H new ATOM 636 N ARG A 69 16.280 2.650 7.700 1.00 0.00 N ATOM 637 CA ARG A 69 16.060 1.200 7.640 1.00 0.00 C ATOM 638 C ARG A 69 15.770 0.790 6.190 1.00 0.00 C ATOM 639 O ARG A 69 15.030 1.460 5.470 1.00 0.00 O ATOM 640 CB ARG A 69 14.900 0.850 8.590 1.00 0.00 C ATOM 641 CG ARG A 69 14.500 -0.620 8.620 1.00 0.00 C ATOM 642 CD ARG A 69 15.200 -1.460 9.690 1.00 0.00 C ATOM 643 NE ARG A 69 14.180 -2.280 10.350 1.00 0.00 N ATOM 644 CZ ARG A 69 14.080 -2.530 11.660 1.00 0.00 C ATOM 645 NH1 ARG A 69 14.890 -1.970 12.540 1.00 0.00 N ATOM 646 NH2 ARG A 69 13.100 -3.280 12.130 1.00 0.00 N ATOM 0 H ARG A 69 15.673 3.181 7.075 1.00 0.00 H new ATOM 0 HA ARG A 69 16.944 0.649 7.960 1.00 0.00 H new ATOM 0 HB2 ARG A 69 15.175 1.155 9.600 1.00 0.00 H new ATOM 0 HB3 ARG A 69 14.029 1.440 8.305 1.00 0.00 H new ATOM 0 HG2 ARG A 69 13.423 -0.685 8.776 1.00 0.00 H new ATOM 0 HG3 ARG A 69 14.707 -1.057 7.643 1.00 0.00 H new ATOM 0 HD2 ARG A 69 15.966 -2.091 9.240 1.00 0.00 H new ATOM 0 HD3 ARG A 69 15.701 -0.817 10.414 1.00 0.00 H new ATOM 0 HE ARG A 69 13.474 -2.704 9.748 1.00 0.00 H new ATOM 0 HH11 ARG A 69 15.617 -1.327 12.227 1.00 0.00 H new ATOM 0 HH12 ARG A 69 14.789 -2.181 13.533 1.00 0.00 H new ATOM 0 HH21 ARG A 69 12.409 -3.675 11.492 1.00 0.00 H new ATOM 0 HH22 ARG A 69 13.034 -3.464 13.131 1.00 0.00 H new ATOM 653 N ILE A 70 16.420 -0.300 5.810 1.00 0.00 N ATOM 654 CA ILE A 70 16.190 -0.960 4.510 1.00 0.00 C ATOM 655 C ILE A 70 15.370 -2.220 4.740 1.00 0.00 C ATOM 656 O ILE A 70 15.580 -2.960 5.710 1.00 0.00 O ATOM 657 CB ILE A 70 17.530 -1.230 3.780 1.00 0.00 C ATOM 658 CG1 ILE A 70 17.910 0.060 3.040 1.00 0.00 C ATOM 659 CG2 ILE A 70 17.510 -2.450 2.840 1.00 0.00 C ATOM 660 CD1 ILE A 70 19.260 0.060 2.310 1.00 0.00 C ATOM 0 H ILE A 70 17.124 -0.761 6.386 1.00 0.00 H new ATOM 0 HA ILE A 70 15.623 -0.305 3.849 1.00 0.00 H new ATOM 0 HB ILE A 70 18.283 -1.496 4.522 1.00 0.00 H new ATOM 0 HG12 ILE A 70 17.129 0.278 2.312 1.00 0.00 H new ATOM 0 HG13 ILE A 70 17.912 0.878 3.760 1.00 0.00 H new ATOM 0 HG21 ILE A 70 18.488 -2.564 2.372 1.00 0.00 H new ATOM 0 HG22 ILE A 70 17.275 -3.347 3.413 1.00 0.00 H new ATOM 0 HG23 ILE A 70 16.753 -2.303 2.069 1.00 0.00 H new ATOM 0 HD11 ILE A 70 19.413 1.025 1.827 1.00 0.00 H new ATOM 0 HD12 ILE A 70 20.061 -0.118 3.027 1.00 0.00 H new ATOM 0 HD13 ILE A 70 19.266 -0.727 1.556 1.00 0.00 H new ATOM 662 N ILE A 71 14.520 -2.460 3.750 1.00 0.00 N ATOM 663 CA ILE A 71 13.630 -3.630 3.760 1.00 0.00 C ATOM 664 C ILE A 71 13.720 -4.300 2.390 1.00 0.00 C ATOM 665 O ILE A 71 13.410 -3.700 1.380 1.00 0.00 O ATOM 666 CB ILE A 71 12.180 -3.220 4.060 1.00 0.00 C ATOM 667 CG1 ILE A 71 12.010 -2.220 5.220 1.00 0.00 C ATOM 668 CG2 ILE A 71 11.360 -4.500 4.280 1.00 0.00 C ATOM 669 CD1 ILE A 71 12.490 -2.690 6.600 1.00 0.00 C ATOM 0 H ILE A 71 14.423 -1.865 2.927 1.00 0.00 H new ATOM 0 HA ILE A 71 13.939 -4.321 4.544 1.00 0.00 H new ATOM 0 HB ILE A 71 11.811 -2.665 3.198 1.00 0.00 H new ATOM 0 HG12 ILE A 71 12.546 -1.306 4.965 1.00 0.00 H new ATOM 0 HG13 ILE A 71 10.954 -1.960 5.295 1.00 0.00 H new ATOM 0 HG21 ILE A 71 10.325 -4.236 4.495 1.00 0.00 H new ATOM 0 HG22 ILE A 71 11.398 -5.116 3.381 1.00 0.00 H new ATOM 0 HG23 ILE A 71 11.774 -5.058 5.120 1.00 0.00 H new ATOM 0 HD11 ILE A 71 12.318 -1.902 7.333 1.00 0.00 H new ATOM 0 HD12 ILE A 71 11.938 -3.584 6.892 1.00 0.00 H new ATOM 0 HD13 ILE A 71 13.555 -2.919 6.556 1.00 0.00 H new ATOM 671 N THR A 72 14.240 -5.510 2.380 1.00 0.00 N ATOM 672 CA THR A 72 14.360 -6.300 1.140 1.00 0.00 C ATOM 673 C THR A 72 13.240 -7.320 1.010 1.00 0.00 C ATOM 674 O THR A 72 12.540 -7.600 1.990 1.00 0.00 O ATOM 675 CB THR A 72 15.720 -6.990 1.080 1.00 0.00 C ATOM 676 OG1 THR A 72 15.920 -7.610 2.350 1.00 0.00 O ATOM 677 CG2 THR A 72 16.810 -5.980 0.740 1.00 0.00 C ATOM 0 H THR A 72 14.592 -5.982 3.213 1.00 0.00 H new ATOM 0 HA THR A 72 14.274 -5.611 0.300 1.00 0.00 H new ATOM 0 HB THR A 72 15.760 -7.746 0.296 1.00 0.00 H new ATOM 0 HG1 THR A 72 16.786 -7.334 2.716 1.00 0.00 H new ATOM 0 HG21 THR A 72 17.775 -6.485 0.700 1.00 0.00 H new ATOM 0 HG22 THR A 72 16.597 -5.527 -0.229 1.00 0.00 H new ATOM 0 HG23 THR A 72 16.838 -5.204 1.505 1.00 0.00 H new ATOM 680 N GLY A 73 13.070 -7.810 -0.210 1.00 0.00 N ATOM 681 CA GLY A 73 12.050 -8.820 -0.560 1.00 0.00 C ATOM 682 C GLY A 73 12.720 -10.170 -0.820 1.00 0.00 C ATOM 683 O GLY A 73 13.940 -10.300 -0.820 1.00 0.00 O ATOM 0 H GLY A 73 13.640 -7.520 -1.005 1.00 0.00 H new ATOM 0 HA2 GLY A 73 11.326 -8.914 0.249 1.00 0.00 H new ATOM 0 HA3 GLY A 73 11.499 -8.501 -1.445 1.00 0.00 H new ATOM 685 N GLU A 74 11.880 -11.140 -1.180 1.00 0.00 N ATOM 686 CA GLU A 74 12.380 -12.480 -1.580 1.00 0.00 C ATOM 687 C GLU A 74 12.940 -12.510 -3.010 1.00 0.00 C ATOM 688 O GLU A 74 13.550 -13.490 -3.440 1.00 0.00 O ATOM 689 CB GLU A 74 11.250 -13.500 -1.450 1.00 0.00 C ATOM 690 CG GLU A 74 11.730 -14.950 -1.390 1.00 0.00 C ATOM 691 CD GLU A 74 11.440 -15.540 -0.010 1.00 0.00 C ATOM 692 OE1 GLU A 74 12.050 -15.040 0.960 1.00 0.00 O ATOM 693 OE2 GLU A 74 10.560 -16.430 0.050 1.00 0.00 O ATOM 0 H GLU A 74 10.865 -11.039 -1.207 1.00 0.00 H new ATOM 0 HA GLU A 74 13.205 -12.729 -0.912 1.00 0.00 H new ATOM 0 HB2 GLU A 74 10.676 -13.280 -0.550 1.00 0.00 H new ATOM 0 HB3 GLU A 74 10.572 -13.386 -2.296 1.00 0.00 H new ATOM 0 HG2 GLU A 74 11.230 -15.539 -2.159 1.00 0.00 H new ATOM 0 HG3 GLU A 74 12.799 -14.997 -1.597 1.00 0.00 H new ATOM 695 N ALA A 75 12.650 -11.450 -3.750 1.00 0.00 N ATOM 696 CA ALA A 75 13.160 -11.260 -5.110 1.00 0.00 C ATOM 697 C ALA A 75 14.100 -10.060 -5.090 1.00 0.00 C ATOM 698 O ALA A 75 13.800 -9.020 -4.490 1.00 0.00 O ATOM 699 CB ALA A 75 11.990 -11.040 -6.070 1.00 0.00 C ATOM 0 H ALA A 75 12.051 -10.690 -3.427 1.00 0.00 H new ATOM 0 HA ALA A 75 13.705 -12.139 -5.454 1.00 0.00 H new ATOM 0 HB1 ALA A 