USER MOD reduce.3.24.130724 H: found=0, std=0, add=742, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 188 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 25 TYR OH : rot 180:sc= 0.989 USER MOD Set 1.2: A 70 SER OG : rot -71:sc= -0.327 USER MOD Set 2.1: A 8 SER OG : rot -146:sc= 0.405 USER MOD Set 2.2: A 50 GLN : amide:sc= 1.35 K(o=2.1,f=-5.3!) USER MOD Set 2.3: A 52 GLN : amide:sc= 0.298 K(o=2.1,f=-2.5!) USER MOD Single : A 7 LYS NZ :NH3+ 164:sc= -0.0107 (180deg=-0.256) USER MOD Single : A 11 TYR OH : rot 133:sc= 0.461 USER MOD Single : A 18 GLN : amide:sc= 0.317 K(o=0.32,f=-4.4!) USER MOD Single : A 21 CYS SG : rot 39:sc= 0.21 USER MOD Single : A 24 MET CE :methyl -131:sc= 0 (180deg=-0.0608) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 ASN : amide:sc= -1.2 X(o=-1.2,f=-1.7) USER MOD Single : A 42 THR OG1 : rot -172:sc= -1.87! USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0483) USER MOD Single : A 46 THR OG1 : rot -69:sc=-0.00708 USER MOD Single : A 48 THR OG1 : rot 54:sc= 0.691 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 ASN : amide:sc= 0.909 K(o=0.91,f=-0.1) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 61 MET CE :methyl -144:sc= -3.57! (180deg=-5.99!) USER MOD Single : A 62 LYS NZ :NH3+ -169:sc= -0.0547 (180deg=-0.213) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 66 SER OG : rot 97:sc= 0.238 USER MOD Single : A 67 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.018) USER MOD Single : A 72 SER OG : rot 180:sc= 0.122 USER MOD Single : A 73 SER OG : rot -69:sc= 0.749 USER MOD Single : A 78 THR OG1 : rot 155:sc= -0.175 USER MOD Single : A 79 ASN : amide:sc= -3.68! K(o=-3.7!,f=-0.17) USER MOD Single : A 81 SER OG : rot 128:sc= -0.164 USER MOD Single : A 82 ASN : amide:sc= -0.269 K(o=-0.27,f=-2.9!) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 THR OG1 : rot 52:sc= 0.0895 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 88 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0542) USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 180:sc= 0.0262 USER MOD Single : A 93 ASN : amide:sc= -0.377 K(o=-0.38,f=-4!) USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 43 N PRO A 5 15.950 1.400 -11.190 1.00 0.00 N ATOM 44 CA PRO A 5 15.450 0.410 -10.220 1.00 0.00 C ATOM 45 C PRO A 5 15.410 0.880 -8.760 1.00 0.00 C ATOM 46 O PRO A 5 16.270 0.580 -7.940 1.00 0.00 O ATOM 47 CB PRO A 5 16.340 -0.820 -10.410 1.00 0.00 C ATOM 48 CG PRO A 5 16.850 -0.680 -11.840 1.00 0.00 C ATOM 49 CD PRO A 5 17.060 0.830 -11.970 1.00 0.00 C ATOM 0 HA PRO A 5 14.398 0.205 -10.419 1.00 0.00 H new ATOM 0 HB2 PRO A 5 17.160 -0.836 -9.692 1.00 0.00 H new ATOM 0 HB3 PRO A 5 15.779 -1.745 -10.274 1.00 0.00 H new ATOM 0 HG2 PRO A 5 17.776 -1.233 -11.997 1.00 0.00 H new ATOM 0 HG3 PRO A 5 16.128 -1.053 -12.567 1.00 0.00 H new ATOM 0 HD2 PRO A 5 18.028 1.136 -11.573 1.00 0.00 H new ATOM 0 HD3 PRO A 5 17.026 1.152 -13.011 1.00 0.00 H new ATOM 50 N LEU A 6 14.440 1.760 -8.510 1.00 0.00 N ATOM 51 CA LEU A 6 13.930 2.160 -7.200 1.00 0.00 C ATOM 52 C LEU A 6 12.410 2.000 -7.310 1.00 0.00 C ATOM 53 O LEU A 6 11.780 2.560 -8.200 1.00 0.00 O ATOM 54 CB LEU A 6 14.250 3.610 -6.850 1.00 0.00 C ATOM 55 CG LEU A 6 15.740 3.860 -6.650 1.00 0.00 C ATOM 56 CD1 LEU A 6 16.400 4.310 -7.960 1.00 0.00 C ATOM 57 CD2 LEU A 6 15.950 4.950 -5.600 1.00 0.00 C ATOM 0 H LEU A 6 13.959 2.244 -9.268 1.00 0.00 H new ATOM 0 HA LEU A 6 14.388 1.554 -6.418 1.00 0.00 H new ATOM 0 HB2 LEU A 6 13.882 4.259 -7.644 1.00 0.00 H new ATOM 0 HB3 LEU A 6 13.716 3.885 -5.940 1.00 0.00 H new ATOM 0 HG LEU A 6 16.195 2.926 -6.320 1.00 0.00 H new ATOM 0 HD11 LEU A 6 17.463 4.482 -7.791 1.00 0.00 H new ATOM 0 HD12 LEU A 6 16.273 3.535 -8.716 1.00 0.00 H new ATOM 0 HD13 LEU A 6 15.933 5.233 -8.304 1.00 0.00 H new ATOM 0 HD21 LEU A 6 17.018 5.122 -5.463 1.00 0.00 H new ATOM 0 HD22 LEU A 6 15.473 5.872 -5.932 1.00 0.00 H new ATOM 0 HD23 LEU A 6 15.509 4.634 -4.654 1.00 0.00 H new ATOM 59 N LYS A 7 11.830 1.260 -6.360 1.00 0.00 N ATOM 60 CA LYS A 7 10.470 0.740 -6.570 1.00 0.00 C ATOM 61 C LYS A 7 9.420 1.630 -5.910 1.00 0.00 C ATOM 62 O LYS A 7 9.450 1.900 -4.710 1.00 0.00 O ATOM 63 CB LYS A 7 10.330 -0.680 -6.020 1.00 0.00 C ATOM 64 CG LYS A 7 11.250 -1.720 -6.670 1.00 0.00 C ATOM 65 CD LYS A 7 10.770 -2.130 -8.060 1.00 0.00 C ATOM 66 CE LYS A 7 11.630 -3.260 -8.640 1.00 0.00 C ATOM 67 NZ LYS A 7 11.440 -4.500 -7.880 1.00 0.00 N ATOM 0 H LYS A 7 12.259 1.013 -5.468 1.00 0.00 H new ATOM 0 HA LYS A 7 10.303 0.731 -7.647 1.00 0.00 H new ATOM 0 HB2 LYS A 7 10.529 -0.660 -4.949 1.00 0.00 H new ATOM 0 HB3 LYS A 7 9.296 -1.002 -6.146 1.00 0.00 H new ATOM 0 HG2 LYS A 7 12.259 -1.315 -6.741 1.00 0.00 H new ATOM 0 HG3 LYS A 7 11.305 -2.602 -6.032 1.00 0.00 H new ATOM 0 HD2 LYS A 7 9.730 -2.453 -8.007 1.00 0.00 H new ATOM 0 HD3 LYS A 7 10.802 -1.268 -8.726 1.00 0.00 H new ATOM 0 HE2 LYS A 7 11.367 -3.424 -9.685 1.00 0.00 H new ATOM 0 HE3 LYS A 7 12.681 -2.972 -8.618 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 11.804 -5.304 -8.431 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 11.955 -4.437 -6.978 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 10.427 -4.640 -7.691 1.00 0.00 H new ATOM 72 N SER A 8 8.600 2.200 -6.780 1.00 0.00 N ATOM 73 CA SER A 8 7.350 2.850 -6.360 1.00 0.00 C ATOM 74 C SER A 8 6.150 2.000 -6.760 1.00 0.00 C ATOM 75 O SER A 8 5.930 1.640 -7.910 1.00 0.00 O ATOM 76 CB SER A 8 7.130 4.260 -6.910 1.00 0.00 C ATOM 77 OG SER A 8 6.030 4.740 -6.120 1.00 0.00 O ATOM 0 H SER A 8 8.771 2.230 -7.785 1.00 0.00 H new ATOM 0 HA SER A 8 7.447 2.943 -5.278 1.00 0.00 H new ATOM 0 HB2 SER A 8 8.016 4.884 -6.791 1.00 0.00 H new ATOM 0 HB3 SER A 8 6.890 4.247 -7.973 1.00 0.00 H new ATOM 0 HG SER A 8 5.467 5.328 -6.666 1.00 0.00 H new ATOM 80 N VAL A 9 5.400 1.690 -5.700 1.00 0.00 N ATOM 81 CA VAL A 9 4.230 0.800 -5.740 1.00 0.00 C ATOM 82 C VAL A 9 2.990 1.630 -5.450 1.00 0.00 C ATOM 83 O VAL A 9 2.840 2.240 -4.400 1.00 0.00 O ATOM 84 CB VAL A 9 4.390 -0.350 -4.740 1.00 0.00 C ATOM 85 CG1 VAL A 9 3.370 -1.440 -5.100 1.00 0.00 C ATOM 86 CG2 VAL A 9 5.760 -1.020 -4.760 1.00 0.00 C ATOM 0 H VAL A 9 5.591 2.057 -4.768 1.00 0.00 H new ATOM 0 HA VAL A 9 4.135 0.346 -6.726 1.00 0.00 H new ATOM 0 HB VAL A 9 4.248 0.088 -3.752 1.00 0.00 H new ATOM 0 HG11 VAL A 9 3.464 -2.271 -4.401 1.00 0.00 H new ATOM 0 HG12 VAL A 9 2.362 -1.029 -5.041 1.00 0.00 H new ATOM 0 HG13 VAL A 9 3.559 -1.795 -6.113 1.00 0.00 H new ATOM 0 HG21 VAL A 9 5.784 -1.821 -4.022 1.00 0.00 H new ATOM 0 HG22 VAL A 9 5.948 -1.434 -5.751 1.00 0.00 H new ATOM 0 HG23 VAL A 9 6.528 -0.284 -4.522 1.00 0.00 H new ATOM 88 N ASP A 10 2.220 1.820 -6.530 1.00 0.00 N ATOM 89 CA ASP A 10 0.910 2.470 -6.500 1.00 0.00 C ATOM 90 C ASP A 10 -0.140 1.390 -6.220 1.00 0.00 C ATOM 91 O ASP A 10 -0.410 0.500 -7.020 1.00 0.00 O ATOM 92 CB ASP A 10 0.620 3.220 -7.810 1.00 0.00 C ATOM 93 CG ASP A 10 -0.420 4.320 -7.610 1.00 0.00 C ATOM 94 OD1 ASP A 10 -1.540 3.990 -7.160 1.00 0.00 O ATOM 95 OD2 ASP A 10 -0.060 5.470 -7.930 1.00 0.00 O ATOM 0 H ASP A 10 2.498 1.520 -7.464 1.00 0.00 H new ATOM 0 HA ASP A 10 0.885 3.224 -5.713 1.00 0.00 H new ATOM 0 HB2 ASP A 10 1.543 3.656 -8.192 1.00 0.00 H new ATOM 0 HB3 ASP A 10 0.265 2.516 -8.562 1.00 0.00 H new ATOM 97 N TYR A 11 -0.430 1.390 -4.920 1.00 0.00 N ATOM 98 CA TYR A 11 -1.250 0.410 -4.210 1.00 0.00 C ATOM 99 C TYR A 11 -2.710 0.850 -4.080 1.00 0.00 C ATOM 100 O TYR A 11 -3.040 2.030 -4.240 1.00 0.00 O ATOM 101 CB TYR A 11 -0.660 0.140 -2.830 1.00 0.00 C ATOM 102 CG TYR A 11 -0.500 1.380 -1.960 1.00 0.00 C ATOM 103 CD1 TYR A 11 0.620 2.180 -2.180 1.00 0.00 C ATOM 104 CD2 TYR A 11 -1.550 1.800 -1.150 1.00 0.00 C ATOM 105 CE1 TYR A 11 0.650 3.460 -1.640 1.00 0.00 C ATOM 106 CE2 TYR A 11 -1.510 3.070 -0.590 1.00 0.00 C ATOM 107 CZ TYR A 11 -0.430 3.890 -0.870 1.00 0.00 C ATOM 108 OH TYR A 11 -0.440 5.200 -0.500 1.00 0.00 O ATOM 0 H TYR A 11 -0.078 2.117 -4.297 1.00 0.00 H new ATOM 0 HA TYR A 11 -1.243 -0.506 -4.801 1.00 0.00 H new ATOM 0 HB2 TYR A 11 -1.298 -0.574 -2.309 1.00 0.00 H new ATOM 0 HB3 TYR A 11 0.315 -0.332 -2.951 1.00 0.00 H new ATOM 0 HD1 TYR A 11 1.452 1.811 -2.761 1.00 0.00 H new ATOM 0 HD2 TYR A 11 -2.387 1.145 -0.959 1.00 0.00 H new ATOM 0 HE1 TYR A 11 1.495 4.110 -1.814 1.00 0.00 H new ATOM 0 HE2 TYR A 11 -2.307 3.412 0.053 1.00 0.00 H new ATOM 0 HH TYR A 11 -1.327 5.581 -0.670 1.00 0.00 H new ATOM 111 N GLU A 12 -3.580 -0.160 -4.030 1.00 0.00 N ATOM 112 CA GLU A 12 -4.990 -0.010 -3.630 1.00 0.00 C ATOM 113 C GLU A 12 -5.280 -1.030 -2.530 1.00 0.00 C ATOM 114 O GLU A 12 -5.340 -2.230 -2.770 1.00 0.00 O ATOM 115 CB GLU A 12 -5.960 -0.220 -4.790 1.00 0.00 C ATOM 116 CG GLU A 12 -5.810 0.730 -5.980 1.00 0.00 C ATOM 117 CD GLU A 12 -4.620 0.400 -6.880 1.00 0.00 C ATOM 118 OE1 GLU A 12 -4.650 -0.690 -7.500 1.00 0.00 O ATOM 119 OE2 GLU A 12 -3.720 1.260 -6.970 1.00 0.00 O ATOM 0 H GLU A 12 -3.327 -1.119 -4.268 1.00 0.00 H new ATOM 0 HA GLU A 12 -5.138 1.011 -3.279 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -5.845 -1.242 -5.151 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -6.976 -0.130 -4.407 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -6.723 0.701 -6.574 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -5.703 1.749 -5.609 1.00 0.00 H new ATOM 121 N VAL A 13 -5.210 -0.530 -1.300 1.00 0.00 N ATOM 122 CA VAL A 13 -5.460 -1.300 -0.070 1.00 0.00 C ATOM 123 C VAL A 13 -6.950 -1.660 0.000 1.00 0.00 C ATOM 124 O VAL A 13 -7.800 -0.790 -0.170 1.00 0.00 O ATOM 125 CB VAL A 13 -5.020 -0.500 1.160 1.00 0.00 C ATOM 126 CG1 VAL A 13 -5.350 -1.210 2.480 1.00 0.00 C ATOM 127 CG2 VAL A 13 -3.520 -0.230 1.150 1.00 0.00 C ATOM 0 H VAL A 13 -4.973 0.445 -1.119 1.00 0.00 H new ATOM 0 HA VAL A 13 -4.876 -2.220 -0.085 1.00 0.00 H new ATOM 0 HB VAL A 13 -5.578 0.435 1.101 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -5.015 -0.597 3.317 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -6.427 -1.364 2.551 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -4.843 -2.174 2.511 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -3.247 0.340 2.038 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -2.980 -1.177 1.146 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -3.259 0.341 0.259 1.00 0.00 H new ATOM 129 N PHE A 14 -7.240 -2.950 0.170 1.00 0.00 N ATOM 130 CA PHE A 14 -8.610 -3.430 0.390 1.00 0.00 C ATOM 131 C PHE A 14 -8.700 -4.320 1.630 1.00 0.00 C ATOM 132 O PHE A 14 -7.870 -5.210 1.820 1.00 0.00 O ATOM 133 CB PHE A 14 -9.140 -4.180 -0.840 1.00 0.00 C ATOM 134 CG PHE A 14 -9.280 -3.280 -2.070 1.00 0.00 C ATOM 135 CD1 PHE A 14 -10.220 -2.250 -2.080 1.00 0.00 C ATOM 136 CD2 PHE A 14 -8.470 -3.520 -3.170 1.00 0.00 C ATOM 137 CE1 PHE A 14 -10.340 -1.450 -3.220 1.00 0.00 C ATOM 138 CE2 PHE A 14 -8.600 -2.730 -4.310 1.00 0.00 C ATOM 139 CZ PHE A 14 -9.530 -1.700 -4.320 1.00 0.00 C ATOM 0 H PHE A 14 -6.538 -3.690 0.160 1.00 0.00 H new ATOM 0 HA PHE A 14 -9.234 -2.552 0.555 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -8.467 -5.005 -1.074 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -10.110 -4.617 -0.603 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -10.847 -2.073 -1.219 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -7.741 -4.316 -3.143 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -11.058 -0.643 -3.245 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -7.984 -2.917 -5.177 1.00 0.00 H new ATOM 0 HZ PHE A 14 -9.626 -1.081 -5.200 1.00 0.00 H new ATOM 141 N GLY A 15 -9.750 -4.090 2.400 1.00 0.00 N ATOM 142 CA GLY A 15 -9.980 -4.770 3.690 1.00 0.00 C ATOM 143 C GLY A 15 -11.080 -5.830 3.600 1.00 0.00 C ATOM 144 O GLY A 15 -12.200 -5.510 3.200 1.00 0.00 O ATOM 0 H GLY A 15 -10.481 -3.422 2.156 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -9.053 -5.239 4.021 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -10.251 -4.031 4.444 1.00 0.00 H new ATOM 146 N ARG A 16 -10.700 -7.060 3.920 1.00 0.00 N ATOM 147 CA ARG A 16 -11.610 -8.210 4.070 1.00 0.00 C ATOM 148 C ARG A 16 -12.950 -7.910 4.730 1.00 0.00 C ATOM 149 O ARG A 16 -13.990 -8.440 4.330 1.00 0.00 O ATOM 150 CB ARG A 16 -10.900 -9.340 4.820 1.00 0.00 C ATOM 151 CG ARG A 16 -10.460 -10.450 3.860 1.00 0.00 C ATOM 152 CD ARG A 16 -11.620 -11.340 3.420 1.00 0.00 C ATOM 153 NE ARG A 16 -11.760 -12.500 4.310 1.00 0.00 N ATOM 154 CZ ARG A 16 -12.820 -12.820 5.080 1.00 0.00 C ATOM 155 NH1 ARG A 16 -13.890 -12.030 5.210 1.00 0.00 N ATOM 156 NH2 ARG A 16 -12.910 -14.060 5.580 1.00 0.00 N ATOM 0 H ARG A 16 -9.724 -7.302 4.089 1.00 0.00 H new ATOM 0 HA ARG A 16 -11.860 -8.506 3.051 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -10.031 -8.943 5.344 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -11.567 -9.753 5.577 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -9.997 -10.002 2.981 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -9.700 -11.063 4.344 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -12.545 -10.764 3.419 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -11.455 -11.679 2.397 1.00 0.00 H new ATOM 0 HE ARG A 16 -10.964 -13.137 4.350 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -13.930 -11.140 4.714 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -14.667 -12.317 5.805 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -12.183 -14.746 5.376 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -13.705 -14.318 6.164 1.00 0.00 H new ATOM 163 N VAL A 17 -12.900 -7.120 5.810 1.00 0.00 N ATOM 164 CA VAL A 17 -14.080 -6.450 6.370 1.00 0.00 C ATOM 165 C VAL A 17 -13.850 -4.940 6.390 1.00 0.00 C ATOM 166 O VAL A 17 -12.710 -4.470 6.490 1.00 0.00 O ATOM 167 CB VAL A 17 -14.480 -7.070 7.710 1.00 0.00 C ATOM 168 CG1 VAL A 17 -13.530 -6.740 8.870 1.00 0.00 C ATOM 169 CG2 VAL A 17 -15.910 -6.690 8.090 1.00 0.00 C ATOM 0 H VAL A 17 -12.038 -6.927 6.321 1.00 0.00 H new ATOM 0 HA VAL A 17 -14.950 -6.609 5.733 1.00 0.00 H new ATOM 0 HB VAL A 17 -14.411 -8.146 7.551 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -13.888 -7.219 9.781 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -12.530 -7.106 8.637 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -13.496 -5.660 9.017 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -16.165 -7.145 9.047 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -15.989 -5.606 8.172 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -16.597 -7.047 7.323 1.00 0.00 H new ATOM 171 N GLN A 18 -14.940 -4.200 6.200 1.00 0.00 N ATOM 172 CA GLN A 18 -14.930 -2.730 6.200 1.00 0.00 C ATOM 173 C GLN A 18 -14.300 -2.040 7.410 1.00 0.00 C ATOM 174 O GLN A 18 -13.850 -2.670 8.370 1.00 0.00 O ATOM 175 CB GLN A 18 -16.350 -2.220 5.930 1.00 0.00 C ATOM 176 CG GLN A 18 -16.560 -1.900 4.450 1.00 0.00 C ATOM 177 CD GLN A 18 -15.690 -0.740 3.960 1.00 0.00 C ATOM 178 OE1 GLN A 18 -15.330 0.180 4.680 1.00 0.00 O ATOM 179 NE2 GLN A 18 -15.310 -0.770 2.680 1.00 0.00 N ATOM 0 H GLN A 18 -15.864 -4.602 6.040 1.00 0.00 H new ATOM 0 HA GLN A 18 -14.250 -2.448 5.397 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -17.074 -2.971 6.247 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -16.536 -1.327 6.526 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -16.340 -2.788 3.857 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -17.609 -1.656 4.282 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -15.609 -1.536 2.077 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -14.721 -0.026 2.305 1.00 0.00 H new ATOM 183 N GLY A 19 -14.110 -0.740 7.240 1.00 0.00 N ATOM 184 CA GLY A 19 -13.440 0.160 8.200 1.00 0.00 C ATOM 185 C GLY A 19 -12.160 0.710 7.580 1.00 0.00 C ATOM 186 O GLY A 19 -12.120 1.840 7.090 1.00 0.00 O ATOM 0 H GLY A 19 -14.426 -0.253 6.401 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -14.106 0.979 8.471 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -13.208 -0.379 9.118 1.00 0.00 H new ATOM 188 N VAL A 20 -11.140 -0.150 7.600 1.00 0.00 N ATOM 189 CA VAL A 20 -9.800 0.010 7.010 1.00 0.00 C ATOM 190 C VAL A 20 -9.010 1.110 7.720 1.00 0.00 C ATOM 191 O VAL A 20 -8.090 0.800 8.480 1.00 0.00 O ATOM 192 CB VAL A 20 -9.820 0.110 5.490 1.00 0.00 C ATOM 193 CG1 VAL A 20 -8.400 -0.010 4.920 1.00 0.00 C ATOM 194 CG2 VAL A 20 -10.650 -0.990 4.830 1.00 0.00 C ATOM 0 H VAL A 20 -11.233 -1.052 8.067 1.00 0.00 H new ATOM 0 HA VAL A 20 -9.247 -0.911 7.191 1.00 0.00 H new ATOM 0 HB VAL A 20 -10.264 1.081 5.271 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -8.437 0.064 3.833 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -7.779 0.793 5.318 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -7.974 -0.972 5.204 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -10.625 -0.865 3.748 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -10.237 -1.964 5.092 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -11.681 -0.927 5.179 1.00 0.00 H new ATOM 196 N CYS A 21 -9.390 2.370 7.490 1.00 0.00 N ATOM 197 CA CYS A 21 -8.770 3.580 8.040 1.00 0.00 C ATOM 198 C CYS A 21 -7.240 3.580 8.060 1.00 0.00 C ATOM 199 O CYS A 21 -6.590 4.300 8.820 1.00 0.00 O ATOM 200 CB CYS A 21 -9.370 3.870 9.410 1.00 0.00 C ATOM 201 SG CYS A 21 -11.170 4.200 9.370 1.00 0.00 S ATOM 0 H CYS A 21 -10.181 2.585 6.883 1.00 0.00 H new ATOM 0 HA CYS A 21 -9.005 4.392 7.352 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -9.180 3.021 10.067 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -8.861 4.730 9.845 1.00 0.00 H new ATOM 0 HG CYS A 21 -11.739 3.399 8.519 1.00 0.00 H new ATOM 204 N PHE A 22 -6.710 3.020 6.970 1.00 0.00 N ATOM 205 CA PHE A 22 -5.290 2.660 6.810 1.00 0.00 C ATOM 206 C PHE A 22 -4.340 3.860 6.860 1.00 0.00 C ATOM 207 O PHE A 22 -3.190 3.700 7.270 1.00 0.00 O ATOM 208 CB PHE A 22 -5.160 1.880 5.500 1.00 0.00 C ATOM 209 CG PHE A 22 -3.910 1.010 5.430 1.00 0.00 C ATOM 210 CD1 PHE A 22 -2.750 1.520 4.850 1.00 0.00 C ATOM 211 CD2 PHE A 22 -3.990 -0.320 5.810 1.00 0.00 C ATOM 212 CE1 PHE A 22 -1.660 0.690 4.650 1.00 0.00 C ATOM 213 CE2 PHE A 22 -2.900 -1.160 5.600 1.00 0.00 C ATOM 214 CZ PHE A 22 -1.740 -0.650 5.020 1.00 0.00 C ATOM 0 H PHE A 22 -7.270 2.796 6.147 1.00 0.00 H new ATOM 0 HA PHE A 22 -4.984 2.046 7.657 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -6.040 1.249 5.374 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -5.150 2.583 4.667 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -2.701 2.559 4.558 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -4.891 -0.702 6.266 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -0.754 1.079 4.210 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -2.953 -2.200 5.885 1.00 0.00 H new ATOM 0 HZ PHE A 22 -0.894 -1.301 4.856 1.00 0.00 H new ATOM 216 N ARG A 23 -4.830 5.030 6.470 1.00 0.00 N ATOM 217 CA ARG A 23 -4.160 6.340 6.540 1.00 0.00 C ATOM 218 C ARG A 23 -3.010 6.500 7.520 1.00 0.00 C ATOM 219 O ARG A 23 -1.840 6.460 7.130 1.00 0.00 O ATOM 220 CB ARG A 23 -5.240 7.390 6.780 1.00 0.00 C ATOM 221 CG ARG A 23 -5.820 7.950 5.470 1.00 0.00 C ATOM 222 CD ARG A 23 -4.800 8.820 4.740 1.00 0.00 C ATOM 223 NE ARG A 23 -4.490 10.020 5.530 1.00 0.00 N ATOM 224 CZ ARG A 23 -3.330 10.330 6.110 1.00 0.00 C ATOM 225 NH1 ARG A 23 -2.230 9.560 6.020 1.00 0.00 N ATOM 226 NH2 ARG A 23 -3.260 11.390 6.920 1.00 0.00 N ATOM 0 H ARG A 23 -5.765 5.103 6.070 1.00 0.00 H new ATOM 0 HA ARG A 23 -3.647 6.461 5.586 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -6.044 6.951 7.371 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -4.823 8.208 7.367 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -6.128 7.127 4.825 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -6.713 8.536 5.686 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -3.889 8.250 4.561 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -5.192 9.110 3.765 1.00 0.00 H new ATOM 0 HE ARG A 23 -5.248 10.692 5.648 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -2.258 8.691 5.487 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -1.368 9.846 6.484 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -4.091 11.957 7.092 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -2.376 11.633 7.367 1.00 0.00 H new ATOM 233 N MET A 24 -3.340 6.580 8.810 1.00 0.00 N ATOM 234 CA MET A 24 -2.380 6.790 9.900 1.00 0.00 C ATOM 235 C MET A 24 -1.320 5.690 10.020 1.00 0.00 C ATOM 236 O MET A 24 -0.120 5.980 10.100 1.00 0.00 O ATOM 237 CB MET A 24 -3.140 6.920 11.220 1.00 0.00 C ATOM 238 CG MET A 24 -3.950 8.220 11.280 1.00 0.00 C ATOM 239 SD MET A 24 -5.060 8.320 12.730 1.00 0.00 S ATOM 240 CE MET A 24 -6.360 7.210 12.230 1.00 0.00 C ATOM 0 H MET A 24 -4.303 6.499 9.136 1.00 0.00 H new ATOM 0 HA MET A 24 -1.838 7.706 9.665 1.00 0.00 H new ATOM 0 HB2 MET A 24 -3.809 6.068 11.341 1.00 0.00 H new ATOM 0 HB3 MET A 24 -2.435 6.891 12.051 1.00 0.00 H new ATOM 0 HG2 MET A 24 -3.263 9.066 11.299 1.00 0.00 H new ATOM 0 HG3 MET A 24 -4.544 8.311 10.371 1.00 0.00 H new ATOM 0 HE1 MET A 24 -7.327 7.692 12.378 1.00 0.00 H new ATOM 0 HE2 MET A 24 -6.238 6.957 11.177 1.00 0.00 H new ATOM 0 HE3 MET A 24 -6.313 6.301 12.829 1.00 0.00 H new ATOM 242 N TYR A 25 -1.770 4.450 9.840 1.00 0.00 N ATOM 243 CA TYR A 25 -0.920 3.260 9.860 1.00 0.00 C ATOM 244 C TYR A 25 0.120 3.280 8.730 1.00 0.00 C ATOM 245 O TYR A 25 1.320 3.190 9.000 1.00 0.00 O ATOM 246 CB TYR A 25 -1.830 2.030 9.720 1.00 0.00 C ATOM 247 CG TYR A 25 -1.310 0.870 10.570 1.00 0.00 C ATOM 248 CD1 TYR A 25 -1.640 0.870 11.920 1.00 0.00 C ATOM 249 CD2 TYR A 25 -0.720 -0.230 9.940 1.00 0.00 C ATOM 250 CE1 TYR A 25 -1.400 -0.280 12.670 1.00 0.00 C ATOM 251 CE2 TYR A 25 -0.490 -1.370 10.690 1.00 0.00 C ATOM 252 CZ TYR A 25 -0.850 -1.380 12.030 1.00 0.00 C ATOM 253 OH TYR