75 12.371 -10.899 -7.081 1.00 0.00 H new ATOM 0 HB2 ALA A 75 11.333 -11.909 -6.048 1.00 0.00 H new ATOM 0 HB3 ALA A 75 11.431 -10.155 -5.766 1.00 0.00 H new ATOM 701 N THR A 76 15.280 -10.270 -5.670 1.00 0.00 N ATOM 702 CA THR A 76 16.280 -9.190 -5.850 1.00 0.00 C ATOM 703 C THR A 76 15.600 -8.030 -6.580 1.00 0.00 C ATOM 704 O THR A 76 14.680 -8.240 -7.370 1.00 0.00 O ATOM 705 CB THR A 76 17.500 -9.750 -6.600 1.00 0.00 C ATOM 706 OG1 THR A 76 18.130 -10.680 -5.710 1.00 0.00 O ATOM 707 CG2 THR A 76 18.540 -8.710 -7.050 1.00 0.00 C ATOM 0 H THR A 76 15.579 -11.177 -6.028 1.00 0.00 H new ATOM 0 HA THR A 76 16.648 -8.812 -4.896 1.00 0.00 H new ATOM 0 HB THR A 76 17.134 -10.194 -7.526 1.00 0.00 H new ATOM 0 HG1 THR A 76 18.917 -11.068 -6.146 1.00 0.00 H new ATOM 0 HG21 THR A 76 19.357 -9.213 -7.568 1.00 0.00 H new ATOM 0 HG22 THR A 76 18.070 -7.993 -7.723 1.00 0.00 H new ATOM 0 HG23 THR A 76 18.931 -8.186 -6.178 1.00 0.00 H new ATOM 710 N GLN A 77 16.070 -6.830 -6.240 1.00 0.00 N ATOM 711 CA GLN A 77 15.610 -5.510 -6.770 1.00 0.00 C ATOM 712 C GLN A 77 14.320 -5.050 -6.060 1.00 0.00 C ATOM 713 O GLN A 77 13.460 -4.350 -6.600 1.00 0.00 O ATOM 714 CB GLN A 77 15.430 -5.470 -8.310 1.00 0.00 C ATOM 715 CG GLN A 77 16.500 -6.300 -9.030 1.00 0.00 C ATOM 716 CD GLN A 77 17.080 -5.710 -10.300 1.00 0.00 C ATOM 717 OE1 GLN A 77 17.020 -4.530 -10.600 1.00 0.00 O ATOM 718 NE2 GLN A 77 17.800 -6.560 -11.010 1.00 0.00 N ATOM 0 H GLN A 77 16.819 -6.727 -5.555 1.00 0.00 H new ATOM 0 HA GLN A 77 16.416 -4.811 -6.547 1.00 0.00 H new ATOM 0 HB2 GLN A 77 14.441 -5.847 -8.570 1.00 0.00 H new ATOM 0 HB3 GLN A 77 15.478 -4.437 -8.655 1.00 0.00 H new ATOM 0 HG2 GLN A 77 17.319 -6.478 -8.333 1.00 0.00 H new ATOM 0 HG3 GLN A 77 16.071 -7.272 -9.272 1.00 0.00 H new ATOM 0 HE21 GLN A 77 17.838 -7.544 -10.743 1.00 0.00 H new ATOM 0 HE22 GLN A 77 18.318 -6.233 -11.825 1.00 0.00 H new ATOM 722 N GLU A 78 14.230 -5.450 -4.790 1.00 0.00 N ATOM 723 CA GLU A 78 13.110 -5.140 -3.900 1.00 0.00 C ATOM 724 C GLU A 78 13.540 -4.680 -2.510 1.00 0.00 C ATOM 725 O GLU A 78 13.040 -5.090 -1.470 1.00 0.00 O ATOM 726 CB GLU A 78 12.090 -6.280 -3.820 1.00 0.00 C ATOM 727 CG GLU A 78 11.180 -6.270 -5.050 1.00 0.00 C ATOM 728 CD GLU A 78 9.730 -6.560 -4.640 1.00 0.00 C ATOM 729 OE1 GLU A 78 9.500 -7.660 -4.100 1.00 0.00 O ATOM 730 OE2 GLU A 78 8.900 -5.650 -4.880 1.00 0.00 O ATOM 0 H GLU A 78 14.953 -6.013 -4.341 1.00 0.00 H new ATOM 0 HA GLU A 78 12.613 -4.287 -4.363 1.00 0.00 H new ATOM 0 HB2 GLU A 78 12.609 -7.236 -3.751 1.00 0.00 H new ATOM 0 HB3 GLU A 78 11.490 -6.177 -2.916 1.00 0.00 H new ATOM 0 HG2 GLU A 78 11.238 -5.301 -5.546 1.00 0.00 H new ATOM 0 HG3 GLU A 78 11.519 -7.017 -5.768 1.00 0.00 H new ATOM 732 N ASP A 79 14.470 -3.730 -2.540 1.00 0.00 N ATOM 733 CA ASP A 79 15.050 -3.150 -1.330 1.00 0.00 C ATOM 734 C ASP A 79 14.460 -1.760 -1.100 1.00 0.00 C ATOM 735 O ASP A 79 14.900 -0.800 -1.710 1.00 0.00 O ATOM 736 CB ASP A 79 16.580 -3.090 -1.410 1.00 0.00 C ATOM 737 CG ASP A 79 17.200 -3.100 -2.810 1.00 0.00 C ATOM 738 OD1 ASP A 79 16.680 -2.380 -3.690 1.00 0.00 O ATOM 739 OD2 ASP A 79 18.100 -3.940 -3.010 1.00 0.00 O ATOM 0 H ASP A 79 14.844 -3.339 -3.405 1.00 0.00 H new ATOM 0 HA ASP A 79 14.801 -3.791 -0.484 1.00 0.00 H new ATOM 0 HB2 ASP A 79 16.912 -2.186 -0.898 1.00 0.00 H new ATOM 0 HB3 ASP A 79 16.983 -3.937 -0.854 1.00 0.00 H new ATOM 741 N TYR A 80 13.330 -1.760 -0.420 1.00 0.00 N ATOM 742 CA TYR A 80 12.610 -0.560 0.030 1.00 0.00 C ATOM 743 C TYR A 80 13.520 0.310 0.910 1.00 0.00 C ATOM 744 O TYR A 80 14.600 -0.090 1.330 1.00 0.00 O ATOM 745 CB TYR A 80 11.370 -0.970 0.830 1.00 0.00 C ATOM 746 CG TYR A 80 10.540 -2.040 0.120 1.00 0.00 C ATOM 747 CD1 TYR A 80 9.680 -1.650 -0.930 1.00 0.00 C ATOM 748 CD2 TYR A 80 10.660 -3.380 0.520 1.00 0.00 C ATOM 749 CE1 TYR A 80 8.900 -2.640 -1.570 1.00 0.00 C ATOM 750 CE2 TYR A 80 9.920 -4.370 -0.150 1.00 0.00 C ATOM 751 CZ TYR A 80 9.030 -3.980 -1.170 1.00 0.00 C ATOM 752 OH TYR A 80 8.340 -4.930 -1.840 1.00 0.00 O ATOM 0 H TYR A 80 12.861 -2.624 -0.150 1.00 0.00 H new ATOM 0 HA TYR A 80 12.308 0.014 -0.846 1.00 0.00 H new ATOM 0 HB2 TYR A 80 11.679 -1.344 1.806 1.00 0.00 H new ATOM 0 HB3 TYR A 80 10.749 -0.092 1.007 1.00 0.00 H new ATOM 0 HD1 TYR A 80 9.619 -0.617 -1.238 1.00 0.00 H new ATOM 0 HD2 TYR A 80 11.315 -3.648 1.336 1.00 0.00 H new ATOM 0 HE1 TYR A 80 8.212 -2.369 -2.357 1.00 0.00 H new ATOM 0 HE2 TYR A 80 10.032 -5.412 0.113 1.00 0.00 H new ATOM 0 HH TYR A 80 8.651 -4.966 -2.769 1.00 0.00 H new ATOM 755 N TYR A 81 12.950 1.440 1.320 1.00 0.00 N ATOM 756 CA TYR A 81 13.680 2.430 2.110 1.00 0.00 C ATOM 757 C TYR A 81 12.700 3.380 2.780 1.00 0.00 C ATOM 758 O TYR A 81 11.900 4.040 2.130 1.00 0.00 O ATOM 759 CB TYR A 81 14.570 3.280 1.200 1.00 0.00 C ATOM 760 CG TYR A 81 15.710 3.910 1.990 1.00 0.00 C ATOM 761 CD1 TYR A 81 15.530 5.160 2.620 1.00 0.00 C ATOM 762 CD2 TYR A 81 16.950 3.250 1.960 1.00 0.00 C ATOM 763 CE1 TYR A 81 16.640 5.780 3.220 1.00 0.00 C ATOM 764 CE2 TYR A 81 18.060 3.870 2.560 1.00 0.00 C ATOM 765 CZ TYR A 81 17.890 5.140 3.150 1.00 0.00 C ATOM 766 OH TYR A 81 19.010 5.830 3.460 1.00 0.00 O ATOM 0 H TYR A 81 11.983 1.694 1.118 1.00 0.00 H new ATOM 0 HA TYR A 81 14.278 1.895 2.848 1.00 0.00 H new ATOM 0 HB2 TYR A 81 14.975 2.661 0.400 1.00 0.00 H new ATOM 0 HB3 TYR A 81 13.974 4.061 0.728 1.00 0.00 H new ATOM 0 HD1 TYR A 81 14.558 5.631 2.641 1.00 0.00 H new ATOM 0 HD2 TYR A 81 17.049 2.285 1.485 1.00 0.00 H new ATOM 0 HE1 TYR A 81 16.535 6.729 3.725 1.00 0.00 H new ATOM 0 HE2 TYR A 81 19.024 3.383 2.569 1.00 0.00 H new ATOM 0 HH TYR A 81 18.882 6.777 3.243 1.00 0.00 H new ATOM 769 N THR A 82 12.880 3.460 4.080 1.00 0.00 N ATOM 770 CA THR A 82 12.100 4.380 4.930 1.00 0.00 C ATOM 771 C THR A 82 12.790 5.730 5.080 1.00 0.00 C ATOM 772 O THR A 82 12.370 6.760 4.550 1.00 0.00 O ATOM 773 CB THR A 82 11.630 3.750 6.270 1.00 0.00 C ATOM 774 OG1 THR A 82 11.610 4.720 7.320 1.00 0.00 O ATOM 775 CG2 THR A 82 12.320 2.450 6.700 1.00 0.00 C ATOM 0 H THR A 82 13.563 2.900 4.591 1.00 0.00 H new ATOM 0 HA THR A 82 11.167 4.576 4.401 1.00 0.00 H new ATOM 0 HB THR A 82 10.611 3.424 6.060 1.00 0.00 H new ATOM 0 HG1 THR A 82 10.885 5.360 7.161 1.00 0.00 H new ATOM 0 HG21 THR A 82 11.903 2.114 7.649 1.00 0.00 H new ATOM 0 HG22 THR A 82 12.159 1.684 5.941 1.00 0.00 H new ATOM 0 HG23 THR A 82 13.389 2.627 6.816 1.00 0.00 H new ATOM 778 N GLY A 83 13.870 5.680 5.850 1.00 0.00 N ATOM 779 CA GLY A 83 14.620 6.870 6.260 1.00 0.00 C ATOM 780 C GLY A 83 13.890 7.780 7.280 1.00 0.00 C ATOM 781 O GLY A 83 14.360 8.840 7.660 1.00 0.00 O ATOM 0 H GLY A 83 14.256 4.808 6.212 1.00 0.00 H new ATOM 0 HA2 GLY A 83 15.569 6.553 6.692 1.00 0.00 H new ATOM 0 HA3 GLY A 83 14.854 7.458 5.373 1.00 0.00 H new ATOM 783 N ASP A 84 12.700 7.350 7.660 1.00 0.00 N ATOM 784 CA ASP A 84 11.880 8.030 8.670 1.00 0.00 C ATOM 785 C ASP A 84 11.410 7.080 9.790 1.00 0.00 C ATOM 786 O ASP A 84 10.560 7.440 10.590 1.00 0.00 O ATOM 787 CB ASP A 84 10.670 8.680 7.980 1.00 0.00 C ATOM 788 CG ASP A 84 10.970 9.910 7.140 1.00 0.00 C ATOM 789 OD1 ASP A 84 11.620 9.750 6.080 1.00 0.00 O ATOM 790 OD2 ASP A 84 10.440 10.980 7.520 1.00 0.00 O ATOM 0 H ASP A 84 12.264 6.511 7.277 1.00 0.00 H new ATOM 0 HA ASP A 84 12.498 8.791 9.146 1.00 0.00 H new ATOM 0 HB2 ASP A 84 10.196 7.934 7.342 1.00 0.00 H new ATOM 0 HB3 ASP A 84 9.943 8.954 8.745 1.00 0.00 H new ATOM 792 N HIS A 85 12.060 5.910 9.870 1.00 0.00 N ATOM 793 CA HIS A 85 11.800 4.810 10.820 1.00 0.00 C ATOM 794 C HIS A 85 10.390 4.270 10.640 1.00 0.00 C ATOM 795 O HIS A 85 9.440 4.750 11.250 1.00 0.00 O ATOM 796 CB HIS A 85 12.030 5.300 12.250 1.00 0.00 C ATOM 797 CG HIS A 85 11.980 4.200 13.290 1.00 0.00 C ATOM 798 ND1 HIS A 85 10.920 3.940 14.050 1.00 0.00 N ATOM 799 CD2 HIS A 85 12.960 3.390 13.640 1.00 0.00 C ATOM 800 CE1 HIS A 85 11.250 2.970 14.880 1.00 0.00 C ATOM 801 NE2 HIS A 85 12.510 2.630 14.630 1.00 0.00 N ATOM 0 H HIS A 85 12.828 5.690 9.236 1.00 0.00 H new ATOM 0 HA HIS A 85 12.492 3.992 10.620 1.00 0.00 H new ATOM 0 HB2 HIS A 85 13.001 5.793 12.303 1.00 0.00 H new ATOM 0 HB3 HIS A 85 11.277 6.050 12.492 1.00 0.00 H new ATOM 0 HD2 HIS A 85 13.946 3.352 13.202 1.00 0.00 H new ATOM 0 HE1 HIS A 85 10.610 2.530 15.630 1.00 0.00 H new ATOM 0 HE2 HIS A 85 13.041 1.908 15.116 1.00 0.00 H new ATOM 805 N TYR A 86 10.280 3.370 9.670 1.00 0.00 N ATOM 806 CA TYR A 86 8.980 2.770 9.290 1.00 0.00 C ATOM 807 C TYR A 86 7.890 3.810 9.010 1.00 0.00 C ATOM 808 O TYR A 86 6.740 3.680 9.410 1.00 0.00 O ATOM 809 CB TYR A 86 8.540 1.840 10.430 1.00 0.00 C ATOM 810 CG TYR A 86 9.260 0.500 10.500 1.00 0.00 C ATOM 811 CD1 TYR A 86 10.600 0.340 10.080 1.00 0.00 C ATOM 812 CD2 TYR A 86 8.490 -0.580 