A 25 -0.910 -2.580 12.690 1.00 0.00 O ATOM 0 H TYR A 25 -2.754 4.240 9.673 1.00 0.00 H new ATOM 0 HA TYR A 25 -0.366 3.231 10.798 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -2.844 2.286 10.027 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -1.880 1.726 8.674 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -2.075 1.745 12.380 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -0.451 -0.191 8.895 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -1.637 -0.313 13.723 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -0.037 -2.240 10.239 1.00 0.00 H new ATOM 0 HH TYR A 25 -0.493 -3.277 12.141 1.00 0.00 H new ATOM 256 N ALA A 26 -0.370 3.600 7.540 1.00 0.00 N ATOM 257 CA ALA A 26 0.430 3.820 6.320 1.00 0.00 C ATOM 258 C ALA A 26 1.580 4.800 6.560 1.00 0.00 C ATOM 259 O ALA A 26 2.720 4.360 6.680 1.00 0.00 O ATOM 260 CB ALA A 26 -0.470 4.270 5.170 1.00 0.00 C ATOM 0 H ALA A 26 -1.370 3.720 7.381 1.00 0.00 H new ATOM 0 HA ALA A 26 0.888 2.871 6.041 1.00 0.00 H new ATOM 0 HB1 ALA A 26 0.134 4.429 4.276 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -1.218 3.502 4.971 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -0.969 5.201 5.441 1.00 0.00 H new ATOM 262 N GLU A 27 1.180 5.980 7.020 1.00 0.00 N ATOM 263 CA GLU A 27 2.060 7.110 7.390 1.00 0.00 C ATOM 264 C GLU A 27 3.170 6.700 8.350 1.00 0.00 C ATOM 265 O GLU A 27 4.330 6.600 7.950 1.00 0.00 O ATOM 266 CB GLU A 27 1.090 8.140 7.970 1.00 0.00 C ATOM 267 CG GLU A 27 1.710 9.510 8.280 1.00 0.00 C ATOM 268 CD GLU A 27 0.670 10.390 8.980 1.00 0.00 C ATOM 269 OE1 GLU A 27 -0.150 10.990 8.260 1.00 0.00 O ATOM 270 OE2 GLU A 27 0.670 10.390 10.230 1.00 0.00 O ATOM 0 H GLU A 27 0.192 6.196 7.155 1.00 0.00 H new ATOM 0 HA GLU A 27 2.618 7.511 6.544 1.00 0.00 H new ATOM 0 HB2 GLU A 27 0.269 8.280 7.267 1.00 0.00 H new ATOM 0 HB3 GLU A 27 0.660 7.736 8.887 1.00 0.00 H new ATOM 0 HG2 GLU A 27 2.588 9.389 8.915 1.00 0.00 H new ATOM 0 HG3 GLU A 27 2.046 9.987 7.359 1.00 0.00 H new ATOM 272 N ASP A 28 2.770 6.200 9.510 1.00 0.00 N ATOM 273 CA ASP A 28 3.660 5.790 10.610 1.00 0.00 C ATOM 274 C ASP A 28 4.640 4.680 10.220 1.00 0.00 C ATOM 275 O ASP A 28 5.860 4.860 10.310 1.00 0.00 O ATOM 276 CB ASP A 28 2.780 5.370 11.790 1.00 0.00 C ATOM 277 CG ASP A 28 3.540 5.050 13.070 1.00 0.00 C ATOM 278 OD1 ASP A 28 4.350 5.910 13.490 1.00 0.00 O ATOM 279 OD2 ASP A 28 3.250 3.980 13.640 1.00 0.00 O ATOM 0 H ASP A 28 1.784 6.060 9.729 1.00 0.00 H new ATOM 0 HA ASP A 28 4.292 6.636 10.880 1.00 0.00 H new ATOM 0 HB2 ASP A 28 2.068 6.169 11.997 1.00 0.00 H new ATOM 0 HB3 ASP A 28 2.200 4.494 11.499 1.00 0.00 H new ATOM 281 N GLU A 29 4.110 3.590 9.680 1.00 0.00 N ATOM 282 CA GLU A 29 4.900 2.420 9.270 1.00 0.00 C ATOM 283 C GLU A 29 5.850 2.740 8.110 1.00 0.00 C ATOM 284 O GLU A 29 7.010 2.330 8.130 1.00 0.00 O ATOM 285 CB GLU A 29 3.950 1.290 8.860 1.00 0.00 C ATOM 286 CG GLU A 29 4.490 -0.100 9.240 1.00 0.00 C ATOM 287 CD GLU A 29 4.100 -0.460 10.670 1.00 0.00 C ATOM 288 OE1 GLU A 29 2.940 -0.890 10.840 1.00 0.00 O ATOM 289 OE2 GLU A 29 4.940 -0.260 11.570 1.00 0.00 O ATOM 0 H GLU A 29 3.110 3.485 9.510 1.00 0.00 H new ATOM 0 HA GLU A 29 5.512 2.116 10.119 1.00 0.00 H new ATOM 0 HB2 GLU A 29 2.982 1.443 9.336 1.00 0.00 H new ATOM 0 HB3 GLU A 29 3.785 1.331 7.783 1.00 0.00 H new ATOM 0 HG2 GLU A 29 4.097 -0.848 8.552 1.00 0.00 H new ATOM 0 HG3 GLU A 29 5.575 -0.113 9.140 1.00 0.00 H new ATOM 291 N ALA A 30 5.370 3.560 7.170 1.00 0.00 N ATOM 292 CA ALA A 30 6.160 4.060 6.030 1.00 0.00 C ATOM 293 C ALA A 30 7.440 4.780 6.460 1.00 0.00 C ATOM 294 O ALA A 30 8.540 4.400 6.040 1.00 0.00 O ATOM 295 CB ALA A 30 5.310 5.010 5.170 1.00 0.00 C ATOM 0 H ALA A 30 4.409 3.902 7.176 1.00 0.00 H new ATOM 0 HA ALA A 30 6.455 3.184 5.452 1.00 0.00 H new ATOM 0 HB1 ALA A 30 5.905 5.372 4.332 1.00 0.00 H new ATOM 0 HB2 ALA A 30 4.438 4.477 4.792 1.00 0.00 H new ATOM 0 HB3 ALA A 30 4.984 5.856 5.776 1.00 0.00 H new ATOM 297 N ARG A 31 7.290 5.680 7.430 1.00 0.00 N ATOM 298 CA ARG A 31 8.390 6.390 8.090 1.00 0.00 C ATOM 299 C ARG A 31 9.450 5.410 8.610 1.00 0.00 C ATOM 300 O ARG A 31 10.570 5.420 8.100 1.00 0.00 O ATOM 301 CB ARG A 31 7.820 7.260 9.210 1.00 0.00 C ATOM 302 CG ARG A 31 6.940 8.380 8.650 1.00 0.00 C ATOM 303 CD ARG A 31 6.150 9.140 9.710 1.00 0.00 C ATOM 304 NE ARG A 31 5.390 10.210 9.050 1.00 0.00 N ATOM 305 CZ ARG A 31 4.510 11.040 9.610 1.00 0.00 C ATOM 306 NH1 ARG A 31 4.170 10.960 10.910 1.00 0.00 N ATOM 307 NH2 ARG A 31 3.950 12.010 8.890 1.00 0.00 N ATOM 0 H ARG A 31 6.374 5.945 7.791 1.00 0.00 H new ATOM 0 HA ARG A 31 8.892 7.033 7.368 1.00 0.00 H new ATOM 0 HB2 ARG A 31 7.236 6.642 9.892 1.00 0.00 H new ATOM 0 HB3 ARG A 31 8.636 7.691 9.790 1.00 0.00 H new ATOM 0 HG2 ARG A 31 7.569 9.085 8.107 1.00 0.00 H new ATOM 0 HG3 ARG A 31 6.243 7.954 7.929 1.00 0.00 H new ATOM 0 HD2 ARG A 31 5.475 8.465 10.235 1.00 0.00 H new ATOM 0 HD3 ARG A 31 6.825 9.560 10.456 1.00 0.00 H new ATOM 0 HE ARG A 31 5.554 10.332 8.051 1.00 0.00 H new ATOM 0 HH11 ARG A 31 4.590 10.245 11.504 1.00 0.00 H new ATOM 0 HH12 ARG A 31 3.492 11.614 11.301 1.00 0.00 H new ATOM 0 HH21 ARG A 31 4.194 12.120 7.906 1.00 0.00 H new ATOM 0 HH22 ARG A 31 3.277 12.643 9.323 1.00 0.00 H new ATOM 314 N LYS A 32 8.990 4.400 9.330 1.00 0.00 N ATOM 315 CA LYS A 32 9.810 3.330 9.910 1.00 0.00 C ATOM 316 C LYS A 32 10.580 2.490 8.880 1.00 0.00 C ATOM 317 O LYS A 32 11.790 2.310 9.020 1.00 0.00 O ATOM 318 CB LYS A 32 8.950 2.380 10.750 1.00 0.00 C ATOM 319 CG LYS A 32 8.230 3.070 11.910 1.00 0.00 C ATOM 320 CD LYS A 32 7.320 2.060 12.620 1.00 0.00 C ATOM 321 CE LYS A 32 6.450 2.730 13.670 1.00 0.00 C ATOM 322 NZ LYS A 32 5.610 1.710 14.310 1.00 0.00 N ATOM 0 H LYS A 32 7.998 4.292 9.539 1.00 0.00 H new ATOM 0 HA LYS A 32 10.545 3.850 10.525 1.00 0.00 H new ATOM 0 HB2 LYS A 32 8.210 1.906 10.105 1.00 0.00 H new ATOM 0 HB3 LYS A 32 9.582 1.586 11.147 1.00 0.00 H new ATOM 0 HG2 LYS A 32 8.957 3.477 12.613 1.00 0.00 H new ATOM 0 HG3 LYS A 32 7.641 3.909 11.539 1.00 0.00 H new ATOM 0 HD2 LYS A 32 6.686 1.562 11.886 1.00 0.00 H new ATOM 0 HD3 LYS A 32 7.930 1.289 13.091 1.00 0.00 H new ATOM 0 HE2 LYS A 32 7.072 3.228 14.414 1.00 0.00 H new ATOM 0 HE3 LYS A 32 5.827 3.498 13.210 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 5.009 2.158 15.031 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 5.009 1.255 13.593 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 6.215 0.994 14.759 1.00 0.00 H new ATOM 327 N ILE A 33 9.880 1.980 7.870 1.00 0.00 N ATOM 328 CA ILE A 33 10.440 1.100 6.830 1.00 0.00 C ATOM 329 C ILE A 33 11.430 1.820 5.920 1.00 0.00 C ATOM 330 O ILE A 33 12.310 1.190 5.340 1.00 0.00 O ATOM 331 CB ILE A 33 9.330 0.400 6.040 1.00 0.00 C ATOM 332 CG1 ILE A 33 8.270 -0.280 6.910 1.00 0.00 C ATOM 333 CG2 ILE A 33 9.850 -0.590 5.010 1.00 0.00 C ATOM 334 CD1 ILE A 33 8.760 -1.290 7.950 1.00 0.00 C ATOM 0 H ILE A 33 8.885 2.167 7.743 1.00 0.00 H new ATOM 0 HA ILE A 33 11.014 0.328 7.342 1.00 0.00 H new ATOM 0 HB ILE A 33 8.847 1.224 5.515 1.00 0.00 H new ATOM 0 HG12 ILE A 33 7.712 0.498 7.431 1.00 0.00 H new ATOM 0 HG13 ILE A 33 7.567 -0.789 6.250 1.00 0.00 H new ATOM 0 HG21 ILE A 33 9.009 -1.048 4.489 1.00 0.00 H new ATOM 0 HG22 ILE A 33 10.482 -0.069 4.291 1.00 0.00 H new ATOM 0 HG23 ILE A 33 10.432 -1.364 5.511 1.00 0.00 H new ATOM 0 HD11 ILE A 33 7.907 -1.694 8.495 1.00 0.00 H new ATOM 0 HD12 ILE A 33 9.288 -2.101 7.449 1.00 0.00 H new ATOM 0 HD13 ILE A 33 9.435 -0.795 8.648 1.00 0.00 H new ATOM 336 N GLY A 34 11.280 3.140 5.800 1.00 0.00 N ATOM 337 CA GLY A 34 12.060 3.980 4.890 1.00 0.00 C ATOM 338 C GLY A 34 11.340 4.190 3.550 1.00 0.00 C ATOM 339 O GLY A 34 11.880 3.920 2.480 1.00 0.00 O ATOM 0 H GLY A 34 10.597 3.667 6.345 1.00 0.00 H new ATOM 0 HA2 GLY A 34 12.247 4.947 5.358 1.00 0.00 H new ATOM 0 HA3 GLY A 34 13.032 3.519 4.712 1.00 0.00 H new ATOM 341 N VAL A 35 10.100 4.660 3.670 1.00 0.00 N ATOM 342 CA VAL A 35 9.220 4.930 2.520 1.00 0.00 C ATOM 343 C VAL A 35 8.900 6.420 2.460 1.00 0.00 C ATOM 344 O VAL A 35 8.570 7.080 3.440 1.00 0.00 O ATOM 345 CB VAL A 35 7.880 4.190 2.590 1.00 0.00 C ATOM 346 CG1 VAL A 35 7.230 4.100 1.210 1.00 0.00 C ATOM 347 CG2 VAL A 35 7.950 2.780 3.170 1.00 0.00 C ATOM 0 H VAL A 35 9.669 4.868 4.571 1.00 0.00 H new ATOM 0 HA VAL A 35 9.764 4.583 1.641 1.00 0.00 H new ATOM 0 HB VAL A 35 7.284 4.792 3.275 1.00 0.00 H new ATOM 0 HG11 VAL A 35 6.281 3.570 1.289 1.00 0.00 H new ATOM 0 HG12 VAL A 35 7.054 5.104 0.824 1.00 0.00 H new ATOM 0 HG13 VAL A 35 7.891 3.561 0.531 1.00 0.00 H new ATOM 0 HG21 VAL A 35 6.953 2.340 3.178 1.00 0.00 H new ATOM 0 HG22 VAL A 35 8.612 2.167 2.558 1.00 0.00 H new ATOM 0 HG23 VAL A 35 8.335 2.824 4.189 1.00 0.00 H new ATOM 349 N VAL A 36 8.900 6.880 1.210 1.00 0.00 N ATOM 350 CA VAL A 36 8.490 8.230 0.810 1.00 0.00 C ATOM 351 C VAL A 36 7.310 8.180 -0.170 1.00 0.00 C ATOM 352 O VAL A 36 6.910 7.100 -0.610 1.00 0.00 O ATOM 353 CB VAL A 36 9.670 9.030 0.250 1.00 0.00 C ATOM 354 CG1 VAL A 36 10.790 9.190 1.280 1.00 0.00 C ATOM 355 CG2 VAL A 36 10.260 8.480 -1.050 1.00 0.00 C ATOM 0 H VAL A 36 9.195 6.306 0.420 1.00 0.00 H new ATOM 0 HA VAL A 36 8.147 8.755 1.702 1.00 0.00 H new ATOM 0 HB VAL A 36 9.236 10.002 0.014 1.00 0.00 H new ATOM 0 HG11 VAL A 36 11.607 9.763 0.843 1.00 0.00 H new ATOM 0 HG12 VAL A 36 10.407 9.714 2.155 1.00 0.00 H new ATOM 0 HG13 VAL A 36 11.155 8.207 1.577 1.00 0.00 H new ATOM 0 HG21 VAL A 36 11.089 9.112 -1.369 1.00 0.00 H new ATOM 0 HG22 VAL A 36 10.620 7.464 -0.885 1.00 0.00 H new ATOM 0 HG23 VAL A 36 9.492 8.472 -1.823 1.00 0.00 H new ATOM 357 N GLY A 37 6.690 9.330 -0.380 1.00 0.00 N ATOM 358 CA GLY A 37 5.600 9.480 -1.360 1.00 0.00 C ATOM 359 C GLY A 37 4.450 10.340 -0.830 1.00 0.00 C ATOM 360 O GLY A 37 4.660 11.360 -0.160 1.00 0.00 O ATOM 0 H GLY A 37 6.920 10.190 0.117 1.00 0.00 H new ATOM 0 HA2 GLY A 37 5.995 9.928 -2.272 1.00 0.00 H new ATOM 0 HA3 GLY A 37 5.219 8.495 -1.628 1.00 0.00 H new ATOM 362 N TRP A 38 3.250 9.830 -1.080 1.00 0.00 N ATOM 363 CA TRP A 38 1.980 10.480 -0.730 1.00 0.00 C ATOM 364 C TRP A 38 0.820 9.480 -0.740 1.00 0.00 C ATOM 365 O TRP A 38 0.840 8.500 -1.480 1.00 0.00 O ATOM 366 CB TRP A 38 1.680 11.660 -1.650 1.00 0.00 C ATOM 367 CG TRP A 38 1.350 11.290 -3.100 1.00 0.00 C ATOM 368 CD1 TRP A 38 2.230 10.990 -4.050 1.00 0.00 C ATOM 369 CD2 TRP A 38 0.080 11.210 -3.660 1.00 0.00 C ATOM 370 NE1 TRP A 38 1.590 10.720 -5.180 1.00 0.00 N ATOM 371 CE2 TRP A 38 0.280 10.840 -4.990 1.00 0.00 C ATOM 372 CE3 TRP A 38 -1.190 11.510 -3.190 1.00 0.00 C ATOM 373 CZ2 TRP A 38 -0.790 10.750 -5.870 1.00 0.00 C ATOM 374 CZ3 TRP A 38 -2.260 11.450 -4.080 1.00 0.00 C ATOM 375 CH2 TRP A 38 -2.060 11.070 -5.410 1.00 0.00 C ATOM 0 H TRP A 38 3.123 8.930 -1.543 1.00 0.00 H new ATOM 0 HA TRP A 38 2.087 10.865 0.284 1.00 0.00 H new ATOM 0 