10.980 1.00 0.00 C ATOM 813 CE1 TYR A 86 11.170 -0.940 10.110 1.00 0.00 C ATOM 814 CE2 TYR A 86 9.070 -1.860 11.030 1.00 0.00 C ATOM 815 CZ TYR A 86 10.390 -2.020 10.580 1.00 0.00 C ATOM 816 OH TYR A 86 10.870 -3.280 10.430 1.00 0.00 O ATOM 0 H TYR A 86 11.071 3.030 9.123 1.00 0.00 H new ATOM 0 HA TYR A 86 9.117 2.223 8.357 1.00 0.00 H new ATOM 0 HB2 TYR A 86 8.686 2.361 11.376 1.00 0.00 H new ATOM 0 HB3 TYR A 86 7.471 1.653 10.330 1.00 0.00 H new ATOM 0 HD1 TYR A 86 11.175 1.189 9.742 1.00 0.00 H new ATOM 0 HD2 TYR A 86 7.471 -0.426 11.304 1.00 0.00 H new ATOM 0 HE1 TYR A 86 12.186 -1.098 9.780 1.00 0.00 H new ATOM 0 HE2 TYR A 86 8.511 -2.703 11.407 1.00 0.00 H new ATOM 0 HH TYR A 86 10.210 -3.827 9.955 1.00 0.00 H new ATOM 819 N ALA A 87 8.290 4.910 8.380 1.00 0.00 N ATOM 820 CA ALA A 87 7.300 5.950 8.060 1.00 0.00 C ATOM 821 C ALA A 87 6.990 6.070 6.570 1.00 0.00 C ATOM 822 O ALA A 87 5.950 6.600 6.190 1.00 0.00 O ATOM 823 CB ALA A 87 7.700 7.290 8.680 1.00 0.00 C ATOM 0 H ALA A 87 9.247 5.107 8.089 1.00 0.00 H new ATOM 0 HA ALA A 87 6.361 5.632 8.513 1.00 0.00 H new ATOM 0 HB1 ALA A 87 6.953 8.044 8.430 1.00 0.00 H new ATOM 0 HB2 ALA A 87 7.762 7.186 9.763 1.00 0.00 H new ATOM 0 HB3 ALA A 87 8.670 7.597 8.289 1.00 0.00 H new ATOM 825 N THR A 88 7.840 5.430 5.760 1.00 0.00 N ATOM 826 CA THR A 88 7.790 5.460 4.280 1.00 0.00 C ATOM 827 C THR A 88 8.600 4.270 3.760 1.00 0.00 C ATOM 828 O THR A 88 9.210 3.540 4.540 1.00 0.00 O ATOM 829 CB THR A 88 8.420 6.740 3.740 1.00 0.00 C ATOM 830 OG1 THR A 88 9.630 6.970 4.460 1.00 0.00 O ATOM 831 CG2 THR A 88 7.480 7.950 3.820 1.00 0.00 C ATOM 0 H THR A 88 8.606 4.859 6.118 1.00 0.00 H new ATOM 0 HA THR A 88 6.751 5.416 3.955 1.00 0.00 H new ATOM 0 HB THR A 88 8.627 6.611 2.678 1.00 0.00 H new ATOM 0 HG1 THR A 88 10.393 6.677 3.919 1.00 0.00 H new ATOM 0 HG21 THR A 88 7.985 8.830 3.421 1.00 0.00 H new ATOM 0 HG22 THR A 88 6.581 7.752 3.236 1.00 0.00 H new ATOM 0 HG23 THR A 88 7.205 8.129 4.859 1.00 0.00 H new ATOM 834 N PHE A 89 8.430 3.970 2.480 1.00 0.00 N ATOM 835 CA PHE A 89 9.060 2.810 1.830 1.00 0.00 C ATOM 836 C PHE A 89 9.130 3.070 0.330 1.00 0.00 C ATOM 837 O PHE A 89 8.100 3.350 -0.310 1.00 0.00 O ATOM 838 CB PHE A 89 8.260 1.530 2.050 1.00 0.00 C ATOM 839 CG PHE A 89 8.160 1.130 3.520 1.00 0.00 C ATOM 840 CD1 PHE A 89 9.200 0.390 4.130 1.00 0.00 C ATOM 841 CD2 PHE A 89 7.060 1.580 4.270 1.00 0.00 C ATOM 842 CE1 PHE A 89 9.130 0.100 5.520 1.00 0.00 C ATOM 843 CE2 PHE A 89 6.990 1.320 5.660 1.00 0.00 C ATOM 844 CZ PHE A 89 8.030 0.570 6.260 1.00 0.00 C ATOM 0 H PHE A 89 7.848 4.524 1.851 1.00 0.00 H new ATOM 0 HA PHE A 89 10.051 2.679 2.265 1.00 0.00 H new ATOM 0 HB2 PHE A 89 7.256 1.663 1.647 1.00 0.00 H new ATOM 0 HB3 PHE A 89 8.724 0.718 1.490 1.00 0.00 H new ATOM 0 HD1 PHE A 89 10.041 0.048 3.544 1.00 0.00 H new ATOM 0 HD2 PHE A 89 6.265 2.126 3.784 1.00 0.00 H new ATOM 0 HE1 PHE A 89 