HB2 TRP A 38 0.842 12.220 -1.235 1.00 0.00 H new ATOM 0 HB3 TRP A 38 2.541 12.328 -1.649 1.00 0.00 H new ATOM 0 HD1 TRP A 38 3.302 10.969 -3.921 1.00 0.00 H new ATOM 0 HE1 TRP A 38 2.035 10.460 -6.060 1.00 0.00 H new ATOM 0 HE3 TRP A 38 -1.346 11.784 -2.157 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 -0.637 10.437 -6.892 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 -3.254 11.700 -3.739 1.00 0.00 H new ATOM 0 HH2 TRP A 38 -2.901 11.025 -6.086 1.00 0.00 H new ATOM 378 N VAL A 39 -0.170 9.770 0.090 1.00 0.00 N ATOM 379 CA VAL A 39 -1.370 8.930 0.260 1.00 0.00 C ATOM 380 C VAL A 39 -2.650 9.630 -0.200 1.00 0.00 C ATOM 381 O VAL A 39 -2.910 10.790 0.120 1.00 0.00 O ATOM 382 CB VAL A 39 -1.400 8.420 1.700 1.00 0.00 C ATOM 383 CG1 VAL A 39 -1.630 9.500 2.760 1.00 0.00 C ATOM 384 CG2 VAL A 39 -2.400 7.280 1.880 1.00 0.00 C ATOM 0 H VAL A 39 -0.173 10.604 0.677 1.00 0.00 H new ATOM 0 HA VAL A 39 -1.317 8.063 -0.398 1.00 0.00 H new ATOM 0 HB VAL A 39 -0.391 8.044 1.870 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -1.635 9.043 3.750 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -0.831 10.239 2.706 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -2.588 9.988 2.580 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -2.389 6.947 2.918 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -3.400 7.629 1.621 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -2.126 6.449 1.230 1.00 0.00 H new ATOM 386 N LYS A 40 -3.460 8.860 -0.910 1.00 0.00 N ATOM 387 CA LYS A 40 -4.740 9.300 -1.480 1.00 0.00 C ATOM 388 C LYS A 40 -5.930 8.540 -0.900 1.00 0.00 C ATOM 389 O LYS A 40 -6.120 7.340 -1.090 1.00 0.00 O ATOM 390 CB LYS A 40 -4.700 9.170 -3.000 1.00 0.00 C ATOM 391 CG LYS A 40 -5.910 9.800 -3.690 1.00 0.00 C ATOM 392 CD LYS A 40 -5.840 9.580 -5.210 1.00 0.00 C ATOM 393 CE LYS A 40 -7.130 10.030 -5.890 1.00 0.00 C ATOM 394 NZ LYS A 40 -7.050 9.740 -7.330 1.00 0.00 N ATOM 0 H LYS A 40 -3.246 7.884 -1.116 1.00 0.00 H new ATOM 0 HA LYS A 40 -4.880 10.347 -1.210 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -3.791 9.640 -3.375 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -4.646 8.114 -3.267 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -6.828 9.364 -3.296 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -5.945 10.868 -3.473 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -4.996 10.133 -5.622 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -5.663 8.525 -5.420 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -7.984 9.515 -5.451 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -7.285 11.097 -5.731 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -7.928 10.046 -7.795 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -6.244 10.251 -7.743 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -6.921 8.718 -7.472 1.00 0.00 H new ATOM 399 N ASN A 41 -6.820 9.370 -0.360 1.00 0.00 N ATOM 400 CA ASN A 41 -8.110 8.970 0.240 1.00 0.00 C ATOM 401 C ASN A 41 -9.010 8.380 -0.850 1.00 0.00 C ATOM 402 O ASN A 41 -9.280 9.030 -1.860 1.00 0.00 O ATOM 403 CB ASN A 41 -8.790 10.200 0.840 1.00 0.00 C ATOM 404 CG ASN A 41 -7.900 11.020 1.770 1.00 0.00 C ATOM 405 OD1 ASN A 41 -7.180 10.520 2.630 1.00 0.00 O ATOM 406 ND2 ASN A 41 -7.870 12.330 1.560 1.00 0.00 N ATOM 0 H ASN A 41 -6.666 10.378 -0.322 1.00 0.00 H new ATOM 0 HA ASN A 41 -7.938 8.228 1.020 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -9.136 10.841 0.029 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -9.674 9.879 1.392 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -7.249 12.921 2.113 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -8.468 12.746 0.846 1.00 0.00 H new ATOM 410 N THR A 42 -9.310 7.090 -0.720 1.00 0.00 N ATOM 411 CA THR A 42 -10.090 6.360 -1.730 1.00 0.00 C ATOM 412 C THR A 42 -11.520 6.140 -1.260 1.00 0.00 C ATOM 413 O THR A 42 -12.160 7.050 -0.730 1.00 0.00 O ATOM 414 CB THR A 42 -9.380 5.070 -2.140 1.00 0.00 C ATOM 415 OG1 THR A 42 -7.970 5.170 -1.960 1.00 0.00 O ATOM 416 CG2 THR A 42 -9.670 4.730 -3.600 1.00 0.00 C ATOM 0 H THR A 42 -9.025 6.521 0.078 1.00 0.00 H new ATOM 0 HA THR A 42 -10.158 6.969 -2.631 1.00 0.00 H new ATOM 0 HB THR A 42 -9.764 4.278 -1.497 1.00 0.00 H new ATOM 0 HG1 THR A 42 -7.534 4.382 -2.346 1.00 0.00 H new ATOM 0 HG21 THR A 42 -9.154 3.808 -3.868 1.00 0.00 H new ATOM 0 HG22 THR A 42 -10.743 4.598 -3.737 1.00 0.00 H new ATOM 0 HG23 THR A 42 -9.320 5.541 -4.239 1.00 0.00 H new ATOM 419 N SER A 43 -12.020 4.910 -1.340 1.00 0.00 N ATOM 420 CA SER A 43 -13.410 4.560 -1.050 1.00 0.00 C ATOM 421 C SER A 43 -13.510 3.800 0.280 1.00 0.00 C ATOM 422 O SER A 43 -12.880 2.760 0.440 1.00 0.00 O ATOM 423 CB SER A 43 -14.000 3.700 -2.170 1.00 0.00 C ATOM 424 OG SER A 43 -14.120 4.480 -3.360 1.00 0.00 O ATOM 0 H SER A 43 -11.455 4.107 -1.616 1.00 0.00 H new ATOM 0 HA SER A 43 -13.977 5.488 -0.978 1.00 0.00 H new ATOM 0 HB2 SER A 43 -13.362 2.835 -2.353 1.00 0.00 H new ATOM 0 HB3 SER A 43 -14.977 3.318 -1.873 1.00 0.00 H new ATOM 0 HG SER A 43 -14.496 3.928 -4.077 1.00 0.00 H new ATOM 427 N LYS A 44 -14.060 4.510 1.260 1.00 0.00 N ATOM 428 CA LYS A 44 -14.310 4.040 2.620 1.00 0.00 C ATOM 429 C LYS A 44 -13.130 3.370 3.320 1.00 0.00 C ATOM 430 O LYS A 44 -12.870 2.180 3.160 1.00 0.00 O ATOM 431 CB LYS A 44 -15.560 3.160 2.690 1.00 0.00 C ATOM 432 CG LYS A 44 -16.790 3.930 3.170 1.00 0.00 C ATOM 433 CD LYS A 44 -16.680 4.280 4.660 1.00 0.00 C ATOM 434 CE LYS A 44 -17.880 5.060 5.180 1.00 0.00 C ATOM 435 NZ LYS A 44 -19.100 4.240 5.160 1.00 0.00 N ATOM 0 H LYS A 44 -14.358 5.476 1.122 1.00 0.00 H new ATOM 0 HA LYS A 44 -14.478 4.956 3.185 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -15.760 2.739 1.705 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -15.374 2.323 3.362 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -16.901 4.844 2.586 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -17.686 3.333 2.999 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -16.574 3.361 5.236 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -15.775 4.865 4.824 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -17.683 5.398 6.197 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -18.029 5.952 4.571 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -19.873 4.756 5.628 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -19.366 4.037 4.175 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -18.926 3.346 5.663 1.00 0.00 H new ATOM 440 N GLY A 45 -12.320 4.240 3.930 1.00 0.00 N ATOM 441 CA GLY A 45 -11.130 3.860 4.710 1.00 0.00 C ATOM 442 C GLY A 45 -9.910 3.420 3.910 1.00 0.00 C ATOM 443 O GLY A 45 -8.790 3.460 4.430 1.00 0.00 O ATOM 0 H GLY A 45 -12.473 5.248 3.897 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -10.844 4.708 5.332 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -11.407 3.050 5.384 1.00 0.00 H new ATOM 445 N THR A 46 -10.150 2.810 2.750 1.00 0.00 N ATOM 446 CA THR A 46 -9.110 2.380 1.810 1.00 0.00 C ATOM 447 C THR A 46 -8.260 3.550 1.320 1.00 0.00 C ATOM 448 O THR A 46 -8.710 4.690 1.210 1.00 0.00 O ATOM 449 CB THR A 46 -9.610 1.650 0.560 1.00 0.00 C ATOM 450 OG1 THR A 46 -10.320 2.540 -0.310 1.00 0.00 O ATOM 451 CG2 THR A 46 -10.470 0.420 0.890 1.00 0.00 C ATOM 0 H THR A 46 -11.094 2.595 2.428 1.00 0.00 H new ATOM 0 HA THR A 46 -8.532 1.676 2.409 1.00 0.00 H new ATOM 0 HB THR A 46 -8.721 1.287 0.043 1.00 0.00 H new ATOM 0 HG1 THR A 46 -11.170 2.794 0.105 1.00 0.00 H new ATOM 0 HG21 THR A 46 -10.795 -0.056 -0.035 1.00 0.00 H new ATOM 0 HG22 THR A 46 -9.883 -0.288 1.475 1.00 0.00 H new ATOM 0 HG23 THR A 46 -11.343 0.730 1.465 1.00 0.00 H new ATOM 454 N VAL A 47 -7.000 3.190 1.080 1.00 0.00 N ATOM 455 CA VAL A 47 -6.000 4.150 0.580 1.00 0.00 C ATOM 456 C VAL A 47 -5.160 3.610 -0.590 1.00 0.00 C ATOM 457 O VAL A 47 -4.830 2.430 -0.670 1.00 0.00 O ATOM 458 CB VAL A 47 -5.090 4.730 1.660 1.00 0.00 C ATOM 459 CG1 VAL A 47 -5.880 5.670 2.580 1.00 0.00 C ATOM 460 CG2 VAL A 47 -4.310 3.680 2.450 1.00 0.00 C ATOM 0 H VAL A 47 -6.642 2.245 1.221 1.00 0.00 H new ATOM 0 HA VAL A 47 -6.611 4.970 0.203 1.00 0.00 H new ATOM 0 HB VAL A 47 -4.326 5.308 1.140 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -5.216 6.074 3.344 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -6.298 6.488 1.993 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -6.688 5.117 3.058 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -3.688 4.174 3.197 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -5.008 3.006 2.947 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -3.677 3.110 1.770 1.00 0.00 H new ATOM 462 N THR A 48 -5.250 4.450 -1.620 1.00 0.00 N ATOM 463 CA THR A 48 -4.290 4.520 -2.730 1.00 0.00 C ATOM 464 C THR A 48 -3.210 5.560 -2.420 1.00 0.00 C ATOM 465 O THR A 48 -3.070 6.030 -1.300 1.00 0.00 O ATOM 466 CB THR A 48 -5.020 4.690 -4.060 1.00 0.00 C ATOM 467 OG1 THR A 48 -4.120 4.690 -5.160 1.00 0.00 O ATOM 468 CG2 THR A 48 -5.910 5.940 -4.150 1.00 0.00 C ATOM 0 H THR A 48 -6.013 5.121 -1.712 1.00 0.00 H new ATOM 0 HA THR A 48 -3.750 3.579 -2.840 1.00 0.00 H new ATOM 0 HB THR A 48 -5.678 3.822 -4.108 1.00 0.00 H new ATOM 0 HG1 THR A 48 -3.564 3.883 -5.128 1.00 0.00 H new ATOM 0 HG21 THR A 48 -6.388 5.977 -5.129 1.00 0.00 H new ATOM 0 HG22 THR A 48 -6.675 5.899 -3.375 1.00 0.00 H new ATOM 0 HG23 THR A 48 -5.300 6.832 -4.010 1.00 0.00 H new ATOM 471 N GLY A 49 -2.380 5.830 -3.430 1.00 0.00 N ATOM 472 CA GLY A 49 -1.210 6.710 -3.390 1.00 0.00 C ATOM 473 C GLY A 49 0.030 6.010 -3.960 1.00 0.00 C ATOM 474 O GLY A 49 -0.060 5.030 -4.700 1.00 0.00 O ATOM 0 H GLY A 49 -2.515 5.416 -4.352 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -1.414 7.616 -3.960 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -1.017 7.017 -2.362 1.00 0.00 H new ATOM 476 N GLN A 50 1.170 6.510 -3.510 1.00 0.00 N ATOM 477 CA GLN A 50 2.510 6.130 -3.980 1.00 0.00 C ATOM 478 C GLN A 50 3.470 5.810 -2.830 1.00 0.00 C ATOM 479 O GLN A 50 3.840 6.680 -2.050 1.00 0.00 O ATOM 480 CB GLN A 50 3.090 7.290 -4.810 1.00 0.00 C ATOM 481 CG GLN A 50 2.530 7.360 -6.230 1.00 0.00 C ATOM 482 CD GLN A 50 3.460 6.710 -7.250 1.00 0.00 C ATOM 483 OE1 GLN A 50 4.690 6.800 -7.190 1.00 0.00 O ATOM 484 NE2 GLN A 50 2.880 6.110 -8.290 1.00 0.00 N ATOM 0 H GLN A 50 1.198 7.220 -2.778 1.00 0.00 H new ATOM 0 HA GLN A 50 2.407 5.225 -4.579 1.00 0.00 H new ATOM 0 HB2 GLN A 50 2.884 8.231 -4.299 1.00 0.00 H new ATOM 0 HB3 GLN A 50 4.174 7.185 -4.860 1.00 0.00 H new ATOM 0 HG2 GLN A 50 1.559 6.866 -6.260 1.00 0.00 H new ATOM 0 HG3 GLN A 50 2.366 8.402 -6.503 1.00 0.00 H new ATOM 0 HE21 GLN A 50 1.864 6.038 -8.335 1.00 0.00 H new ATOM 0 HE22 GLN A 50 3.453 5.723 -9.040 1.00 0.00 H new ATOM 488 N VAL A 51 3.780 4.520 -2.730 1.00 0.00 N ATOM 489 CA VAL A 51 4.810 3.980 -1.830 1.00 0.00 C ATOM 490 C VAL A 51 6.130 3.850 -2.590 1.00 0.00 C ATOM 491 O VAL A 51 6.350 2.910 -3.350 1.00 0.00 O ATOM 492 CB VAL A 51 4.280 2.700 -1.160 1.00 0.00 C ATOM 493 CG1 VAL A 51 5.280 1.570 -0.880 1.00 0.00 C ATOM 494 CG2 VAL A 51 3.600 3.060 0.150 1.00 0.00 C ATOM 0 H VAL A 51 3.315 3.800 -3.283 1.00 0.00 H new ATOM 0 HA VAL A 51 5.033 4.654 -1.003 1.00 0.00 H new ATOM 0 HB VAL A 51 3.604 2.290 -1.911 1.00 0.00 H new ATOM 0 HG11 VAL A 51 4.763 0.735 -0.407 1.00 0.00 H new ATOM 0 HG12 VAL A 51 5.724 1.237 -1.818 1.00 0.00 H new ATOM 0 HG13 VAL A 51 6.064 1.934 -0.216 1.00 0.00 H new ATOM 0 HG21 VAL A 51 3.224 2.154 0.626 1.00 0.00 H new ATOM 0 HG22 VAL A 51 4.318 3.546 0.811 1.00 0.00 H new ATOM 0 HG23 VAL A 51 2.770 3.739 -0.046 1.00 0.00 H new ATOM 496 N GLN A 52 6.960 4.870 -2.390 1.00 0.00 N ATOM 497 CA GLN A 52 8.280 5.020 -3.020 1.00 0.00 C ATOM 498 C GLN A 52 9.370 4.610 -2.030 1.00 0.00 C ATOM 499 O GLN A 52 9.580 5.260 -1.000 1.00 0.00 O ATOM 500 CB GLN A 52 8.510 6.460 -3.460 1.00 0.00 C ATOM 501 CG GLN A 52 7.430 7.050 -4.370 1.00 0.00 C ATOM 502 CD GLN A 52 7.750 8.460 -4.880 1.00 0.00 C ATOM 503 OE1 GLN A 52 8.790 9.070 -4.610 1.00 0.00 O ATOM 504 NE2 GLN A 52 6.880 8.980 -5.730 1.00 0.00 N ATOM 0 H GLN A 52 6.730 5.643 -1.766 1.00 0.00 H new ATOM 0 HA GLN A 52 8.318 4.377 -3.900 1.00 0.00 H new ATOM 0 HB2 GLN A 52 8.593 7.085 -2.571 1.00 0.00 H new ATOM 0 HB3 GLN A 52 9.467 6.515 -3.978 1.00 0.00 H new ATOM 0 HG2 GLN A 52 7.288 6.389 -5.225 1.00 0.00 H new ATOM 0 HG3 GLN A 52 6.485 7.076 -3.827 1.00 0.00 H new ATOM 0 HE21 GLN A 52 6.021 8.476 -5.953 1.00 0.00 H new ATOM 0 HE22 GLN A 52 7.068 9.884 -6.163 1.00 0.00 H new ATOM 508 N GLY A 53 9.960 3.450 -2.310 1.00 0.00 N ATOM 509 CA GLY A 53 11.030 2.840 -1.510 1.00 0.00 C ATOM 510 C GLY A 53 12.190 2.290 -2.350 1.00 0.00 C ATOM 511 O GLY A 53 11.970 1.870 -3.490 1.00 0.00 O ATOM 0 H GLY A 53 9.702 2.889 -3.122 1.00 0.00 H new ATOM 0 HA2 GLY A 53 11.418 3.582 -0.812 1.00 0.00 H new ATOM 0 HA3 GLY A 53 10.609 2.031 -0.913 1.00 0.00 H new ATOM 513 N PRO A 54 13.410 2.260 -1.820 1.00 0.00 N ATOM 514 CA PRO A 54 14.550 1.660 -2.520 1.00 0.00 C ATOM 515 C PRO A 54 14.450 0.130 -2.530 1.00 0.00 C ATOM 516 O PRO A 54 13.950 -0.470 -1.580 1.00 0.00 O ATOM 517 CB PRO A 54 15.780 2.160 -1.770 1.00 0.00 C ATOM 518 CG PRO A 54 15.270 2.380 -0.350 1.00 0.00 C ATOM 519 CD PRO A 54 13.820 2.830 -0.530 1.00 0.00 C ATOM 0 HA PRO A 54 14.589 1.945 -3.571 1.00 0.00 H new ATOM 0 HB2 PRO A 54 16.590 1.431 -1.797 1.00 0.00 H new ATOM 0 HB3 PRO A 54 16.167 3.082 -2.204 1.00 0.00 H new ATOM 0 HG2 PRO A 54 15.332 1.466 0.240 1.00 0.00 H new ATOM 0 HG3 PRO A 54 15.858 3.136 0.171 1.00 0.00 H new ATOM 0 HD2 PRO A 54 13.189 2.467 0.282 1.00 0.00 H new ATOM 0 HD3 PRO A 54 13.740 3.917 -0.534 1.00 0.00 H new ATOM 520 N GLU A 55 15.060 -0.470 -3.550 1.00 0.00 N ATOM 521 CA GLU A 55 14.980 -1.910 -3.840 1.00 0.00 C ATOM 522 C GLU A 55 15.020 -2.880 -2.660 1.00 0.00 C ATOM 523 O GLU A 55 14.150 -3.740 -2.550 1.00 0.00 O ATOM 524 CB GLU A 55 16.010 -2.340 -4.880 1.00 0.00 C ATOM 525 CG GLU A 55 15.580 -1.970 -6.300 1.00 0.00 C ATOM 526 CD GLU A 55 16.590 -2.490 -7.330 1.00 0.00 C ATOM 527 OE1 GLU A 55 17.720 -1.960 -7.340 1.00 0.00 O ATOM 528 OE2 GLU A 55 16.220 -3.440 -8.050 1.00 0.00 O ATOM 0 H GLU A 55 15.639 0.040 -4.217 1.00 0.00 H new ATOM 0 HA GLU A 55 13.964 -1.994 -4.227 1.00 0.00 H new ATOM 0 HB2 GLU A 55 16.968 -1.870 -4.657 1.00 0.00 H new ATOM 0 HB3 GLU A 55 16.161 -3.418 -4.816 1.00 0.00 H new ATOM 0 HG2 GLU A 55 14.595 -2.389 -6.507 1.00 0.00 H new ATOM 0 HG3 GLU A 55 15.491 -0.887 -6.387 1.00 0.00 H new ATOM 530 N GLU A 56 15.980 -2.720 -1.750 1.00 0.00 N ATOM 531 CA GLU A 56 16.080 -3.580 -0.560 1.00 0.00 C ATOM 532 C GLU A 56 14.850 -3.430 0.350 1.00 0.00 C ATOM 533 O GLU A 56 14.070 -4.370 0.480 1.00 0.00 O ATOM 534 CB GLU A 56 17.390 -3.290 0.170 1.00 0.00 C ATOM 535 CG GLU A 56 17.790 -4.340 1.200 1.00 0.00 C ATOM 536 CD GLU A 56 16.880 -4.380 2.430 1.00 0.00 C ATOM 537 OE1 GLU A 56 16.930 -3.390 3.200 1.00 0.00 O ATOM 538 OE2 GLU A 56 16.090 -5.340 2.530 1.00 0.00 O ATOM 0 H GLU A 56 16.703 -2.003 -1.810 1.00 0.00 H new ATOM 0 HA GLU A 56 16.092 -4.624 -0.873 1.00 0.00 H new ATOM 0 HB2 GLU A 56 18.189 -3.200 -0.566 1.00 0.00 H new ATOM 0 HB3 GLU A 56 17.306 -2.324 0.669 1.00 0.00 H new ATOM 0 HG2 GLU A 56 17.786 -5.321 0.725 1.00 0.00 H new ATOM 0 HG3 GLU A 56 18.813 -4.147 1.523 1.00 0.00 H new ATOM 540 N LYS A 57 14.650 -2.230 0.880 1.00 0.00 N ATOM 541 CA LYS A 57 13.580 -1.920 1.840 1.00 0.00 C ATOM 542 C LYS A 57 12.170 -2.180 1.310 1.00 0.00 C ATOM 543 O LYS A 57 11.300 -2.650 2.040 1.00 0.00 O ATOM 544 CB LYS A 57 13.690 -0.460 2.290 1.00 0.00 C ATOM 545 CG LYS A 57 15.010 -0.190 3.010 1.00 0.00 C ATOM 546 CD LYS A 57 15.210 1.310 3.260 1.00 0.00 C ATOM 547 CE LYS A 57 16.650 1.600 3.690 1.00 0.00 C ATOM 548 NZ LYS A 57 16.860 3.050 3.730 1.00 0.00 N ATOM 0 H LYS A 57 15.234 -1.425 0.655 1.00 0.00 H new ATOM 0 HA LYS A 57 13.726 -2.600 2.679 1.00 0.00 H new ATOM 0 HB2 LYS A 57 13.607 0.195 1.423 1.00 0.00 H new ATOM 0 HB3 LYS A 57 12.858 -0.219 2.952 1.00 0.00 H new ATOM 0 HG2 LYS A 57 15.025 -0.725 3.960 1.00 0.00 H new ATOM 0 HG3 LYS A 57 15.837 -0.575 2.414 1.00 0.00 H new ATOM 0 HD2 LYS A 57 14.976 1.869 2.354 1.00 0.00 H new ATOM 0 HD3 LYS A 57 14.519 1.650 4.032 1.00 0.00 H new ATOM 0 HE2 LYS A 57 16.843 1.166 4.671 1.00 0.00 H new ATOM 0 HE3 LYS A 57 17.350 1.139 2.993 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 17.838 3.251 4.022 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 16.691 3.451 2.786 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 16.200 3.478 4.411 1.00 0.00 H new ATOM 553 N VAL A 58 12.000 -2.010 0.000 1.00 0.00 N ATOM 554 CA VAL A 58 10.700 -2.160 -0.680 1.00 0.00 C ATOM 555 C VAL A 58 10.010 -3.510 -0.470 1.00 0.00 C ATOM 556 O VAL A 58 8.810 -3.540 -0.210 1.00 0.00 O ATOM 557 CB VAL A 58 10.770 -1.670 -2.130 1.00 0.00 C ATOM 558 CG1 VAL A 58 11.310 -2.720 -3.100 1.00 0.00 C ATOM 559 CG2 VAL A 58 9.390 -1.170 -2.580 1.00 0.00 C ATOM 0 H VAL A 58 12.762 -1.762 -0.631 1.00 0.00 H new ATOM 0 HA VAL A 58 10.006 -1.489 -0.173 1.00 0.00 H new ATOM 0 HB VAL A 58 11.484 -0.847 -2.152 1.00 0.00 H new ATOM 0 HG11 VAL A 58 11.333 -2.306 -4.108 1.00 0.00 H new ATOM 0 HG12 VAL A 58 12.319 -3.006 -2.802 1.00 0.00 H new ATOM 0 HG13 VAL A 58 10.664 -3.598 -3.082 1.00 0.00 H new ATOM 0 HG21 VAL A 58 9.447 -0.823 -3.612 1.00 0.00 H new ATOM 0 HG22 VAL A 58 8.668 -1.983 -2.510 1.00 0.00 H new ATOM 0 HG23 VAL A 58 9.074 -0.348 -1.938 1.00 0.00 H new ATOM 561 N ASN A 59 10.800 -4.570 -0.390 1.00 0.00 N ATOM 562 CA ASN A 59 10.310 -5.930 -0.130 1.00 0.00 C ATOM 563 C ASN A 59 9.440 -6.030 1.130 1.00 0.00 C ATOM 564 O ASN A 59 8.330 -6.550 1.090 1.00 0.00 O ATOM 565 CB ASN A 59 11.490 -6.900 -0.160 1.00 0.00 C ATOM 566 CG ASN A 59 12.020 -7.380 1.190 1.00 0.00 C ATOM 567 OD1 ASN A 59 11.480 -8.290 1.820 1.00 0.00 O ATOM 568 ND2 ASN A 59 13.050 -6.730 1.740 1.00 0.00 N ATOM 0 H ASN A 59 11.812 -4.517 -0.504 1.00 0.00 H new ATOM 0 HA ASN A 59 9.623 -6.218 -0.926 1.00 0.00 H new ATOM 0 HB2 ASN A 59 11.196 -7.775 -0.740 1.00 0.00 H new ATOM 0 HB3 ASN A 59 12.310 -6.422 -0.696 1.00 0.00 H new ATOM 0 HD21 ASN A 59 13.379 -6.990 2.670 1.00 0.00 H new ATOM 0 HD22 ASN A 59 13.507 -5.974 1.230 1.00 0.00 H new ATOM 572 N SER A 60 9.890 -5.320 2.160 1.00 0.00 N ATOM 573 CA SER A 60 9.200 -5.210 3.460 1.00 0.00 C ATOM 574 C SER A 60 7.880 -4.450 3.390 1.00 0.00 C ATOM 575 O SER A 60 6.830 -5.030 3.660 1.00 0.00 O ATOM 576 CB SER A 60 10.140 -4.560 4.480 1.00 0.00 C ATOM 577 OG SER A 60 9.460 -4.340 5.720 1.00 0.00 O ATOM 0 H SER A 60 10.761 -4.791 2.123 1.00 0.00 H new ATOM 0 HA SER A 60 8.943 -6.222 3.771 1.00 0.00 H new ATOM 0 HB2 SER A 60 11.008 -5.199 4.643 1.00 0.00 H new ATOM 0 HB3 SER A 60 10.511 -3.613 4.089 1.00 0.00 H new ATOM 0 HG SER A 60 10.075 -3.926 6.361 1.00 0.00 H new ATOM 580 N MET A 61 7.920 -3.230 2.860 1.00 0.00 N ATOM 581 CA MET A 61 6.730 -2.370 2.750 1.00 0.00 C ATOM 582 C MET A 61 5.580 -2.980 1.950 1.00 0.00 C ATOM 583 O MET A 61 4.440 -2.930 2.410 1.00 0.00 O ATOM 584 CB MET A 61 7.080 -0.950 2.310 1.00 0.00 C ATOM 585 CG MET A 61 7.670 -0.850 0.900 1.00 0.00 C ATOM 586 SD MET A 61 8.450 0.750 0.440 1.00 0.00 S ATOM 587 CE MET A 61 9.960 0.690 1.380 1.00 0.00 C ATOM 0 H MET A 61 8.772 -2.805 2.494 1.00 0.00 H new ATOM 0 HA MET A 61 6.338 -2.296 3.764 1.00 0.00 H new ATOM 0 HB2 MET A 61 6.181 -0.336 2.358 1.00 0.00 H new ATOM 0 HB3 MET A 61 7.792 -0.528 3.019 1.00 0.00 H new ATOM 0 HG2 MET A 61 8.416 -1.637 0.787 1.00 0.00 H new ATOM 0 HG3 MET A 61 6.876 -1.059 0.184 1.00 0.00 H new ATOM 0 HE1 MET A 61 10.208 1.690 1.735 1.00 0.00 H new ATOM 0 HE2 MET A 61 9.831 0.024 2.233 1.00 0.00 H new ATOM 0 HE3 MET A 61 10.767 0.319 0.748 1.00 0.00 H new ATOM 589 N LYS A 62 5.920 -3.710 0.900 1.00 0.00 N ATOM 590 CA LYS A 62 4.990 -4.530 0.100 1.00 0.00 C ATOM 591 C LYS A 62 4.170 -5.480 0.980 1.00 0.00 C ATOM 592 O LYS A 62 2.980 -5.250 1.190 1.00 0.00 O ATOM 593 CB LYS A 62 5.760 -5.310 -0.970 1.00 0.00 C ATOM 594 CG LYS A 62 6.320 -4.430 -2.080 1.00 0.00 C ATOM 595 CD LYS A 62 7.340 -5.210 -2.910 1.00 0.00 C ATOM 596 CE LYS A 62 7.940 -4.340 -4.020 1.00 0.00 C ATOM 597 NZ LYS A 62 9.080 -5.030 -4.640 1.00 0.00 N ATOM 0 H LYS A 62 6.880 -3.758 0.560 1.00 0.00 H new ATOM 0 HA LYS A 62 4.287 -3.856 -0.391 1.00 0.00 H new ATOM 0 HB2 LYS A 62 6.580 -5.848 -0.496 1.00 0.00 H new ATOM 0 HB3 LYS A 62 5.099 -6.058 -1.409 1.00 0.00 H new ATOM 0 HG2 LYS A 62 5.510 -4.081 -2.721 1.00 0.00 H new ATOM 0 HG3 LYS A 62 6.790 -3.546 -1.650 1.00 0.00 H new ATOM 0 HD2 LYS A 62 8.136 -5.575 -2.261 1.00 0.00 H new ATOM 0 HD3 LYS A 62 6.861 -6.085 -3.350 1.00 0.00 H new ATOM 0 HE2 LYS A 62 7.182 -4.124 -4.773 1.00 0.00 H new ATOM 0 HE3 LYS A 62 8.263 -3.384 -3.609 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 9.593 -4.368 -5.256 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 9.720 -5.380 -3.898 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 8.735 -5.832 -5.205 1.00 0.00 H new ATOM 602 N SER A 63 4.870 -6.380 1.670 1.00 0.00 N ATOM 603 CA SER A 63 4.260 -7.350 2.590 1.00 0.00 C ATOM 604 C SER A 63 3.370 -6.720 3.660 1.00 0.00 C ATOM 605 O SER A 63 2.230 -7.150 3.840 1.00 0.00 O ATOM 606 CB SER A 63 5.340 -8.210 3.260 1.00 0.00 C ATOM 607 OG SER A 63 5.940 -9.040 2.270 1.00 0.00 O ATOM 0 H SER A 63 5.885 -6.460 1.608 1.00 0.00 H new ATOM 0 HA SER A 63 3.611 -7.970 1.972 1.00 0.00 H new ATOM 0 HB2 SER A 63 6.092 -7.575 3.728 1.00 0.00 H new ATOM 0 HB3 SER A 63 4.902 -8.820 4.050 1.00 0.00 H new ATOM 0 HG SER A 63 6.634 -9.594 2.684 1.00 0.00 H new ATOM 610 N TRP A 64 3.850 -5.620 4.250 1.00 0.00 N ATOM 611 CA TRP A 64 3.090 -4.830 5.230 1.00 0.00 C ATOM 612 C TRP A 64 1.750 -4.290 4.710 1.00 0.00 C ATOM 613 O