9.910 -0.473 6.000 1.00 0.00 H new ATOM 0 HE2 PHE A 89 6.162 1.686 6.249 1.00 0.00 H new ATOM 0 HZ PHE A 89 7.977 0.352 7.317 1.00 0.00 H new ATOM 846 N SER A 90 10.360 3.200 -0.130 1.00 0.00 N ATOM 847 CA SER A 90 10.650 3.490 -1.540 1.00 0.00 C ATOM 848 C SER A 90 11.730 2.540 -2.040 1.00 0.00 C ATOM 849 O SER A 90 12.820 2.500 -1.470 1.00 0.00 O ATOM 850 CB SER A 90 11.130 4.930 -1.730 1.00 0.00 C ATOM 851 OG SER A 90 10.320 5.830 -0.980 1.00 0.00 O ATOM 0 H SER A 90 11.191 3.110 0.454 1.00 0.00 H new ATOM 0 HA SER A 90 9.729 3.356 -2.107 1.00 0.00 H new ATOM 0 HB2 SER A 90 12.169 5.018 -1.414 1.00 0.00 H new ATOM 0 HB3 SER A 90 11.095 5.195 -2.787 1.00 0.00 H new ATOM 0 HG SER A 90 10.641 6.746 -1.111 1.00 0.00 H new ATOM 854 N LEU A 91 11.370 1.690 -3.010 1.00 0.00 N ATOM 855 CA LEU A 91 12.300 0.740 -3.640 1.00 0.00 C ATOM 856 C LEU A 91 13.620 1.410 -4.040 1.00 0.00 C ATOM 857 O LEU A 91 13.690 2.630 -4.160 1.00 0.00 O ATOM 858 CB LEU A 91 11.680 0.100 -4.890 1.00 0.00 C ATOM 859 CG LEU A 91 10.670 -1.000 -4.560 1.00 0.00 C ATOM 860 CD1 LEU A 91 10.040 -1.550 -5.840 1.00 0.00 C ATOM 861 CD2 LEU A 91 11.390 -2.140 -3.850 1.00 0.00 C ATOM 0 H LEU A 91 10.422 1.641 -3.383 1.00 0.00 H new ATOM 0 HA LEU A 91 12.502 -0.028 -2.894 1.00 0.00 H new ATOM 0 HB2 LEU A 91 11.187 0.872 -5.481 1.00 0.00 H new ATOM 0 HB3 LEU A 91 12.474 -0.317 -5.510 1.00 0.00 H new ATOM 0 HG LEU A 91 9.890 -0.580 -3.925 1.00 0.00 H new ATOM 0 HD11 LEU A 91 9.324 -2.332 -5.586 1.00 0.00 H new ATOM 0 HD12 LEU A 91 9.527 -0.746 -6.368 1.00 0.00 H new ATOM 0 HD13 LEU A 91 10.819 -1.965 -6.480 1.00 0.00 H new ATOM 0 HD21 LEU A 91 10.676 -2.928 -3.611 1.00 0.00 H new ATOM 0 HD22 LEU A 91 12.168 -2.540 -4.500 1.00 0.00 H new ATOM 0 HD23 LEU A 91 11.841 -1.768 -2.930 1.00 0.00 H new ATOM 863 N ILE A 92 14.660 0.640 -4.320 1.00 0.00 N ATOM 864 CA ILE A 92 15.950 1.210 -4.720 1.00 0.00 C ATOM 865 C ILE A 92 16.210 0.840 -6.180 1.00 0.00 C ATOM 866 O ILE A 92 16.250 -0.330 -6.550 1.00 0.00 O ATOM 867 CB ILE A 92 17.060 0.770 -3.750 1.00 0.00 C ATOM 868 CG1 ILE A 92 17.170 1.680 -2.530 1.00 0.00 C ATOM 869 CG2 ILE A 92 18.460 0.770 -4.370 1.00 0.00 C ATOM 870 CD1 ILE A 92 15.990 1.780 -1.580 1.00 0.00 C ATOM 0 H ILE A 92 14.643 -0.379 -4.280 1.00 0.00 H new ATOM 0 HA ILE A 92 15.936 2.298 -4.658 1.00 0.00 H new ATOM 0 HB ILE A 92 16.756 -0.241 -3.480 1.00 0.00 H new ATOM 0 HG12 ILE A 92 18.033 1.351 -1.950 1.00 0.00 H new ATOM 0 HG13 ILE A 92 17.391 2.686 -2.888 1.00 0.00 H new ATOM 0 HG21 ILE A 92 19.188 0.449 -3.625 1.00 0.00 H new ATOM 0 HG22 ILE A 92 18.482 0.086 -5.218 1.00 0.00 H new ATOM 0 HG23 ILE A 92 18.708 1.776 -4.709 1.00 0.00 H new ATOM 0 HD11 ILE A 92 16.233 2.467 -0.769 1.00 0.00 H new ATOM 0 HD12 ILE A 92 15.119 2.150 -2.120 1.00 0.00 H new ATOM 0 HD13 ILE A 92 15.770 0.795 -1.168 1.00 0.00 H new ATOM 872 N ASP A 93 16.530 1.880 -6.940 1.00 0.00 N ATOM 873 CA