TRP A 64 0.720 -4.580 5.310 1.00 0.00 O ATOM 614 CB TRP A 64 4.010 -3.760 5.830 1.00 0.00 C ATOM 615 CG TRP A 64 3.320 -2.520 6.410 1.00 0.00 C ATOM 616 CD1 TRP A 64 2.300 -2.510 7.260 1.00 0.00 C ATOM 617 CD2 TRP A 64 3.350 -1.280 5.800 1.00 0.00 C ATOM 618 NE1 TRP A 64 1.620 -1.380 7.150 1.00 0.00 N ATOM 619 CE2 TRP A 64 2.230 -0.590 6.260 1.00 0.00 C ATOM 620 CE3 TRP A 64 4.270 -0.650 4.960 1.00 0.00 C ATOM 621 CZ2 TRP A 64 2.000 0.720 5.860 1.00 0.00 C ATOM 622 CZ3 TRP A 64 4.050 0.660 4.580 1.00 0.00 C ATOM 623 CH2 TRP A 64 2.910 1.340 5.030 1.00 0.00 C ATOM 0 H TRP A 64 4.781 -5.249 4.061 1.00 0.00 H new ATOM 0 HA TRP A 64 2.772 -5.498 6.030 1.00 0.00 H new ATOM 0 HB2 TRP A 64 4.603 -4.222 6.619 1.00 0.00 H new ATOM 0 HB3 TRP A 64 4.706 -3.434 5.057 1.00 0.00 H new ATOM 0 HD1 TRP A 64 2.059 -3.310 7.944 1.00 0.00 H new ATOM 0 HE1 TRP A 64 0.768 -1.149 7.661 1.00 0.00 H new ATOM 0 HE3 TRP A 64 5.144 -1.181 4.611 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 1.119 1.247 6.195 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 4.757 1.161 3.935 1.00 0.00 H new ATOM 0 HH2 TRP A 64 2.742 2.362 4.723 1.00 0.00 H new ATOM 626 N LEU A 65 1.760 -3.580 3.590 1.00 0.00 N ATOM 627 CA LEU A 65 0.550 -3.020 2.970 1.00 0.00 C ATOM 628 C LEU A 65 -0.590 -4.020 2.750 1.00 0.00 C ATOM 629 O LEU A 65 -1.740 -3.640 2.570 1.00 0.00 O ATOM 630 CB LEU A 65 0.910 -2.350 1.630 1.00 0.00 C ATOM 631 CG LEU A 65 1.720 -1.070 1.830 1.00 0.00 C ATOM 632 CD1 LEU A 65 2.600 -0.810 0.610 1.00 0.00 C ATOM 633 CD2 LEU A 65 0.820 0.130 2.110 1.00 0.00 C ATOM 0 H LEU A 65 2.615 -3.370 3.075 1.00 0.00 H new ATOM 0 HA LEU A 65 0.171 -2.293 3.688 1.00 0.00 H new ATOM 0 HB2 LEU A 65 1.480 -3.048 1.017 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -0.004 -2.119 1.083 1.00 0.00 H new ATOM 0 HG LEU A 65 2.356 -1.209 2.704 1.00 0.00 H new ATOM 0 HD11 LEU A 65 3.173 0.105 0.763 1.00 0.00 H new ATOM 0 HD12 LEU A 65 3.284 -1.647 0.469 1.00 0.00 H new ATOM 0 HD13 LEU A 65 1.973 -0.701 -0.275 1.00 0.00 H new ATOM 0 HD21 LEU A 65 1.433 1.021 2.246 1.00 0.00 H new ATOM 0 HD22 LEU A 65 0.143 0.281 1.269 1.00 0.00 H new ATOM 0 HD23 LEU A 65 0.240 -0.053 3.015 1.00 0.00 H new ATOM 635 N SER A 66 -0.180 -5.270 2.550 1.00 0.00 N ATOM 636 CA SER A 66 -1.060 -6.450 2.580 1.00 0.00 C ATOM 637 C SER A 66 -1.400 -6.960 3.980 1.00 0.00 C ATOM 638 O SER A 66 -2.510 -6.750 4.460 1.00 0.00 O ATOM 639 CB SER A 66 -0.440 -7.560 1.730 1.00 0.00 C ATOM 640 OG SER A 66 -0.890 -7.420 0.380 1.00 0.00 O ATOM 0 H SER A 66 0.794 -5.503 2.358 1.00 0.00 H new ATOM 0 HA SER A 66 -2.016 -6.134 2.164 1.00 0.00 H new ATOM 0 HB2 SER A 66 0.648 -7.503 1.772 1.00 0.00 H new ATOM 0 HB3 SER A 66 -0.723 -8.537 2.122 1.00 0.00 H new ATOM 0 HG SER A 66 -0.214 -6.939 -0.142 1.00 0.00 H new ATOM 643 N LYS A 67 -0.420 -7.530 4.670 1.00 0.00 N ATOM 644 CA LYS A 67 -0.560 -8.240 5.950 1.00 0.00 C ATOM 645 C LYS A 67 -1.030 -7.420 7.150 1.00 0.00 C ATOM 646 O LYS A 67 -1.530 -7.970 8.130 1.00 0.00 O ATOM 647 CB LYS A 67 0.750 -8.960 6.270 1.00 0.00 C ATOM 648 CG LYS A 67 1.030 -10.100 5.300 1.00 0.00 C ATOM 649 CD LYS A 67 2.380 -10.760 5.580 1.00 0.00 C ATOM 650 CE LYS A 67 2.630 -11.970 4.670 1.00 0.00 C ATOM 651 NZ LYS A 67 2.800 -11.570 3.270 1.00 0.00 N ATOM 0 H LYS A 67 0.545 -7.513 4.341 1.00 0.00 H new ATOM 0 HA LYS A 67 -1.381 -8.939 5.791 1.00 0.00 H new ATOM 0 HB2 LYS A 67 1.573 -8.246 6.237 1.00 0.00 H new ATOM 0 HB3 LYS A 67 0.709 -9.352 7.286 1.00 0.00 H new ATOM 0 HG2 LYS A 67 0.238 -10.845 5.375 1.00 0.00 H new ATOM 0 HG3 LYS A 67 1.015 -9.721 4.278 1.00 0.00 H new ATOM 0 HD2 LYS A 67 3.177 -10.030 5.438 1.00 0.00 H new ATOM 0 HD3 LYS A 67 2.419 -11.076 6.622 1.00 0.00 H new ATOM 0 HE2 LYS A 67 3.520 -12.501 5.007 1.00 0.00 H new ATOM 0 HE3 LYS A 67 1.794 -12.665 4.751 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 3.034 -12.405 2.696 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 1.917 -11.146 2.920 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 3.570 -10.874 3.199 1.00 0.00 H new ATOM 656 N VAL A 68 -0.740 -6.120 7.110 1.00 0.00 N ATOM 657 CA VAL A 68 -1.170 -5.040 8.010 1.00 0.00 C ATOM 658 C VAL A 68 -0.760 -5.110 9.490 1.00 0.00 C ATOM 659 O VAL A 68 -0.020 -4.260 9.970 1.00 0.00 O ATOM 660 CB VAL A 68 -2.630 -4.660 7.740 1.00 0.00 C ATOM 661 CG1 VAL A 68 -3.680 -5.660 8.230 1.00 0.00 C ATOM 662 CG2 VAL A 68 -2.930 -3.280 8.310 1.00 0.00 C ATOM 0 H VAL A 68 -0.137 -5.756 6.373 1.00 0.00 H new ATOM 0 HA VAL A 68 -0.543 -4.192 7.732 1.00 0.00 H new ATOM 0 HB VAL A 68 -2.717 -4.666 6.653 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -4.676 -5.290 7.986 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -3.521 -6.622 7.743 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -3.592 -5.781 9.310 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -3.970 -3.023 8.111 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -2.757 -3.285 9.386 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -2.278 -2.543 7.841 1.00 0.00 H new ATOM 664 N GLY A 69 -1.350 -6.060 10.220 1.00 0.00 N ATOM 665 CA GLY A 69 -1.210 -6.210 11.670 1.00 0.00 C ATOM 666 C GLY A 69 -2.540 -6.000 12.390 1.00 0.00 C ATOM 667 O GLY A 69 -3.530 -6.670 12.100 1.00 0.00 O ATOM 0 H GLY A 69 -1.957 -6.767 9.805 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -0.826 -7.204 11.898 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -0.478 -5.493 12.041 1.00 0.00 H new ATOM 669 N SER A 70 -2.610 -4.900 13.140 1.00 0.00 N ATOM 670 CA SER A 70 -3.720 -4.620 14.060 1.00 0.00 C ATOM 671 C SER A 70 -5.080 -4.210 13.480 1.00 0.00 C ATOM 672 O SER A 70 -6.060 -4.490 14.170 1.00 0.00 O ATOM 673 CB SER A 70 -3.330 -3.640 15.170 1.00 0.00 C ATOM 674 OG SER A 70 -3.190 -2.310 14.670 1.00 0.00 O ATOM 0 H SER A 70 -1.896 -4.172 13.128 1.00 0.00 H new ATOM 0 HA SER A 70 -3.894 -5.623 14.451 1.00 0.00 H new ATOM 0 HB2 SER A 70 -4.087 -3.657 15.954 1.00 0.00 H new ATOM 0 HB3 SER A 70 -2.392 -3.959 15.625 1.00 0.00 H new ATOM 0 HG SER A 70 -2.379 -2.250 14.123 1.00 0.00 H new ATOM 677 N PRO A 71 -5.210 -3.530 12.340 1.00 0.00 N ATOM 678 CA PRO A 71 -6.520 -3.230 11.760 1.00 0.00 C ATOM 679 C PRO A 71 -7.360 -4.490 11.500 1.00 0.00 C ATOM 680 O PRO A 71 -7.090 -5.290 10.610 1.00 0.00 O ATOM 681 CB PRO A 71 -6.250 -2.440 10.480 1.00 0.00 C ATOM 682 CG PRO A 71 -5.000 -1.650 10.900 1.00 0.00 C ATOM 683 CD PRO A 71 -4.200 -2.690 11.680 1.00 0.00 C ATOM 0 HA PRO A 71 -7.121 -2.648 12.459 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -6.063 -3.088 9.624 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -7.082 -1.789 10.211 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -4.448 -1.276 10.038 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -5.253 -0.787 11.516 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -3.568 -3.280 11.017 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -3.543 -2.217 12.409 1.00 0.00 H new ATOM 684 N SER A 72 -8.390 -4.570 12.330 1.00 0.00 N ATOM 685 CA SER A 72 -9.450 -5.590 12.370 1.00 0.00 C ATOM 686 C SER A 72 -10.000 -5.980 10.990 1.00 0.00 C ATOM 687 O SER A 72 -10.500 -7.090 10.790 1.00 0.00 O ATOM 688 CB SER A 72 -10.610 -5.020 13.190 1.00 0.00 C ATOM 689 OG SER A 72 -10.110 -4.350 14.350 1.00 0.00 O ATOM 0 H SER A 72 -8.525 -3.868 13.057 1.00 0.00 H new ATOM 0 HA SER A 72 -9.012 -6.489 12.802 1.00 0.00 H new ATOM 0 HB2 SER A 72 -11.189 -4.326 12.581 1.00 0.00 H new ATOM 0 HB3 SER A 72 -11.285 -5.823 13.487 1.00 0.00 H new ATOM 0 HG SER A 72 -10.860 -3.987 14.867 1.00 0.00 H new ATOM 692 N SER A 73 -9.970 -5.000 10.090 1.00 0.00 N ATOM 693 CA SER A 73 -10.260 -5.130 8.660 1.00 0.00 C ATOM 694 C SER A 73 -9.540 -6.260 7.920 1.00 0.00 C ATOM 695 O SER A 73 -9.930 -6.590 6.800 1.00 0.00 O ATOM 696 CB SER A 73 -9.910 -3.800 7.980 1.00 0.00 C ATOM 697 OG SER A 73 -10.610 -2.760 8.670 1.00 0.00 O ATOM 0 H SER A 73 -9.731 -4.043 10.350 1.00 0.00 H new ATOM 0 HA SER A 73 -11.318 -5.387 8.602 1.00 0.00 H new ATOM 0 HB2 SER A 73 -8.835 -3.625 8.014 1.00 0.00 H new ATOM 0 HB3 SER A 73 -10.197 -3.821 6.929 1.00 0.00 H new ATOM 0 HG SER A 73 -11.571 -2.843 8.498 1.00 0.00 H new ATOM 700 N ARG A 74 -8.400 -6.680 8.470 1.00 0.00 N ATOM 701 CA ARG A 74 -7.540 -7.780 8.030 1.00 0.00 C ATOM 702 C ARG A 74 -6.700 -7.530 6.780 1.00 0.00 C ATOM 703 O ARG A 74 -5.540 -7.950 6.720 1.00 0.00 O ATOM 704 CB ARG A 74 -8.310 -9.110 7.950 1.00 0.00 C ATOM 705 CG ARG A 74 -8.490 -9.670 9.360 1.00 0.00 C ATOM 706 CD ARG A 74 -9.550 -10.780 9.430 1.00 0.00 C ATOM 707 NE ARG A 74 -10.890 -10.200 9.580 1.00 0.00 N ATOM 708 CZ ARG A 74 -11.980 -10.540 8.890 1.00 0.00 C ATOM 709 NH1 ARG A 74 -11.910 -11.240 7.750 1.00 0.00 N ATOM 710 NH2 ARG A 74 -13.170 -10.030 9.230 1.00 0.00 N ATOM 0 H ARG A 74 -8.024 -6.223 9.301 1.00 0.00 H new ATOM 0 HA ARG A 74 -6.794 -7.851 8.821 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -9.281 -8.954 7.481 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -7.766 -9.822 7.329 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -7.537 -10.062 9.715 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -8.773 -8.861 10.034 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -9.509 -11.388 8.526 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -9.337 -11.442 10.269 1.00 0.00 H new ATOM 0 HE ARG A 74 -10.998 -9.466 10.280 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -11.003 -11.530 7.384 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -12.764 -11.483 7.248 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -13.242 -9.383 10.015 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -14.005 -10.288 8.704 1.00 0.00 H new ATOM 717 N ILE A 75 -7.260 -6.740 5.870 1.00 0.00 N ATOM 718 CA ILE A 75 -6.660 -6.300 4.590 1.00 0.00 C ATOM 719 C ILE A 75 -6.280 -7.480 3.700 1.00 0.00 C ATOM 720 O ILE A 75 -7.120 -7.940 2.930 1.00 0.00 O ATOM 721 CB ILE A 75 -5.630 -5.190 4.750 1.00 0.00 C ATOM 722 CG1 ILE A 75 -6.270 -3.880 5.210 1.00 0.00 C ATOM 723 CG2 ILE A 75 -4.870 -4.860 3.470 1.00 0.00 C ATOM 724 CD1 ILE A 75 -6.470 -3.760 6.730 1.00 0.00 C ATOM 0 H ILE A 75 -8.198 -6.362 6.002 1.00 0.00 H new ATOM 0 HA ILE A 75 -7.434 -5.792 4.015 1.00 0.00 H new ATOM 0 HB ILE A 75 -4.940 -5.588 5.494 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -5.649 -3.050 4.873 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -7.238 -3.773 4.721 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -4.156 -4.060 3.667 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -4.337 -5.746 3.125 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -5.573 -4.538 2.702 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -6.929 -2.799 6.962 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -7.118 -4.565 7.076 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -5.504 -3.831 7.231 1.00 0.00 H new ATOM 726 N ASP A 76 -5.090 -8.050 3.930 1.00 0.00 N ATOM 727 CA ASP A 76 -4.460 -9.160 3.210 1.00 0.00 C ATOM 728 C ASP A 76 -4.230 -9.000 1.710 1.00 0.00 C ATOM 729 O ASP A 76 -3.130 -9.230 1.210 1.00 0.00 O ATOM 730 CB ASP A 76 -5.040 -10.530 3.580 1.00 0.00 C ATOM 731 CG ASP A 76 -6.570 -10.640 3.480 1.00 0.00 C ATOM 732 OD1 ASP A 76 -7.040 -10.920 2.360 1.00 0.00 O ATOM 733 OD2 ASP A 76 -7.220 -10.460 4.530 1.00 0.00 O ATOM 0 H ASP A 76 -4.495 -7.717 4.689 1.00 0.00 H new ATOM 0 HA ASP A 76 -3.442 -9.112 3.597 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -4.594 -11.283 2.930 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -4.740 -10.771 4.600 1.00 0.00 H new ATOM 735 N ARG A 77 -5.220 -8.430 1.020 1.00 0.00 N ATOM 736 CA ARG A 77 -5.200 -8.210 -0.430 1.00 0.00 C ATOM 737 C ARG A 77 -5.090 -6.720 -0.760 1.00 0.00 C ATOM 738 O ARG A 77 -6.040 -5.940 -0.690 1.00 0.00 O ATOM 739 CB ARG A 77 -6.470 -8.810 -1.050 1.00 0.00 C ATOM 740 CG ARG A 77 -6.350 -8.850 -2.570 1.00 0.00 C ATOM 741 CD ARG A 77 -7.720 -9.090 -3.220 1.00 0.00 C ATOM 742 NE ARG A 77 -7.530 -9.110 -4.680 1.00 0.00 N ATOM 743 CZ ARG A 77 -7.960 -8.170 -5.540 1.00 0.00 C ATOM 744 NH1 ARG A 77 -8.650 -7.090 -5.140 1.00 0.00 N ATOM 745 NH2 ARG A 77 -7.770 -8.350 -6.850 1.00 0.00 N ATOM 0 H ARG A 77 -6.078 -8.101 1.463 1.00 0.00 H new ATOM 0 HA ARG A 77 -4.324 -8.703 -0.851 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -6.630 -9.817 -0.665 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -7.338 -8.217 -0.763 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -5.931 -7.911 -2.931 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -5.660 -9.641 -2.864 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -8.145 -10.033 -2.877 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -8.420 -8.304 -2.937 1.00 0.00 H new ATOM 0 HE ARG A 77 -7.028 -9.906 -5.073 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -8.866 -6.960 -4.152 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -8.958 -6.400 -5.824 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -7.304 -9.192 -7.187 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -8.091 -7.645 -7.514 1.00 0.00 H new ATOM 752 N THR A 78 -3.860 -6.360 -1.110 1.00 0.00 N ATOM 753 CA THR A 78 -3.560 -5.020 -1.630 1.00 0.00 C ATOM 754 C THR A 78 -3.010 -5.080 -3.060 1.00 0.00 C ATOM 755 O THR A 78 -2.000 -5.730 -3.370 1.00 0.00 O ATOM 756 CB THR A 78 -2.710 -4.230 -0.640 1.00 0.00 C ATOM 757 OG1 THR A 78 -3.600 -3.960 0.450 1.00 0.00 O ATOM 758 CG2 THR A 78 -2.140 -2.910 -1.160 1.00 0.00 C ATOM 0 H THR A 78 -3.049 -6.975 -1.045 1.00 0.00 H new ATOM 0 HA THR A 78 -4.487 -4.455 -1.722 1.00 0.00 H new ATOM 0 HB THR A 78 -1.826 -4.816 -0.389 1.00 0.00 H new ATOM 0 HG1 THR A 78 -3.081 -3.826 1.271 1.00 0.00 H new ATOM 0 HG21 THR A 78 -1.553 -2.433 -0.375 1.00 0.00 H new ATOM 0 HG22 THR A 78 -1.502 -3.104 -2.023 1.00 0.00 H new ATOM 0 HG23 THR A 78 -2.957 -2.251 -1.454 1.00 0.00 H new ATOM 761 N ASN A 79 -3.680 -4.280 -3.870 1.00 0.00 N ATOM 762 CA ASN A 79 -3.510 -4.210 -5.330 1.00 0.00 C ATOM 763 C ASN A 79 -2.320 -3.310 -5.700 1.00 0.00 C ATOM 764 O ASN A 79 -2.450 -2.100 -5.860 1.00 0.00 O ATOM 765 CB ASN A 79 -4.830 -3.730 -5.940 1.00 0.00 C ATOM 766 CG ASN A 79 -5.890 -4.830 -5.870 1.00 0.00 C ATOM 767 OD1 ASN A 79 -6.420 -5.270 -6.890 1.00 0.00 O ATOM 768 ND2 ASN A 79 -6.300 -5.250 -4.680 1.00 0.00 N ATOM 0 H ASN A 79 -4.388 -3.631 -3.526 1.00 0.00 H new ATOM 0 HA ASN A 79 -3.275 -5.193 -5.738 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -5.181 -2.845 -5.409 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -4.671 -3.437 -6.978 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -7.052 -5.936 -4.612 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -5.863 -4.887 -3.833 1.00 0.00 H new ATOM 772 N PHE A 80 -1.160 -3.950 -5.650 1.00 0.00 N ATOM 773 CA PHE A 80 0.160 -3.410 -6.010 1.00 0.00 C ATOM 774 C PHE A 80 0.340 -3.230 -7.520 1.00 0.00 C ATOM 775 O PHE A 80 1.450 -3.160 -8.050 1.00 0.00 O ATOM 776 CB PHE A 80 1.220 -4.370 -5.470 1.00 0.00 C ATOM 777 CG PHE A 80 1.200 -4.560 -3.950 1.00 0.00 C ATOM 778 CD1 PHE A 80 1.310 -3.460 -3.100 1.00 0.00 C ATOM 779 CD2 PHE A 80 1.110 -5.850 -3.440 1.00 0.00 C ATOM 780 CE1 PHE A 80 1.330 -3.660 -1.720 1.00 0.00 C ATOM 781 CE2 PHE A 80 1.120 -6.050 -2.060 1.00 0.00 C ATOM 782 CZ PHE A 80 1.220 -4.950 -1.220 1.00 0.00 C ATOM 0 H PHE A 80 -1.103 -4.920 -5.339 1.00 0.00 H new ATOM 0 HA PHE A 80 0.258 -2.417 -5.571 1.00 0.00 H new ATOM 0 HB2 PHE A 80 1.086 -5.342 -5.945 1.00 0.00 H new ATOM 0 HB3 PHE A 80 2.204 -4.005 -5.763 1.00 0.00 H new ATOM 0 HD1 PHE A 80 1.379 -2.462 -3.507 1.00 0.00 H new ATOM 0 HD2 PHE A 80 1.033 -6.694 -4.110 1.00 0.00 H new ATOM 0 HE1 PHE A 80 1.430 -2.821 -1.048 1.00 0.00 H new ATOM 0 HE2 PHE A 80 1.051 -7.047 -1.651 1.00 0.00 H new ATOM 0 HZ PHE A 80 1.212 -5.101 -0.151 1.00 0.00 H new ATOM 784 N SER A 81 -0.760 -2.810 -8.130 1.00 0.00 N ATOM 785 CA SER A 81 -1.050 -2.860 -9.580 1.00 0.00 C ATOM 786 C SER A 81 -0.080 -2.100 -10.480 1.00 0.00 C ATOM 787 O SER A 81 0.210 -2.520 -11.600 1.00 0.00 O ATOM 788 CB SER A 81 -2.470 -2.330 -9.800 1.00 0.00 C ATOM 789 OG SER A 81 -3.340 -3.020 -8.900 1.00 0.00 O ATOM 0 H SER A 81 -1.530 -2.397 -7.604 1.00 0.00 H new ATOM 0 HA SER A 81 -0.936 -3.904 -9.873 1.00 0.00 H new ATOM 0 HB2 SER A 81 -2.509 -1.256 -9.620 1.00 0.00 H new ATOM 0 HB3 SER A 81 -2.782 -2.492 -10.832 1.00 0.00 H new ATOM 0 HG SER A 81 -3.864 -2.369 -8.388 1.00 0.00 H new ATOM 792 N ASN A 82 0.390 -0.960 -9.980 1.00 0.00 N ATOM 793 CA ASN A 82 1.380 -0.150 -10.710 1.00 0.00 C ATOM 794 C ASN A 82 2.700 -0.070 -9.940 1.00 0.00 C ATOM 795 O ASN A 82 2.860 0.730 -9.020 1.00 0.00 O ATOM 796 CB ASN A 82 0.780 1.220 -11.040 1.00 0.00 C ATOM 797 CG ASN A 82 1.740 2.060 -11.890 1.00 0.00 C ATOM 798 OD1 ASN A 82 2.390 2.980 -11.410 1.00 0.00 O ATOM 799 ND2 ASN A 82 1.910 1.700 -13.160 1.00 0.00 N ATOM 0 H ASN A 82 0.108 -0.573 -9.080 1.00 0.00 H new ATOM 0 HA ASN A 82 1.624 -0.630 -11.658 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -0.161 1.088 -11.574 1.00 0.00 H new ATOM 0 HB3 ASN A 82 0.550 1.751 -10.116 1.00 0.00 H new ATOM 0 HD21 ASN A 82 2.587 2.192 -13.743 1.00 0.00 H new ATOM 0 HD22 ASN A 82 1.363 0.932 -13.550 1.00 0.00 H new ATOM 803 N GLU A 83 3.540 -1.060 -10.220 1.00 0.00 N ATOM 804 CA GLU A 83 4.930 -1.050 -9.760 1.00 0.00 C ATOM 805 C GLU A 83 5.850 -0.440 -10.820 1.00 0.00 C ATOM 806 O GLU A 83 6.100 -0.990 -11.900 1.00 0.00 O ATOM 807 CB GLU A 83 5.370 -2.440 -9.280 1.00 0.00 C ATOM 808 CG GLU A 83 6.610 -2.340 -8.390 1.00 0.00 C ATOM 809 CD GLU A 83 6.910 -3.650 -7.660 1.00 0.00 C ATOM 810 OE1 GLU A 83 6.090 -4.020 -6.790 1.00 0.00 O ATOM 811 OE2 GLU A 83 7.980 -4.230 -7.960 1.00 0.00 O ATOM 0 H GLU A 83 3.285 -1.884 -10.765 1.00 0.00 H new ATOM 0 HA GLU A 83 5.007 -0.403 -8.886 1.00 0.00 H new ATOM 0 HB2 GLU A 83 4.558 -2.913 -8.728 1.00 0.00 H new ATOM 0 HB3 GLU A 83 5.584 -3.076 -10.139 1.00 0.00 H new ATOM 0 HG2 GLU A 83 7.470 -2.061 -8.999 1.00 0.00 H new ATOM 0 HG3 GLU A 83 6.466 -1.544 -7.659 1.00 0.00 H new ATOM 813 N LYS A 84 6.190 0.800 -10.510 1.00 0.00 N ATOM 814 CA LYS A 84 6.950 1.750 -11.330 1.00 0.00 C ATOM 815 C LYS A 84 8.350 1.950 -10.750 1.00 0.00 C ATOM 816 O LYS A 84 8.520 2.300 -9.580 1.00 0.00 O ATOM 817 CB LYS A 84 6.170 3.070 -11.330 1.00 0.00 C ATOM 818 CG LYS A 84 6.670 4.060 -12.380 1.00 0.00 C ATOM 819 CD LYS A 84 5.990 5.430 -12.250 1.00 0.00 C ATOM 820 CE LYS A 84 4.490 5.410 -12.540 1.00 0.00 C ATOM 821 NZ LYS A 84 3.930 6.750 -12.350 1.00 0.00 N ATOM 0 H LYS A 84 5.926 1.207 -9.613 1.00 0.00 H new ATOM 0 HA LYS A 84 7.070 1.377 -12.347 1.00 0.00 H new ATOM 0 HB2 LYS A 84 5.115 2.862 -11.508 1.00 0.00 H new ATOM 0 HB3 LYS A 84 6.242 3.528 -10.344 1.00 0.00 H new ATOM 0 HG2 LYS A 84 7.749 4.180 -12.280 1.00 0.00 H new ATOM 0 HG3 LYS A 84 6.485 3.657 -13.376 1.00 0.00 H new ATOM 0 HD2 LYS A 84 6.149 5.809 -11.240 1.00 0.00 H new ATOM 0 HD3 LYS A 84 6.472 6.130 -12.933 1.00 0.00 H new ATOM 0 HE2 LYS A 84 4.312 5.073 -13.561 1.00 0.00 H new ATOM 0 HE3 LYS A 84 3.992 4.701 -11.879 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 2.909 6.731 -12.549 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 4.086 7.056 -11.368 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 4.396 7.416 -12.998 1.00 0.00 H new ATOM 826 N THR A 85 9.340 1.620 -11.570 1.00 0.00 N ATOM 827 CA THR A 85 10.760 1.840 -11.250 1.00 0.00 C ATOM 828 C THR A 85 11.200 3.270 -11.560 1.00 0.00 C ATOM 829 O THR A 85 11.680 3.620 -12.640 1.00 0.00 O ATOM 830 CB THR A 85 11.680 0.820 -11.940 1.00 0.00 C ATOM 831 OG1 THR A 85 11.390 0.770 -13.340 1.00 0.00 O ATOM 832 CG2 THR A 85 11.600 -0.560 -11.290 1.00 0.00 C ATOM 0 H THR A 85 9.188 1.190 -12.482 1.00 0.00 H new ATOM 0 HA THR A 85 10.857 1.688 -10.175 1.00 0.00 H new ATOM 0 HB THR A 85 12.711 1.152 -11.814 1.00 0.00 H new ATOM 0 HG1 THR A 85 11.408 1.677 -13.710 1.00 0.00 H new ATOM 0 HG21 THR A 85 12.267 -1.247 -11.811 1.00 0.00 H new ATOM 0 HG22 THR A 85 11.899 -0.488 -10.244 1.00 0.00 H new ATOM 0 HG23 THR A 85 10.577 -0.932 -11.350 1.00 0.00 H new ATOM 835 N ILE A 86 11.070 4.050 -10.500 1.00 0.00 N ATOM 836 CA ILE A 86 11.260 5.510 -10.500 1.00 0.00 C ATOM 837 C ILE A 86 12.730 5.950 -10.430 1.00 0.00 C ATOM 838 O ILE A 86 13.560 5.390 -9.710 1.00 0.00 O ATOM 839 CB ILE A 86 10.460 6.220 -9.410 1.00 0.00 C ATOM 840 CG1 ILE A 86 10.740 5.670 -8.010 1.00 0.00 C ATOM 841 CG2 ILE A 86 8.970 6.200 -9.770 1.00 0.00 C ATOM 842 CD1 ILE A 86 10.370 6.650 -6.890 1.00 0.00 C ATOM 0 H ILE A 86 10.822 3.683 -9.581 1.00 0.00 H new ATOM 0 HA ILE A 86 10.871 5.817 -11.471 1.00 0.00 H new ATOM 0 HB ILE A 86 10.789 7.258 -9.368 1.00 0.00 H new ATOM 0 HG12 ILE A 86 10.182 4.744 -7.872 1.00 0.00 H new ATOM 0 HG13 ILE A 86 11.798 5.420 -7.930 1.00 0.00 H new ATOM 0 HG21 ILE A 86 8.401 6.707 -8.991 1.00 0.00 H new ATOM 0 HG22 ILE A 86 8.819 6.711 -10.721 1.00 0.00 H new ATOM 0 HG23 ILE A 86 8.630 5.168 -9.854 1.00 0.00 H new ATOM 0 HD11 ILE A 86 10.593 6.199 -5.923 1.00 0.00 H new ATOM 0 HD12 ILE A 86 10.947 7.568 -7.004 1.00 0.00 H new ATOM 0 HD13 ILE A 86 9.306 6.881 -6.946 1.00 0.00 H new ATOM 844 N SER A 87 12.990 6.990 -11.200 1.00 0.00 N ATOM 845 CA SER A 87 14.270 7.720 -11.190 1.00 0.00 C ATOM 846 C SER A 87 14.410 8.580 -9.930 1.00 0.00 C ATOM 847 O SER A 87 13.910 9.700 -9.850 1.00 0.00 O ATOM 848 CB SER A 87 14.420 8.560 -12.450 1.00 0.00 C ATOM 849 OG SER A 87 14.350 7.680 -13.580 1.00 0.00 O ATOM 0 H SER A 87 12.315 7.367 -11.865 1.00 0.00 H new ATOM 0 HA SER A 87 15.076 6.986 -11.175 1.00 0.00 H new ATOM 0 HB2 SER A 87 13.632 9.312 -12.503 1.00 0.00 H new ATOM 0 HB3 SER A 87 15.370 9.094 -12.441 1.00 0.00 H new ATOM 0 HG SER A 87 14.443 8.200 -14.406 1.00 0.00 