ASP A 93 16.910 1.690 -8.340 1.00 0.00 C ATOM 874 C ASP A 93 18.420 1.860 -8.460 1.00 0.00 C ATOM 875 O ASP A 93 18.890 2.980 -8.600 1.00 0.00 O ATOM 876 CB ASP A 93 16.150 2.690 -9.210 1.00 0.00 C ATOM 877 CG ASP A 93 15.380 2.030 -10.350 1.00 0.00 C ATOM 878 OD1 ASP A 93 15.620 0.830 -10.620 1.00 0.00 O ATOM 879 OD2 ASP A 93 14.620 2.790 -10.990 1.00 0.00 O ATOM 0 H ASP A 93 16.535 2.849 -6.621 1.00 0.00 H new ATOM 0 HA ASP A 93 16.649 0.689 -8.685 1.00 0.00 H new ATOM 0 HB2 ASP A 93 15.453 3.249 -8.586 1.00 0.00 H new ATOM 0 HB3 ASP A 93 16.855 3.410 -9.625 1.00 0.00 H new ATOM 881 N GLN A 94 19.150 0.750 -8.350 1.00 0.00 N ATOM 882 CA GLN A 94 20.630 0.770 -8.450 1.00 0.00 C ATOM 883 C GLN A 94 21.130 1.470 -9.720 1.00 0.00 C ATOM 884 O GLN A 94 22.040 2.300 -9.670 1.00 0.00 O ATOM 885 CB GLN A 94 21.230 -0.640 -8.400 1.00 0.00 C ATOM 886 CG GLN A 94 20.720 -1.470 -7.210 1.00 0.00 C ATOM 887 CD GLN A 94 19.900 -2.640 -7.750 1.00 0.00 C ATOM 888 OE1 GLN A 94 18.760 -2.500 -8.180 1.00 0.00 O ATOM 889 NE2 GLN A 94 20.540 -3.780 -7.860 1.00 0.00 N ATOM 0 H GLN A 94 18.753 -0.176 -8.192 1.00 0.00 H new ATOM 0 HA GLN A 94 20.964 1.338 -7.582 1.00 0.00 H new ATOM 0 HB2 GLN A 94 20.994 -1.162 -9.327 1.00 0.00 H new ATOM 0 HB3 GLN A 94 22.316 -0.565 -8.344 1.00 0.00 H new ATOM 0 HG2 GLN A 94 21.558 -1.837 -6.617 1.00 0.00 H new ATOM 0 HG3 GLN A 94 20.110 -0.852 -6.551 1.00 0.00 H new ATOM 0 HE21 GLN A 94 21.488 -3.870 -7.494 1.00 0.00 H new ATOM 0 HE22 GLN A 94 20.090 -4.576 -8.312 1.00 0.00 H new ATOM 893 N THR A 95 20.360 1.260 -10.800 1.00 0.00 N ATOM 894 CA THR A 95 20.540 1.920 -12.120 1.00 0.00 C ATOM 895 C THR A 95 20.470 3.450 -12.050 1.00 0.00 C ATOM 896 O THR A 95 21.360 4.160 -12.510 1.00 0.00 O ATOM 897 CB THR A 95 19.550 1.380 -13.160 1.00 0.00 C ATOM 898 OG1 THR A 95 19.680 2.140 -14.370 1.00 0.00 O ATOM 899 CG2 THR A 95 18.080 1.350 -12.710 1.00 0.00 C ATOM 0 H THR A 95 19.573 0.611 -10.787 1.00 0.00 H new ATOM 0 HA THR A 95 21.552 1.668 -12.438 1.00 0.00 H new ATOM 0 HB THR A 95 19.817 0.334 -13.314 1.00 0.00 H new ATOM 0 HG1 THR A 95 19.051 1.799 -15.040 1.00 0.00 H new ATOM 0 HG21 THR A 95 17.461 0.953 -13.515 1.00 0.00 H new ATOM 0 HG22 THR A 95 17.982 0.715 -11.829 1.00 0.00 H new ATOM 0 HG23 THR A 95 17.753 2.361 -12.467 1.00 0.00 H new ATOM 902 N CYS A 96 19.450 3.950 -11.350 1.00 0.00 N ATOM 903 CA CYS A 96 19.280 5.400 -11.170 1.00 0.00 C ATOM 904 C CYS A 96 20.130 5.890 -9.990 1.00 0.00 C ATOM 905 O CYS A 96 20.670 7.010 -10.030 1.00 0.00 O ATOM 906 CB CYS A 96 17.790 5.700 -10.980 1.00 0.00 C ATOM 907 SG CYS A 96 17.430 7.490 -11.060 1.00 0.00 S ATOM 908 OXT CYS A 96 20.180 5.150 -8.980 1.00 0.00 O ATOM 0 H CYS A 96 18.733 3.381 -10.900 1.00 0.00 H new ATOM 0 HA CYS A 96 19.627 5.939 -12.052 1.00 0.00 H new ATOM 0 HB2 CYS A 96 17.216 5.181 -11.748 1.00 0.00 H new ATOM 0 HB3 CYS A 96 17.462 5.308 -10.017 1.00 0.00 H new