H new ATOM 852 N LYS A 88 14.940 7.900 -8.910 1.00 0.00 N ATOM 853 CA LYS A 88 15.220 8.420 -7.570 1.00 0.00 C ATOM 854 C LYS A 88 13.950 8.630 -6.750 1.00 0.00 C ATOM 855 O LYS A 88 12.840 8.710 -7.290 1.00 0.00 O ATOM 856 CB LYS A 88 16.060 9.700 -7.580 1.00 0.00 C ATOM 857 CG LYS A 88 17.440 9.530 -8.220 1.00 0.00 C ATOM 858 CD LYS A 88 18.370 8.630 -7.400 1.00 0.00 C ATOM 859 CE LYS A 88 19.710 8.390 -8.100 1.00 0.00 C ATOM 860 NZ LYS A 88 20.480 9.640 -8.240 1.00 0.00 N ATOM 0 H LYS A 88 15.199 6.918 -9.003 1.00 0.00 H new ATOM 0 HA LYS A 88 15.815 7.644 -7.088 1.00 0.00 H new ATOM 0 HB2 LYS A 88 15.515 10.477 -8.116 1.00 0.00 H new ATOM 0 HB3 LYS A 88 16.186 10.049 -6.555 1.00 0.00 H new ATOM 0 HG2 LYS A 88 17.323 9.109 -9.219 1.00 0.00 H new ATOM 0 HG3 LYS A 88 17.903 10.510 -8.339 1.00 0.00 H new ATOM 0 HD2 LYS A 88 18.548 9.086 -6.426 1.00 0.00 H new ATOM 0 HD3 LYS A 88 17.880 7.673 -7.219 1.00 0.00 H new ATOM 0 HE2 LYS A 88 20.293 7.664 -7.533 1.00 0.00 H new ATOM 0 HE3 LYS A 88 19.534 7.958 -9.085 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 21.422 9.426 -8.625 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 19.981 10.285 -8.885 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 20.581 10.092 -7.309 1.00 0.00 H new ATOM 865 N LEU A 89 14.100 8.620 -5.420 1.00 0.00 N ATOM 866 CA LEU A 89 12.980 8.810 -4.500 1.00 0.00 C ATOM 867 C LEU A 89 12.550 10.280 -4.450 1.00 0.00 C ATOM 868 O LEU A 89 13.210 11.130 -3.860 1.00 0.00 O ATOM 869 CB LEU A 89 13.300 8.270 -3.110 1.00 0.00 C ATOM 870 CG LEU A 89 13.590 6.760 -3.100 1.00 0.00 C ATOM 871 CD1 LEU A 89 14.060 6.350 -1.710 1.00 0.00 C ATOM 872 CD2 LEU A 89 12.380 5.920 -3.530 1.00 0.00 C ATOM 0 H LEU A 89 14.998 8.480 -4.956 1.00 0.00 H new ATOM 0 HA LEU A 89 12.137 8.234 -4.881 1.00 0.00 H new ATOM 0 HB2 LEU A 89 14.163 8.802 -2.710 1.00 0.00 H new ATOM 0 HB3 LEU A 89 12.462 8.477 -2.445 1.00 0.00 H new ATOM 0 HG LEU A 89 14.373 6.566 -3.833 1.00 0.00 H new ATOM 0 HD11 LEU A 89 14.267 5.280 -1.697 1.00 0.00 H new ATOM 0 HD12 LEU A 89 14.967 6.898 -1.456 1.00 0.00 H new ATOM 0 HD13 LEU A 89 13.282 6.578 -0.981 1.00 0.00 H new ATOM 0 HD21 LEU A 89 12.643 4.863 -3.504 1.00 0.00 H new ATOM 0 HD22 LEU A 89 11.549 6.104 -2.849 1.00 0.00 H new ATOM 0 HD23 LEU A 89 12.087 6.196 -4.543 1.00 0.00 H new ATOM 874 N GLU A 90 11.360 10.510 -4.990 1.00 0.00 N ATOM 875 CA GLU A 90 10.880 11.840 -5.400 1.00 0.00 C ATOM 876 C GLU A 90 10.200 12.670 -4.310 1.00 0.00 C ATOM 877 O GLU A 90 9.610 13.720 -4.590 1.00 0.00 O ATOM 878 CB GLU A 90 9.940 11.670 -6.590 1.00 0.00 C ATOM 879 CG GLU A 90 10.660 11.120 -7.820 1.00 0.00 C ATOM 880 CD GLU A 90 9.680 10.790 -8.950 1.00 0.00 C ATOM 881 OE1 GLU A 90 9.100 9.680 -8.890 1.00 0.00 O ATOM 882 OE2 GLU A 90 9.480 11.680 -9.810 1.00 0.00 O ATOM 0 H GLU A 90 10.682 9.768 -5.162 1.00 0.00 H new ATOM 0 HA GLU A 90 11.771 12.413 -5.656 1.00 0.00 H new ATOM 0 HB2 GLU A 90 9.127 10.997 -6.316 1.00 0.00 H new ATOM 0 HB3 GLU A 90 9.489 12.632 -6.835 1.00 0.00 H new ATOM 0 HG2 GLU A 90 11.389 11.850 -8.172 1.00 0.00 H new ATOM 0 HG3 GLU A 90 11.215 10.223 -7.546 1.00 0.00 H new ATOM 884 N TYR A 91 10.350 12.250 -3.060 1.00 0.00 N ATOM 885 CA TYR A 91 9.730 12.890 -1.890 1.00 0.00 C ATOM 886 C TYR A 91 10.600 12.750 -0.640 1.00 0.00 C ATOM 887 O TYR A 91 11.430 11.840 -0.540 1.00 0.00 O ATOM 888 CB TYR A 91 8.340 12.330 -1.600 1.00 0.00 C ATOM 889 CG TYR A 91 7.300 12.710 -2.650 1.00 0.00 C ATOM 890 CD1 TYR A 91 6.720 13.980 -2.590 1.00 0.00 C ATOM 891 CD2 TYR A 91 7.000 11.800 -3.650 1.00 0.00 C ATOM 892 CE1 TYR A 91 5.820 14.350 -3.580 1.00 0.00 C ATOM 893 CE2 TYR A 91 6.100 12.170 -4.650 1.00 0.00 C ATOM 894 CZ TYR A 91 5.530 13.440 -4.590 1.00 0.00 C ATOM 895 OH TYR A 91 4.720 13.830 -5.620 1.00 0.00 O ATOM 0 H TYR A 91 10.917 11.437 -2.818 1.00 0.00 H new ATOM 0 HA TYR A 91 9.636 13.947 -2.140 1.00 0.00 H new ATOM 0 HB2 TYR A 91 8.401 11.244 -1.537 1.00 0.00 H new ATOM 0 HB3 TYR A 91 8.009 12.688 -0.625 1.00 0.00 H new ATOM 0 HD1 TYR A 91 6.967 14.661 -1.789 1.00 0.00 H new ATOM 0 HD2 TYR A 91 7.455 10.821 -3.656 1.00 0.00 H new ATOM 0 HE1 TYR A 91 5.355 15.325 -3.566 1.00 0.00 H new ATOM 0 HE2 TYR A 91 5.851 11.489 -5.451 1.00 0.00 H new ATOM 0 HH TYR A 91 4.610 13.087 -6.249 1.00 0.00 H new ATOM 898 N SER A 92 10.400 13.690 0.280 1.00 0.00 N ATOM 899 CA SER A 92 11.030 13.700 1.610 1.00 0.00 C ATOM 900 C SER A 92 10.540 12.590 2.540 1.00 0.00 C ATOM 901 O SER A 92 11.320 11.990 3.270 1.00 0.00 O ATOM 902 CB SER A 92 10.760 15.060 2.260 1.00 0.00 C ATOM 903 OG SER A 92 9.360 15.340 2.170 1.00 0.00 O ATOM 0 H SER A 92 9.783 14.487 0.124 1.00 0.00 H new ATOM 0 HA SER A 92 12.095 13.521 1.461 1.00 0.00 H new ATOM 0 HB2 SER A 92 11.077 15.050 3.303 1.00 0.00 H new ATOM 0 HB3 SER A 92 11.334 15.839 1.759 1.00 0.00 H new ATOM 0 HG SER A 92 9.173 16.208 2.584 1.00 0.00 H new ATOM 906 N ASN A 93 9.220 12.430 2.590 1.00 0.00 N ATOM 907 CA ASN A 93 8.520 11.370 3.320 1.00 0.00 C ATOM 908 C ASN A 93 7.130 11.120 2.730 1.00 0.00 C ATOM 909 O ASN A 93 6.750 11.720 1.730 1.00 0.00 O ATOM 910 CB ASN A 93 8.480 11.690 4.810 1.00 0.00 C ATOM 911 CG ASN A 93 8.560 10.390 5.600 1.00 0.00 C ATOM 912 OD1 ASN A 93 7.550 9.740 5.880 1.00 0.00 O ATOM 913 ND2 ASN A 93 9.770 9.880 5.800 1.00 0.00 N ATOM 0 H ASN A 93 8.581 13.059 2.104 1.00 0.00 H new ATOM 0 HA ASN A 93 9.073 10.438 3.207 1.00 0.00 H new ATOM 0 HB2 ASN A 93 9.310 12.344 5.077 1.00 0.00 H new ATOM 0 HB3 ASN A 93 7.562 12.224 5.056 1.00 0.00 H new ATOM 0 HD21 ASN A 93 9.870 8.942 6.189 1.00 0.00 H new ATOM 0 HD22 ASN A 93 10.599 10.426 5.565 1.00 0.00 H new ATOM 917 N PHE A 94 6.480 10.070 3.240 1.00 0.00 N ATOM 918 CA PHE A 94 5.130 9.650 2.850 1.00 0.00 C ATOM 919 C PHE A 94 4.080 10.620 3.410 1.00 0.00 C ATOM 920 O PHE A 94 3.690 10.580 4.580 1.00 0.00 O ATOM 921 CB PHE A 94 4.910 8.210 3.310 1.00 0.00 C ATOM 922 CG PHE A 94 3.670 7.560 2.710 1.00 0.00 C ATOM 923 CD1 PHE A 94 3.670 7.200 1.360 1.00 0.00 C ATOM 924 CD2 PHE A 94 2.620 7.210 3.550 1.00 0.00 C ATOM 925 CE1 PHE A 94 2.610 6.460 0.860 1.00 0.00 C ATOM 926 CE2 PHE A 94 1.560 6.460 3.050 1.00 0.00 C ATOM 927 CZ PHE A 94 1.570 6.090 1.710 1.00 0.00 C ATOM 0 H PHE A 94 6.890 9.471 3.957 1.00 0.00 H new ATOM 0 HA PHE A 94 5.022 9.678 1.766 1.00 0.00 H new ATOM 0 HB2 PHE A 94 5.785 7.616 3.046 1.00 0.00 H new ATOM 0 HB3 PHE A 94 4.829 8.193 4.397 1.00 0.00 H new ATOM 0 HD1 PHE A 94 4.485 7.494 0.715 1.00 0.00 H new ATOM 0 HD2 PHE A 94 2.627 7.518 4.585 1.00 0.00 H new ATOM 0 HE1 PHE A 94 2.590 6.172 -0.181 1.00 0.00 H new ATOM 0 HE2 PHE A 94 0.742 6.170 3.693 1.00 0.00 H new ATOM 0 HZ PHE A 94 0.753 5.502 1.319 1.00 0.00 H new ATOM 929 N SER A 95 3.740 11.560 2.530 1.00 0.00 N ATOM 930 CA SER A 95 2.870 12.710 2.820 1.00 0.00 C ATOM 931 C SER A 95 1.440 12.340 3.210 1.00 0.00 C ATOM 932 O SER A 95 0.760 11.550 2.550 1.00 0.00 O ATOM 933 CB SER A 95 2.800 13.670 1.630 1.00 0.00 C ATOM 934 OG SER A 95 4.040 14.370 1.470 1.00 0.00 O ATOM 0 H SER A 95 4.070 11.547 1.565 1.00 0.00 H new ATOM 0 HA SER A 95 3.338 13.186 3.682 1.00 0.00 H new ATOM 0 HB2 SER A 95 2.571 13.114 0.721 1.00 0.00 H new ATOM 0 HB3 SER A 95 1.990 14.384 1.780 1.00 0.00 H new ATOM 0 HG SER A 95 3.976 14.977 0.704 1.00 0.00 H new ATOM 937 N VAL A 96 0.980 13.160 4.150 1.00 0.00 N ATOM 938 CA VAL A 96 -0.360 13.120 4.770 1.00 0.00 C ATOM 939 C VAL A 96 -1.430 13.400 3.720 1.00 0.00 C ATOM 940 O VAL A 96 -1.190 14.130 2.760 1.00 0.00 O ATOM 941 CB VAL A 96 -0.380 14.140 5.910 1.00 0.00 C ATOM 942 CG1 VAL A 96 -1.720 14.270 6.620 1.00 0.00 C ATOM 943 CG2 VAL A 96 0.680 13.830 6.970 1.00 0.00 C ATOM 0 H VAL A 96 1.555 13.914 4.527 1.00 0.00 H new ATOM 0 HA VAL A 96 -0.577 12.133 5.178 1.00 0.00 H new ATOM 0 HB VAL A 96 -0.169 15.086 5.411 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -1.641 15.014 7.412 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -2.482 14.580 5.905 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -1.998 13.308 7.052 1.00 0.00 H new ATOM 0 HG21 VAL A 96 0.632 14.578 7.762 1.00 0.00 H new ATOM 0 HG22 VAL A 96 0.495 12.842 7.392 1.00 0.00 H new ATOM 0 HG23 VAL A 96 1.669 13.849 6.512 1.00 0.00 H new ATOM 945 N ARG A 97 -2.550 12.700 3.870 1.00 0.00 N ATOM 946 CA ARG A 97 -3.770 12.770 3.040 1.00 0.00 C ATOM 947 C ARG A 97 -3.900 13.830 1.950 1.00 0.00 C ATOM 948 O ARG A 97 -3.900 15.040 2.160 1.00 0.00 O ATOM 949 CB ARG A 97 -5.020 12.790 3.910 1.00 0.00 C ATOM 950 CG ARG A 97 -5.130 14.000 4.840 1.00 0.00 C ATOM 951 CD ARG A 97 -6.500 14.030 5.520 1.00 0.00 C ATOM 952 NE ARG A 97 -6.690 15.300 6.230 1.00 0.00 N ATOM 953 CZ ARG A 97 -7.300 16.390 5.750 1.00 0.00 C ATOM 954 NH1 ARG A 97 -7.810 16.450 4.510 1.00 0.00 N ATOM 955 NH2 ARG A 97 -7.450 17.470 6.530 1.00 0.00 N ATOM 0 H ARG A 97 -2.646 12.019 4.623 1.00 0.00 H new ATOM 0 HA ARG A 97 -3.659 11.854 2.459 1.00 0.00 H new ATOM 0 HB2 ARG A 97 -5.897 12.764 3.263 1.00 0.00 H new ATOM 0 HB3 ARG A 97 -5.042 11.882 4.513 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -4.344 13.959 5.594 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -4.979 14.918 4.272 1.00 0.00 H new ATOM 0 HD2 ARG A 97 -7.286 13.901 4.776 1.00 0.00 H new ATOM 0 HD3 ARG A 97 -6.584 13.199 6.220 1.00 0.00 H new ATOM 0 HE ARG A 97 -6.322 15.357 7.180 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -7.741 15.643 3.891 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -8.267 17.303 4.187 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -7.099 17.460 7.488 1.00 0.00 H new ATOM 0 HH22 ARG A 97 -7.915 18.302 6.166 1.00 0.00 H new ATOM 962 N TYR A 98 -4.140 13.290 0.750 1.00 0.00 N ATOM 963 CA TYR A 98 -4.600 14.050 -0.420 1.00 0.00 C ATOM 964 C TYR A 98 -5.910 13.510 -0.990 1.00 0.00 C ATOM 965 O TYR A 98 -6.040 12.270 -1.060 1.00 0.00 O ATOM 966 CB TYR A 98 -3.520 14.050 -1.510 1.00 0.00 C ATOM 967 CG TYR A 98 -2.260 14.820 -1.100 1.00 0.00 C ATOM 968 CD1 TYR A 98 -2.230 16.200 -1.290 1.00 0.00 C ATOM 969 CD2 TYR A 98 -1.190 14.110 -0.580 1.00 0.00 C ATOM 970 CE1 TYR A 98 -1.070 16.890 -0.950 1.00 0.00 C ATOM 971 CE2 TYR A 98 -0.030 14.810 -0.250 1.00 0.00 C ATOM 972 CZ TYR A 98 0.010 16.180 -0.440 1.00 0.00 C ATOM 973 OH TYR A 98 1.160 16.860 -0.160 1.00 0.00 O ATOM 974 OXT TYR A 98 -6.820 14.330 -1.200 1.00 0.00 O ATOM 0 H TYR A 98 -4.018 12.295 0.560 1.00 0.00 H new ATOM 0 HA TYR A 98 -4.786 15.070 -0.084 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -3.250 13.021 -1.747 1.00 0.00 H new ATOM 0 HB3 TYR A 98 -3.929 14.490 -2.420 1.00 0.00 H new ATOM 0 HD1 TYR A 98 -3.086 16.722 -1.691 1.00 0.00 H new ATOM 0 HD2 TYR A 98 -1.253 13.042 -0.434 1.00 0.00 H new ATOM 0 HE1 TYR A 98 -1.010 17.960 -1.081 1.00 0.00 H new ATOM 0 HE2 TYR A 98 0.827 14.289 0.149 1.00 0.00 H new ATOM 0 HH TYR A 98 1.831 16.238 0.191 1.00 0.00 H new